A0A3Q0KC34_SCHMA Loading...

Adenosine kinase AlphaSync

ATP dependent phosphorylation of adenosine and other related nucleoside analogs to monophosphate derivatives.

AlphaFold DB , UniProt , Accession A0A3Q0KC34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.1	Low	91	Very high	169 Å²	169	62.3 Å²	62.3	83%	0.833	31%	0.312	S	S	*	.				0	135.6	0	-80.9	176.9	-170.2	0	0	106.2	D3	M1-D3 PolarHBondContact O-N 3.23Å
2	H	67.5	Low	91.6	Very high	141 Å²	141	57.1 Å²	57.1	65%	0.653	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-60.8	122.1	171.4	-78.9	-73	0	0	0	108.3
3	D	88.5	Confident	92.2	Very high	126 Å²	126	52.7 Å²	52.7	67%	0.674	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-73.4	130.5	172.4	-167.3	15.9	0	0	0	107.9	M1 K79	M1-D3 PolarHBondContact O-N 3.23Å; D3-K79 VanDerWaalsContact OD1-CD 3.25Å; D3-K79 WeakPolarHBondContact OD1-CD 3.48Å; D3-K79 IonicContact OD1-NZ 3.42Å; D3-K79 PolarHBondContact OD1-NZ 2.79Å; D3-K79 IonicContact OD2-NZ 3.76Å; D3-K79 PolarHBondContact OD2-NZ 2.9Å
4	L	97.5	Very high	92.6	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-96.5	140.1	-175.1	-58.9	175.3	0	0	0	108.9	Y8 I77 K79 V82 I313 R314	L4-Y8 HydrophobicContact CB-CD1 4.47Å; L4-Y8 HydrophobicContact CB-CG 4.16Å; L4-Y8 HydrophobicContact CD1-CD1 4.37Å; L4-Y8 HydrophobicContact CD2-CD1 3.88Å; L4-Y8 HydrophobicContact CD2-CD2 4.34Å; L4-Y8 HydrophobicContact CD2-CE1 3.75Å; L4-Y8 HydrophobicContact CD2-CE2 4.23Å; L4-Y8 HydrophobicContact CD2-CG 4.17Å; L4-Y8 HydrophobicContact CG-CD1 4.46Å; L4-I77 HydrophobicContact CD1-CD1 3.84Å; L4-K79 WeakPolarHBondContact O-CD 3.38Å; L4-K79 WeakPolarHBondContact O-CE 3.47Å; L4-K79 PolarHBondContact O-NZ 3.03Å; L4-V82 HydrophobicContact CB-CG1 3.99Å; L4-V82 HydrophobicContact CB-CG2 4.46Å; L4-V82 HydrophobicContact CD1-CG1 4.1Å; L4-I313 HydrophobicContact CD1-CD1 3.82Å; L4-I313 HydrophobicContact CD1-CG1 4.05Å; L4-R314 HydrophobicContact CD1-CG 3.94Å; L4-R314 HydrophobicContact CG-CG 4.4Å
5	S	98.2	Very high	93.1	Very high	59 Å²	59	46.3 Å²	46.3	41%	0.413	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-68.5	164.5	176.1	60.9	0	0	0	0	111.6	Y8	S5-Y8 VanDerWaalsContact O-CB 3.31Å; S5-Y8 WeakPolarHBondContact O-CB 3.25Å; S5-Y8 PolarHBondContact O-N 2.74Å
6	E	98.6	Very high	93.4	Very high	121 Å²	121	44.2 Å²	44.2	57%	0.565	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	141.4	166.9	-63.7	-176	-178.9	0	0	110.3	Y8 F81	E6-Y8 PolarHBondContact O-N 3.34Å; E6-F81 CarbonylContact C-O 3.53Å; E6-F81 VanDerWaalsContact CA-O 3.31Å; E6-F81 WeakPolarHBondContact CA-O 3.47Å; E6-F81 HydrophobicContact CB-CB 4.36Å; E6-F81 HydrophobicContact CG-CB 4.07Å
7	G	98.6	Very high	93.7	Very high	2 Å²	2	42 Å²	42	2%	0.021	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	17.8	-177	0	0	0	0	0	114.9	V9 F81 V82 A161	G7-V9 PolarHBondContact O-N 2.89Å; G7-F81 PolarHBondContact N-O 3.27Å; G7-V82 CarbonylContact C-O 3.5Å; G7-V82 VanDerWaalsContact C-O 3.3Å; G7-V82 WeakPolarHBondContact CA-O 3.45Å; G7-V82 PolarHBondContact N-O 3.4Å; G7-A161 WeakPolarHBondContact O-CA 3.34Å; G7-A161 VanDerWaalsContact O-CB 3.25Å; G7-A161 WeakPolarHBondContact O-CB 3.31Å; G7-A161 PolarHBondContact O-N 3.29Å
8	Y	98.8	Very high	93.9	Very high	59 Å²	59	40.1 Å²	40.1	23%	0.231	20%	0.201	C	C	.	.			trans	-60.3	-34	179.7	-166.8	-90.8	0	0	0	113.1	L4 S5 E6 V82 Q162 V163 I313	L4-Y8 HydrophobicContact CB-CD1 4.47Å; L4-Y8 HydrophobicContact CB-CG 4.16Å; L4-Y8 HydrophobicContact CD1-CD1 4.37Å; L4-Y8 HydrophobicContact CD2-CD1 3.88Å; L4-Y8 HydrophobicContact CD2-CD2 4.34Å; L4-Y8 HydrophobicContact CD2-CE1 3.75Å; L4-Y8 HydrophobicContact CD2-CE2 4.23Å; L4-Y8 HydrophobicContact CD2-CG 4.17Å; L4-Y8 HydrophobicContact CG-CD1 4.46Å; S5-Y8 VanDerWaalsContact O-CB 3.31Å; S5-Y8 WeakPolarHBondContact O-CB 3.25Å; S5-Y8 PolarHBondContact O-N 2.74Å; E6-Y8 PolarHBondContact O-N 3.34Å; Y8-V82 PolarHBondContact N-O 3.13Å; Y8-Q162 HydrophobicContact CD1-CB 4.37Å; Y8-Q162 HydrophobicContact CD2-CB 4.08Å; Y8-Q162 HydrophobicContact CD2-CG 3.8Å; Y8-Q162 HydrophobicContact CE1-CB 3.97Å; Y8-Q162 HydrophobicContact CE2-CB 3.66Å; Y8-Q162 HydrophobicContact CE2-CG 3.46Å; Y8-Q162 VanDerWaalsContact CE2-CG 3.46Å; Y8-Q162 HydrophobicContact CG-CB 4.43Å; Y8-Q162 PolarHBondContact O-N 3.44Å; Y8-V163 HydrophobicContact CD1-CG2 3.97Å; Y8-V163 HydrophobicContact CE1-CG2 3.57Å; Y8-V163 PolarHBondContact O-N 3.04Å; Y8-I313 HydrophobicContact CD1-CD1 4.37Å; Y8-I313 HydrophobicContact CE1-CD1 4.49Å
9	V	98.9	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.4	176.8	-176.9	0	0	0	0	109	G7 I73 V82 C83 S84 V163 I313	G7-V9 PolarHBondContact O-N 2.89Å; V9-I73 HydrophobicContact CG1-CD1 4.33Å; V9-I73 HydrophobicContact CG1-CG2 4.46Å; V9-I73 HydrophobicContact CG2-CG2 4.26Å; V9-V82 HydrophobicContact CG2-CG1 4.47Å; V9-V82 PolarHBondContact N-O 3.34Å; V9-C83 CarbonylContact O-C 3.6Å; V9-C83 VanDerWaalsContact O-CA 3.24Å; V9-C83 WeakPolarHBondContact O-CA 3.34Å; V9-S84 PolarHBondContact O-N 3.27Å; V9-V163 CarbonylContact C-O 3.57Å; V9-V163 WeakPolarHBondContact CA-O 3.31Å; V9-V163 HydrophobicContact CG1-CG1 4.39Å; V9-V163 HydrophobicContact CG2-CB 4.21Å; V9-I313 HydrophobicContact CG2-CD1 3.54Å
10	F	99	Very high	94	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.9	174.5	177.9	-82.2	0	0	0	110.2	M12 S84 V86 L157 V158 A161 V163 Y164 Y165 I181	F10-M12 HydrophobicContact CE1-CB 3.83Å; F10-M12 HydrophobicContact CZ-CB 4.31Å; F10-S84 CarbonylContact C-O 3.58Å; F10-S84 WeakPolarHBondContact CA-O 3.37Å; F10-V86 HydrophobicContact CE2-CB 4.39Å; F10-V86 HydrophobicContact CE2-CG2 3.59Å; F10-V86 HydrophobicContact CZ-CB 3.94Å; F10-V86 HydrophobicContact CZ-CG2 3.59Å; F10-L157 HydrophobicContact CD2-CB 3.9Å; F10-L157 HydrophobicContact CE2-CB 3.92Å; F10-V158 HydrophobicContact CD2-CG2 4.22Å; F10-V158 HydrophobicContact CE1-CG2 4.07Å; F10-V158 HydrophobicContact CE2-CG2 3.73Å; F10-V158 HydrophobicContact CZ-CG2 3.64Å; F10-A161 HydrophobicContact CB-CB 3.53Å; F10-V163 PolarHBondContact N-O 3.01Å; F10-Y164 HydrophobicContact CB-CD1 3.82Å; F10-Y164 HydrophobicContact CB-CE1 4.07Å; F10-Y164 AromaticContact CD1-CD1 3.86Å; F10-Y164 HydrophobicContact CD1-CD1 3.86Å; F10-Y164 HydrophobicContact CD1-CE1 4.37Å; F10-Y164 HydrophobicContact CG-CD1 4.18Å; F10-Y164 HydrophobicContact CG-CE1 4.41Å; F10-Y164 CarbonylContact O-C 3.59Å; F10-Y164 VanDerWaalsContact O-CA 3.24Å; F10-Y164 WeakPolarHBondContact O-CA 3.09Å; F10-Y165 PolarHBondContact O-N 2.97Å; F10-I181 HydrophobicContact CE1-CD1 3.78Å; F10-I181 HydrophobicContact CZ-CD1 4.32Å
11	G	99	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.1	163.3	0	0	0	0	0	112.5	S84 Y85 V86 Y165	G11-S84 PolarHBondContact N-O 3.01Å; G11-Y85 CarbonylContact O-C 3.5Å; G11-Y85 VanDerWaalsContact O-CA 3.27Å; G11-Y85 WeakPolarHBondContact O-CA 3.46Å; G11-V86 PolarHBondContact O-N 3.15Å; G11-Y165 WeakPolarHBondContact CA-O 3.11Å
12	M	98.9	Very high	95.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.2	176.7	-179.4	-174	79.8	0	0	109.8	F10 T66 V86 L144 I149 I166 V170 M178 I181	F10-M12 HydrophobicContact CE1-CB 3.83Å; F10-M12 HydrophobicContact CZ-CB 4.31Å; M12-T66 VanDerWaalsContact O-CG2 3.28Å; M12-T66 WeakPolarHBondContact O-CG2 3.27Å; M12-T66 PolarHBondContact O-OG1 3.07Å; M12-T66 VanDerWaalsContact O-OG1 3.13Å; M12-V86 VanDerWaalsContact CA-O 3.23Å; M12-V86 WeakPolarHBondContact CA-O 3.28Å; M12-V86 HydrophobicContact CB-CB 4.49Å; M12-V86 HydrophobicContact CG-CB 4.27Å; M12-V86 HydrophobicContact CG-CG1 4.34Å; M12-L144 HydrophobicContact CE-CD2 4.45Å; M12-L144 HydrophobicContact CG-CD2 3.7Å; M12-L144 HydrophobicContact SD-CD2 3.95Å; M12-I149 HydrophobicContact CE-CD1 4.27Å; M12-I149 HydrophobicContact SD-CD1 3.35Å; M12-I149 WeakPolarHBondContact SD-CD1 3.37Å; M12-I149 HydrophobicContact SD-CG1 3.96Å; M12-I166 HydrophobicContact CB-CD1 4.19Å; M12-I166 HydrophobicContact CB-CG1 4.41Å; M12-I166 HydrophobicContact CE-CD1 4.19Å; M12-V170 HydrophobicContact CE-CG1 3.62Å; M12-V170 WeakPolarHBondContact O-CG2 3.49Å; M12-M178 HydrophobicContact CE-CB 3.64Å; M12-I181 HydrophobicContact CB-CD1 4.48Å; M12-I181 HydrophobicContact CE-CD1 4.17Å; M12-I181 HydrophobicContact SD-CD1 3.78Å
13	G	98.8	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-142.6	166.1	0	0	0	0	0	115.1	P15 Y85 V86 G87	G13-P15 WeakPolarHBondContact O-CD 3.42Å; G13-Y85 PolarHBondContact O-OH 3.41Å; G13-V86 PolarHBondContact N-O 3.48Å; G13-G87 WeakPolarHBondContact O-CA 3.43Å
14	N	98.8	Very high	97.1	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.053	13%	0.133	C	C	.	.			trans	-99.4	100.1	-169.3	-52.6	-21.4	0	0	0	109	L16 G64 Y85 L138 A141 F169 T173	N14-L16 HydrophobicContact CB-CD1 4.42Å; N14-L16 HydrophobicContact CB-CD2 4.38Å; N14-L16 HydrophobicContact CB-CG 4.25Å; N14-L16 PolarHBondContact O-N 2.8Å; N14-G64 WeakPolarHBondContact O-CA 3.4Å; N14-Y85 PolarHBondContact N-OH 3.46Å; N14-L138 HydrophobicContact CB-CD2 4.41Å; N14-A141 HydrophobicContact CB-CB 3.88Å; N14-F169 PolarHBondContact ND2-O 3.05Å; N14-F169 VanDerWaalsContact ND2-O 3.08Å; N14-T173 WeakPolarHBondContact OD1-CB 3.47Å; N14-T173 VanDerWaalsContact OD1-CG2 3.28Å; N14-T173 WeakPolarHBondContact OD1-CG2 3.34Å; N14-T173 PolarHBondContact OD1-OG1 3.48Å
15	P	98.8	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.			trans	-75	115.9	173.2	29.8	-33.5	0	0	0	109.1	G13 L67 Y85 C88 I89 I98 F111	G13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-L67 HydrophobicContact CB-CD2 4.41Å; P15-Y85 HydrophobicContact CB-CE1 4.28Å; P15-C88 WeakPolarHBondContact CG-O 3.45Å; P15-I89 HydrophobicContact CB-CG2 3.82Å; P15-I89 HydrophobicContact CG-CG2 3.49Å; P15-I89 VanDerWaalsContact CG-CG2 3.49Å; P15-I98 HydrophobicContact CB-CD1 4.37Å; P15-I98 HydrophobicContact CB-CG2 4.13Å; P15-F111 HydrophobicContact CB-CE1 3.87Å; P15-F111 HydrophobicContact CG-CD1 4.29Å; P15-F111 HydrophobicContact CG-CE1 4.03Å
16	L	98.7	Very high	96.7	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152	-174.4	-55.9	175	0	0	0	110.1	N14 G63 G121 V123 T136 L138 A141	N14-L16 HydrophobicContact CB-CD1 4.42Å; N14-L16 HydrophobicContact CB-CD2 4.38Å; N14-L16 HydrophobicContact CB-CG 4.25Å; N14-L16 PolarHBondContact O-N 2.8Å; L16-G63 PolarHBondContact N-O 3.48Å; L16-G63 CarbonylContact O-C 3.6Å; L16-G63 WeakPolarHBondContact O-CA 3.4Å; L16-G63 PolarHBondContact O-N 2.99Å; L16-G121 WeakPolarHBondContact CA-O 3.39Å; L16-V123 HydrophobicContact CB-CG2 4.12Å; L16-V123 HydrophobicContact CD1-CG2 3.77Å; L16-T136 HydrophobicContact CD1-CG2 3.93Å; L16-L138 HydrophobicContact CD2-CD2 4.42Å; L16-A141 HydrophobicContact CD2-CB 4.21Å
17	L	98.5	Very high	96.5	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.1	168.9	-169.8	71.4	0	0	0	110.4	I19 Y60 Q94 Y97 I98 G121 K122 V123	L17-I19 PolarHBondContact O-N 2.92Å; L17-Y60 HydrophobicContact CD2-CD1 3.85Å; L17-Y60 HydrophobicContact CG-CD1 4.41Å; L17-Q94 HydrophobicContact CD2-CB 3.89Å; L17-Q94 HydrophobicContact CD2-CG 3.41Å; L17-Q94 VanDerWaalsContact CD2-CG 3.41Å; L17-Y97 HydrophobicContact CD1-CD1 3.67Å; L17-Y97 HydrophobicContact CD1-CE1 3.96Å; L17-I98 HydrophobicContact CB-CD1 4.5Å; L17-G121 PolarHBondContact N-O 2.77Å; L17-K122 CarbonylContact O-C 3.51Å; L17-K122 VanDerWaalsContact O-CA 3.25Å; L17-K122 WeakPolarHBondContact O-CA 3.31Å; L17-V123 PolarHBondContact O-N 3.05Å
18	D	97.1	Very high	96.4	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.5	173.6	-65.7	-11.5	0	0	0	109.2	Y60 I61 V123 V125	D18-Y60 WeakPolarHBondContact O-CA 3.5Å; D18-I61 HydrophobicContact CB-CB 4.4Å; D18-I61 PolarHBondContact N-O 3.32Å; D18-I61 PolarHBondContact O-N 3.41Å; D18-V123 WeakPolarHBondContact OD1-CB 3.36Å; D18-V123 WeakPolarHBondContact OD1-CG2 3.38Å; D18-V125 HydrophobicContact CB-CG2 4.07Å
19	I	97	Very high	96.2	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	96.7	176.6	-50.6	175.4	0	0	0	107.3	L17 I52 L58 Y60 K122 V123 V125	L17-I19 PolarHBondContact O-N 2.92Å; I19-I52 HydrophobicContact CB-CD1 4.13Å; I19-I52 HydrophobicContact CG2-CD1 3.8Å; I19-I52 HydrophobicContact CG2-CG1 4.4Å; I19-L58 HydrophobicContact CG2-CD2 4.26Å; I19-Y60 HydrophobicContact CB-CE1 4.39Å; I19-Y60 HydrophobicContact CD1-CE1 4.43Å; I19-Y60 HydrophobicContact CG1-CD1 4.06Å; I19-Y60 HydrophobicContact CG1-CE1 3.99Å; I19-Y60 HydrophobicContact CG2-CD1 4.32Å; I19-Y60 HydrophobicContact CG2-CE1 3.81Å; I19-K122 HydrophobicContact CD1-CB 4.2Å; I19-K122 HydrophobicContact CD1-CD 4.25Å; I19-V123 PolarHBondContact N-O 2.72Å; I19-V125 PolarHBondContact O-N 3.38Å
20	I	93.9	Very high	96.1	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.3	-175.8	-56	173.3	0	0	0	109.5	N59 I61 V125 V127	I20-N59 HydrophobicContact CB-CB 4.22Å; I20-N59 PolarHBondContact N-O 3.25Å; I20-N59 PolarHBondContact O-N 2.83Å; I20-N59 VanDerWaalsContact O-N 3.08Å; I20-I61 HydrophobicContact CD1-CD1 3.51Å; I20-I61 HydrophobicContact CD1-CG1 4.08Å; I20-V125 HydrophobicContact CG1-CB 4.02Å; I20-V125 HydrophobicContact CG1-CG1 4.32Å; I20-V125 HydrophobicContact CG1-CG2 4.32Å; I20-V127 HydrophobicContact CG2-CG2 3.79Å
21	V	94.3	Very high	96	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.1	-177.2	65.4	0	0	0	0	111.3	A23 I52 K55 L58 V125 L126 V127	V21-A23 PolarHBondContact O-N 3.45Å; V21-I52 HydrophobicContact CG1-CB 4.06Å; V21-I52 HydrophobicContact CG1-CG2 3.82Å; V21-K55 HydrophobicContact CG2-CB 3.95Å; V21-K55 HydrophobicContact CG2-CD 3.45Å; V21-K55 VanDerWaalsContact CG2-CD 3.45Å; V21-K55 HydrophobicContact CG2-CG 4.26Å; V21-L58 HydrophobicContact CB-CD2 3.57Å; V21-L58 HydrophobicContact CG2-CD2 3.54Å; V21-V125 PolarHBondContact N-O 3.33Å; V21-L126 HydrophobicContact CG1-CG 4.46Å; V21-V127 PolarHBondContact O-N 3.05Å
22	D	92.5	Very high	95.9	Very high	122 Å²	122	43.3 Å²	43.3	65%	0.652	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	113	166	-67.7	-43.7	0	0	0	108.8	K55	D22-K55 PolarHBondContact O-NZ 2.85Å
23	A	92.4	Very high	95.7	Very high	12 Å²	12	44 Å²	44	10%	0.099	21%	0.212	C	C	.	.			trans	-94.3	138.9	-175.7	0	0	0	0	0	111.6	V21 Y28 L126 V127	V21-A23 PolarHBondContact O-N 3.45Å; A23-Y28 HydrophobicContact CB-CE2 3.92Å; A23-L126 HydrophobicContact CB-CB 3.63Å; A23-L126 HydrophobicContact CB-CD2 3.85Å; A23-L126 HydrophobicContact CB-CG 3.73Å; A23-V127 PolarHBondContact N-O 3.03Å
24	D	92.1	Very high	95.3	Very high	81 Å²	81	51.5 Å²	51.5	43%	0.433	24%	0.244	S	C	.	.			trans	-81.2	149.5	170.7	-54.5	-62.8	0	0	0	109.1	F26 M27 K55	D24-F26 HydrophobicContact CB-CD1 3.47Å; D24-F26 VanDerWaalsContact CB-CD1 3.47Å; D24-F26 HydrophobicContact CB-CE1 3.56Å; D24-F26 PolarHBondContact O-N 3.28Å; D24-M27 WeakPolarHBondContact O-CB 3.25Å; D24-M27 PolarHBondContact O-N 2.72Å; D24-K55 IonicContact OD1-NZ 2.63Å; D24-K55 VanDerWaalsContact OD2-CE 3.23Å; D24-K55 WeakPolarHBondContact OD2-CE 3.07Å; D24-K55 IonicContact OD2-NZ 2.71Å; D24-K55 PolarHBondContact OD2-NZ 3.42Å
25	D	91.1	Very high	94.5	Very high	84 Å²	84	54.7 Å²	54.7	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-54.7	-27.7	-177	-75.9	-9.6	0	0	0	114.5	M27 Y28	D25-M27 PolarHBondContact O-N 3.34Å; D25-Y28 PolarHBondContact O-N 3.07Å
26	F	94.8	Very high	93.6	Very high	89 Å²	89	59.2 Å²	59.2	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-28.7	178.4	83.7	-95.7	0	0	0	112.5	D24 Y28 R29 K30	D24-F26 HydrophobicContact CB-CD1 3.47Å; D24-F26 VanDerWaalsContact CB-CD1 3.47Å; D24-F26 HydrophobicContact CB-CE1 3.56Å; D24-F26 PolarHBondContact O-N 3.28Å; F26-Y28 VanDerWaalsContact C-N 3.33Å; F26-Y28 PolarHBondContact O-N 2.92Å; F26-R29 PolarHBondContact O-N 3.15Å; F26-K30 HydrophobicContact CD2-CD 4.47Å; F26-K30 HydrophobicContact CE2-CD 4.28Å; F26-K30 VanDerWaalsContact O-CB 3.29Å; F26-K30 WeakPolarHBondContact O-CB 3.09Å; F26-K30 PolarHBondContact O-N 2.76Å
27	M	95.6	Very high	92.9	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-42.5	-179.3	-66.5	-73.8	-72.2	0	0	110.8	D24 D25 R29 K30 Y31 I48 E51 I52 L126	D24-M27 WeakPolarHBondContact O-CB 3.25Å; D24-M27 PolarHBondContact O-N 2.72Å; D25-M27 PolarHBondContact O-N 3.34Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 3.11Å; M27-K30 PolarHBondContact O-N 2.9Å; M27-Y31 HydrophobicContact CE-CD2 4.22Å; M27-Y31 HydrophobicContact CE-CE2 3.77Å; M27-Y31 WeakPolarHBondContact O-CD2 3.14Å; M27-Y31 PolarHBondContact O-N 3.23Å; M27-Y31 HydrophobicContact SD-CE2 4.08Å; M27-I48 HydrophobicContact CE-CD1 4.47Å; M27-I48 HydrophobicContact CE-CG1 3.86Å; M27-E51 HydrophobicContact CE-CG 4.18Å; M27-E51 HydrophobicContact SD-CG 4.07Å; M27-E51 VanDerWaalsContact SD-OE2 3.35Å; M27-I52 HydrophobicContact CE-CG2 3.75Å; M27-L126 HydrophobicContact CB-CD2 3.77Å; M27-L126 HydrophobicContact CE-CD2 4.27Å
28	Y	94.8	Very high	92.4	Very high	16 Å²	16	64 Å²	64	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-40.4	178.7	-60.4	-85	0	0	0	111.8	A23 D25 F26 N32 L33 K35 L126 S128	A23-Y28 HydrophobicContact CB-CE2 3.92Å; D25-Y28 PolarHBondContact O-N 3.07Å; F26-Y28 VanDerWaalsContact C-N 3.33Å; F26-Y28 PolarHBondContact O-N 2.92Å; Y28-N32 WeakPolarHBondContact O-CA 3.28Å; Y28-N32 PolarHBondContact O-N 2.97Å; Y28-N32 VanDerWaalsContact O-N 3.12Å; Y28-L33 HydrophobicContact CD1-CB 4.25Å; Y28-L33 PolarHBondContact O-N 3.25Å; Y28-K35 HydrophobicContact CD1-CG 4.37Å; Y28-K35 HydrophobicContact CE1-CG 4.31Å; Y28-L126 HydrophobicContact CE1-CB 4.24Å; Y28-L126 PolarHBondContact OH-O 2.88Å; Y28-S128 WeakPolarHBondContact OH-CB 3.48Å; Y28-S128 PolarHBondContact OH-N 3.39Å
29	R	95.3	Very high	92.1	Very high	183 Å²	183	65.2 Å²	65.2	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-69.4	-46	175.2	-66.7	-171.2	-66.4	-89.8	1.3	111.9	F26 M27 Y31 N32	F26-R29 PolarHBondContact O-N 3.15Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 3.11Å; R29-Y31 VanDerWaalsContact C-N 3.33Å; R29-Y31 PolarHBondContact O-N 2.62Å; R29-N32 PolarHBondContact O-N 3.46Å
30	K	97.1	Very high	91.9	Very high	110 Å²	110	68 Å²	68	48%	0.478	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-43.1	-177.4	-178.2	-177.7	178.6	-164.8	0	112.2	F26 M27 E51	F26-K30 HydrophobicContact CD2-CD 4.47Å; F26-K30 HydrophobicContact CE2-CD 4.28Å; F26-K30 VanDerWaalsContact O-CB 3.29Å; F26-K30 WeakPolarHBondContact O-CB 3.09Å; F26-K30 PolarHBondContact O-N 2.76Å; M27-K30 PolarHBondContact O-N 2.9Å; K30-E51 IonicContact NZ-OE1 2.86Å; K30-E51 PolarHBondContact NZ-OE1 3.23Å; K30-E51 IonicContact NZ-OE2 3.38Å; K30-E51 PolarHBondContact NZ-OE2 3.36Å
31	Y	97	Very high	92.1	Very high	8 Å²	8	68.2 Å²	68.2	3%	0.031	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.1	-177.4	-67.8	-69.7	0	0	0	113.8	M27 R29 L33 H45 T47 I48 E51	M27-Y31 HydrophobicContact CE-CD2 4.22Å; M27-Y31 HydrophobicContact CE-CE2 3.77Å; M27-Y31 WeakPolarHBondContact O-CD2 3.14Å; M27-Y31 PolarHBondContact O-N 3.23Å; M27-Y31 HydrophobicContact SD-CE2 4.08Å; R29-Y31 VanDerWaalsContact C-N 3.33Å; R29-Y31 PolarHBondContact O-N 2.62Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 2.82Å; Y31-H45 PolarHBondContact O-NE2 3.5Å; Y31-T47 WeakPolarHBondContact CE1-OG1 3.4Å; Y31-T47 VanDerWaalsContact OH-C 3.3Å; Y31-T47 PolarHBondContact OH-O 3.48Å; Y31-T47 PolarHBondContact OH-OG1 3.34Å; Y31-I48 HydrophobicContact CD1-CB 4.24Å; Y31-I48 HydrophobicContact CD1-CD1 4.48Å; Y31-I48 HydrophobicContact CD2-CB 4.33Å; Y31-I48 HydrophobicContact CD2-CD1 3.76Å; Y31-I48 HydrophobicContact CD2-CG1 3.86Å; Y31-I48 HydrophobicContact CE1-CB 3.82Å; Y31-I48 HydrophobicContact CE1-CG1 4.4Å; Y31-I48 HydrophobicContact CE2-CB 3.94Å; Y31-I48 HydrophobicContact CE2-CD1 4.11Å; Y31-I48 HydrophobicContact CE2-CG1 3.66Å; Y31-I48 HydrophobicContact CG-CB 4.49Å; Y31-I48 HydrophobicContact CG-CD1 3.99Å; Y31-I48 HydrophobicContact CG-CG1 4.34Å; Y31-I48 WeakPolarHBondContact OH-CA 3.47Å; Y31-I48 PolarHBondContact OH-N 2.96Å; Y31-E51 WeakPolarHBondContact CE2-OE2 3.35Å; Y31-E51 PolarHBondContact OH-OE2 3.36Å
32	N	96.2	Very high	92.1	Very high	136 Å²	136	72.9 Å²	72.9	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	48.5	-177.2	-169.7	42.3	0	0	0	113.2	Y28 R29	Y28-N32 WeakPolarHBondContact O-CA 3.28Å; Y28-N32 PolarHBondContact O-N 2.97Å; Y28-N32 VanDerWaalsContact O-N 3.12Å; R29-N32 PolarHBondContact O-N 3.46Å
33	L	94.8	Very high	92.2	Very high	14 Å²	14	74.9 Å²	74.9	7%	0.073	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-101.9	129.7	-175.7	-60.6	177.8	0	0	0	110.9	Y28 Y31 V39 I48 L126 S133 V135	Y28-L33 HydrophobicContact CD1-CB 4.25Å; Y28-L33 PolarHBondContact O-N 3.25Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 2.82Å; L33-V39 HydrophobicContact CD2-CG2 3.8Å; L33-I48 HydrophobicContact CD1-CD1 4.08Å; L33-L126 HydrophobicContact CD1-CD2 4.04Å; L33-S133 WeakPolarHBondContact CB-OG 3.24Å; L33-V135 HydrophobicContact CD1-CG2 3.61Å; L33-V135 HydrophobicContact CD2-CG2 3.69Å; L33-V135 HydrophobicContact CG-CG2 4.31Å
34	K	89.9	Confident	92.4	Very high	158 Å²	158	79.8 Å²	79.8	69%	0.687	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-76.7	146	165.2	-66	-177.3	-179.7	178.9	0	109.7	N37 S133	K34-N37 HydrophobicContact CB-CB 4.03Å; K34-S133 VanDerWaalsContact O-CB 3.31Å; K34-S133 WeakPolarHBondContact O-CB 3.16Å; K34-S133 PolarHBondContact O-OG 2.76Å
35	K	81.9	Confident	92.7	Very high	77 Å²	77	76.1 Å²	76.1	34%	0.335	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	147	165.5	-63.2	-168.3	179.7	-172.3	0	108.7	Y28 E129 L131	Y28-K35 HydrophobicContact CD1-CG 4.37Å; Y28-K35 HydrophobicContact CE1-CG 4.31Å; K35-E129 IonicContact NZ-OE2 2.74Å; K35-E129 PolarHBondContact NZ-OE2 3.42Å; K35-L131 HydrophobicContact CB-CB 4.12Å; K35-L131 HydrophobicContact CB-CD1 4.22Å; K35-L131 HydrophobicContact CD-CB 4.15Å; K35-L131 HydrophobicContact CD-CD1 3.51Å; K35-L131 HydrophobicContact CD-CG 4.48Å; K35-L131 HydrophobicContact CG-CD1 4.48Å
36	D	81	Confident	93	Very high	95 Å²	95	75 Å²	75	51%	0.508	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	49.8	-175.7	-66.4	-12.5	0	0	0	114.4	L131 R132	D36-L131 VanDerWaalsContact OD1-CA 3.32Å; D36-L131 WeakPolarHBondContact OD1-CA 3.48Å; D36-L131 WeakPolarHBondContact OD1-CB 3.46Å; D36-L131 WeakPolarHBondContact OD2-CD2 3.38Å; D36-R132 WeakPolarHBondContact CA-O 3.23Å; D36-R132 PolarHBondContact N-O 2.89Å; D36-R132 PolarHBondContact OD1-N 3.23Å
37	N	84	Confident	93.1	Very high	64 Å²	64	74.5 Å²	74.5	34%	0.342	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.9	178.8	-165.2	30.7	0	0	0	112.4	K34 R132 M134	K34-N37 HydrophobicContact CB-CB 4.03Å; N37-R132 PolarHBondContact N-O 3.36Å; N37-M134 PolarHBondContact O-N 3.04Å
38	I	86.9	Confident	93.2	Very high	55 Å²	55	74.3 Å²	74.3	28%	0.282	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.5	171.4	-59.3	167.7	0	0	0	108	M134 F169	I38-M134 WeakPolarHBondContact CA-O 3.39Å; I38-M134 HydrophobicContact CB-CB 4.43Å; I38-M134 HydrophobicContact CD1-CE 3.6Å; I38-M134 HydrophobicContact CD1-SD 4.45Å; I38-M134 HydrophobicContact CG1-CB 4Å; I38-M134 HydrophobicContact CG1-CE 3.35Å; I38-M134 HydrophobicContact CG1-CG 4.5Å; I38-M134 HydrophobicContact CG1-SD 4.12Å; I38-M134 HydrophobicContact CG2-CB 4.42Å; I38-F169 HydrophobicContact CD1-CZ 4.36Å
39	V	92.1	Very high	93.4	Very high	33 Å²	33	74 Å²	74	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.6	172.4	-60.8	0	0	0	0	110.7	L33 M134 V135 T136	L33-V39 HydrophobicContact CD2-CG2 3.8Å; V39-M134 PolarHBondContact N-O 2.86Å; V39-V135 HydrophobicContact CG2-CB 4.32Å; V39-V135 HydrophobicContact CG2-CG1 4.26Å; V39-V135 HydrophobicContact CG2-CG2 3.93Å; V39-T136 PolarHBondContact O-N 3.18Å
40	L	93.3	Very high	93.5	Very high	70 Å²	70	70.6 Å²	70.6	37%	0.366	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.6	165.3	-67.5	175.9	0	0	0	109.4	E42 T136 L138 F200	L40-E42 PolarHBondContact O-N 3.07Å; L40-T136 HydrophobicContact CD2-CG2 4.15Å; L40-L138 HydrophobicContact CD2-CD1 4.06Å; L40-L138 HydrophobicContact CD2-CG 4.11Å; L40-F200 HydrophobicContact CD1-CE2 4.46Å; L40-F200 HydrophobicContact CD1-CZ 4.45Å
41	A	96.3	Very high	93.5	Very high	18 Å²	18	67.6 Å²	67.6	15%	0.149	34%	0.338	C	S	.	.			trans	-68.9	101.3	-177.2	0	0	0	0	0	111.3	H45 M46 Y49 V135 T136	A41-H45 HydrophobicContact CB-CB 4.41Å; A41-M46 HydrophobicContact CB-CE 4.04Å; A41-M46 HydrophobicContact CB-SD 4.32Å; A41-M46 VanDerWaalsContact O-CE 3.28Å; A41-M46 WeakPolarHBondContact O-CE 3.26Å; A41-Y49 HydrophobicContact CB-CE2 4.33Å; A41-V135 HydrophobicContact CB-CG1 3.93Å; A41-T136 WeakPolarHBondContact CB-O 3.47Å; A41-T136 PolarHBondContact N-O 3.34Å
42	E	94.8	Very high	93.5	Very high	103 Å²	103	67.2 Å²	67.2	48%	0.481	34%	0.336	S	S	.	.			trans	-69.7	167.8	159.7	-57.8	167.9	-112	0	0	112.8	L40 K44 H45	L40-E42 PolarHBondContact O-N 3.07Å; E42-K44 VanDerWaalsContact C-N 3.26Å; E42-K44 HydrophobicContact CB-CG 4.3Å; E42-K44 PolarHBondContact O-N 2.94Å; E42-K44 WeakPolarHBondContact OE1-CE 3.42Å; E42-K44 IonicContact OE1-NZ 2.76Å; E42-K44 PolarHBondContact OE1-NZ 3.38Å; E42-K44 IonicContact OE2-NZ 2.77Å; E42-K44 PolarHBondContact OE2-NZ 2.85Å; E42-H45 PolarHBondContact N-ND1 3.08Å; E42-H45 WeakPolarHBondContact O-CB 3.37Å; E42-H45 PolarHBondContact O-N 3.48Å; E42-H45 IonicContact OE1-CE1 3.14Å; E42-H45 PolarHBondContact OE1-CE1 3.31Å
43	E	95.4	Very high	93.5	Very high	163 Å²	163	65.6 Å²	65.6	76%	0.762	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-49.5	-43.9	177.7	-173.1	60.4	-157.9	0	0	113	H45 M46	E43-H45 PolarHBondContact O-N 2.95Å; E43-H45 VanDerWaalsContact O-N 3.09Å; E43-M46 PolarHBondContact O-N 3.37Å; E43-M46 VanDerWaalsContact O-N 3.14Å
44	K	96.6	Very high	93.6	Very high	115 Å²	115	73 Å²	73	50%	0.5	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.5	178.9	73	-170.6	-177.8	-136.9	0	113.6	E42	E42-K44 VanDerWaalsContact C-N 3.26Å; E42-K44 HydrophobicContact CB-CG 4.3Å; E42-K44 PolarHBondContact O-N 2.94Å; E42-K44 WeakPolarHBondContact OE1-CE 3.42Å; E42-K44 IonicContact OE1-NZ 2.76Å; E42-K44 PolarHBondContact OE1-NZ 3.38Å; E42-K44 IonicContact OE2-NZ 2.77Å; E42-K44 PolarHBondContact OE2-NZ 2.85Å
45	H	98	Very high	93.9	Very high	5 Å²	5	68.1 Å²	68.1	2%	0.023	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-90.2	-17.4	-179.1	-53.9	126.5	0	0	0	113.2	Y31 A41 E42 E43 T47 I48 V135	Y31-H45 PolarHBondContact O-NE2 3.5Å; A41-H45 HydrophobicContact CB-CB 4.41Å; E42-H45 PolarHBondContact N-ND1 3.08Å; E42-H45 WeakPolarHBondContact O-CB 3.37Å; E42-H45 PolarHBondContact O-N 3.48Å; E42-H45 IonicContact OE1-CE1 3.14Å; E42-H45 PolarHBondContact OE1-CE1 3.31Å; E43-H45 PolarHBondContact O-N 2.95Å; E43-H45 VanDerWaalsContact O-N 3.09Å; H45-T47 PolarHBondContact O-N 3.31Å; H45-I48 WeakPolarHBondContact O-CB 3.43Å; H45-I48 WeakPolarHBondContact O-CG2 3.27Å; H45-I48 PolarHBondContact O-N 3.25Å; H45-V135 HydrophobicContact CB-CG1 3.86Å
46	M	97.1	Very high	94.3	Very high	59 Å²	59	73.4 Å²	73.4	29%	0.291	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.9	-167.5	-66.5	-58.6	172.5	0	0	114.3	A41 E43 I48 Y49 Y137	A41-M46 HydrophobicContact CB-CE 4.04Å; A41-M46 HydrophobicContact CB-SD 4.32Å; A41-M46 VanDerWaalsContact O-CE 3.28Å; A41-M46 WeakPolarHBondContact O-CE 3.26Å; E43-M46 PolarHBondContact O-N 3.37Å; E43-M46 VanDerWaalsContact O-N 3.14Å; M46-I48 PolarHBondContact O-N 3.13Å; M46-I48 VanDerWaalsContact O-N 3.14Å; M46-Y49 WeakPolarHBondContact O-CD2 3.26Å; M46-Y49 PolarHBondContact O-N 3.11Å; M46-Y49 HydrophobicContact SD-CE2 4.36Å; M46-Y137 HydrophobicContact CE-CD2 3.85Å; M46-Y137 HydrophobicContact CE-CE2 4.08Å; M46-Y137 HydrophobicContact SD-CD2 4.07Å; M46-Y137 HydrophobicContact SD-CE2 4.42Å
47	T	97.7	Very high	94.9	Very high	79 Å²	79	78.3 Å²	78.3	49%	0.485	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-15.9	177.3	59.8	0	0	0	0	113.9	Y31 H45 Y49 D50 E51	Y31-T47 WeakPolarHBondContact CE1-OG1 3.4Å; Y31-T47 VanDerWaalsContact OH-C 3.3Å; Y31-T47 PolarHBondContact OH-O 3.48Å; Y31-T47 PolarHBondContact OH-OG1 3.34Å; H45-T47 PolarHBondContact O-N 3.31Å; T47-Y49 VanDerWaalsContact C-N 3.27Å; T47-Y49 PolarHBondContact O-N 3.08Å; T47-D50 PolarHBondContact O-N 2.77Å; T47-E51 PolarHBondContact O-N 3.46Å; T47-E51 VanDerWaalsContact O-N 3.12Å
48	I	98.1	Very high	95.4	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-37.6	-179.4	-158.5	170	0	0	0	111.5	M27 Y31 L33 H45 M46 E51 I52 A124 L126 V135	M27-I48 HydrophobicContact CE-CD1 4.47Å; M27-I48 HydrophobicContact CE-CG1 3.86Å; Y31-I48 HydrophobicContact CD1-CB 4.24Å; Y31-I48 HydrophobicContact CD1-CD1 4.48Å; Y31-I48 HydrophobicContact CD2-CB 4.33Å; Y31-I48 HydrophobicContact CD2-CD1 3.76Å; Y31-I48 HydrophobicContact CD2-CG1 3.86Å; Y31-I48 HydrophobicContact CE1-CB 3.82Å; Y31-I48 HydrophobicContact CE1-CG1 4.4Å; Y31-I48 HydrophobicContact CE2-CB 3.94Å; Y31-I48 HydrophobicContact CE2-CD1 4.11Å; Y31-I48 HydrophobicContact CE2-CG1 3.66Å; Y31-I48 HydrophobicContact CG-CB 4.49Å; Y31-I48 HydrophobicContact CG-CD1 3.99Å; Y31-I48 HydrophobicContact CG-CG1 4.34Å; Y31-I48 WeakPolarHBondContact OH-CA 3.47Å; Y31-I48 PolarHBondContact OH-N 2.96Å; L33-I48 HydrophobicContact CD1-CD1 4.08Å; H45-I48 WeakPolarHBondContact O-CB 3.43Å; H45-I48 WeakPolarHBondContact O-CG2 3.27Å; H45-I48 PolarHBondContact O-N 3.25Å; M46-I48 PolarHBondContact O-N 3.13Å; M46-I48 VanDerWaalsContact O-N 3.14Å; I48-E51 PolarHBondContact O-N 3.41Å; I48-I52 HydrophobicContact CG1-CG2 4.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 WeakPolarHBondContact O-CG2 3.43Å; I48-I52 PolarHBondContact O-N 3.15Å; I48-A124 HydrophobicContact CD1-CB 4.41Å; I48-A124 HydrophobicContact CG2-CB 4.23Å; I48-L126 HydrophobicContact CD1-CD1 3.7Å; I48-L126 HydrophobicContact CD1-CD2 4.1Å; I48-L126 HydrophobicContact CG1-CD1 4.46Å; I48-V135 HydrophobicContact CD1-CB 4.43Å; I48-V135 HydrophobicContact CD1-CG2 3.88Å; I48-V135 HydrophobicContact CG2-CG1 4.37Å
49	Y	97.8	Very high	95.8	Very high	10 Å²	10	77.5 Å²	77.5	4%	0.039	37%	0.37	C	S	.	.	H	α-helix	trans	-67.8	-41.3	-175.8	-60.7	-68.7	0	0	0	111.3	A41 M46 T47 E51 I52 Q53 K122 A124 V135 Y137	A41-Y49 HydrophobicContact CB-CE2 4.33Å; M46-Y49 WeakPolarHBondContact O-CD2 3.26Å; M46-Y49 PolarHBondContact O-N 3.11Å; M46-Y49 HydrophobicContact SD-CE2 4.36Å; T47-Y49 VanDerWaalsContact C-N 3.27Å; T47-Y49 PolarHBondContact O-N 3.08Å; Y49-E51 VanDerWaalsContact C-N 3.34Å; Y49-I52 WeakPolarHBondContact O-CG1 3.33Å; Y49-Q53 VanDerWaalsContact O-CB 3.24Å; Y49-Q53 WeakPolarHBondContact O-CB 3.27Å; Y49-Q53 PolarHBondContact O-N 3.22Å; Y49-Q53 VanDerWaalsContact O-N 3.16Å; Y49-K122 HydrophobicContact CD1-CD 3.75Å; Y49-K122 HydrophobicContact CD1-CG 3.98Å; Y49-K122 HydrophobicContact CE1-CD 4.07Å; Y49-K122 HydrophobicContact CE1-CG 3.77Å; Y49-K122 HydrophobicContact CG-CD 4.13Å; Y49-K122 VanDerWaalsContact CG-CE 3.48Å; Y49-A124 HydrophobicContact CD1-CB 4.15Å; Y49-A124 HydrophobicContact CE1-CB 3.77Å; Y49-V135 PolarHBondContact OH-O 3.47Å; Y49-Y137 VanDerWaalsContact OH-CB 3.25Å; Y49-Y137 WeakPolarHBondContact OH-CB 3.31Å; Y49-Y137 PolarHBondContact OH-N 2.66Å
50	D	97.4	Very high	96	Very high	110 Å²	110	79.3 Å²	79.3	59%	0.588	37%	0.374	S	S	*	.	H	α-helix	trans	-71.2	-31.4	175.8	-66.3	-25.9	0	0	0	112.2	T47 K54	T47-D50 PolarHBondContact O-N 2.77Å; D50-K54 WeakPolarHBondContact O-CE 3.2Å; D50-K54 WeakPolarHBondContact O-CG 3.24Å
51	E	97.9	Very high	96.1	Very high	47 Å²	47	76.7 Å²	76.7	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-71.1	-48.3	178.3	-173.3	166.2	-139.8	0	0	111.8	M27 K30 Y31 T47 I48 Y49 Q53 K54	M27-E51 HydrophobicContact CE-CG 4.18Å; M27-E51 HydrophobicContact SD-CG 4.07Å; M27-E51 VanDerWaalsContact SD-OE2 3.35Å; K30-E51 IonicContact NZ-OE1 2.86Å; K30-E51 PolarHBondContact NZ-OE1 3.23Å; K30-E51 IonicContact NZ-OE2 3.38Å; K30-E51 PolarHBondContact NZ-OE2 3.36Å; Y31-E51 WeakPolarHBondContact CE2-OE2 3.35Å; Y31-E51 PolarHBondContact OH-OE2 3.36Å; T47-E51 PolarHBondContact O-N 3.46Å; T47-E51 VanDerWaalsContact O-N 3.12Å; I48-E51 PolarHBondContact O-N 3.41Å; Y49-E51 VanDerWaalsContact C-N 3.34Å; E51-Q53 VanDerWaalsContact C-N 3.29Å; E51-Q53 PolarHBondContact O-N 3.26Å; E51-K54 PolarHBondContact O-N 2.92Å
52	I	97.2	Very high	96.2	Very high	1 Å²	1	75.8 Å²	75.8	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-33	178.8	68.8	-179.3	0	0	0	111.4	I19 V21 M27 I48 Y49 K54 K55 L58 A124	I19-I52 HydrophobicContact CB-CD1 4.13Å; I19-I52 HydrophobicContact CG2-CD1 3.8Å; I19-I52 HydrophobicContact CG2-CG1 4.4Å; V21-I52 HydrophobicContact CG1-CB 4.06Å; V21-I52 HydrophobicContact CG1-CG2 3.82Å; M27-I52 HydrophobicContact CE-CG2 3.75Å; I48-I52 HydrophobicContact CG1-CG2 4.25Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 WeakPolarHBondContact O-CG2 3.43Å; I48-I52 PolarHBondContact O-N 3.15Å; Y49-I52 WeakPolarHBondContact O-CG1 3.33Å; I52-K54 PolarHBondContact O-N 3.27Å; I52-K54 VanDerWaalsContact O-N 3.08Å; I52-K55 WeakPolarHBondContact O-CB 3.3Å; I52-K55 PolarHBondContact O-N 3.11Å; I52-L58 WeakPolarHBondContact O-CD1 3.32Å; I52-A124 HydrophobicContact CD1-CB 3.62Å
53	Q	96.5	Very high	96.3	Very high	101 Å²	101	70.9 Å²	70.9	47%	0.472	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	-179.4	-162.1	62.5	18.8	0	0	113.1	Y49 E51 Y60	Y49-Q53 VanDerWaalsContact O-CB 3.24Å; Y49-Q53 WeakPolarHBondContact O-CB 3.27Å; Y49-Q53 PolarHBondContact O-N 3.22Å; Y49-Q53 VanDerWaalsContact O-N 3.16Å; E51-Q53 VanDerWaalsContact C-N 3.29Å; E51-Q53 PolarHBondContact O-N 3.26Å; Q53-Y60 VanDerWaalsContact CD-OH 3.28Å; Q53-Y60 PolarHBondContact NE2-OH 3.03Å; Q53-Y60 PolarHBondContact OE1-OH 3.3Å
54	K	96.3	Very high	96.4	Very high	169 Å²	169	63.5 Å²	63.5	74%	0.735	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.7	174.4	-64.4	165.6	-170.5	171.8	0	113.1	D50 E51 I52	D50-K54 WeakPolarHBondContact O-CE 3.2Å; D50-K54 WeakPolarHBondContact O-CG 3.24Å; E51-K54 PolarHBondContact O-N 2.92Å; I52-K54 PolarHBondContact O-N 3.27Å; I52-K54 VanDerWaalsContact O-N 3.08Å
55	K	94.9	Very high	96.4	Very high	57 Å²	57	58.9 Å²	58.9	25%	0.248	28%	0.281	C	S	.	.	S	Bend	trans	-72.9	155.3	179.4	-75.6	-167.6	152.2	-175.4	0	111.7	V21 D22 D24 I52 L58	V21-K55 HydrophobicContact CG2-CB 3.95Å; V21-K55 HydrophobicContact CG2-CD 3.45Å; V21-K55 VanDerWaalsContact CG2-CD 3.45Å; V21-K55 HydrophobicContact CG2-CG 4.26Å; D22-K55 PolarHBondContact O-NZ 2.85Å; D24-K55 IonicContact OD1-NZ 2.63Å; D24-K55 VanDerWaalsContact OD2-CE 3.23Å; D24-K55 WeakPolarHBondContact OD2-CE 3.07Å; D24-K55 IonicContact OD2-NZ 2.71Å; D24-K55 PolarHBondContact OD2-NZ 3.42Å; I52-K55 WeakPolarHBondContact O-CB 3.3Å; I52-K55 PolarHBondContact O-N 3.11Å; K55-L58 HydrophobicContact CB-CD2 4.45Å
56	K	92.1	Very high	96.4	Very high	187 Å²	187	58.8 Å²	58.8	81%	0.813	28%	0.28	S	S	*	.	S	Bend	trans	-84	157.6	173.7	-58	-59.7	-177.1	-175	0	109.8	L58	K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.46Å
57	K	92.6	Very high	96.5	Very high	199 Å²	199	56 Å²	56	87%	0.865	27%	0.267	S	S	*	.	S	Bend	trans	59.4	37.7	174.3	-54.6	-178.6	179.3	-179.6	0	114.5
58	L	94.8	Very high	96.5	Very high	32 Å²	32	52.5 Å²	52.5	17%	0.168	25%	0.245	C	C	.	.			trans	-62.8	140.2	167.9	-63.2	171.6	0	0	0	109.8	I19 V21 I52 K55 K56 Y60	I19-L58 HydrophobicContact CG2-CD2 4.26Å; V21-L58 HydrophobicContact CB-CD2 3.57Å; V21-L58 HydrophobicContact CG2-CD2 3.54Å; I52-L58 WeakPolarHBondContact O-CD1 3.32Å; K55-L58 HydrophobicContact CB-CD2 4.45Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.46Å; L58-Y60 HydrophobicContact CB-CE2 3.98Å; L58-Y60 VanDerWaalsContact CD1-OH 3.25Å; L58-Y60 WeakPolarHBondContact CD1-OH 3.47Å
59	N	94.4	Very high	96.6	Very high	69 Å²	69	52.5 Å²	52.5	37%	0.369	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.5	171.4	-173.2	27.3	0	0	0	109.1	I20	I20-N59 HydrophobicContact CB-CB 4.22Å; I20-N59 PolarHBondContact N-O 3.25Å; I20-N59 PolarHBondContact O-N 2.83Å; I20-N59 VanDerWaalsContact O-N 3.08Å
60	Y	96.4	Very high	96.6	Very high	72 Å²	72	52 Å²	52	28%	0.282	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	-177.6	-61.5	-80	0	0	0	108.6	L17 D18 I19 Q53 L58 Y97	L17-Y60 HydrophobicContact CD2-CD1 3.85Å; L17-Y60 HydrophobicContact CG-CD1 4.41Å; D18-Y60 WeakPolarHBondContact O-CA 3.5Å; I19-Y60 HydrophobicContact CB-CE1 4.39Å; I19-Y60 HydrophobicContact CD1-CE1 4.43Å; I19-Y60 HydrophobicContact CG1-CD1 4.06Å; I19-Y60 HydrophobicContact CG1-CE1 3.99Å; I19-Y60 HydrophobicContact CG2-CD1 4.32Å; I19-Y60 HydrophobicContact CG2-CE1 3.81Å; Q53-Y60 VanDerWaalsContact CD-OH 3.28Å; Q53-Y60 PolarHBondContact NE2-OH 3.03Å; Q53-Y60 PolarHBondContact OE1-OH 3.3Å; L58-Y60 HydrophobicContact CB-CE2 3.98Å; L58-Y60 VanDerWaalsContact CD1-OH 3.25Å; L58-Y60 WeakPolarHBondContact CD1-OH 3.47Å; Y60-Y97 PolarHBondContact O-OH 2.96Å; Y60-Y97 VanDerWaalsContact O-OH 3.11Å
61	I	96	Very high	96.7	Very high	14 Å²	14	47 Å²	47	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.7	-178.7	-60.3	-174.6	0	0	0	108.8	D18 I20 G63 S336	D18-I61 HydrophobicContact CB-CB 4.4Å; D18-I61 PolarHBondContact N-O 3.32Å; D18-I61 PolarHBondContact O-N 3.41Å; I20-I61 HydrophobicContact CD1-CD1 3.51Å; I20-I61 HydrophobicContact CD1-CG1 4.08Å; I61-G63 PolarHBondContact O-N 3Å; I61-S336 WeakPolarHBondContact CD1-O 3.31Å
62	A	97.8	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.8	171.5	0	0	0	0	0	108.9	K71 Y97 I98 D101	A62-K71 PolarHBondContact O-NZ 3.46Å; A62-Y97 HydrophobicContact CB-CD1 4.42Å; A62-Y97 HydrophobicContact CB-CE1 4.14Å; A62-I98 HydrophobicContact CB-CB 4.42Å; A62-I98 HydrophobicContact CB-CG1 4.05Å; A62-I98 HydrophobicContact CB-CG2 4.42Å; A62-D101 HydrophobicContact CB-CB 3.81Å; A62-D101 WeakPolarHBondContact CB-OD2 3.24Å
63	G	97.1	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-160.3	-173.6	0	0	0	0	0	112.8	L16 I61	L16-G63 PolarHBondContact N-O 3.48Å; L16-G63 CarbonylContact O-C 3.6Å; L16-G63 WeakPolarHBondContact O-CA 3.4Å; L16-G63 PolarHBondContact O-N 2.99Å; I61-G63 PolarHBondContact O-N 3Å
64	G	97.2	Very high	96.9	Very high	7 Å²	7	40 Å²	40	7%	0.072	18%	0.183	C	C	.	.			trans	101.7	124.1	-170.6	0	0	0	0	0	111.6	N14 T66 L67 N68	N14-G64 WeakPolarHBondContact O-CA 3.4Å; G64-T66 PolarHBondContact O-N 3.27Å; G64-L67 CarbonylContact O-C 3.58Å; G64-L67 WeakPolarHBondContact O-CA 3.4Å; G64-L67 WeakPolarHBondContact O-CB 3.41Å; G64-L67 PolarHBondContact O-N 3.27Å; G64-N68 PolarHBondContact O-N 3.45Å
65	A	97.1	Very high	97	Very high	18 Å²	18	33 Å²	33	15%	0.149	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-48.8	-167.5	0	0	0	0	0	114.1	T69 A167 F169	A65-T69 PolarHBondContact O-N 2.98Å; A65-T69 VanDerWaalsContact O-N 3.13Å; A65-T69 PolarHBondContact O-OG1 2.96Å; A65-A167 HydrophobicContact CB-CB 3.95Å; A65-F169 HydrophobicContact CB-CD2 3.78Å; A65-F169 HydrophobicContact CB-CE2 4.09Å
66	T	98.8	Very high	97.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-45.1	174.7	-52.4	0	0	0	0	111.2	M12 G64 N68 T69 V70 Y85 Y165 A167	M12-T66 VanDerWaalsContact O-CG2 3.28Å; M12-T66 WeakPolarHBondContact O-CG2 3.27Å; M12-T66 PolarHBondContact O-OG1 3.07Å; M12-T66 VanDerWaalsContact O-OG1 3.13Å; G64-T66 PolarHBondContact O-N 3.27Å; T66-N68 PolarHBondContact O-N 3.02Å; T66-T69 PolarHBondContact O-N 3.2Å; T66-V70 HydrophobicContact CG2-CG2 3.97Å; T66-V70 WeakPolarHBondContact O-CB 3.47Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 3.39Å; T66-Y85 HydrophobicContact CG2-CD2 4.4Å; T66-Y85 HydrophobicContact CG2-CE2 3.94Å; T66-Y165 HydrophobicContact CG2-CD1 3.95Å; T66-Y165 VanDerWaalsContact CG2-O 3.23Å; T66-Y165 WeakPolarHBondContact CG2-O 3.37Å; T66-A167 WeakPolarHBondContact OG1-CB 3.24Å; T66-A167 PolarHBondContact OG1-N 3.37Å; T66-A167 VanDerWaalsContact OG1-N 3.09Å
67	L	98.8	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-44.4	-176.9	-179.1	55.3	0	0	0	111.1	P15 G64 T69 V70 K71 Y85 I98 L107	P15-L67 HydrophobicContact CB-CD2 4.41Å; G64-L67 CarbonylContact O-C 3.58Å; G64-L67 WeakPolarHBondContact O-CA 3.4Å; G64-L67 WeakPolarHBondContact O-CB 3.41Å; G64-L67 PolarHBondContact O-N 3.27Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 3.34Å; L67-V70 PolarHBondContact O-N 3.3Å; L67-K71 HydrophobicContact CG-CD 4.38Å; L67-K71 VanDerWaalsContact O-CB 3.28Å; L67-K71 WeakPolarHBondContact O-CB 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 3.1Å; L67-Y85 HydrophobicContact CB-CD2 4.37Å; L67-Y85 HydrophobicContact CB-CE1 4.41Å; L67-Y85 HydrophobicContact CB-CE2 3.72Å; L67-Y85 HydrophobicContact CD1-CD1 3.93Å; L67-Y85 HydrophobicContact CD1-CD2 3.92Å; L67-Y85 HydrophobicContact CD1-CE1 4.09Å; L67-Y85 HydrophobicContact CD1-CE2 4.07Å; L67-Y85 HydrophobicContact CD1-CG 3.83Å; L67-Y85 HydrophobicContact CG-CE2 4.47Å; L67-I98 HydrophobicContact CD2-CG2 3.73Å; L67-L107 HydrophobicContact CD1-CD2 3.81Å
68	N	98.6	Very high	97.7	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.032	9%	0.091	C	C	.	.	H	α-helix	trans	-53.5	-50.7	173.9	-76.1	-13.8	0	0	0	111.6	G64 T66 M72 D302 F338	G64-N68 PolarHBondContact O-N 3.45Å; T66-N68 PolarHBondContact O-N 3.02Å; N68-M72 WeakPolarHBondContact O-CB 3.42Å; N68-M72 PolarHBondContact O-N 2.89Å; N68-M72 VanDerWaalsContact O-N 3.11Å; N68-D302 HydrophobicContact CB-CB 3.74Å; N68-D302 WeakPolarHBondContact CB-OD2 3.27Å; N68-D302 PolarHBondContact ND2-OD2 2.83Å; N68-F338 HydrophobicContact CB-CD1 3.87Å; N68-F338 HydrophobicContact CB-CD2 3.83Å; N68-F338 HydrophobicContact CB-CE1 3.82Å; N68-F338 HydrophobicContact CB-CE2 3.76Å; N68-F338 HydrophobicContact CB-CG 3.87Å; N68-F338 HydrophobicContact CB-CZ 3.75Å; N68-F338 VanDerWaalsContact CG-CG 3.49Å; N68-F338 WeakPolarHBondContact O-CE1 3.48Å; N68-F338 WeakPolarHBondContact O-CZ 3.21Å; N68-F338 WeakPolarHBondContact OD1-CD1 3.23Å
69	T	98.9	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-52.7	-179.6	-55.8	0	0	0	0	111	A65 T66 L67 K71 M72 I73 Y165 D302 A305 A306	A65-T69 PolarHBondContact O-N 2.98Å; A65-T69 VanDerWaalsContact O-N 3.13Å; A65-T69 PolarHBondContact O-OG1 2.96Å; T66-T69 PolarHBondContact O-N 3.2Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 3.34Å; T69-K71 PolarHBondContact O-N 3.13Å; T69-M72 PolarHBondContact O-N 2.79Å; T69-I73 HydrophobicContact CG2-CD1 4.01Å; T69-I73 WeakPolarHBondContact O-CG1 3.41Å; T69-I73 PolarHBondContact O-N 2.89Å; T69-Y165 HydrophobicContact CG2-CD1 3.57Å; T69-Y165 HydrophobicContact CG2-CD2 4.1Å; T69-Y165 HydrophobicContact CG2-CE1 3.46Å; T69-Y165 VanDerWaalsContact CG2-CE1 3.46Å; T69-Y165 HydrophobicContact CG2-CE2 3.98Å; T69-Y165 HydrophobicContact CG2-CG 3.89Å; T69-Y165 WeakPolarHBondContact OG1-CE1 3.2Å; T69-Y165 PolarHBondContact OG1-OH 2.96Å; T69-D302 WeakPolarHBondContact OG1-CA 3.28Å; T69-D302 WeakPolarHBondContact OG1-CB 3.49Å; T69-D302 PolarHBondContact OG1-O 2.72Å; T69-A305 HydrophobicContact CG2-CB 3.93Å; T69-A306 HydrophobicContact CG2-CB 3.97Å; T69-A306 WeakPolarHBondContact O-CB 3.38Å
70	V	98.9	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-43.3	-175	175.2	0	0	0	0	111.7	T66 L67 M72 I73 Q74 C83 L107 Y165	T66-V70 HydrophobicContact CG2-CG2 3.97Å; T66-V70 WeakPolarHBondContact O-CB 3.47Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 3.39Å; L67-V70 PolarHBondContact O-N 3.3Å; V70-M72 VanDerWaalsContact C-N 3.29Å; V70-M72 PolarHBondContact O-N 2.82Å; V70-I73 WeakPolarHBondContact O-CB 3.42Å; V70-I73 PolarHBondContact O-N 3.26Å; V70-Q74 PolarHBondContact O-N 3.13Å; V70-C83 HydrophobicContact CG1-CB 3.8Å; V70-L107 HydrophobicContact CG1-CD1 3.84Å; V70-Y165 HydrophobicContact CG2-CD1 4.48Å
71	K	98.7	Very high	98.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-67.5	-31.7	179.1	81.7	-175.2	-175	170.8	0	112	A62 L67 T69 W75 D101 L105 L107 F338 L340	A62-K71 PolarHBondContact O-NZ 3.46Å; L67-K71 HydrophobicContact CG-CD 4.38Å; L67-K71 VanDerWaalsContact O-CB 3.28Å; L67-K71 WeakPolarHBondContact O-CB 3.16Å; L67-K71 WeakPolarHBondContact O-CG 3.4Å; L67-K71 PolarHBondContact O-N 3.1Å; T69-K71 PolarHBondContact O-N 3.13Å; K71-W75 WeakPolarHBondContact O-CB 3.47Å; K71-W75 PolarHBondContact O-N 2.68Å; K71-D101 IonicContact NZ-OD2 2.69Å; K71-D101 PolarHBondContact NZ-OD2 3.21Å; K71-D101 VanDerWaalsContact NZ-OD2 3.15Å; K71-L105 HydrophobicContact CB-CD1 3.88Å; K71-L105 HydrophobicContact CD-CD1 4.03Å; K71-L105 HydrophobicContact CG-CD1 4.08Å; K71-L107 HydrophobicContact CB-CD2 4.08Å; K71-F338 VanDerWaalsContact CE-CD1 3.48Å; K71-F338 HydrophobicContact CG-CE1 4.28Å; K71-L340 HydrophobicContact CG-CD1 3.98Å
72	M	98.7	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-73.8	-35.4	173.1	-172.6	170.7	-168.5	0	0	112.5	N68 T69 V70 Q74 W75 I76 A303 A306 A328 Y331 I332 F338 L340 Y346	N68-M72 WeakPolarHBondContact O-CB 3.42Å; N68-M72 PolarHBondContact O-N 2.89Å; N68-M72 VanDerWaalsContact O-N 3.11Å; T69-M72 PolarHBondContact O-N 2.79Å; V70-M72 VanDerWaalsContact C-N 3.29Å; V70-M72 PolarHBondContact O-N 2.82Å; M72-Q74 VanDerWaalsContact C-N 3.34Å; M72-Q74 PolarHBondContact O-N 3.39Å; M72-W75 PolarHBondContact O-N 3.31Å; M72-I76 HydrophobicContact CE-CD1 4.25Å; M72-I76 HydrophobicContact CG-CD1 3.91Å; M72-I76 HydrophobicContact CG-CG1 4.2Å; M72-I76 WeakPolarHBondContact O-CB 3.27Å; M72-I76 VanDerWaalsContact O-CG1 3.24Å; M72-I76 WeakPolarHBondContact O-CG1 3.27Å; M72-I76 PolarHBondContact O-N 2.77Å; M72-A303 HydrophobicContact CE-CB 4.33Å; M72-A303 HydrophobicContact SD-CB 3.6Å; M72-A306 HydrophobicContact CB-CB 3.74Å; M72-A306 HydrophobicContact CG-CB 3.9Å; M72-A306 HydrophobicContact SD-CB 4.18Å; M72-A328 HydrophobicContact CE-CB 3.57Å; M72-A328 HydrophobicContact SD-CB 4.28Å; M72-Y331 HydrophobicContact CE-CD1 4.1Å; M72-I332 HydrophobicContact CE-CG1 4.21Å; M72-I332 HydrophobicContact SD-CD1 4.43Å; M72-I332 HydrophobicContact SD-CG1 4.04Å; M72-F338 HydrophobicContact CB-CE1 3.98Å; M72-F338 HydrophobicContact CB-CZ 3.72Å; M72-F338 HydrophobicContact CG-CZ 4.32Å; M72-F338 HydrophobicContact SD-CE2 4.41Å; M72-F338 HydrophobicContact SD-CZ 3.75Å; M72-L340 HydrophobicContact CB-CD1 4.3Å; M72-L340 HydrophobicContact CB-CD2 4.26Å; M72-L340 HydrophobicContact CG-CD2 4.01Å; M72-L340 HydrophobicContact SD-CD2 4.27Å; M72-Y346 HydrophobicContact CE-CE2 4.14Å
73	I	98.8	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.5	-49.5	170.8	-67.7	166.4	0	0	0	109.9	V9 T69 V70 W75 I76 I77 A306 I309 A310	V9-I73 HydrophobicContact CG1-CD1 4.33Å; V9-I73 HydrophobicContact CG1-CG2 4.46Å; V9-I73 HydrophobicContact CG2-CG2 4.26Å; T69-I73 HydrophobicContact CG2-CD1 4.01Å; T69-I73 WeakPolarHBondContact O-CG1 3.41Å; T69-I73 PolarHBondContact O-N 2.89Å; V70-I73 WeakPolarHBondContact O-CB 3.42Å; V70-I73 PolarHBondContact O-N 3.26Å; I73-W75 VanDerWaalsContact C-N 3.35Å; I73-W75 PolarHBondContact O-N 2.69Å; I73-I76 PolarHBondContact O-N 3.03Å; I73-I77 HydrophobicContact CG2-CD1 3.52Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 WeakPolarHBondContact O-CB 3.32Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 2.87Å; I73-A306 HydrophobicContact CG1-CB 3.83Å; I73-I309 HydrophobicContact CD1-CB 3.95Å; I73-I309 HydrophobicContact CD1-CD1 4.19Å; I73-I309 HydrophobicContact CD1-CG2 3.77Å; I73-A310 HydrophobicContact CG2-CB 4.33Å
74	Q	98.7	Very high	98.4	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-53.8	-50.9	175.8	177.7	54.2	44.3	0	0	111.2	V70 M72 I76 I77 Q78 K79 V82 C83 L105 L107	V70-Q74 PolarHBondContact O-N 3.13Å; M72-Q74 VanDerWaalsContact C-N 3.34Å; M72-Q74 PolarHBondContact O-N 3.39Å; Q74-I76 PolarHBondContact O-N 3.24Å; Q74-I77 PolarHBondContact O-N 3.33Å; Q74-Q78 PolarHBondContact O-N 3.11Å; Q74-K79 PolarHBondContact NE2-O 3.38Å; Q74-V82 VanDerWaalsContact OE1-N 3.14Å; Q74-C83 HydrophobicContact CB-CB 3.86Å; Q74-C83 HydrophobicContact CG-CB 4.46Å; Q74-C83 PolarHBondContact N-SG 2.95Å; Q74-L105 WeakPolarHBondContact CG-O 3.32Å; Q74-L107 HydrophobicContact CG-CB 4.45Å
75	W	98.5	Very high	98.5	Very high	23 Å²	23	18.5 Å²	18.5	9%	0.087	9%	0.092	C	C	.	.	H	α-helix	trans	-64.4	-37.9	179.9	-176.9	91.3	0	0	0	113.4	K71 M72 I73 Y331 L340 G341 R343 Y346	K71-W75 WeakPolarHBondContact O-CB 3.47Å; K71-W75 PolarHBondContact O-N 2.68Å; M72-W75 PolarHBondContact O-N 3.31Å; I73-W75 VanDerWaalsContact C-N 3.35Å; I73-W75 PolarHBondContact O-N 2.69Å; W75-Y331 HydrophobicContact CH2-CD1 4.36Å; W75-Y331 AromaticContact CH2-CE1 3.72Å; W75-Y331 HydrophobicContact CH2-CE1 3.72Å; W75-Y331 HydrophobicContact CH2-CE2 4.15Å; W75-Y331 AromaticContact CH2-CZ 3.58Å; W75-Y331 HydrophobicContact CZ2-CE1 4.24Å; W75-Y331 AromaticContact CZ2-CZ 3.96Å; W75-Y331 WeakPolarHBondContact CZ2-OH 3.39Å; W75-Y331 HydrophobicContact CZ3-CE1 4.23Å; W75-L340 HydrophobicContact CB-CD1 3.82Å; W75-L340 HydrophobicContact CD2-CB 4.47Å; W75-L340 HydrophobicContact CD2-CD2 4.45Å; W75-L340 HydrophobicContact CE3-CD2 4.49Å; W75-L340 HydrophobicContact CG-CB 4.34Å; W75-L340 HydrophobicContact CG-CD1 4Å; W75-G341 VanDerWaalsContact CZ2-O 3.32Å; W75-G341 WeakPolarHBondContact CZ2-O 3.21Å; W75-G341 PolarHBondContact NE1-O 2.74Å; W75-R343 VanDerWaalsContact CZ2-CA 3.46Å; W75-R343 HydrophobicContact CZ2-CB 4.2Å; W75-R343 WeakPolarHBondContact O-CD 3.35Å; W75-R343 PolarHBondContact O-NE 3.36Å; W75-R343 VanDerWaalsContact O-NE 3.08Å; W75-Y346 AromaticContact CH2-CD2 3.58Å; W75-Y346 HydrophobicContact CH2-CD2 3.58Å; W75-Y346 HydrophobicContact CH2-CE2 4.45Å; W75-Y346 AromaticContact CH2-CG 3.67Å; W75-Y346 HydrophobicContact CH2-CG 3.67Å; W75-Y346 HydrophobicContact CZ3-CD1 4.12Å; W75-Y346 AromaticContact CZ3-CD2 3.42Å; W75-Y346 HydrophobicContact CZ3-CD2 3.42Å; W75-Y346 VanDerWaalsContact CZ3-CD2 3.42Å; W75-Y346 AromaticContact CZ3-CE2 3.9Å; W75-Y346 HydrophobicContact CZ3-CE2 3.9Å; W75-Y346 AromaticContact CZ3-CG 3.55Å; W75-Y346 HydrophobicContact CZ3-CG 3.55Å
76	I	98	Very high	98.6	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-43.7	176.5	-72.2	169.6	0	0	0	110.7	M72 I73 Q74 A310 A328 R343 Y346	M72-I76 HydrophobicContact CE-CD1 4.25Å; M72-I76 HydrophobicContact CG-CD1 3.91Å; M72-I76 HydrophobicContact CG-CG1 4.2Å; M72-I76 WeakPolarHBondContact O-CB 3.27Å; M72-I76 VanDerWaalsContact O-CG1 3.24Å; M72-I76 WeakPolarHBondContact O-CG1 3.27Å; M72-I76 PolarHBondContact O-N 2.77Å; I73-I76 PolarHBondContact O-N 3.03Å; Q74-I76 PolarHBondContact O-N 3.24Å; I76-A310 HydrophobicContact CB-CB 4.13Å; I76-A310 HydrophobicContact CD1-CB 4.32Å; I76-A310 HydrophobicContact CG2-CB 3.68Å; I76-A328 HydrophobicContact CD1-CB 4.35Å; I76-R343 PolarHBondContact O-NH2 3.31Å; I76-R343 VanDerWaalsContact O-NH2 3.11Å; I76-Y346 HydrophobicContact CG1-CE1 4.25Å
77	I	97.5	Very high	98.6	Very high	19 Å²	19	17.5 Å²	17.5	10%	0.097	8%	0.084	C	C	.	.	H	α-helix	trans	-72.7	-28.3	-176.5	-68.9	169.6	0	0	0	111.9	L4 I73 Q74 K79 V82 A310 I313	L4-I77 HydrophobicContact CD1-CD1 3.84Å; I73-I77 HydrophobicContact CG2-CD1 3.52Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 WeakPolarHBondContact O-CB 3.32Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 2.87Å; Q74-I77 PolarHBondContact O-N 3.33Å; I77-K79 HydrophobicContact CG2-CB 4.09Å; I77-K79 PolarHBondContact O-N 2.83Å; I77-V82 HydrophobicContact CD1-CG1 4.03Å; I77-V82 HydrophobicContact CG2-CB 4.35Å; I77-V82 HydrophobicContact CG2-CG1 4.3Å; I77-V82 HydrophobicContact CG2-CG2 4.07Å; I77-A310 HydrophobicContact CG1-CB 4.32Å; I77-I313 HydrophobicContact CD1-CD1 4.32Å
78	Q	97.5	Very high	98.6	Very high	107 Å²	107	17.5 Å²	17.5	50%	0.5	8%	0.084	S	C	.	.			trans	66.5	-25.4	178	-52.3	-175.3	-112.3	0	0	116	Q74 P80 R343	Q74-Q78 PolarHBondContact O-N 3.11Å; Q78-P80 WeakPolarHBondContact O-CD 3.49Å; Q78-R343 HydrophobicContact CG-CG 3.77Å; Q78-R343 VanDerWaalsContact OE1-NH2 3.14Å
79	K	97.9	Very high	98.6	Very high	64 Å²	64	17.4 Å²	17.4	28%	0.278	8%	0.084	S	C	.	.	S	Bend	trans	-66.8	123.6	174.6	-178.7	176.5	-176.8	174	0	109.5	D3 L4 Q74 I77 V82	D3-K79 VanDerWaalsContact OD1-CD 3.25Å; D3-K79 WeakPolarHBondContact OD1-CD 3.48Å; D3-K79 IonicContact OD1-NZ 3.42Å; D3-K79 PolarHBondContact OD1-NZ 2.79Å; D3-K79 IonicContact OD2-NZ 3.76Å; D3-K79 PolarHBondContact OD2-NZ 2.9Å; L4-K79 WeakPolarHBondContact O-CD 3.38Å; L4-K79 WeakPolarHBondContact O-CE 3.47Å; L4-K79 PolarHBondContact O-NZ 3.03Å; Q74-K79 PolarHBondContact NE2-O 3.38Å; I77-K79 HydrophobicContact CG2-CB 4.09Å; I77-K79 PolarHBondContact O-N 2.83Å; K79-V82 HydrophobicContact CB-CG2 3.7Å; K79-V82 HydrophobicContact CD-CG2 3.8Å; K79-V82 HydrophobicContact CG-CG2 3.72Å; K79-V82 WeakPolarHBondContact O-CG2 3.42Å
80	P	98.4	Very high	98.6	Very high	54 Å²	54	17.5 Å²	17.5	35%	0.351	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	146.8	179.3	-28.3	36.8	0	0	0	112.6	Q78 V82 D106	Q78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-V82 PolarHBondContact O-N 2.85Å; P80-D106 HydrophobicContact CB-CB 3.84Å
81	F	98.7	Very high	98.6	Very high	81 Å²	81	19.9 Å²	19.9	36%	0.355	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	15.1	168.1	-41.5	-52.1	0	0	0	116	E6 G7 C83 D106 V108	E6-F81 CarbonylContact C-O 3.53Å; E6-F81 VanDerWaalsContact CA-O 3.31Å; E6-F81 WeakPolarHBondContact CA-O 3.47Å; E6-F81 HydrophobicContact CB-CB 4.36Å; E6-F81 HydrophobicContact CG-CB 4.07Å; G7-F81 PolarHBondContact N-O 3.27Å; F81-C83 VanDerWaalsContact C-N 3.27Å; F81-C83 PolarHBondContact O-N 3.05Å; F81-D106 WeakPolarHBondContact CA-O 3.46Å; F81-D106 HydrophobicContact CD1-CB 4.23Å; F81-D106 VanDerWaalsContact CD1-O 3.31Å; F81-D106 WeakPolarHBondContact CD1-O 3.44Å; F81-D106 HydrophobicContact CE1-CB 3.99Å; F81-D106 PolarHBondContact N-O 3.28Å; F81-V108 HydrophobicContact CB-CG2 3.68Å; F81-V108 HydrophobicContact CD1-CG2 3.81Å; F81-V108 HydrophobicContact CG-CG2 4.09Å
82	V	98.8	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.			trans	-66.9	-33.5	174.5	172.5	0	0	0	0	111.1	L4 G7 Y8 V9 Q74 I77 K79 P80	L4-V82 HydrophobicContact CB-CG1 3.99Å; L4-V82 HydrophobicContact CB-CG2 4.46Å; L4-V82 HydrophobicContact CD1-CG1 4.1Å; G7-V82 CarbonylContact C-O 3.5Å; G7-V82 VanDerWaalsContact C-O 3.3Å; G7-V82 WeakPolarHBondContact CA-O 3.45Å; G7-V82 PolarHBondContact N-O 3.4Å; Y8-V82 PolarHBondContact N-O 3.13Å; V9-V82 HydrophobicContact CG2-CG1 4.47Å; V9-V82 PolarHBondContact N-O 3.34Å; Q74-V82 VanDerWaalsContact OE1-N 3.14Å; I77-V82 HydrophobicContact CD1-CG1 4.03Å; I77-V82 HydrophobicContact CG2-CB 4.35Å; I77-V82 HydrophobicContact CG2-CG1 4.3Å; I77-V82 HydrophobicContact CG2-CG2 4.07Å; K79-V82 HydrophobicContact CB-CG2 3.7Å; K79-V82 HydrophobicContact CD-CG2 3.8Å; K79-V82 HydrophobicContact CG-CG2 3.72Å; K79-V82 WeakPolarHBondContact O-CG2 3.42Å; P80-V82 PolarHBondContact O-N 2.85Å
83	C	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.7	177.3	-64.5	0	0	0	0	112.2	V9 V70 Q74 F81 L107 V108	V9-C83 CarbonylContact O-C 3.6Å; V9-C83 VanDerWaalsContact O-CA 3.24Å; V9-C83 WeakPolarHBondContact O-CA 3.34Å; V70-C83 HydrophobicContact CG1-CB 3.8Å; Q74-C83 HydrophobicContact CB-CB 3.86Å; Q74-C83 HydrophobicContact CG-CB 4.46Å; Q74-C83 PolarHBondContact N-SG 2.95Å; F81-C83 VanDerWaalsContact C-N 3.27Å; F81-C83 PolarHBondContact O-N 3.05Å; C83-L107 HydrophobicContact CB-CD1 3.41Å; C83-L107 VanDerWaalsContact CB-CD1 3.41Å; C83-V108 PolarHBondContact O-N 3.11Å
84	S	98.9	Very high	98.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.8	170.1	-66	0	0	0	0	110.2	V9 F10 G11 V108	V9-S84 PolarHBondContact O-N 3.27Å; F10-S84 CarbonylContact C-O 3.58Å; F10-S84 WeakPolarHBondContact CA-O 3.37Å; G11-S84 PolarHBondContact N-O 3.01Å; S84-V108 CarbonylContact C-O 3.41Å; S84-V108 VanDerWaalsContact CA-O 3.27Å; S84-V108 WeakPolarHBondContact CA-O 3.37Å
85	Y	99	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.3	178.8	-177.8	-91.1	0	0	0	112.7	G11 G13 N14 P15 T66 L67 V108 T109 E110 F111	G11-Y85 CarbonylContact O-C 3.5Å; G11-Y85 VanDerWaalsContact O-CA 3.27Å; G11-Y85 WeakPolarHBondContact O-CA 3.46Å; G13-Y85 PolarHBondContact O-OH 3.41Å; N14-Y85 PolarHBondContact N-OH 3.46Å; P15-Y85 HydrophobicContact CB-CE1 4.28Å; T66-Y85 HydrophobicContact CG2-CD2 4.4Å; T66-Y85 HydrophobicContact CG2-CE2 3.94Å; L67-Y85 HydrophobicContact CB-CD2 4.37Å; L67-Y85 HydrophobicContact CB-CE1 4.41Å; L67-Y85 HydrophobicContact CB-CE2 3.72Å; L67-Y85 HydrophobicContact CD1-CD1 3.93Å; L67-Y85 HydrophobicContact CD1-CD2 3.92Å; L67-Y85 HydrophobicContact CD1-CE1 4.09Å; L67-Y85 HydrophobicContact CD1-CE2 4.07Å; L67-Y85 HydrophobicContact CD1-CG 3.83Å; L67-Y85 HydrophobicContact CG-CE2 4.47Å; Y85-V108 PolarHBondContact N-O 3.48Å; Y85-T109 VanDerWaalsContact O-CA 3.27Å; Y85-T109 WeakPolarHBondContact O-CA 3.37Å; Y85-E110 PolarHBondContact O-N 3.12Å; Y85-F111 AromaticContact CD1-CE1 3.94Å; Y85-F111 HydrophobicContact CD1-CE1 3.94Å; Y85-F111 HydrophobicContact CD1-CZ 4.11Å; Y85-F111 AromaticContact CE1-CE1 3.77Å; Y85-F111 HydrophobicContact CE1-CE1 3.77Å; Y85-F111 HydrophobicContact CE1-CZ 4.3Å
86	V	99	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.2	173.5	174.6	0	0	0	0	110	F10 G11 M12 G13 E110 L144 V154	F10-V86 HydrophobicContact CE2-CB 4.39Å; F10-V86 HydrophobicContact CE2-CG2 3.59Å; F10-V86 HydrophobicContact CZ-CB 3.94Å; F10-V86 HydrophobicContact CZ-CG2 3.59Å; G11-V86 PolarHBondContact O-N 3.15Å; M12-V86 VanDerWaalsContact CA-O 3.23Å; M12-V86 WeakPolarHBondContact CA-O 3.28Å; M12-V86 HydrophobicContact CB-CB 4.49Å; M12-V86 HydrophobicContact CG-CB 4.27Å; M12-V86 HydrophobicContact CG-CG1 4.34Å; G13-V86 PolarHBondContact N-O 3.48Å; V86-E110 HydrophobicContact CG2-CB 4.25Å; V86-L144 HydrophobicContact CG1-CD1 4.1Å; V86-V154 HydrophobicContact CG1-CG1 4.31Å; V86-V154 HydrophobicContact CG2-CG1 3.77Å
87	G	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	176.2	175.6	0	0	0	0	0	110.8	G13 F111 Q112	G13-G87 WeakPolarHBondContact O-CA 3.43Å; G87-F111 CarbonylContact O-C 3.56Å; G87-F111 VanDerWaalsContact O-CA 3.29Å; G87-F111 WeakPolarHBondContact O-CA 3.37Å; G87-Q112 PolarHBondContact O-N 3.34Å
88	C	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.3	178.1	-168.1	0	0	0	0	111.2	P15 Q112 A140 L144	P15-C88 WeakPolarHBondContact CG-O 3.45Å; C88-Q112 WeakPolarHBondContact CA-O 3.03Å; C88-Q112 HydrophobicContact CB-CB 4Å; C88-A140 WeakPolarHBondContact CB-O 3.35Å; C88-A140 PolarHBondContact SG-O 3.28Å; C88-L144 HydrophobicContact CB-CB 3.86Å; C88-L144 HydrophobicContact CB-CD1 4.49Å
89	I	98.9	Very high	98.7	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	161	176.8	58.6	179.3	0	0	0	110	P15 K99 F111 Q112 I113 A114 T120 A140	P15-I89 HydrophobicContact CB-CG2 3.82Å; P15-I89 HydrophobicContact CG-CG2 3.49Å; P15-I89 VanDerWaalsContact CG-CG2 3.49Å; I89-K99 HydrophobicContact CD1-CB 4.48Å; I89-F111 HydrophobicContact CD1-CB 3.9Å; I89-F111 HydrophobicContact CD1-CD1 4.24Å; I89-F111 HydrophobicContact CD1-CD2 4.27Å; I89-F111 HydrophobicContact CD1-CG 3.89Å; I89-F111 HydrophobicContact CG1-CB 4.02Å; I89-F111 HydrophobicContact CG1-CD1 4.32Å; I89-F111 HydrophobicContact CG1-CG 4.27Å; I89-F111 HydrophobicContact CG2-CD1 3.82Å; I89-F111 HydrophobicContact CG2-CE1 4.04Å; I89-Q112 PolarHBondContact N-O 2.88Å; I89-I113 HydrophobicContact CD1-CD1 3.92Å; I89-I113 HydrophobicContact CG1-CD1 3.63Å; I89-I113 WeakPolarHBondContact O-CA 3.41Å; I89-A114 PolarHBondContact O-N 2.82Å; I89-T120 HydrophobicContact CG2-CG2 4.48Å; I89-A140 VanDerWaalsContact C-CB 3.43Å
90	G	98.7	Very high	98.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.187	C	C	.	.			trans	-80.2	162.5	171.7	0	0	0	0	0	112	D92 T120 A140	G90-D92 PolarHBondContact O-N 2.69Å; G90-T120 WeakPolarHBondContact CA-OG1 3.34Å; G90-T120 PolarHBondContact N-OG1 3.29Å; G90-A140 VanDerWaalsContact N-CB 3.33Å
91	A	98.6	Very high	98.8	Very high	50 Å²	50	37 Å²	37	41%	0.413	18%	0.182	S	C	.	.	S	Bend	trans	-77.3	51.3	173.4	0	0	0	0	0	112.2	I113 E116	A91-I113 HydrophobicContact CB-CG2 3.89Å; A91-E116 HydrophobicContact CB-CG 3.95Å
92	D	98.8	Very high	98.8	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	17%	0.165	C	C	.	.	S	Bend	trans	-131.9	176.4	-172	60.1	26.6	0	0	0	113.2	G90 Q94 G95 K96 M119 T120	G90-D92 PolarHBondContact O-N 2.69Å; D92-Q94 PolarHBondContact O-N 3.4Å; D92-Q94 PolarHBondContact OD1-N 3.23Å; D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 3.02Å; D92-K96 PolarHBondContact O-N 3.43Å; D92-M119 HydrophobicContact CB-CE 4.41Å; D92-M119 HydrophobicContact CB-SD 3.81Å; D92-M119 VanDerWaalsContact OD2-CA 3.32Å; D92-M119 WeakPolarHBondContact OD2-CA 3.2Å; D92-M119 WeakPolarHBondContact OD2-CB 3.28Å; D92-T120 WeakPolarHBondContact OD1-CB 3.38Å; D92-T120 PolarHBondContact OD1-OG1 3.09Å; D92-T120 PolarHBondContact OD2-N 3.12Å; D92-T120 PolarHBondContact OD2-OG1 3.46Å
93	I	98.5	Very high	98.8	Very high	125 Å²	125	36.2 Å²	36.2	64%	0.641	19%	0.187	S	C	*	.	H	α-helix	trans	-65.9	-29.3	-179.3	-171.6	60.2	0	0	0	111.8	K96 Y97	I93-K96 PolarHBondContact O-N 3.24Å; I93-Y97 WeakPolarHBondContact O-CB 3.37Å; I93-Y97 PolarHBondContact O-N 3.32Å
94	Q	98.5	Very high	98.7	Very high	73 Å²	73	40.1 Å²	40.1	34%	0.341	22%	0.219	S	C	.	.	H	α-helix	trans	-68.4	-45.8	177.4	-67.1	79	7.1	0	0	111	L17 D92 K96 Y97 I98 T120	L17-Q94 HydrophobicContact CD2-CB 3.89Å; L17-Q94 HydrophobicContact CD2-CG 3.41Å; L17-Q94 VanDerWaalsContact CD2-CG 3.41Å; D92-Q94 PolarHBondContact O-N 3.4Å; D92-Q94 PolarHBondContact OD1-N 3.23Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.39Å; Q94-Y97 WeakPolarHBondContact O-CB 3.48Å; Q94-Y97 PolarHBondContact O-N 2.91Å; Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 3.42Å; Q94-T120 HydrophobicContact CB-CG2 4.11Å
95	G	98.8	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-42.2	174.3	0	0	0	0	0	111.1	D92 Y97 I98 K99 T120	D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 3.02Å; G95-Y97 VanDerWaalsContact C-N 3.33Å; G95-Y97 PolarHBondContact O-N 3.22Å; G95-I98 PolarHBondContact O-N 2.99Å; G95-K99 WeakPolarHBondContact O-CB 3.22Å; G95-K99 PolarHBondContact O-N 3.04Å; G95-T120 VanDerWaalsContact CA-OG1 3.26Å; G95-T120 WeakPolarHBondContact CA-OG1 3.25Å; G95-T120 PolarHBondContact N-OG1 3.23Å; G95-T120 VanDerWaalsContact N-OG1 3.11Å
96	K	98.7	Very high	98.7	Very high	106 Å²	106	44.8 Å²	44.8	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-38.4	174.6	-173.6	53.9	172.9	153.1	0	112.6	D92 I93 Q94 N100	D92-K96 PolarHBondContact O-N 3.43Å; I93-K96 PolarHBondContact O-N 3.24Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.39Å; K96-N100 WeakPolarHBondContact CE-OD1 3.49Å; K96-N100 PolarHBondContact NZ-OD1 2.87Å; K96-N100 WeakPolarHBondContact O-CB 3.48Å; K96-N100 PolarHBondContact O-N 3.28Å; K96-N100 PolarHBondContact O-ND2 2.96Å
97	Y	98.7	Very high	98.7	Very high	101 Å²	101	45 Å²	45	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-50.3	175.1	178.9	-86.1	0	0	0	111.3	L17 Y60 A62 I93 Q94 G95 K99 N100 D101	L17-Y97 HydrophobicContact CD1-CD1 3.67Å; L17-Y97 HydrophobicContact CD1-CE1 3.96Å; Y60-Y97 PolarHBondContact O-OH 2.96Å; Y60-Y97 VanDerWaalsContact O-OH 3.11Å; A62-Y97 HydrophobicContact CB-CD1 4.42Å; A62-Y97 HydrophobicContact CB-CE1 4.14Å; I93-Y97 WeakPolarHBondContact O-CB 3.37Å; I93-Y97 PolarHBondContact O-N 3.32Å; Q94-Y97 WeakPolarHBondContact O-CB 3.48Å; Q94-Y97 PolarHBondContact O-N 2.91Å; G95-Y97 VanDerWaalsContact C-N 3.33Å; G95-Y97 PolarHBondContact O-N 3.22Å; Y97-K99 VanDerWaalsContact C-N 3.35Å; Y97-K99 PolarHBondContact O-N 3.31Å; Y97-N100 PolarHBondContact O-N 3.21Å; Y97-D101 PolarHBondContact O-N 2.98Å
98	I	98.8	Very high	98.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-45.3	178.3	-63.6	172.3	0	0	0	111	P15 L17 A62 L67 Q94 G95 N100 D101 C102 F111 T120	P15-I98 HydrophobicContact CB-CD1 4.37Å; P15-I98 HydrophobicContact CB-CG2 4.13Å; L17-I98 HydrophobicContact CB-CD1 4.5Å; A62-I98 HydrophobicContact CB-CB 4.42Å; A62-I98 HydrophobicContact CB-CG1 4.05Å; A62-I98 HydrophobicContact CB-CG2 4.42Å; L67-I98 HydrophobicContact CD2-CG2 3.73Å; Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 3.42Å; G95-I98 PolarHBondContact O-N 2.99Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 2.98Å; I98-D101 WeakPolarHBondContact O-CB 3.43Å; I98-D101 PolarHBondContact O-N 3.5Å; I98-C102 PolarHBondContact O-N 3.4Å; I98-C102 VanDerWaalsContact O-N 3.09Å; I98-C102 PolarHBondContact O-SG 2.55Å; I98-F111 HydrophobicContact CG2-CE1 4.42Å; I98-F111 HydrophobicContact CG2-CZ 4.08Å; I98-T120 HydrophobicContact CD1-CG2 3.68Å
99	K	98.8	Very high	98.7	Very high	86 Å²	86	48.2 Å²	48.2	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-42.9	178.2	-176.8	166.8	-175.8	165.1	0	112	I89 G95 Y97 C102 S103 F111	I89-K99 HydrophobicContact CD1-CB 4.48Å; G95-K99 WeakPolarHBondContact O-CB 3.22Å; G95-K99 PolarHBondContact O-N 3.04Å; Y97-K99 VanDerWaalsContact C-N 3.35Å; Y97-K99 PolarHBondContact O-N 3.31Å; K99-C102 PolarHBondContact O-N 3.46Å; K99-S103 PolarHBondContact O-N 3.02Å; K99-S103 VanDerWaalsContact O-N 3.1Å; K99-S103 PolarHBondContact O-OG 2.95Å; K99-S103 VanDerWaalsContact O-OG 3.11Å; K99-F111 HydrophobicContact CB-CD2 4.25Å; K99-F111 HydrophobicContact CB-CE2 4.09Å; K99-F111 HydrophobicContact CD-CD2 4.29Å; K99-F111 HydrophobicContact CG-CD2 4.12Å; K99-F111 HydrophobicContact CG-CE2 4.18Å
100	N	98.7	Very high	98.7	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-37.1	177.7	-70.1	-9.7	0	0	0	112.4	K96 Y97 I98 C102 S103 A104	K96-N100 WeakPolarHBondContact CE-OD1 3.49Å; K96-N100 PolarHBondContact NZ-OD1 2.87Å; K96-N100 WeakPolarHBondContact O-CB 3.48Å; K96-N100 PolarHBondContact O-N 3.28Å; K96-N100 PolarHBondContact O-ND2 2.96Å; Y97-N100 PolarHBondContact O-N 3.21Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 2.98Å; N100-C102 VanDerWaalsContact C-N 3.31Å; N100-C102 PolarHBondContact O-N 3.35Å; N100-S103 PolarHBondContact O-N 3.5Å; N100-A104 WeakPolarHBondContact O-CB 3.35Å; N100-A104 PolarHBondContact O-N 3.46Å
101	D	98.6	Very high	98.7	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-44.3	174.4	-170.4	72.9	0	0	0	111	A62 K71 Y97 I98 A104 L105	A62-D101 HydrophobicContact CB-CB 3.81Å; A62-D101 WeakPolarHBondContact CB-OD2 3.24Å; K71-D101 IonicContact NZ-OD2 2.69Å; K71-D101 PolarHBondContact NZ-OD2 3.21Å; K71-D101 VanDerWaalsContact NZ-OD2 3.15Å; Y97-D101 PolarHBondContact O-N 2.98Å; I98-D101 WeakPolarHBondContact O-CB 3.43Å; I98-D101 PolarHBondContact O-N 3.5Å; D101-A104 PolarHBondContact O-N 2.95Å; D101-L105 PolarHBondContact O-N 2.86Å
102	C	98.8	Very high	98.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-46.9	176.7	-59.9	0	0	0	0	111.9	I98 K99 N100 A104 L105 L107 T109	I98-C102 PolarHBondContact O-N 3.4Å; I98-C102 VanDerWaalsContact O-N 3.09Å; I98-C102 PolarHBondContact O-SG 2.55Å; K99-C102 PolarHBondContact O-N 3.46Å; N100-C102 VanDerWaalsContact C-N 3.31Å; N100-C102 PolarHBondContact O-N 3.35Å; C102-A104 VanDerWaalsContact C-N 3.27Å; C102-A104 PolarHBondContact O-N 3.32Å; C102-L105 PolarHBondContact O-N 3.23Å; C102-L105 VanDerWaalsContact O-N 3.07Å; C102-L107 HydrophobicContact CB-CB 4.25Å; C102-L107 HydrophobicContact CB-CD2 4.03Å; C102-L107 HydrophobicContact CB-CG 4.39Å; C102-L107 WeakPolarHBondContact O-CB 3.08Å; C102-L107 PolarHBondContact O-N 2.84Å; C102-L107 VanDerWaalsContact O-N 3.13Å; C102-T109 HydrophobicContact CB-CG2 3.51Å
103	S	98.5	Very high	98.7	Very high	66 Å²	66	54.1 Å²	54.1	46%	0.462	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-35.5	179	-61.3	0	0	0	0	112.4	K99 N100 L105 D106	K99-S103 PolarHBondContact O-N 3.02Å; K99-S103 VanDerWaalsContact O-N 3.1Å; K99-S103 PolarHBondContact O-OG 2.95Å; K99-S103 VanDerWaalsContact O-OG 3.11Å; N100-S103 PolarHBondContact O-N 3.5Å; S103-L105 PolarHBondContact O-N 2.94Å; S103-D106 PolarHBondContact O-N 3.26Å
104	A	98.3	Very high	98.7	Very high	82 Å²	82	48.4 Å²	48.4	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-68.5	-15.5	177.5	0	0	0	0	0	113.8	N100 D101 C102	N100-A104 WeakPolarHBondContact O-CB 3.35Å; N100-A104 PolarHBondContact O-N 3.46Å; D101-A104 PolarHBondContact O-N 2.95Å; C102-A104 VanDerWaalsContact C-N 3.27Å; C102-A104 PolarHBondContact O-N 3.32Å
105	L	98.5	Very high	98.7	Very high	31 Å²	31	53 Å²	53	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.9	176.9	-66.5	172.3	0	0	0	112.7	K71 Q74 D101 C102 S103 L107 L340	K71-L105 HydrophobicContact CB-CD1 3.88Å; K71-L105 HydrophobicContact CD-CD1 4.03Å; K71-L105 HydrophobicContact CG-CD1 4.08Å; Q74-L105 WeakPolarHBondContact CG-O 3.32Å; D101-L105 PolarHBondContact O-N 2.86Å; C102-L105 PolarHBondContact O-N 3.23Å; C102-L105 VanDerWaalsContact O-N 3.07Å; S103-L105 PolarHBondContact O-N 2.94Å; L105-L107 PolarHBondContact O-N 3.41Å; L105-L340 HydrophobicContact CD1-CD1 4.02Å; L105-L340 HydrophobicContact CD2-CD1 4.38Å
106	D	98.7	Very high	98.7	Very high	67 Å²	67	60 Å²	60	36%	0.358	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.1	-172.5	-57.2	-48.7	0	0	0	113.1	P80 F81 S103	P80-D106 HydrophobicContact CB-CB 3.84Å; F81-D106 WeakPolarHBondContact CA-O 3.46Å; F81-D106 HydrophobicContact CD1-CB 4.23Å; F81-D106 VanDerWaalsContact CD1-O 3.31Å; F81-D106 WeakPolarHBondContact CD1-O 3.44Å; F81-D106 HydrophobicContact CE1-CB 3.99Å; F81-D106 PolarHBondContact N-O 3.28Å; S103-D106 PolarHBondContact O-N 3.26Å
107	L	98.9	Very high	98.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	32%	0.324	C	S	.	.			trans	-86.5	122.5	174.3	176.5	61.8	0	0	0	109.7	L67 V70 K71 Q74 C83 C102 L105 T109	L67-L107 HydrophobicContact CD1-CD2 3.81Å; V70-L107 HydrophobicContact CG1-CD1 3.84Å; K71-L107 HydrophobicContact CB-CD2 4.08Å; Q74-L107 HydrophobicContact CG-CB 4.45Å; C83-L107 HydrophobicContact CB-CD1 3.41Å; C83-L107 VanDerWaalsContact CB-CD1 3.41Å; C102-L107 HydrophobicContact CB-CB 4.25Å; C102-L107 HydrophobicContact CB-CD2 4.03Å; C102-L107 HydrophobicContact CB-CG 4.39Å; C102-L107 WeakPolarHBondContact O-CB 3.08Å; C102-L107 PolarHBondContact O-N 2.84Å; C102-L107 VanDerWaalsContact O-N 3.13Å; L105-L107 PolarHBondContact O-N 3.41Å; L107-T109 HydrophobicContact CD2-CG2 4.28Å; L107-T109 HydrophobicContact CG-CG2 4.01Å
108	V	98.9	Very high	98.6	Very high	46 Å²	46	57.7 Å²	57.7	28%	0.279	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.5	172.1	178.9	0	0	0	0	108.8	F81 C83 S84 Y85 L157	F81-V108 HydrophobicContact CB-CG2 3.68Å; F81-V108 HydrophobicContact CD1-CG2 3.81Å; F81-V108 HydrophobicContact CG-CG2 4.09Å; C83-V108 PolarHBondContact O-N 3.11Å; S84-V108 CarbonylContact C-O 3.41Å; S84-V108 VanDerWaalsContact CA-O 3.27Å; S84-V108 WeakPolarHBondContact CA-O 3.37Å; Y85-V108 PolarHBondContact N-O 3.48Å; V108-L157 HydrophobicContact CG1-CD1 4.43Å; V108-L157 HydrophobicContact CG1-CD2 4.29Å
109	T	98.9	Very high	98.6	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.129	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.2	-178.9	62.3	0	0	0	0	112.6	Y85 C102 L107 F111	Y85-T109 VanDerWaalsContact O-CA 3.27Å; Y85-T109 WeakPolarHBondContact O-CA 3.37Å; C102-T109 HydrophobicContact CB-CG2 3.51Å; L107-T109 HydrophobicContact CD2-CG2 4.28Å; L107-T109 HydrophobicContact CG-CG2 4.01Å; T109-F111 VanDerWaalsContact CB-CE2 3.42Å; T109-F111 HydrophobicContact CG2-CD2 4.43Å; T109-F111 HydrophobicContact CG2-CE2 3.63Å; T109-F111 HydrophobicContact CG2-CZ 4.04Å; T109-F111 WeakPolarHBondContact OG1-CE2 3.24Å
110	E	98.9	Very high	98.6	Very high	67 Å²	67	57.6 Å²	57.6	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	87.1	167.2	-73.6	-64	170.6	0	0	109.6	Y85 V86 H148 H153 V154 L157	Y85-E110 PolarHBondContact O-N 3.12Å; V86-E110 HydrophobicContact CG2-CB 4.25Å; E110-H148 PolarHBondContact O-NE2 2.87Å; E110-H148 VanDerWaalsContact O-NE2 3.12Å; E110-H153 IonicContact OE1-CD2 3.6Å; E110-H153 IonicContact OE2-CD2 2.95Å; E110-H153 IonicContact OE2-NE2 3.57Å; E110-V154 HydrophobicContact CB-CG1 4.44Å; E110-V154 HydrophobicContact CB-CG2 4.07Å; E110-V154 HydrophobicContact CG-CG2 4.37Å; E110-L157 HydrophobicContact CB-CD1 4.16Å; E110-L157 HydrophobicContact CG-CD1 3.64Å
111	F	98.9	Very high	98.6	Very high	15 Å²	15	54 Å²	54	7%	0.066	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.8	179	-71.3	-73.3	0	0	0	111.1	P15 Y85 G87 I89 I98 K99 T109	P15-F111 HydrophobicContact CB-CE1 3.87Å; P15-F111 HydrophobicContact CG-CD1 4.29Å; P15-F111 HydrophobicContact CG-CE1 4.03Å; Y85-F111 AromaticContact CD1-CE1 3.94Å; Y85-F111 HydrophobicContact CD1-CE1 3.94Å; Y85-F111 HydrophobicContact CD1-CZ 4.11Å; Y85-F111 AromaticContact CE1-CE1 3.77Å; Y85-F111 HydrophobicContact CE1-CE1 3.77Å; Y85-F111 HydrophobicContact CE1-CZ 4.3Å; G87-F111 CarbonylContact O-C 3.56Å; G87-F111 VanDerWaalsContact O-CA 3.29Å; G87-F111 WeakPolarHBondContact O-CA 3.37Å; I89-F111 HydrophobicContact CD1-CB 3.9Å; I89-F111 HydrophobicContact CD1-CD1 4.24Å; I89-F111 HydrophobicContact CD1-CD2 4.27Å; I89-F111 HydrophobicContact CD1-CG 3.89Å; I89-F111 HydrophobicContact CG1-CB 4.02Å; I89-F111 HydrophobicContact CG1-CD1 4.32Å; I89-F111 HydrophobicContact CG1-CG 4.27Å; I89-F111 HydrophobicContact CG2-CD1 3.82Å; I89-F111 HydrophobicContact CG2-CE1 4.04Å; I98-F111 HydrophobicContact CG2-CE1 4.42Å; I98-F111 HydrophobicContact CG2-CZ 4.08Å; K99-F111 HydrophobicContact CB-CD2 4.25Å; K99-F111 HydrophobicContact CB-CE2 4.09Å; K99-F111 HydrophobicContact CD-CD2 4.29Å; K99-F111 HydrophobicContact CG-CD2 4.12Å; K99-F111 HydrophobicContact CG-CE2 4.18Å; T109-F111 VanDerWaalsContact CB-CE2 3.42Å; T109-F111 HydrophobicContact CG2-CD2 4.43Å; T109-F111 HydrophobicContact CG2-CE2 3.63Å; T109-F111 HydrophobicContact CG2-CZ 4.04Å; T109-F111 WeakPolarHBondContact OG1-CE2 3.24Å
112	Q	98.9	Very high	98.6	Very high	34 Å²	34	55 Å²	55	16%	0.159	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	145.1	159	-171	179.3	-22.2	0	0	108.6	G87 C88 I89 D143 S145 H148	G87-Q112 PolarHBondContact O-N 3.34Å; C88-Q112 WeakPolarHBondContact CA-O 3.03Å; C88-Q112 HydrophobicContact CB-CB 4Å; I89-Q112 PolarHBondContact N-O 2.88Å; Q112-D143 VanDerWaalsContact CD-O 3.3Å; Q112-D143 PolarHBondContact NE2-O 2.93Å; Q112-D143 PolarHBondContact OE1-O 3.4Å; Q112-S145 PolarHBondContact OE1-OG 2.79Å; Q112-H148 HydrophobicContact CB-CB 4.27Å; Q112-H148 HydrophobicContact CG-CB 4.17Å; Q112-H148 PolarHBondContact N-NE2 3.41Å; Q112-H148 VanDerWaalsContact OE1-CB 3.23Å
113	I	98.9	Very high	98.6	Very high	89 Å²	89	55.2 Å²	55.2	46%	0.456	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.6	172.1	-50.9	-57.8	0	0	0	107.6	I89 A91	I89-I113 HydrophobicContact CD1-CD1 3.92Å; I89-I113 HydrophobicContact CG1-CD1 3.63Å; I89-I113 WeakPolarHBondContact O-CA 3.41Å; A91-I113 HydrophobicContact CB-CG2 3.89Å
114	A	98.7	Very high	98.5	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.3	153.8	175.2	0	0	0	0	0	111.5	I89 L118 A140 D143	I89-A114 PolarHBondContact O-N 2.82Å; A114-L118 HydrophobicContact CB-CB 4.22Å; A114-L118 HydrophobicContact CB-CD2 4.05Å; A114-L118 HydrophobicContact CB-CG 4.33Å; A114-A140 HydrophobicContact CB-CB 3.55Å; A114-D143 HydrophobicContact CB-CB 4.06Å
115	E	98.3	Very high	98.3	Very high	169 Å²	169	48.2 Å²	48.2	79%	0.79	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-68.7	134.8	176.6	-68.7	-169.3	167.7	0	0	111.1	L118	E115-L118 VanDerWaalsContact O-CB 3.27Å; E115-L118 WeakPolarHBondContact O-CB 3.44Å; E115-L118 PolarHBondContact O-N 3.06Å
116	E	97.9	Very high	98.1	Very high	148 Å²	148	46.7 Å²	46.7	69%	0.692	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	141.9	176.2	-68.2	-178	129.3	0	0	110.8	A91	A91-E116 HydrophobicContact CB-CG 3.95Å
117	P	97.9	Very high	97.7	Very high	118 Å²	118	44.5 Å²	44.5	77%	0.766	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	cis	-97.4	25	12.3	39.7	-36.9	0	0	0	113.8	M119	P117-M119 WeakPolarHBondContact O-CE 3.49Å; P117-M119 PolarHBondContact O-N 2.87Å
118	L	98.5	Very high	97.1	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.215	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-69	117.9	-179.4	-170.8	60.5	0	0	0	110.7	A114 E115 A140 D143	A114-L118 HydrophobicContact CB-CB 4.22Å; A114-L118 HydrophobicContact CB-CD2 4.05Å; A114-L118 HydrophobicContact CB-CG 4.33Å; E115-L118 VanDerWaalsContact O-CB 3.27Å; E115-L118 WeakPolarHBondContact O-CB 3.44Å; E115-L118 PolarHBondContact O-N 3.06Å; L118-A140 HydrophobicContact CG-CB 4.34Å; L118-D143 HydrophobicContact CD2-CB 4.44Å; L118-D143 WeakPolarHBondContact CD2-OD1 3.21Å; L118-D143 WeakPolarHBondContact CD2-OD2 3.31Å
119	M	98.4	Very high	96.2	Very high	79 Å²	79	49.5 Å²	49.5	39%	0.389	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-89.9	157.5	-174.9	-61.3	-69.5	96.1	0	0	111.8	D92 P117 G121 A140	D92-M119 HydrophobicContact CB-CE 4.41Å; D92-M119 HydrophobicContact CB-SD 3.81Å; D92-M119 VanDerWaalsContact OD2-CA 3.32Å; D92-M119 WeakPolarHBondContact OD2-CA 3.2Å; D92-M119 WeakPolarHBondContact OD2-CB 3.28Å; P117-M119 WeakPolarHBondContact O-CE 3.49Å; P117-M119 PolarHBondContact O-N 2.87Å; M119-G121 PolarHBondContact O-N 2.93Å; M119-A140 WeakPolarHBondContact O-CB 3.23Å; M119-A140 PolarHBondContact O-N 2.78Å
120	T	98.8	Very high	94.9	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.031	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-51.6	136.1	173.3	-63.7	0	0	0	0	110.8	I89 G90 D92 Q94 G95 I98	I89-T120 HydrophobicContact CG2-CG2 4.48Å; G90-T120 WeakPolarHBondContact CA-OG1 3.34Å; G90-T120 PolarHBondContact N-OG1 3.29Å; D92-T120 WeakPolarHBondContact OD1-CB 3.38Å; D92-T120 PolarHBondContact OD1-OG1 3.09Å; D92-T120 PolarHBondContact OD2-N 3.12Å; D92-T120 PolarHBondContact OD2-OG1 3.46Å; Q94-T120 HydrophobicContact CB-CG2 4.11Å; G95-T120 VanDerWaalsContact CA-OG1 3.26Å; G95-T120 WeakPolarHBondContact CA-OG1 3.25Å; G95-T120 PolarHBondContact N-OG1 3.23Å; G95-T120 VanDerWaalsContact N-OG1 3.11Å; I98-T120 HydrophobicContact CD1-CG2 3.68Å
121	G	98.7	Very high	93.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	151.3	176.8	0	0	0	0	0	112.6	L16 L17 M119 Y137 L138	L16-G121 WeakPolarHBondContact CA-O 3.39Å; L17-G121 PolarHBondContact N-O 2.77Å; M119-G121 PolarHBondContact O-N 2.93Å; G121-Y137 CarbonylContact C-O 3.11Å; G121-Y137 VanDerWaalsContact CA-O 3.24Å; G121-Y137 WeakPolarHBondContact CA-O 3.45Å; G121-L138 WeakPolarHBondContact CA-O 3.44Å
122	K	98.5	Very high	93.1	Very high	66 Å²	66	53 Å²	53	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.4	-173.7	59.3	-173.2	174.9	-175.7	0	112.1	L17 I19 Y49 Y137	L17-K122 CarbonylContact O-C 3.51Å; L17-K122 VanDerWaalsContact O-CA 3.25Å; L17-K122 WeakPolarHBondContact O-CA 3.31Å; I19-K122 HydrophobicContact CD1-CB 4.2Å; I19-K122 HydrophobicContact CD1-CD 4.25Å; Y49-K122 HydrophobicContact CD1-CD 3.75Å; Y49-K122 HydrophobicContact CD1-CG 3.98Å; Y49-K122 HydrophobicContact CE1-CD 4.07Å; Y49-K122 HydrophobicContact CE1-CG 3.77Å; Y49-K122 HydrophobicContact CG-CD 4.13Å; Y49-K122 VanDerWaalsContact CG-CE 3.48Å; K122-Y137 HydrophobicContact CG-CD1 4.26Å; K122-Y137 PolarHBondContact N-O 3.2Å; K122-Y137 PolarHBondContact O-N 2.91Å
123	V	97.9	Very high	92.7	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	175.5	-172.2	0	0	0	0	108.6	L16 L17 D18 I19 V125 M134 V135 T136	L16-V123 HydrophobicContact CB-CG2 4.12Å; L16-V123 HydrophobicContact CD1-CG2 3.77Å; L17-V123 PolarHBondContact O-N 3.05Å; D18-V123 WeakPolarHBondContact OD1-CB 3.36Å; D18-V123 WeakPolarHBondContact OD1-CG2 3.38Å; I19-V123 PolarHBondContact N-O 2.72Å; V123-V125 HydrophobicContact CB-CG2 4.29Å; V123-V125 HydrophobicContact CG1-CG2 3.86Å; V123-V125 PolarHBondContact O-N 3.09Å; V123-M134 HydrophobicContact CG1-CB 3.83Å; V123-M134 HydrophobicContact CG1-CG 4.07Å; V123-M134 HydrophobicContact CG1-SD 4.35Å; V123-V135 WeakPolarHBondContact CA-O 3.29Å; V123-T136 HydrophobicContact CG2-CG2 4.18Å
124	A	97.4	Very high	92.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110	167.4	0	0	0	0	0	108	I48 Y49 I52 L126 M134 V135	I48-A124 HydrophobicContact CD1-CB 4.41Å; I48-A124 HydrophobicContact CG2-CB 4.23Å; Y49-A124 HydrophobicContact CD1-CB 4.15Å; Y49-A124 HydrophobicContact CE1-CB 3.77Å; I52-A124 HydrophobicContact CD1-CB 3.62Å; A124-L126 HydrophobicContact CB-CD1 3.86Å; A124-M134 WeakPolarHBondContact O-CA 3.27Å; A124-V135 HydrophobicContact CB-CB 4.27Å; A124-V135 PolarHBondContact N-O 3.17Å; A124-V135 PolarHBondContact O-N 2.9Å
125	V	95	Very high	92.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	96	-179.2	-174.4	0	0	0	0	108.6	D18 I19 I20 V21 V123 V127 M134	D18-V125 HydrophobicContact CB-CG2 4.07Å; I19-V125 PolarHBondContact O-N 3.38Å; I20-V125 HydrophobicContact CG1-CB 4.02Å; I20-V125 HydrophobicContact CG1-CG1 4.32Å; I20-V125 HydrophobicContact CG1-CG2 4.32Å; V21-V125 PolarHBondContact N-O 3.33Å; V123-V125 HydrophobicContact CB-CG2 4.29Å; V123-V125 HydrophobicContact CG1-CG2 3.86Å; V123-V125 PolarHBondContact O-N 3.09Å; V125-V127 HydrophobicContact CG1-CG2 4.34Å; V125-V127 PolarHBondContact O-N 3.43Å; V125-M134 HydrophobicContact CG1-CG 4.39Å; V125-M134 HydrophobicContact CG2-CG 4.27Å
126	L	94	Very high	92.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.7	-178.7	-80.6	72.6	0	0	0	109.9	V21 A23 M27 Y28 L33 I48 A124 R132 S133	V21-L126 HydrophobicContact CG1-CG 4.46Å; A23-L126 HydrophobicContact CB-CB 3.63Å; A23-L126 HydrophobicContact CB-CD2 3.85Å; A23-L126 HydrophobicContact CB-CG 3.73Å; M27-L126 HydrophobicContact CB-CD2 3.77Å; M27-L126 HydrophobicContact CE-CD2 4.27Å; Y28-L126 HydrophobicContact CE1-CB 4.24Å; Y28-L126 PolarHBondContact OH-O 2.88Å; L33-L126 HydrophobicContact CD1-CD2 4.04Å; I48-L126 HydrophobicContact CD1-CD1 3.7Å; I48-L126 HydrophobicContact CD1-CD2 4.1Å; I48-L126 HydrophobicContact CG1-CD1 4.46Å; A124-L126 HydrophobicContact CB-CD1 3.86Å; L126-R132 WeakPolarHBondContact O-CA 3.46Å; L126-S133 PolarHBondContact N-O 3.5Å; L126-S133 PolarHBondContact O-N 3.19Å
127	V	89.7	Confident	92.4	Very high	20 Å²	20	37.3 Å²	37.3	12%	0.121	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.3	-179.8	-173.9	0	0	0	0	110.1	I20 V21 A23 V125 R132	I20-V127 HydrophobicContact CG2-CG2 3.79Å; V21-V127 PolarHBondContact O-N 3.05Å; A23-V127 PolarHBondContact N-O 3.03Å; V125-V127 HydrophobicContact CG1-CG2 4.34Å; V125-V127 PolarHBondContact O-N 3.43Å; V127-R132 HydrophobicContact CG2-CG 4.31Å
128	S	86.3	Confident	92.4	Very high	14 Å²	14	32.8 Å²	32.8	10%	0.098	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	126.9	171	172.6	0	0	0	0	109.2	Y28 K130 L131	Y28-S128 WeakPolarHBondContact OH-CB 3.48Å; Y28-S128 PolarHBondContact OH-N 3.39Å; S128-K130 PolarHBondContact O-N 2.97Å; S128-L131 PolarHBondContact N-O 2.98Å; S128-L131 WeakPolarHBondContact O-CA 3.15Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.98Å; S128-L131 VanDerWaalsContact O-O 3.13Å
129	E	78.8	Confident	92.4	Very high	144 Å²	144	31.1 Å²	31.1	67%	0.673	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	38.8	176.9	-58	174.7	152.9	0	0	113.9	K35 L131	K35-E129 IonicContact NZ-OE2 2.74Å; K35-E129 PolarHBondContact NZ-OE2 3.42Å; E129-L131 PolarHBondContact O-N 3.22Å; E129-L131 VanDerWaalsContact O-N 3.16Å
130	K	72.7	Confident	92.4	Very high	108 Å²	108	27.3 Å²	27.3	47%	0.47	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-6.7	-172.9	-51.1	-178.8	174.8	-170.9	0	115.8	S128 D291 I294	S128-K130 PolarHBondContact O-N 2.97Å; K130-D291 PolarHBondContact NZ-O 2.68Å; K130-I294 PolarHBondContact NZ-O 3.03Å
131	L	77.7	Confident	92.4	Very high	58 Å²	58	27.1 Å²	27.1	30%	0.304	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	155.6	175.4	-54.2	167.7	0	0	0	110.2	K35 D36 S128 E129	K35-L131 HydrophobicContact CB-CB 4.12Å; K35-L131 HydrophobicContact CB-CD1 4.22Å; K35-L131 HydrophobicContact CD-CB 4.15Å; K35-L131 HydrophobicContact CD-CD1 3.51Å; K35-L131 HydrophobicContact CD-CG 4.48Å; K35-L131 HydrophobicContact CG-CD1 4.48Å; D36-L131 VanDerWaalsContact OD1-CA 3.32Å; D36-L131 WeakPolarHBondContact OD1-CA 3.48Å; D36-L131 WeakPolarHBondContact OD1-CB 3.46Å; D36-L131 WeakPolarHBondContact OD2-CD2 3.38Å; S128-L131 PolarHBondContact N-O 2.98Å; S128-L131 WeakPolarHBondContact O-CA 3.15Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.98Å; S128-L131 VanDerWaalsContact O-O 3.13Å; E129-L131 PolarHBondContact O-N 3.22Å; E129-L131 VanDerWaalsContact O-N 3.16Å
132	R	82.5	Confident	92.4	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.3	-170.3	-64.2	179.9	179.5	-151.1	-1.3	113.3	D36 N37 L126 V127 D296	D36-R132 WeakPolarHBondContact CA-O 3.23Å; D36-R132 PolarHBondContact N-O 2.89Å; D36-R132 PolarHBondContact OD1-N 3.23Å; N37-R132 PolarHBondContact N-O 3.36Å; L126-R132 WeakPolarHBondContact O-CA 3.46Å; V127-R132 HydrophobicContact CG2-CG 4.31Å; R132-D296 IonicContact CZ-OD1 2.71Å; R132-D296 IonicContact CZ-OD2 3.19Å; R132-D296 IonicContact NE-OD1 3.84Å; R132-D296 PolarHBondContact NE-OD1 3.32Å; R132-D296 IonicContact NH1-OD1 3.58Å; R132-D296 PolarHBondContact NH1-OD1 2.74Å; R132-D296 IonicContact NH1-OD2 3.38Å; R132-D296 PolarHBondContact NH1-OD2 2.95Å; R132-D296 VanDerWaalsContact NH2-CB 3.25Å; R132-D296 IonicContact NH2-OD1 3.72Å; R132-D296 PolarHBondContact NH2-OD1 3.48Å; R132-D296 IonicContact NH2-OD2 2.74Å; R132-D296 PolarHBondContact NH2-OD2 2.88Å
133	S	90.7	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.4	166.6	-157.6	0	0	0	0	109.6	L33 K34 L126	L33-S133 WeakPolarHBondContact CB-OG 3.24Å; K34-S133 VanDerWaalsContact O-CB 3.31Å; K34-S133 WeakPolarHBondContact O-CB 3.16Å; K34-S133 PolarHBondContact O-OG 2.76Å; L126-S133 PolarHBondContact N-O 3.5Å; L126-S133 PolarHBondContact O-N 3.19Å
134	M	93.6	Very high	92.5	Very high	26 Å²	26	29.8 Å²	29.8	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	-175.5	-70.7	-173.9	-93.4	0	0	110.2	N37 I38 V39 V123 A124 V125 N298	N37-M134 PolarHBondContact O-N 3.04Å; I38-M134 WeakPolarHBondContact CA-O 3.39Å; I38-M134 HydrophobicContact CB-CB 4.43Å; I38-M134 HydrophobicContact CD1-CE 3.6Å; I38-M134 HydrophobicContact CD1-SD 4.45Å; I38-M134 HydrophobicContact CG1-CB 4Å; I38-M134 HydrophobicContact CG1-CE 3.35Å; I38-M134 HydrophobicContact CG1-CG 4.5Å; I38-M134 HydrophobicContact CG1-SD 4.12Å; I38-M134 HydrophobicContact CG2-CB 4.42Å; V39-M134 PolarHBondContact N-O 2.86Å; V123-M134 HydrophobicContact CG1-CB 3.83Å; V123-M134 HydrophobicContact CG1-CG 4.07Å; V123-M134 HydrophobicContact CG1-SD 4.35Å; A124-M134 WeakPolarHBondContact O-CA 3.27Å; V125-M134 HydrophobicContact CG1-CG 4.39Å; V125-M134 HydrophobicContact CG2-CG 4.27Å; M134-N298 VanDerWaalsContact CE-OD1 3.23Å; M134-N298 WeakPolarHBondContact CE-OD1 3.47Å; M134-N298 PolarHBondContact SD-OD1 3.18Å
135	V	96.9	Very high	92.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.6	173.7	-174.4	0	0	0	0	108.7	L33 V39 A41 H45 I48 Y49 V123 A124	L33-V135 HydrophobicContact CD1-CG2 3.61Å; L33-V135 HydrophobicContact CD2-CG2 3.69Å; L33-V135 HydrophobicContact CG-CG2 4.31Å; V39-V135 HydrophobicContact CG2-CB 4.32Å; V39-V135 HydrophobicContact CG2-CG1 4.26Å; V39-V135 HydrophobicContact CG2-CG2 3.93Å; A41-V135 HydrophobicContact CB-CG1 3.93Å; H45-V135 HydrophobicContact CB-CG1 3.86Å; I48-V135 HydrophobicContact CD1-CB 4.43Å; I48-V135 HydrophobicContact CD1-CG2 3.88Å; I48-V135 HydrophobicContact CG2-CG1 4.37Å; Y49-V135 PolarHBondContact OH-O 3.47Å; V123-V135 WeakPolarHBondContact CA-O 3.29Å; A124-V135 HydrophobicContact CB-CB 4.27Å; A124-V135 PolarHBondContact N-O 3.17Å; A124-V135 PolarHBondContact O-N 2.9Å
136	T	97.5	Very high	92.7	Very high	15 Å²	15	33.2 Å²	33.2	9%	0.092	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.6	-170.5	-61.8	0	0	0	0	111.2	L16 V39 L40 A41 V123 L138	L16-T136 HydrophobicContact CD1-CG2 3.93Å; V39-T136 PolarHBondContact O-N 3.18Å; L40-T136 HydrophobicContact CD2-CG2 4.15Å; A41-T136 WeakPolarHBondContact CB-O 3.47Å; A41-T136 PolarHBondContact N-O 3.34Å; V123-T136 HydrophobicContact CG2-CG2 4.18Å; T136-L138 HydrophobicContact CG2-CD2 3.94Å; T136-L138 HydrophobicContact CG2-CG 4.33Å
137	Y	98.4	Very high	92.9	Very high	73 Å²	73	36.5 Å²	36.5	29%	0.286	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.9	166.3	175.1	-104.4	0	0	0	108.2	M46 Y49 G121 K122 G139	M46-Y137 HydrophobicContact CE-CD2 3.85Å; M46-Y137 HydrophobicContact CE-CE2 4.08Å; M46-Y137 HydrophobicContact SD-CD2 4.07Å; M46-Y137 HydrophobicContact SD-CE2 4.42Å; Y49-Y137 VanDerWaalsContact OH-CB 3.25Å; Y49-Y137 WeakPolarHBondContact OH-CB 3.31Å; Y49-Y137 PolarHBondContact OH-N 2.66Å; G121-Y137 CarbonylContact C-O 3.11Å; G121-Y137 VanDerWaalsContact CA-O 3.24Å; G121-Y137 WeakPolarHBondContact CA-O 3.45Å; K122-Y137 HydrophobicContact CG-CD1 4.26Å; K122-Y137 PolarHBondContact N-O 3.2Å; K122-Y137 PolarHBondContact O-N 2.91Å; Y137-G139 VanDerWaalsContact C-N 3.33Å; Y137-G139 PolarHBondContact O-N 3.28Å
138	L	98.4	Very high	93.4	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	20%	0.196	C	C	.	.			trans	-67.1	-33.1	-174.3	-69.1	172	0	0	0	112.7	N14 L16 L40 G121 T136 A140 A141 C142 T173	N14-L138 HydrophobicContact CB-CD2 4.41Å; L16-L138 HydrophobicContact CD2-CD2 4.42Å; L40-L138 HydrophobicContact CD2-CD1 4.06Å; L40-L138 HydrophobicContact CD2-CG 4.11Å; G121-L138 WeakPolarHBondContact CA-O 3.44Å; T136-L138 HydrophobicContact CG2-CD2 3.94Å; T136-L138 HydrophobicContact CG2-CG 4.33Å; L138-A140 PolarHBondContact O-N 3.05Å; L138-A141 VanDerWaalsContact O-CB 3.23Å; L138-A141 WeakPolarHBondContact O-CB 3.46Å; L138-A141 PolarHBondContact O-N 3.2Å; L138-C142 WeakPolarHBondContact CB-SG 3.34Å; L138-T173 HydrophobicContact CD1-CG2 3.94Å; L138-T173 HydrophobicContact CD2-CG2 4.4Å
139	G	98.4	Very high	94	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	50.6	-131.1	177.3	0	0	0	0	0	112.4	Y137 A141 C142	Y137-G139 VanDerWaalsContact C-N 3.33Å; Y137-G139 PolarHBondContact O-N 3.28Å; G139-A141 PolarHBondContact O-N 3.24Å; G139-C142 WeakPolarHBondContact O-CB 3.35Å; G139-C142 PolarHBondContact O-N 3.32Å
140	A	98.8	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-53.6	-23.6	178.1	0	0	0	0	0	114.7	C88 I89 G90 A114 L118 M119 L138 C142 D143	C88-A140 WeakPolarHBondContact CB-O 3.35Å; C88-A140 PolarHBondContact SG-O 3.28Å; I89-A140 VanDerWaalsContact C-CB 3.43Å; G90-A140 VanDerWaalsContact N-CB 3.33Å; A114-A140 HydrophobicContact CB-CB 3.55Å; L118-A140 HydrophobicContact CG-CB 4.34Å; M119-A140 WeakPolarHBondContact O-CB 3.23Å; M119-A140 PolarHBondContact O-N 2.78Å; L138-A140 PolarHBondContact O-N 3.05Å; A140-C142 PolarHBondContact O-N 3.12Å; A140-C142 VanDerWaalsContact O-N 3.16Å; A140-D143 PolarHBondContact O-N 3.23Å
141	A	98.8	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.4	177.7	0	0	0	0	0	112.7	N14 L16 L138 G139 D143 L144 T173	N14-A141 HydrophobicContact CB-CB 3.88Å; L16-A141 HydrophobicContact CD2-CB 4.21Å; L138-A141 VanDerWaalsContact O-CB 3.23Å; L138-A141 WeakPolarHBondContact O-CB 3.46Å; L138-A141 PolarHBondContact O-N 3.2Å; G139-A141 PolarHBondContact O-N 3.24Å; A141-D143 VanDerWaalsContact C-N 3.29Å; A141-D143 PolarHBondContact O-N 3.34Å; A141-L144 PolarHBondContact O-N 3.38Å; A141-T173 HydrophobicContact CB-CG2 4.5Å; A141-T173 WeakPolarHBondContact O-CB 3.29Å
142	C	98.6	Very high	97.2	Very high	59 Å²	59	34.2 Å²	34.2	40%	0.399	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.9	-23.5	175.3	-67	0	0	0	0	113.8	L138 G139 A140 L144	L138-C142 WeakPolarHBondContact CB-SG 3.34Å; G139-C142 WeakPolarHBondContact O-CB 3.35Å; G139-C142 PolarHBondContact O-N 3.32Å; A140-C142 PolarHBondContact O-N 3.12Å; A140-C142 VanDerWaalsContact O-N 3.16Å; C142-L144 PolarHBondContact O-N 3.23Å
143	D	98.7	Very high	97.9	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-82.9	0.1	-178.1	-82.3	18.9	0	0	0	112.6	Q112 A114 L118 A140 A141 S145	Q112-D143 VanDerWaalsContact CD-O 3.3Å; Q112-D143 PolarHBondContact NE2-O 2.93Å; Q112-D143 PolarHBondContact OE1-O 3.4Å; A114-D143 HydrophobicContact CB-CB 4.06Å; L118-D143 HydrophobicContact CD2-CB 4.44Å; L118-D143 WeakPolarHBondContact CD2-OD1 3.21Å; L118-D143 WeakPolarHBondContact CD2-OD2 3.31Å; A140-D143 PolarHBondContact O-N 3.23Å; A141-D143 VanDerWaalsContact C-N 3.29Å; A141-D143 PolarHBondContact O-N 3.34Å; D143-S145 PolarHBondContact O-N 3.43Å; D143-S145 VanDerWaalsContact O-N 3.09Å
144	L	98.9	Very high	98.3	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.213	C	C	.	.			trans	-58	117.8	173.4	-179.7	62.6	0	0	0	109.4	M12 V86 C88 A141 C142 C174	M12-L144 HydrophobicContact CE-CD2 4.45Å; M12-L144 HydrophobicContact CG-CD2 3.7Å; M12-L144 HydrophobicContact SD-CD2 3.95Å; V86-L144 HydrophobicContact CG1-CD1 4.1Å; C88-L144 HydrophobicContact CB-CB 3.86Å; C88-L144 HydrophobicContact CB-CD1 4.49Å; A141-L144 PolarHBondContact O-N 3.38Å; C142-L144 PolarHBondContact O-N 3.23Å; L144-C174 HydrophobicContact CB-CB 4.05Å; L144-C174 HydrophobicContact CD2-CB 3.82Å; L144-C174 HydrophobicContact CG-CB 3.78Å; L144-C174 VanDerWaalsContact O-CB 3.31Å; L144-C174 WeakPolarHBondContact O-CB 3.39Å; L144-C174 PolarHBondContact O-SG 3.13Å
145	S	98.8	Very high	98.6	Very high	33 Å²	33	38.8 Å²	38.8	23%	0.231	21%	0.214	C	C	.	.			trans	-117.8	153	-170	65.4	0	0	0	0	112.6	Q112 D143 A147 H148 I149	Q112-S145 PolarHBondContact OE1-OG 2.79Å; D143-S145 PolarHBondContact O-N 3.43Å; D143-S145 VanDerWaalsContact O-N 3.09Å; S145-A147 PolarHBondContact O-N 3.19Å; S145-H148 PolarHBondContact O-N 3.4Å; S145-H148 PolarHBondContact OG-N 2.96Å; S145-I149 WeakPolarHBondContact O-CG1 3.41Å; S145-I149 PolarHBondContact O-N 3.45Å
146	L	98.8	Very high	98.7	Very high	39 Å²	39	40.7 Å²	40.7	20%	0.204	23%	0.228	C	C	.	.	H	α-helix	trans	-57.4	-36.7	169	-173.6	62.3	0	0	0	111.9	H148 I149 E150 E176 K180	L146-H148 VanDerWaalsContact C-N 3.31Å; L146-H148 PolarHBondContact O-N 2.85Å; L146-I149 PolarHBondContact O-N 2.97Å; L146-I149 VanDerWaalsContact O-N 3.12Å; L146-E150 HydrophobicContact CD1-CG 4.08Å; L146-E150 HydrophobicContact CG-CG 4.07Å; L146-E150 WeakPolarHBondContact O-CB 3.37Å; L146-E150 WeakPolarHBondContact O-CG 3.2Å; L146-E150 PolarHBondContact O-N 3.24Å; L146-E176 HydrophobicContact CB-CG 4.04Å; L146-E176 WeakPolarHBondContact CB-OE1 3.45Å; L146-E176 PolarHBondContact N-OE1 3.43Å; L146-K180 HydrophobicContact CD1-CB 4.23Å; L146-K180 HydrophobicContact CD1-CD 3.73Å
147	A	98.8	Very high	98.7	Very high	69 Å²	69	40.3 Å²	40.3	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-59.2	-39.5	179.1	0	0	0	0	0	112.6	S145 Q151	S145-A147 PolarHBondContact O-N 3.19Å; A147-Q151 WeakPolarHBondContact O-CG 3.26Å; A147-Q151 PolarHBondContact O-N 2.71Å
148	H	98.8	Very high	98.8	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-46	173.4	-179.9	70.7	0	0	0	111.6	E110 Q112 S145 L146 E150 Q151 V154	E110-H148 PolarHBondContact O-NE2 2.87Å; E110-H148 VanDerWaalsContact O-NE2 3.12Å; Q112-H148 HydrophobicContact CB-CB 4.27Å; Q112-H148 HydrophobicContact CG-CB 4.17Å; Q112-H148 PolarHBondContact N-NE2 3.41Å; Q112-H148 VanDerWaalsContact OE1-CB 3.23Å; S145-H148 PolarHBondContact O-N 3.4Å; S145-H148 PolarHBondContact OG-N 2.96Å; L146-H148 VanDerWaalsContact C-N 3.31Å; L146-H148 PolarHBondContact O-N 2.85Å; H148-E150 VanDerWaalsContact C-N 3.27Å; H148-E150 PolarHBondContact O-N 3.34Å; H148-Q151 WeakPolarHBondContact O-CB 3.45Å; H148-Q151 WeakPolarHBondContact O-CG 3.38Å; H148-Q151 PolarHBondContact O-N 3.45Å; H148-Q151 VanDerWaalsContact O-N 3.15Å; H148-V154 WeakPolarHBondContact O-CB 3.32Å; H148-V154 WeakPolarHBondContact O-CG2 3.44Å
149	I	98.8	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-37.3	-178.8	-63.7	162.4	0	0	0	111.5	M12 S145 L146 Q151 W155 G177 I181	M12-I149 HydrophobicContact CE-CD1 4.27Å; M12-I149 HydrophobicContact SD-CD1 3.35Å; M12-I149 WeakPolarHBondContact SD-CD1 3.37Å; M12-I149 HydrophobicContact SD-CG1 3.96Å; S145-I149 WeakPolarHBondContact O-CG1 3.41Å; S145-I149 PolarHBondContact O-N 3.45Å; L146-I149 PolarHBondContact O-N 2.97Å; L146-I149 VanDerWaalsContact O-N 3.12Å; I149-Q151 VanDerWaalsContact C-N 3.29Å; I149-Q151 PolarHBondContact O-N 2.87Å; I149-W155 HydrophobicContact CG2-CE3 3.79Å; I149-W155 HydrophobicContact CG2-CZ3 3.78Å; I149-W155 PolarHBondContact O-N 3.07Å; I149-G177 VanDerWaalsContact CD1-CA 3.43Å; I149-I181 HydrophobicContact CG2-CD1 4.37Å
150	E	98.8	Very high	98.8	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.3	-179.8	-69.8	-173.2	146.8	0	0	114.2	L146 H148 K180	L146-E150 HydrophobicContact CD1-CG 4.08Å; L146-E150 HydrophobicContact CG-CG 4.07Å; L146-E150 WeakPolarHBondContact O-CB 3.37Å; L146-E150 WeakPolarHBondContact O-CG 3.2Å; L146-E150 PolarHBondContact O-N 3.24Å; H148-E150 VanDerWaalsContact C-N 3.27Å; H148-E150 PolarHBondContact O-N 3.34Å; E150-K180 HydrophobicContact CG-CD 4.1Å; E150-K180 VanDerWaalsContact OE1-CE 3.28Å; E150-K180 WeakPolarHBondContact OE1-CE 3.47Å; E150-K180 IonicContact OE1-NZ 3.67Å; E150-K180 PolarHBondContact OE1-NZ 3.3Å
151	Q	98.9	Very high	98.8	Very high	77 Å²	77	45.1 Å²	45.1	36%	0.36	25%	0.247	S	C	.	.	S	Bend	trans	-60.8	135.7	174.1	-65.9	-179.9	6.7	0	0	109.7	A147 H148 I149 H153 V154 W155	A147-Q151 WeakPolarHBondContact O-CG 3.26Å; A147-Q151 PolarHBondContact O-N 2.71Å; H148-Q151 WeakPolarHBondContact O-CB 3.45Å; H148-Q151 WeakPolarHBondContact O-CG 3.38Å; H148-Q151 PolarHBondContact O-N 3.45Å; H148-Q151 VanDerWaalsContact O-N 3.15Å; I149-Q151 VanDerWaalsContact C-N 3.29Å; I149-Q151 PolarHBondContact O-N 2.87Å; Q151-H153 VanDerWaalsContact C-N 3.27Å; Q151-H153 PolarHBondContact O-N 3.2Å; Q151-H153 VanDerWaalsContact O-N 3.08Å; Q151-H153 PolarHBondContact OE1-CE1 3.22Å; Q151-H153 PolarHBondContact OE1-NE2 3.27Å; Q151-V154 HydrophobicContact CB-CB 4.4Å; Q151-V154 HydrophobicContact CB-CG2 4.06Å; Q151-V154 PolarHBondContact O-N 3.21Å; Q151-W155 PolarHBondContact O-N 3Å
152	P	98.8	Very high	98.8	Very high	114 Å²	114	48.7 Å²	48.7	74%	0.74	26%	0.263	S	S	*	.	H	α-helix	trans	-54.4	-38.5	-171.6	-30.6	35.2	0	0	0	114.8	S156	P152-S156 WeakPolarHBondContact O-CB 3.45Å; P152-S156 PolarHBondContact O-N 3.46Å; P152-S156 VanDerWaalsContact O-N 3.07Å
153	H	98.7	Very high	98.8	Very high	92 Å²	92	46 Å²	46	43%	0.426	25%	0.245	S	C	.	.	H	α-helix	trans	-71	-34.1	179.1	63.6	-84.5	0	0	0	112.6	E110 Q151 S156	E110-H153 IonicContact OE1-CD2 3.6Å; E110-H153 IonicContact OE2-CD2 2.95Å; E110-H153 IonicContact OE2-NE2 3.57Å; Q151-H153 VanDerWaalsContact C-N 3.27Å; Q151-H153 PolarHBondContact O-N 3.2Å; Q151-H153 VanDerWaalsContact O-N 3.08Å; Q151-H153 PolarHBondContact OE1-CE1 3.22Å; Q151-H153 PolarHBondContact OE1-NE2 3.27Å; H153-S156 PolarHBondContact O-OG 2.92Å
154	V	98.8	Very high	98.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-75.1	-49.6	176.4	-174.3	0	0	0	0	110.7	V86 E110 H148 Q151 S156 L157	V86-V154 HydrophobicContact CG1-CG1 4.31Å; V86-V154 HydrophobicContact CG2-CG1 3.77Å; E110-V154 HydrophobicContact CB-CG1 4.44Å; E110-V154 HydrophobicContact CB-CG2 4.07Å; E110-V154 HydrophobicContact CG-CG2 4.37Å; H148-V154 WeakPolarHBondContact O-CB 3.32Å; H148-V154 WeakPolarHBondContact O-CG2 3.44Å; Q151-V154 HydrophobicContact CB-CB 4.4Å; Q151-V154 HydrophobicContact CB-CG2 4.06Å; Q151-V154 PolarHBondContact O-N 3.21Å; V154-S156 PolarHBondContact O-N 3.2Å; V154-L157 VanDerWaalsContact O-CB 3.26Å; V154-L157 WeakPolarHBondContact O-CB 3.33Å; V154-L157 PolarHBondContact O-N 3.18Å
155	W	98.9	Very high	98.8	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-30.2	179.4	-166.6	-105.1	0	0	0	112.2	I149 Q151 L157 V158 E159 K180 I181 H184	I149-W155 HydrophobicContact CG2-CE3 3.79Å; I149-W155 HydrophobicContact CG2-CZ3 3.78Å; I149-W155 PolarHBondContact O-N 3.07Å; Q151-W155 PolarHBondContact O-N 3Å; W155-L157 PolarHBondContact O-N 2.99Å; W155-L157 VanDerWaalsContact O-N 3.15Å; W155-V158 HydrophobicContact CD2-CB 4.2Å; W155-V158 HydrophobicContact CD2-CG1 4.46Å; W155-V158 HydrophobicContact CE3-CB 4.07Å; W155-V158 HydrophobicContact CE3-CG1 4.25Å; W155-V158 HydrophobicContact CE3-CG2 3.96Å; W155-V158 HydrophobicContact CH2-CG1 3.86Å; W155-V158 HydrophobicContact CZ2-CG1 4.09Å; W155-V158 HydrophobicContact CZ3-CB 4.26Å; W155-V158 HydrophobicContact CZ3-CG1 3.96Å; W155-V158 HydrophobicContact CZ3-CG2 4.14Å; W155-V158 CarbonylContact O-C 3.58Å; W155-V158 WeakPolarHBondContact O-CA 3.44Å; W155-V158 VanDerWaalsContact O-CB 3.32Å; W155-V158 WeakPolarHBondContact O-CB 3.38Å; W155-V158 PolarHBondContact O-N 2.78Å; W155-E159 PolarHBondContact O-N 2.79Å; W155-K180 HydrophobicContact CH2-CD 3.77Å; W155-K180 HydrophobicContact CH2-CG 3.74Å; W155-K180 HydrophobicContact CZ3-CD 3.75Å; W155-K180 HydrophobicContact CZ3-CG 4.11Å; W155-I181 HydrophobicContact CH2-CG1 4.41Å; W155-I181 HydrophobicContact CZ3-CG1 4.04Å; W155-H184 HydrophobicContact CH2-CB 4.25Å; W155-H184 HydrophobicContact CZ2-CB 4.14Å
156	S	98.8	Very high	98.8	Very high	40 Å²	40	41.1 Å²	41.1	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-57.5	-29.6	173.4	82.9	0	0	0	0	113.4	P152 H153 V154 K160	P152-S156 WeakPolarHBondContact O-CB 3.45Å; P152-S156 PolarHBondContact O-N 3.46Å; P152-S156 VanDerWaalsContact O-N 3.07Å; H153-S156 PolarHBondContact O-OG 2.92Å; V154-S156 PolarHBondContact O-N 3.2Å; S156-K160 WeakPolarHBondContact O-CE 3.46Å; S156-K160 WeakPolarHBondContact O-CG 3.36Å; S156-K160 PolarHBondContact O-N 3.45Å; S156-K160 VanDerWaalsContact O-N 3.11Å
157	L	98.9	Very high	98.8	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-37	174.4	-55.3	-177.8	0	0	0	111.3	F10 V108 E110 V154 W155 K160 A161	F10-L157 HydrophobicContact CD2-CB 3.9Å; F10-L157 HydrophobicContact CE2-CB 3.92Å; V108-L157 HydrophobicContact CG1-CD1 4.43Å; V108-L157 HydrophobicContact CG1-CD2 4.29Å; E110-L157 HydrophobicContact CB-CD1 4.16Å; E110-L157 HydrophobicContact CG-CD1 3.64Å; V154-L157 VanDerWaalsContact O-CB 3.26Å; V154-L157 WeakPolarHBondContact O-CB 3.33Å; V154-L157 PolarHBondContact O-N 3.18Å; W155-L157 PolarHBondContact O-N 2.99Å; W155-L157 VanDerWaalsContact O-N 3.15Å; L157-K160 HydrophobicContact CD2-CD 4.32Å; L157-K160 WeakPolarHBondContact O-CG 3.37Å; L157-A161 WeakPolarHBondContact O-CB 3.07Å; L157-A161 PolarHBondContact O-N 2.85Å
158	V	98.9	Very high	98.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-42.9	174.4	179.5	0	0	0	0	110.4	F10 W155 Y164 I181 K190	F10-V158 HydrophobicContact CD2-CG2 4.22Å; F10-V158 HydrophobicContact CE1-CG2 4.07Å; F10-V158 HydrophobicContact CE2-CG2 3.73Å; F10-V158 HydrophobicContact CZ-CG2 3.64Å; W155-V158 HydrophobicContact CD2-CB 4.2Å; W155-V158 HydrophobicContact CD2-CG1 4.46Å; W155-V158 HydrophobicContact CE3-CB 4.07Å; W155-V158 HydrophobicContact CE3-CG1 4.25Å; W155-V158 HydrophobicContact CE3-CG2 3.96Å; W155-V158 HydrophobicContact CH2-CG1 3.86Å; W155-V158 HydrophobicContact CZ2-CG1 4.09Å; W155-V158 HydrophobicContact CZ3-CB 4.26Å; W155-V158 HydrophobicContact CZ3-CG1 3.96Å; W155-V158 HydrophobicContact CZ3-CG2 4.14Å; W155-V158 CarbonylContact O-C 3.58Å; W155-V158 WeakPolarHBondContact O-CA 3.44Å; W155-V158 VanDerWaalsContact O-CB 3.32Å; W155-V158 WeakPolarHBondContact O-CB 3.38Å; W155-V158 PolarHBondContact O-N 2.78Å; V158-Y164 HydrophobicContact CG1-CE1 3.93Å; V158-Y164 PolarHBondContact O-OH 3Å; V158-I181 HydrophobicContact CG1-CG1 4.15Å; V158-I181 HydrophobicContact CG1-CG2 4.22Å; V158-I181 HydrophobicContact CG2-CD1 4.37Å; V158-I181 HydrophobicContact CG2-CG1 4.21Å; V158-K190 PolarHBondContact O-NZ 3.06Å
159	E	98.8	Very high	98.8	Very high	109 Å²	109	37.3 Å²	37.3	51%	0.509	19%	0.185	S	C	.	.	H	α-helix	trans	-65.5	-44.2	-178.7	-71.3	-178.5	133.9	0	0	112.9	W155 K190	W155-E159 PolarHBondContact O-N 2.79Å; E159-K190 PolarHBondContact O-NZ 2.94Å
160	K	98.6	Very high	98.8	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	19%	0.185	S	C	.	.	H	α-helix	trans	-70.4	-31.1	-179.1	73.9	-176.2	68.4	174.4	0	113.3	S156 L157 Q162	S156-K160 WeakPolarHBondContact O-CE 3.46Å; S156-K160 WeakPolarHBondContact O-CG 3.36Å; S156-K160 PolarHBondContact O-N 3.45Å; S156-K160 VanDerWaalsContact O-N 3.11Å; L157-K160 HydrophobicContact CD2-CD 4.32Å; L157-K160 WeakPolarHBondContact O-CG 3.37Å; K160-Q162 PolarHBondContact O-NE2 3.43Å
161	A	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.			trans	-65.6	146.4	-178.5	0	0	0	0	0	112.4	G7 F10 L157 Y164 K190	G7-A161 WeakPolarHBondContact O-CA 3.34Å; G7-A161 VanDerWaalsContact O-CB 3.25Å; G7-A161 WeakPolarHBondContact O-CB 3.31Å; G7-A161 PolarHBondContact O-N 3.29Å; F10-A161 HydrophobicContact CB-CB 3.53Å; L157-A161 WeakPolarHBondContact O-CB 3.07Å; L157-A161 PolarHBondContact O-N 2.85Å; A161-Y164 HydrophobicContact CB-CE1 3.86Å; A161-Y164 PolarHBondContact O-OH 3.24Å; A161-K190 VanDerWaalsContact O-CD 3.28Å; A161-K190 WeakPolarHBondContact O-CD 3.27Å; A161-K190 WeakPolarHBondContact O-CE 3.49Å; A161-K190 PolarHBondContact O-NZ 3.24Å
162	Q	98.9	Very high	98.7	Very high	74 Å²	74	32.5 Å²	32.5	35%	0.346	17%	0.165	S	C	.	.	S	Bend	trans	-112.5	-12.6	174.8	-55	-54.1	-49.1	0	0	112.1	Y8 K160 K190 L191	Y8-Q162 HydrophobicContact CD1-CB 4.37Å; Y8-Q162 HydrophobicContact CD2-CB 4.08Å; Y8-Q162 HydrophobicContact CD2-CG 3.8Å; Y8-Q162 HydrophobicContact CE1-CB 3.97Å; Y8-Q162 HydrophobicContact CE2-CB 3.66Å; Y8-Q162 HydrophobicContact CE2-CG 3.46Å; Y8-Q162 VanDerWaalsContact CE2-CG 3.46Å; Y8-Q162 HydrophobicContact CG-CB 4.43Å; Y8-Q162 PolarHBondContact O-N 3.44Å; K160-Q162 PolarHBondContact O-NE2 3.43Å; Q162-K190 WeakPolarHBondContact O-CB 3.3Å; Q162-L191 PolarHBondContact O-N 2.93Å
163	V	98.9	Very high	98.7	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.5	-179.4	179.8	0	0	0	0	108.6	Y8 V9 F10 L191 I309 I313	Y8-V163 HydrophobicContact CD1-CG2 3.97Å; Y8-V163 HydrophobicContact CE1-CG2 3.57Å; Y8-V163 PolarHBondContact O-N 3.04Å; V9-V163 CarbonylContact C-O 3.57Å; V9-V163 WeakPolarHBondContact CA-O 3.31Å; V9-V163 HydrophobicContact CG1-CG1 4.39Å; V9-V163 HydrophobicContact CG2-CB 4.21Å; F10-V163 PolarHBondContact N-O 3.01Å; V163-L191 CarbonylContact C-O 3.3Å; V163-L191 VanDerWaalsContact CA-O 3.32Å; V163-L191 WeakPolarHBondContact CA-O 3.38Å; V163-L191 HydrophobicContact CG1-CD2 4.16Å; V163-L191 HydrophobicContact CG2-CB 4.2Å; V163-L191 HydrophobicContact CG2-CD2 4.22Å; V163-I309 HydrophobicContact CG1-CG2 4.05Å; V163-I313 HydrophobicContact CB-CG2 4.5Å; V163-I313 HydrophobicContact CG1-CG2 4.12Å; V163-I313 HydrophobicContact CG2-CB 4.19Å; V163-I313 HydrophobicContact CG2-CD1 4.41Å; V163-I313 HydrophobicContact CG2-CG2 3.62Å
164	Y	99	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.7	176.5	-53.9	-81	0	0	0	109.9	F10 V158 A161 I181 H184 S185 K190 L191 F192 C193	F10-Y164 HydrophobicContact CB-CD1 3.82Å; F10-Y164 HydrophobicContact CB-CE1 4.07Å; F10-Y164 AromaticContact CD1-CD1 3.86Å; F10-Y164 HydrophobicContact CD1-CD1 3.86Å; F10-Y164 HydrophobicContact CD1-CE1 4.37Å; F10-Y164 HydrophobicContact CG-CD1 4.18Å; F10-Y164 HydrophobicContact CG-CE1 4.41Å; F10-Y164 CarbonylContact O-C 3.59Å; F10-Y164 VanDerWaalsContact O-CA 3.24Å; F10-Y164 WeakPolarHBondContact O-CA 3.09Å; V158-Y164 HydrophobicContact CG1-CE1 3.93Å; V158-Y164 PolarHBondContact O-OH 3Å; A161-Y164 HydrophobicContact CB-CE1 3.86Å; A161-Y164 PolarHBondContact O-OH 3.24Å; Y164-I181 HydrophobicContact CD1-CG2 3.62Å; Y164-I181 HydrophobicContact CE1-CG2 3.94Å; Y164-I181 HydrophobicContact CG-CG2 4.05Å; Y164-H184 PolarHBondContact OH-CD2 3.26Å; Y164-H184 VanDerWaalsContact OH-CD2 3.28Å; Y164-H184 PolarHBondContact OH-NE2 3.09Å; Y164-S185 VanDerWaalsContact CD2-OG 3.27Å; Y164-S185 WeakPolarHBondContact CD2-OG 3.32Å; Y164-S185 WeakPolarHBondContact CE2-OG 3.46Å; Y164-K190 HydrophobicContact CD2-CB 4.4Å; Y164-K190 HydrophobicContact CE2-CB 3.75Å; Y164-K190 HydrophobicContact CE2-CD 3.57Å; Y164-K190 HydrophobicContact CE2-CG 4.33Å; Y164-K190 WeakPolarHBondContact OH-CD 3.08Å; Y164-K190 PolarHBondContact OH-NZ 3.46Å; Y164-L191 PolarHBondContact N-O 3.34Å; Y164-F192 HydrophobicContact CD2-CD2 4.15Å; Y164-F192 HydrophobicContact CG-CD2 4.09Å; Y164-C193 WeakPolarHBondContact O-CA 3.35Å; Y164-C193 VanDerWaalsContact O-CB 3.25Å; Y164-C193 WeakPolarHBondContact O-CB 3.22Å; Y164-C193 PolarHBondContact O-N 2.61Å
165	Y	99	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.6	166	-177	-95.2	0	0	0	109.9	F10 G11 T66 T69 V70 C193 N195 F220 A305 I309	F10-Y165 PolarHBondContact O-N 2.97Å; G11-Y165 WeakPolarHBondContact CA-O 3.11Å; T66-Y165 HydrophobicContact CG2-CD1 3.95Å; T66-Y165 VanDerWaalsContact CG2-O 3.23Å; T66-Y165 WeakPolarHBondContact CG2-O 3.37Å; T69-Y165 HydrophobicContact CG2-CD1 3.57Å; T69-Y165 HydrophobicContact CG2-CD2 4.1Å; T69-Y165 HydrophobicContact CG2-CE1 3.46Å; T69-Y165 VanDerWaalsContact CG2-CE1 3.46Å; T69-Y165 HydrophobicContact CG2-CE2 3.98Å; T69-Y165 HydrophobicContact CG2-CG 3.89Å; T69-Y165 WeakPolarHBondContact OG1-CE1 3.2Å; T69-Y165 PolarHBondContact OG1-OH 2.96Å; V70-Y165 HydrophobicContact CG2-CD1 4.48Å; Y165-C193 WeakPolarHBondContact CA-O 3.29Å; Y165-C193 HydrophobicContact CD2-CB 3.8Å; Y165-N195 HydrophobicContact CE2-CB 4.35Å; Y165-N195 WeakPolarHBondContact OH-CB 3.11Å; Y165-N195 PolarHBondContact OH-ND2 3.43Å; Y165-N195 VanDerWaalsContact OH-ND2 3.11Å; Y165-F220 HydrophobicContact CE2-CD2 4.15Å; Y165-F220 HydrophobicContact CE2-CE2 4.38Å; Y165-A305 HydrophobicContact CE2-CB 3.74Å; Y165-I309 HydrophobicContact CD2-CD1 3.44Å; Y165-I309 VanDerWaalsContact CD2-CD1 3.44Å; Y165-I309 HydrophobicContact CE2-CD1 4.06Å; Y165-I309 HydrophobicContact CG-CD1 4.15Å
166	I	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.4	176	-57.3	-176.6	0	0	0	108.6	M12 V170 M178 I181 F192 C193 F194	M12-I166 HydrophobicContact CB-CD1 4.19Å; M12-I166 HydrophobicContact CB-CG1 4.41Å; M12-I166 HydrophobicContact CE-CD1 4.19Å; I166-V170 HydrophobicContact CG2-CB 3.84Å; I166-V170 HydrophobicContact CG2-CG1 4.29Å; I166-V170 HydrophobicContact CG2-CG2 3.73Å; I166-M178 HydrophobicContact CB-CE 4.5Å; I166-M178 HydrophobicContact CD1-CB 3.89Å; I166-M178 HydrophobicContact CG2-CB 4.07Å; I166-M178 HydrophobicContact CG2-CE 3.66Å; I166-M178 HydrophobicContact CG2-SD 4.41Å; I166-I181 HydrophobicContact CD1-CB 4.46Å; I166-I181 HydrophobicContact CD1-CD1 4.18Å; I166-I181 HydrophobicContact CD1-CG2 4.31Å; I166-F192 HydrophobicContact CB-CZ 4.19Å; I166-F192 HydrophobicContact CD1-CE2 4.01Å; I166-F192 HydrophobicContact CD1-CZ 3.98Å; I166-F192 HydrophobicContact CG1-CE2 4.41Å; I166-F192 HydrophobicContact CG1-CZ 4.21Å; I166-C193 PolarHBondContact N-O 3.37Å; I166-C193 VanDerWaalsContact N-O 3.13Å; I166-F194 WeakPolarHBondContact O-CD2 3.17Å
167	A	98.7	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.9	172.5	0	0	0	0	0	111.3	A65 T66 F169 V170 S197	A65-A167 HydrophobicContact CB-CB 3.95Å; T66-A167 WeakPolarHBondContact OG1-CB 3.24Å; T66-A167 PolarHBondContact OG1-N 3.37Å; T66-A167 VanDerWaalsContact OG1-N 3.09Å; A167-F169 HydrophobicContact CB-CD2 4.42Å; A167-F169 PolarHBondContact O-N 3Å; A167-F169 VanDerWaalsContact O-N 3.11Å; A167-V170 WeakPolarHBondContact O-CB 3.15Å; A167-V170 WeakPolarHBondContact O-CG2 3.47Å; A167-V170 PolarHBondContact O-N 2.84Å; A167-V170 VanDerWaalsContact O-N 3.08Å; A167-S197 WeakPolarHBondContact CB-OG 3.46Å
168	G	98.5	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-54.7	-24.3	172.2	0	0	0	0	0	114.2	V170 I171 N195 S197	G168-V170 PolarHBondContact O-N 3.16Å; G168-I171 VanDerWaalsContact O-CB 3.22Å; G168-I171 WeakPolarHBondContact O-CB 3.42Å; G168-I171 VanDerWaalsContact O-CG1 3.23Å; G168-I171 WeakPolarHBondContact O-CG1 3.38Å; G168-I171 PolarHBondContact O-N 3.22Å; G168-N195 WeakPolarHBondContact CA-O 3.43Å; G168-N195 PolarHBondContact N-O 3.11Å; G168-S197 PolarHBondContact N-OG 2.87Å
169	F	98	Very high	98.7	Very high	41 Å²	41	27.9 Å²	27.9	18%	0.18	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57	-19.1	173.5	-69.6	-55.1	0	0	0	114.6	N14 I38 A65 A167 I171 S197 A198 F200 L201	N14-F169 PolarHBondContact ND2-O 3.05Å; N14-F169 VanDerWaalsContact ND2-O 3.08Å; I38-F169 HydrophobicContact CD1-CZ 4.36Å; A65-F169 HydrophobicContact CB-CD2 3.78Å; A65-F169 HydrophobicContact CB-CE2 4.09Å; A167-F169 HydrophobicContact CB-CD2 4.42Å; A167-F169 PolarHBondContact O-N 3Å; A167-F169 VanDerWaalsContact O-N 3.11Å; F169-I171 PolarHBondContact O-N 2.85Å; F169-S197 VanDerWaalsContact CZ-O 3.25Å; F169-S197 WeakPolarHBondContact CZ-O 3.26Å; F169-A198 HydrophobicContact CE1-CB 3.59Å; F169-A198 HydrophobicContact CZ-CB 3.86Å; F169-F200 HydrophobicContact CD1-CZ 4.09Å; F169-F200 AromaticContact CE1-CE1 3.9Å; F169-F200 HydrophobicContact CE1-CE1 3.9Å; F169-F200 AromaticContact CE1-CZ 3.94Å; F169-F200 HydrophobicContact CE1-CZ 3.94Å; F169-L201 HydrophobicContact CD1-CD1 4.08Å; F169-L201 HydrophobicContact CE1-CD1 4.44Å
170	V	98.7	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-75.5	-15.8	177.5	-173.1	0	0	0	0	112.3	M12 I166 A167 G168 N172 T173 C174 M178	M12-V170 HydrophobicContact CE-CG1 3.62Å; M12-V170 WeakPolarHBondContact O-CG2 3.49Å; I166-V170 HydrophobicContact CG2-CB 3.84Å; I166-V170 HydrophobicContact CG2-CG1 4.29Å; I166-V170 HydrophobicContact CG2-CG2 3.73Å; A167-V170 WeakPolarHBondContact O-CB 3.15Å; A167-V170 WeakPolarHBondContact O-CG2 3.47Å; A167-V170 PolarHBondContact O-N 2.84Å; A167-V170 VanDerWaalsContact O-N 3.08Å; G168-V170 PolarHBondContact O-N 3.16Å; V170-N172 PolarHBondContact O-N 3.5Å; V170-T173 PolarHBondContact O-N 2.78Å; V170-T173 PolarHBondContact O-OG1 3.15Å; V170-C174 HydrophobicContact CG1-CB 4.4Å; V170-C174 CarbonylContact O-C 3.56Å; V170-C174 PolarHBondContact O-N 3.27Å; V170-M178 HydrophobicContact CB-SD 3.86Å; V170-M178 HydrophobicContact CG1-CB 4.37Å; V170-M178 HydrophobicContact CG1-SD 4.05Å
171	I	98.8	Very high	98.8	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.062	10%	0.103	C	C	.	.	H	α-helix	trans	-56	-37.1	173	-67.7	170.3	0	0	0	110.7	G168 F169 T173 Y175 M178 F194 L201 N205 E208 V209	G168-I171 VanDerWaalsContact O-CB 3.22Å; G168-I171 WeakPolarHBondContact O-CB 3.42Å; G168-I171 VanDerWaalsContact O-CG1 3.23Å; G168-I171 WeakPolarHBondContact O-CG1 3.38Å; G168-I171 PolarHBondContact O-N 3.22Å; F169-I171 PolarHBondContact O-N 2.85Å; I171-T173 VanDerWaalsContact C-N 3.34Å; I171-T173 PolarHBondContact O-N 2.73Å; I171-Y175 HydrophobicContact CG1-CD2 4.17Å; I171-Y175 HydrophobicContact CG2-CD2 4.37Å; I171-M178 HydrophobicContact CG1-CE 4.18Å; I171-M178 HydrophobicContact CG1-SD 3.8Å; I171-F194 HydrophobicContact CD1-CZ 4.22Å; I171-L201 HydrophobicContact CB-CD2 4.3Å; I171-N205 HydrophobicContact CG2-CB 3.9Å; I171-E208 HydrophobicContact CD1-CB 4.07Å; I171-E208 HydrophobicContact CG1-CB 4.28Å; I171-E208 HydrophobicContact CG2-CB 3.63Å; I171-E208 HydrophobicContact CG2-CG 3.93Å; I171-V209 HydrophobicContact CD1-CG2 3.76Å
172	N	98.1	Very high	98.8	Very high	57 Å²	57	21.8 Å²	21.8	31%	0.305	10%	0.103	S	C	.	.	H	α-helix	trans	-83.5	-4.6	-178.8	-56.7	134.8	0	0	0	114.6	V170 F200 L201 N205	V170-N172 PolarHBondContact O-N 3.5Å; N172-F200 WeakPolarHBondContact OD1-CE2 3.47Å; N172-L201 WeakPolarHBondContact OD1-CD2 3.14Å; N172-N205 PolarHBondContact ND2-OD1 3.02Å; N172-N205 VanDerWaalsContact ND2-OD1 3.14Å
173	T	98.7	Very high	98.8	Very high	18 Å²	18	22.7 Å²	22.7	11%	0.11	11%	0.106	C	C	.	.	H	α-helix	trans	-119.1	-51.9	-178	52.9	0	0	0	0	112.5	N14 L138 A141 V170 I171	N14-T173 WeakPolarHBondContact OD1-CB 3.47Å; N14-T173 VanDerWaalsContact OD1-CG2 3.28Å; N14-T173 WeakPolarHBondContact OD1-CG2 3.34Å; N14-T173 PolarHBondContact OD1-OG1 3.48Å; L138-T173 HydrophobicContact CD1-CG2 3.94Å; L138-T173 HydrophobicContact CD2-CG2 4.4Å; A141-T173 HydrophobicContact CB-CG2 4.5Å; A141-T173 WeakPolarHBondContact O-CB 3.29Å; V170-T173 PolarHBondContact O-N 2.78Å; V170-T173 PolarHBondContact O-OG1 3.15Å; I171-T173 VanDerWaalsContact C-N 3.34Å; I171-T173 PolarHBondContact O-N 2.73Å
174	C	98.7	Very high	98.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.02	11%	0.111	C	C	.	.	H	α-helix	trans	-144.9	63.1	-176.7	-162.4	0	0	0	0	111.6	L144 V170 E176 G177 M178	L144-C174 HydrophobicContact CB-CB 4.05Å; L144-C174 HydrophobicContact CD2-CB 3.82Å; L144-C174 HydrophobicContact CG-CB 3.78Å; L144-C174 VanDerWaalsContact O-CB 3.31Å; L144-C174 WeakPolarHBondContact O-CB 3.39Å; L144-C174 PolarHBondContact O-SG 3.13Å; V170-C174 HydrophobicContact CG1-CB 4.4Å; V170-C174 CarbonylContact O-C 3.56Å; V170-C174 PolarHBondContact O-N 3.27Å; C174-E176 VanDerWaalsContact C-N 3.32Å; C174-E176 PolarHBondContact O-N 3.11Å; C174-G177 PolarHBondContact O-N 3.01Å; C174-M178 PolarHBondContact O-N 2.95Å; C174-M178 VanDerWaalsContact O-N 3.1Å
175	Y	98.9	Very high	98.8	Very high	44 Å²	44	23.8 Å²	23.8	17%	0.173	11%	0.111	C	C	.	.	H	α-helix	trans	-57.2	-44.1	177.9	-179.5	-114.6	0	0	0	112.6	I171 G177 M178 L179 E208 E211 M212	I171-Y175 HydrophobicContact CG1-CD2 4.17Å; I171-Y175 HydrophobicContact CG2-CD2 4.37Å; Y175-G177 VanDerWaalsContact C-N 3.29Å; Y175-G177 PolarHBondContact O-N 2.82Å; Y175-M178 HydrophobicContact CD2-CG 4.15Å; Y175-M178 HydrophobicContact CD2-SD 4.13Å; Y175-M178 VanDerWaalsContact O-CG 3.22Å; Y175-M178 WeakPolarHBondContact O-CG 3.43Å; Y175-M178 PolarHBondContact O-N 3.1Å; Y175-L179 HydrophobicContact CE1-CD2 3.94Å; Y175-L179 VanDerWaalsContact O-CB 3.27Å; Y175-L179 WeakPolarHBondContact O-CB 3.29Å; Y175-L179 PolarHBondContact O-N 3.44Å; Y175-E208 HydrophobicContact CD1-CG 4.16Å; Y175-E208 HydrophobicContact CD2-CB 3.99Å; Y175-E208 HydrophobicContact CD2-CG 3.98Å; Y175-E208 HydrophobicContact CE1-CG 3.97Å; Y175-E208 HydrophobicContact CE2-CB 3.58Å; Y175-E208 HydrophobicContact CE2-CG 3.79Å; Y175-E208 HydrophobicContact CG-CG 4.16Å; Y175-E211 VanDerWaalsContact OH-CB 3.31Å; Y175-E211 WeakPolarHBondContact OH-CB 3.25Å; Y175-E211 VanDerWaalsContact OH-CG 3.3Å; Y175-E211 WeakPolarHBondContact OH-CG 3.43Å; Y175-E211 PolarHBondContact OH-OE2 3.35Å; Y175-M212 HydrophobicContact CE2-CG 3.92Å; Y175-M212 HydrophobicContact CE2-SD 4.06Å
176	E	98.8	Very high	98.7	Very high	110 Å²	110	24.1 Å²	24.1	51%	0.514	11%	0.112	S	C	.	.	H	α-helix	trans	-58.1	-40.4	177.3	53.6	179.6	-149.8	0	0	112.7	L146 C174 K180	L146-E176 HydrophobicContact CB-CG 4.04Å; L146-E176 WeakPolarHBondContact CB-OE1 3.45Å; L146-E176 PolarHBondContact N-OE1 3.43Å; C174-E176 VanDerWaalsContact C-N 3.32Å; C174-E176 PolarHBondContact O-N 3.11Å; E176-K180 PolarHBondContact O-N 3.11Å
177	G	98.8	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-49.9	177	0	0	0	0	0	112.4	I149 C174 Y175 L179 K180 I181	I149-G177 VanDerWaalsContact CD1-CA 3.43Å; C174-G177 PolarHBondContact O-N 3.01Å; Y175-G177 VanDerWaalsContact C-N 3.29Å; Y175-G177 PolarHBondContact O-N 2.82Å; G177-L179 VanDerWaalsContact C-N 3.34Å; G177-L179 PolarHBondContact O-N 2.86Å; G177-K180 PolarHBondContact O-N 2.76Å; G177-I181 WeakPolarHBondContact O-CG1 3.4Å; G177-I181 PolarHBondContact O-N 2.74Å
178	M	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-36.1	-179.2	67.9	-173.9	-64.4	0	0	112	M12 I166 V170 I171 C174 Y175 I181 A182 F194 M212	M12-M178 HydrophobicContact CE-CB 3.64Å; I166-M178 HydrophobicContact CB-CE 4.5Å; I166-M178 HydrophobicContact CD1-CB 3.89Å; I166-M178 HydrophobicContact CG2-CB 4.07Å; I166-M178 HydrophobicContact CG2-CE 3.66Å; I166-M178 HydrophobicContact CG2-SD 4.41Å; V170-M178 HydrophobicContact CB-SD 3.86Å; V170-M178 HydrophobicContact CG1-CB 4.37Å; V170-M178 HydrophobicContact CG1-SD 4.05Å; I171-M178 HydrophobicContact CG1-CE 4.18Å; I171-M178 HydrophobicContact CG1-SD 3.8Å; C174-M178 PolarHBondContact O-N 2.95Å; C174-M178 VanDerWaalsContact O-N 3.1Å; Y175-M178 HydrophobicContact CD2-CG 4.15Å; Y175-M178 HydrophobicContact CD2-SD 4.13Å; Y175-M178 VanDerWaalsContact O-CG 3.22Å; Y175-M178 WeakPolarHBondContact O-CG 3.43Å; Y175-M178 PolarHBondContact O-N 3.1Å; M178-I181 PolarHBondContact O-N 3.09Å; M178-A182 WeakPolarHBondContact O-CB 3.28Å; M178-A182 PolarHBondContact O-N 2.78Å; M178-F194 HydrophobicContact CE-CD2 4.25Å; M178-F194 HydrophobicContact CE-CE2 3.75Å; M178-M212 HydrophobicContact CB-CE 4.37Å; M178-M212 HydrophobicContact CE-CE 3.57Å; M178-M212 HydrophobicContact CE-CG 3.86Å; M178-M212 HydrophobicContact CE-SD 3.89Å; M178-M212 HydrophobicContact CG-CE 4.22Å; M178-M212 HydrophobicContact CG-SD 3.95Å; M178-M212 HydrophobicContact SD-SD 4.45Å
179	L	98.9	Very high	98.7	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-39.7	176.6	-177.4	60.5	0	0	0	111.6	Y175 G177 A182 K183 E211 M212 Y215	Y175-L179 HydrophobicContact CE1-CD2 3.94Å; Y175-L179 VanDerWaalsContact O-CB 3.27Å; Y175-L179 WeakPolarHBondContact O-CB 3.29Å; Y175-L179 PolarHBondContact O-N 3.44Å; G177-L179 VanDerWaalsContact C-N 3.34Å; G177-L179 PolarHBondContact O-N 2.86Å; L179-A182 PolarHBondContact O-N 3.24Å; L179-K183 HydrophobicContact CG-CD 4.36Å; L179-K183 WeakPolarHBondContact O-CG 3.47Å; L179-K183 PolarHBondContact O-N 3.48Å; L179-E211 HydrophobicContact CD1-CG 3.89Å; L179-M212 HydrophobicContact CB-SD 4.44Å; L179-M212 HydrophobicContact CD1-SD 4.27Å; L179-Y215 HydrophobicContact CD1-CD2 4.04Å; L179-Y215 HydrophobicContact CD1-CE2 3.52Å
180	K	98.9	Very high	98.8	Very high	74 Å²	74	39.1 Å²	39.1	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-44.5	174.7	-170.5	-172.4	171.9	92.8	0	111.4	L146 E150 W155 E176 G177 H184	L146-K180 HydrophobicContact CD1-CB 4.23Å; L146-K180 HydrophobicContact CD1-CD 3.73Å; E150-K180 HydrophobicContact CG-CD 4.1Å; E150-K180 VanDerWaalsContact OE1-CE 3.28Å; E150-K180 WeakPolarHBondContact OE1-CE 3.47Å; E150-K180 IonicContact OE1-NZ 3.67Å; E150-K180 PolarHBondContact OE1-NZ 3.3Å; W155-K180 HydrophobicContact CH2-CD 3.77Å; W155-K180 HydrophobicContact CH2-CG 3.74Å; W155-K180 HydrophobicContact CZ3-CD 3.75Å; W155-K180 HydrophobicContact CZ3-CG 4.11Å; E176-K180 PolarHBondContact O-N 3.11Å; G177-K180 PolarHBondContact O-N 2.76Å; K180-H184 WeakPolarHBondContact O-CB 3.34Å; K180-H184 PolarHBondContact O-N 2.82Å
181	I	98.9	Very high	98.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-41.3	177.6	-64.9	163.4	0	0	0	110.9	F10 M12 I149 W155 V158 Y164 I166 G177 M178 H184 S185 F192	F10-I181 HydrophobicContact CE1-CD1 3.78Å; F10-I181 HydrophobicContact CZ-CD1 4.32Å; M12-I181 HydrophobicContact CB-CD1 4.48Å; M12-I181 HydrophobicContact CE-CD1 4.17Å; M12-I181 HydrophobicContact SD-CD1 3.78Å; I149-I181 HydrophobicContact CG2-CD1 4.37Å; W155-I181 HydrophobicContact CH2-CG1 4.41Å; W155-I181 HydrophobicContact CZ3-CG1 4.04Å; V158-I181 HydrophobicContact CG1-CG1 4.15Å; V158-I181 HydrophobicContact CG1-CG2 4.22Å; V158-I181 HydrophobicContact CG2-CD1 4.37Å; V158-I181 HydrophobicContact CG2-CG1 4.21Å; Y164-I181 HydrophobicContact CD1-CG2 3.62Å; Y164-I181 HydrophobicContact CE1-CG2 3.94Å; Y164-I181 HydrophobicContact CG-CG2 4.05Å; I166-I181 HydrophobicContact CD1-CB 4.46Å; I166-I181 HydrophobicContact CD1-CD1 4.18Å; I166-I181 HydrophobicContact CD1-CG2 4.31Å; G177-I181 WeakPolarHBondContact O-CG1 3.4Å; G177-I181 PolarHBondContact O-N 2.74Å; M178-I181 PolarHBondContact O-N 3.09Å; I181-H184 WeakPolarHBondContact O-CB 3.16Å; I181-H184 PolarHBondContact O-N 2.95Å; I181-S185 WeakPolarHBondContact O-CB 3.25Å; I181-S185 PolarHBondContact O-N 3.13Å; I181-F192 HydrophobicContact CG2-CE2 4.12Å
182	A	98.9	Very high	98.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-42.9	179.6	0	0	0	0	0	112.3	M178 L179 S185 L186 F192 M212 Y215	M178-A182 WeakPolarHBondContact O-CB 3.28Å; M178-A182 PolarHBondContact O-N 2.78Å; L179-A182 PolarHBondContact O-N 3.24Å; A182-S185 WeakPolarHBondContact O-CB 3.41Å; A182-S185 PolarHBondContact O-N 3.13Å; A182-L186 PolarHBondContact O-N 3.16Å; A182-F192 HydrophobicContact CB-CD2 4.15Å; A182-F192 HydrophobicContact CB-CE1 4.31Å; A182-F192 HydrophobicContact CB-CE2 3.78Å; A182-F192 HydrophobicContact CB-CZ 3.87Å; A182-M212 HydrophobicContact CB-CE 3.55Å; A182-M212 HydrophobicContact CB-SD 4.31Å; A182-Y215 HydrophobicContact CB-CD2 4.19Å; A182-Y215 HydrophobicContact CB-CG 3.92Å
183	K	98.9	Very high	98.8	Very high	94 Å²	94	37.6 Å²	37.6	41%	0.409	18%	0.177	S	C	.	.	H	α-helix	trans	-58.6	-49.3	172.3	-75.5	173.1	178.9	175.5	0	111.6	L179 S185 L186 E187 Y215	L179-K183 HydrophobicContact CG-CD 4.36Å; L179-K183 WeakPolarHBondContact O-CG 3.47Å; L179-K183 PolarHBondContact O-N 3.48Å; K183-S185 VanDerWaalsContact C-N 3.31Å; K183-S185 PolarHBondContact O-N 2.7Å; K183-L186 PolarHBondContact O-N 3.36Å; K183-E187 WeakPolarHBondContact O-CB 3.38Å; K183-E187 PolarHBondContact O-N 2.91Å; K183-Y215 HydrophobicContact CB-CE1 4.32Å; K183-Y215 WeakPolarHBondContact CE-OH 2.97Å; K183-Y215 HydrophobicContact CG-CD1 4.19Å; K183-Y215 HydrophobicContact CG-CE1 3.47Å; K183-Y215 VanDerWaalsContact CG-CE1 3.47Å; K183-Y215 HydrophobicContact CG-CE2 4.44Å
184	H	98.9	Very high	98.9	Very high	26 Å²	26	36.7 Å²	36.7	12%	0.12	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-43	175.9	173.5	77.8	0	0	0	112.1	W155 Y164 K180 I181 N188 K190	W155-H184 HydrophobicContact CH2-CB 4.25Å; W155-H184 HydrophobicContact CZ2-CB 4.14Å; Y164-H184 PolarHBondContact OH-CD2 3.26Å; Y164-H184 VanDerWaalsContact OH-CD2 3.28Å; Y164-H184 PolarHBondContact OH-NE2 3.09Å; K180-H184 WeakPolarHBondContact O-CB 3.34Å; K180-H184 PolarHBondContact O-N 2.82Å; I181-H184 WeakPolarHBondContact O-CB 3.16Å; I181-H184 PolarHBondContact O-N 2.95Å; H184-N188 PolarHBondContact ND1-ND2 2.96Å; H184-N188 WeakPolarHBondContact O-CB 3.39Å; H184-N188 PolarHBondContact O-N 3.3Å; H184-N188 VanDerWaalsContact O-N 3.13Å; H184-N188 PolarHBondContact O-ND2 2.96Å; H184-K190 PolarHBondContact NE2-NZ 3.46Å
185	S	98.9	Very high	98.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-48.8	177.5	-173.7	0	0	0	0	111.8	Y164 I181 A182 K183 N188 E189 K190	Y164-S185 VanDerWaalsContact CD2-OG 3.27Å; Y164-S185 WeakPolarHBondContact CD2-OG 3.32Å; Y164-S185 WeakPolarHBondContact CE2-OG 3.46Å; I181-S185 WeakPolarHBondContact O-CB 3.25Å; I181-S185 PolarHBondContact O-N 3.13Å; A182-S185 WeakPolarHBondContact O-CB 3.41Å; A182-S185 PolarHBondContact O-N 3.13Å; K183-S185 VanDerWaalsContact C-N 3.31Å; K183-S185 PolarHBondContact O-N 2.7Å; S185-N188 CarbonylContact O-C 3.57Å; S185-N188 PolarHBondContact O-N 3.21Å; S185-E189 PolarHBondContact O-N 3.18Å; S185-E189 VanDerWaalsContact O-N 3.13Å; S185-K190 PolarHBondContact O-N 3.02Å; S185-K190 WeakPolarHBondContact OG-CB 3.45Å; S185-K190 PolarHBondContact OG-O 3.35Å
186	L	98.8	Very high	98.8	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-42.9	-178.1	-171.9	65.2	0	0	0	111.9	A182 K183 N188 E189 Y215 F252 A253 D254	A182-L186 PolarHBondContact O-N 3.16Å; K183-L186 PolarHBondContact O-N 3.36Å; L186-N188 PolarHBondContact O-N 3.01Å; L186-E189 PolarHBondContact O-N 3.13Å; L186-Y215 HydrophobicContact CB-CD1 3.96Å; L186-Y215 HydrophobicContact CD2-CD1 3.6Å; L186-Y215 HydrophobicContact CD2-CE1 4.07Å; L186-Y215 HydrophobicContact CG-CD1 4.42Å; L186-F252 HydrophobicContact CD1-CD1 3.59Å; L186-F252 HydrophobicContact CD1-CE1 4.13Å; L186-F252 HydrophobicContact CD1-CG 4.47Å; L186-F252 HydrophobicContact CD2-CD1 4.5Å; L186-A253 HydrophobicContact CD2-CB 4Å; L186-D254 HydrophobicContact CD2-CB 4.14Å
187	E	98.8	Very high	98.6	Very high	153 Å²	153	30.5 Å²	30.5	72%	0.715	15%	0.146	S	C	*	.	H	α-helix	trans	-60.2	-35.4	178.1	-176	175.4	-169.3	0	0	112.2	K183	K183-E187 WeakPolarHBondContact O-CB 3.38Å; K183-E187 PolarHBondContact O-N 2.91Å
188	N	98.8	Very high	98.4	Very high	82 Å²	82	30.8 Å²	30.8	44%	0.439	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	13	-177.8	-66.3	-87.5	0	0	0	113.7	H184 S185 L186 K190	H184-N188 PolarHBondContact ND1-ND2 2.96Å; H184-N188 WeakPolarHBondContact O-CB 3.39Å; H184-N188 PolarHBondContact O-N 3.3Å; H184-N188 VanDerWaalsContact O-N 3.13Å; H184-N188 PolarHBondContact O-ND2 2.96Å; S185-N188 CarbonylContact O-C 3.57Å; S185-N188 PolarHBondContact O-N 3.21Å; L186-N188 PolarHBondContact O-N 3.01Å; N188-K190 HydrophobicContact CB-CD 4.16Å; N188-K190 HydrophobicContact CB-CG 4.11Å; N188-K190 PolarHBondContact O-N 3.08Å
189	E	98.6	Very high	98.1	Very high	105 Å²	105	32.7 Å²	32.7	49%	0.491	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.1	178.9	-55.6	-66.3	159.6	0	0	113.9	S185 L186 K256 R258	S185-E189 PolarHBondContact O-N 3.18Å; S185-E189 VanDerWaalsContact O-N 3.13Å; L186-E189 PolarHBondContact O-N 3.13Å; E189-K256 IonicContact OE1-NZ 2.77Å; E189-K256 PolarHBondContact OE1-NZ 2.74Å; E189-R258 VanDerWaalsContact CD-NH2 3.34Å; E189-R258 IonicContact OE1-CZ 2.66Å; E189-R258 IonicContact OE1-NE 2.69Å; E189-R258 IonicContact OE1-NH2 3.67Å; E189-R258 PolarHBondContact OE1-NH2 2.67Å; E189-R258 IonicContact OE2-CZ 3.67Å; E189-R258 IonicContact OE2-NE 3.31Å; E189-R258 PolarHBondContact OE2-NE 3.06Å; E189-R258 IonicContact OE2-NH2 3.59Å; E189-R258 PolarHBondContact OE2-NH2 2.71Å
190	K	98.8	Very high	97.9	Very high	17 Å²	17	33.7 Å²	33.7	7%	0.074	16%	0.164	C	C	.	.			trans	-90.1	169.3	177.7	-64.5	178.3	177.3	-173	0	111.5	V158 E159 A161 Q162 Y164 H184 S185 N188 N217	V158-K190 PolarHBondContact O-NZ 3.06Å; E159-K190 PolarHBondContact O-NZ 2.94Å; A161-K190 VanDerWaalsContact O-CD 3.28Å; A161-K190 WeakPolarHBondContact O-CD 3.27Å; A161-K190 WeakPolarHBondContact O-CE 3.49Å; A161-K190 PolarHBondContact O-NZ 3.24Å; Q162-K190 WeakPolarHBondContact O-CB 3.3Å; Y164-K190 HydrophobicContact CD2-CB 4.4Å; Y164-K190 HydrophobicContact CE2-CB 3.75Å; Y164-K190 HydrophobicContact CE2-CD 3.57Å; Y164-K190 HydrophobicContact CE2-CG 4.33Å; Y164-K190 WeakPolarHBondContact OH-CD 3.08Å; Y164-K190 PolarHBondContact OH-NZ 3.46Å; H184-K190 PolarHBondContact NE2-NZ 3.46Å; S185-K190 PolarHBondContact O-N 3.02Å; S185-K190 WeakPolarHBondContact OG-CB 3.45Å; S185-K190 PolarHBondContact OG-O 3.35Å; N188-K190 HydrophobicContact CB-CD 4.16Å; N188-K190 HydrophobicContact CB-CG 4.11Å; N188-K190 PolarHBondContact O-N 3.08Å; K190-N217 PolarHBondContact O-OD1 2.79Å; K190-N217 VanDerWaalsContact O-OD1 3.06Å
191	L	98.9	Very high	97.8	Very high	36 Å²	36	30.1 Å²	30.1	19%	0.188	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	102.8	-178.8	-171.5	75	0	0	0	111.3	Q162 V163 Y164 N217 I218 Y312 I313	Q162-L191 PolarHBondContact O-N 2.93Å; V163-L191 CarbonylContact C-O 3.3Å; V163-L191 VanDerWaalsContact CA-O 3.32Å; V163-L191 WeakPolarHBondContact CA-O 3.38Å; V163-L191 HydrophobicContact CG1-CD2 4.16Å; V163-L191 HydrophobicContact CG2-CB 4.2Å; V163-L191 HydrophobicContact CG2-CD2 4.22Å; Y164-L191 PolarHBondContact N-O 3.34Å; L191-N217 HydrophobicContact CD1-CB 3.61Å; L191-I218 HydrophobicContact CD1-CD1 4.11Å; L191-I218 HydrophobicContact CD1-CG1 4.1Å; L191-I218 HydrophobicContact CD2-CD1 4.18Å; L191-I218 HydrophobicContact CG-CD1 4.46Å; L191-Y312 HydrophobicContact CD2-CD1 4.41Å; L191-I313 HydrophobicContact CD2-CG2 3.8Å
192	F	99	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.6	171.9	-162.6	-89.2	0	0	0	111.2	Y164 I166 I181 A182 F194 M212 S216 N217 I218	Y164-F192 HydrophobicContact CD2-CD2 4.15Å; Y164-F192 HydrophobicContact CG-CD2 4.09Å; I166-F192 HydrophobicContact CB-CZ 4.19Å; I166-F192 HydrophobicContact CD1-CE2 4.01Å; I166-F192 HydrophobicContact CD1-CZ 3.98Å; I166-F192 HydrophobicContact CG1-CE2 4.41Å; I166-F192 HydrophobicContact CG1-CZ 4.21Å; I181-F192 HydrophobicContact CG2-CE2 4.12Å; A182-F192 HydrophobicContact CB-CD2 4.15Å; A182-F192 HydrophobicContact CB-CE1 4.31Å; A182-F192 HydrophobicContact CB-CE2 3.78Å; A182-F192 HydrophobicContact CB-CZ 3.87Å; F192-F194 HydrophobicContact CD1-CB 4.38Å; F192-F194 HydrophobicContact CE1-CB 4.11Å; F192-M212 HydrophobicContact CE1-CE 3.54Å; F192-M212 HydrophobicContact CE2-CE 4.47Å; F192-M212 HydrophobicContact CZ-CE 3.41Å; F192-M212 VanDerWaalsContact CZ-CE 3.41Å; F192-S216 WeakPolarHBondContact CD1-OG 3.5Å; F192-N217 PolarHBondContact N-OD1 3.12Å; F192-N217 PolarHBondContact O-N 2.7Å; F192-I218 PolarHBondContact O-N 3.37Å; F192-I218 VanDerWaalsContact O-N 3.12Å
193	C	99	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.8	176.4	-56.7	0	0	0	0	110	Y164 Y165 I166 I218 F220 I309	Y164-C193 WeakPolarHBondContact O-CA 3.35Å; Y164-C193 VanDerWaalsContact O-CB 3.25Å; Y164-C193 WeakPolarHBondContact O-CB 3.22Å; Y164-C193 PolarHBondContact O-N 2.61Å; Y165-C193 WeakPolarHBondContact CA-O 3.29Å; Y165-C193 HydrophobicContact CD2-CB 3.8Å; I166-C193 PolarHBondContact N-O 3.37Å; I166-C193 VanDerWaalsContact N-O 3.13Å; C193-I218 WeakPolarHBondContact CA-O 3.5Å; C193-I218 HydrophobicContact CB-CB 4.41Å; C193-F220 HydrophobicContact CB-CE2 4.22Å; C193-I309 HydrophobicContact CB-CD1 3.97Å
194	F	98.9	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.4	-178.2	-178.1	-116.7	0	0	0	110.6	I166 I171 M178 F192 L196 V209 M212 I213 S216 I218 V219 F220	I166-F194 WeakPolarHBondContact O-CD2 3.17Å; I171-F194 HydrophobicContact CD1-CZ 4.22Å; M178-F194 HydrophobicContact CE-CD2 4.25Å; M178-F194 HydrophobicContact CE-CE2 3.75Å; F192-F194 HydrophobicContact CD1-CB 4.38Å; F192-F194 HydrophobicContact CE1-CB 4.11Å; F194-L196 HydrophobicContact CE1-CD2 4.15Å; F194-V209 HydrophobicContact CE1-CG1 4.35Å; F194-M212 HydrophobicContact CD1-CB 4.47Å; F194-M212 HydrophobicContact CD2-CB 4.27Å; F194-M212 HydrophobicContact CE1-CB 4.22Å; F194-M212 HydrophobicContact CE2-CB 4.01Å; F194-M212 HydrophobicContact CE2-CG 4.42Å; F194-M212 HydrophobicContact CZ-CB 3.99Å; F194-I213 HydrophobicContact CD1-CG1 4.27Å; F194-I213 HydrophobicContact CE1-CG1 4.36Å; F194-S216 WeakPolarHBondContact CB-OG 3.37Å; F194-I218 PolarHBondContact N-O 3.29Å; F194-V219 HydrophobicContact CD1-CG1 4.42Å; F194-V219 CarbonylContact O-C 3.55Å; F194-V219 WeakPolarHBondContact O-CA 3.2Å; F194-F220 PolarHBondContact O-N 3.4Å
195	N	98.8	Very high	97.7	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.5	175.8	-168.1	-41.1	0	0	0	109.9	Y165 G168 S197 F220	Y165-N195 HydrophobicContact CE2-CB 4.35Å; Y165-N195 WeakPolarHBondContact OH-CB 3.11Å; Y165-N195 PolarHBondContact OH-ND2 3.43Å; Y165-N195 VanDerWaalsContact OH-ND2 3.11Å; G168-N195 WeakPolarHBondContact CA-O 3.43Å; G168-N195 PolarHBondContact N-O 3.11Å; N195-S197 PolarHBondContact O-N 2.65Å; N195-S197 PolarHBondContact O-OG 2.74Å; N195-S197 WeakPolarHBondContact OD1-CA 3.05Å; N195-S197 PolarHBondContact OD1-N 3.35Å; N195-F220 CarbonylContact C-O 3.56Å; N195-F220 WeakPolarHBondContact CA-O 3.2Å; N195-F220 HydrophobicContact CB-CB 4.24Å
196	L	98.1	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.			trans	-58.3	-30.3	178.2	-60.2	-176.2	0	0	0	112.4	F194 A198 L201 V209 I213 V219 F220 E225 I247	F194-L196 HydrophobicContact CE1-CD2 4.15Å; L196-A198 PolarHBondContact O-N 2.97Å; L196-L201 WeakPolarHBondContact O-CD1 3.38Å; L196-V209 HydrophobicContact CD2-CG1 4.02Å; L196-I213 HydrophobicContact CD2-CD1 4.26Å; L196-V219 HydrophobicContact CD2-CG1 3.99Å; L196-V219 HydrophobicContact CG-CG1 4.22Å; L196-F220 PolarHBondContact N-O 2.63Å; L196-E225 HydrophobicContact CB-CB 4.02Å; L196-E225 HydrophobicContact CB-CG 4.26Å; L196-E225 HydrophobicContact CD1-CB 4.1Å; L196-I247 HydrophobicContact CD1-CD1 4.09Å; L196-I247 HydrophobicContact CD2-CD1 4.44Å
197	S	95	Very high	97.6	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.091	22%	0.219	C	C	.	.			trans	67	-43.2	167.6	-54.9	0	0	0	0	117.8	A167 G168 F169 N195 E225	A167-S197 WeakPolarHBondContact CB-OG 3.46Å; G168-S197 PolarHBondContact N-OG 2.87Å; F169-S197 VanDerWaalsContact CZ-O 3.25Å; F169-S197 WeakPolarHBondContact CZ-O 3.26Å; N195-S197 PolarHBondContact O-N 2.65Å; N195-S197 PolarHBondContact O-OG 2.74Å; N195-S197 WeakPolarHBondContact OD1-CA 3.05Å; N195-S197 PolarHBondContact OD1-N 3.35Å; S197-E225 VanDerWaalsContact O-OE1 3.08Å
198	A	92.8	Very high	97.6	Very high	5 Å²	5	40 Å²	40	4%	0.041	20%	0.195	C	C	.	.			trans	-159.3	146.1	176.3	0	0	0	0	0	112.5	F169 L196 F200 L201 E225	F169-A198 HydrophobicContact CE1-CB 3.59Å; F169-A198 HydrophobicContact CZ-CB 3.86Å; L196-A198 PolarHBondContact O-N 2.97Å; A198-F200 HydrophobicContact CB-CD1 3.47Å; A198-F200 VanDerWaalsContact CB-CD1 3.47Å; A198-F200 HydrophobicContact CB-CE1 3.33Å; A198-F200 HydrophobicContact CB-CG 4.4Å; A198-F200 HydrophobicContact CB-CZ 4.16Å; A198-F200 PolarHBondContact O-N 3.32Å; A198-F200 VanDerWaalsContact O-N 3.15Å; A198-L201 HydrophobicContact CB-CD1 4.32Å; A198-L201 WeakPolarHBondContact O-CB 3.36Å; A198-L201 PolarHBondContact O-N 3.1Å; A198-L201 VanDerWaalsContact O-N 3.08Å; A198-E225 PolarHBondContact N-OE1 2.94Å
199	P	94	Very high	97.7	Very high	41 Å²	41	36.1 Å²	36.1	27%	0.266	17%	0.174	S	C	.	.	H	α-helix	trans	-52.1	-39.7	178.1	-30.5	37	0	0	0	114.3	L201 S202 Q203 E225 A228	P199-L201 PolarHBondContact O-N 3.34Å; P199-S202 PolarHBondContact O-N 2.93Å; P199-Q203 WeakPolarHBondContact O-CG 3.22Å; P199-Q203 PolarHBondContact O-N 3.2Å; P199-Q203 VanDerWaalsContact O-N 3.13Å; P199-E225 HydrophobicContact CG-CG 4.35Å; P199-A228 HydrophobicContact CB-CB 3.69Å
200	F	94.5	Very high	97.7	Very high	41 Å²	41	33 Å²	33	18%	0.18	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-26.1	-176	76.6	-101.7	0	0	0	112.9	L40 F169 N172 A198 Q203 F204	L40-F200 HydrophobicContact CD1-CE2 4.46Å; L40-F200 HydrophobicContact CD1-CZ 4.45Å; F169-F200 HydrophobicContact CD1-CZ 4.09Å; F169-F200 AromaticContact CE1-CE1 3.9Å; F169-F200 HydrophobicContact CE1-CE1 3.9Å; F169-F200 AromaticContact CE1-CZ 3.94Å; F169-F200 HydrophobicContact CE1-CZ 3.94Å; N172-F200 WeakPolarHBondContact OD1-CE2 3.47Å; A198-F200 HydrophobicContact CB-CD1 3.47Å; A198-F200 VanDerWaalsContact CB-CD1 3.47Å; A198-F200 HydrophobicContact CB-CE1 3.33Å; A198-F200 HydrophobicContact CB-CG 4.4Å; A198-F200 HydrophobicContact CB-CZ 4.16Å; A198-F200 PolarHBondContact O-N 3.32Å; A198-F200 VanDerWaalsContact O-N 3.15Å; F200-Q203 PolarHBondContact O-N 3.38Å; F200-F204 HydrophobicContact CB-CD2 3.82Å; F200-F204 HydrophobicContact CB-CE2 3.91Å; F200-F204 WeakPolarHBondContact O-CB 3.27Å; F200-F204 WeakPolarHBondContact O-CD2 3.22Å; F200-F204 PolarHBondContact O-N 3.4Å
201	L	97	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-43.9	176.9	-69.3	165.6	0	0	0	110.2	F169 I171 N172 L196 A198 P199 Q203 N205 T206 V209	F169-L201 HydrophobicContact CD1-CD1 4.08Å; F169-L201 HydrophobicContact CE1-CD1 4.44Å; I171-L201 HydrophobicContact CB-CD2 4.3Å; N172-L201 WeakPolarHBondContact OD1-CD2 3.14Å; L196-L201 WeakPolarHBondContact O-CD1 3.38Å; A198-L201 HydrophobicContact CB-CD1 4.32Å; A198-L201 WeakPolarHBondContact O-CB 3.36Å; A198-L201 PolarHBondContact O-N 3.1Å; A198-L201 VanDerWaalsContact O-N 3.08Å; P199-L201 PolarHBondContact O-N 3.34Å; L201-Q203 VanDerWaalsContact C-N 3.27Å; L201-Q203 PolarHBondContact O-N 3.09Å; L201-N205 CarbonylContact O-C 3.47Å; L201-N205 WeakPolarHBondContact O-CA 3.27Å; L201-N205 VanDerWaalsContact O-CB 3.28Å; L201-N205 WeakPolarHBondContact O-CB 3.24Å; L201-N205 PolarHBondContact O-N 2.91Å; L201-T206 PolarHBondContact O-N 3.16Å; L201-V209 HydrophobicContact CB-CG2 4.17Å
202	S	98.1	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-29.7	175	-55	0	0	0	0	112.6	P199 T206	P199-S202 PolarHBondContact O-N 2.93Å; S202-T206 WeakPolarHBondContact O-CB 3.31Å; S202-T206 PolarHBondContact O-OG1 2.94Å
203	Q	97.9	Very high	97.7	Very high	79 Å²	79	32.9 Å²	32.9	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-79.6	-40.6	-179.6	-68.9	170.8	-23.1	0	0	114.2	P199 F200 L201 A228 V232	P199-Q203 WeakPolarHBondContact O-CG 3.22Å; P199-Q203 PolarHBondContact O-N 3.2Å; P199-Q203 VanDerWaalsContact O-N 3.13Å; F200-Q203 PolarHBondContact O-N 3.38Å; L201-Q203 VanDerWaalsContact C-N 3.27Å; L201-Q203 PolarHBondContact O-N 3.09Å; Q203-A228 HydrophobicContact CG-CB 4.16Å; Q203-V232 HydrophobicContact CG-CG2 4.15Å
204	F	97.8	Very high	97.7	Very high	154 Å²	154	34 Å²	34	68%	0.675	17%	0.167	S	C	*	.	H	α-helix	trans	-113.5	-14.5	-171.8	-53.8	-60.3	0	0	0	113.8	F200	F200-F204 HydrophobicContact CB-CD2 3.82Å; F200-F204 HydrophobicContact CB-CE2 3.91Å; F200-F204 WeakPolarHBondContact O-CB 3.27Å; F200-F204 WeakPolarHBondContact O-CD2 3.22Å; F200-F204 PolarHBondContact O-N 3.4Å
205	N	98.4	Very high	97.7	Very high	33 Å²	33	35.2 Å²	35.2	18%	0.176	17%	0.172	C	C	.	.			trans	-127.5	35.9	178.4	-64.4	112	0	0	0	111.2	I171 N172 L201 K207 E208 V209	I171-N205 HydrophobicContact CG2-CB 3.9Å; N172-N205 PolarHBondContact ND2-OD1 3.02Å; N172-N205 VanDerWaalsContact ND2-OD1 3.14Å; L201-N205 CarbonylContact O-C 3.47Å; L201-N205 WeakPolarHBondContact O-CA 3.27Å; L201-N205 VanDerWaalsContact O-CB 3.28Å; L201-N205 WeakPolarHBondContact O-CB 3.24Å; L201-N205 PolarHBondContact O-N 2.91Å; N205-K207 VanDerWaalsContact C-N 3.26Å; N205-K207 PolarHBondContact O-N 3.15Å; N205-E208 VanDerWaalsContact C-OE2 3.3Å; N205-E208 WeakPolarHBondContact CA-OE2 3.5Å; N205-E208 HydrophobicContact CB-CB 4.35Å; N205-E208 WeakPolarHBondContact CB-OE2 3.39Å; N205-E208 PolarHBondContact O-N 3.15Å; N205-E208 VanDerWaalsContact O-N 3.09Å; N205-V209 WeakPolarHBondContact O-CG2 3.34Å; N205-V209 PolarHBondContact O-N 3.19Å
206	T	98.7	Very high	97.7	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	17%	0.168	C	C	.	.	H	α-helix	trans	-52.3	-45.4	-175.9	-41.2	0	0	0	0	111.8	L201 S202 E208 V209 D210 V232	L201-T206 PolarHBondContact O-N 3.16Å; S202-T206 WeakPolarHBondContact O-CB 3.31Å; S202-T206 PolarHBondContact O-OG1 2.94Å; T206-E208 PolarHBondContact O-N 3Å; T206-V209 PolarHBondContact O-N 3.37Å; T206-D210 PolarHBondContact O-N 2.91Å; T206-V232 HydrophobicContact CG2-CG1 3.62Å
207	K	98.8	Very high	97.7	Very high	147 Å²	147	35.7 Å²	35.7	64%	0.639	17%	0.174	S	C	*	.	H	α-helix	trans	-59	-48	179.3	-178.1	-163.3	168	-163.1	0	111.3	N205 V209 D210 E211	N205-K207 VanDerWaalsContact C-N 3.26Å; N205-K207 PolarHBondContact O-N 3.15Å; K207-V209 VanDerWaalsContact C-N 3.35Å; K207-D210 PolarHBondContact O-N 3.01Å; K207-E211 WeakPolarHBondContact O-CB 3.23Å; K207-E211 PolarHBondContact O-N 3.32Å
208	E	98.9	Very high	97.9	Very high	44 Å²	44	35.2 Å²	35.2	21%	0.206	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-38.3	179.9	-66	75.6	-162	0	0	111.3	I171 Y175 N205 T206 M212	I171-E208 HydrophobicContact CD1-CB 4.07Å; I171-E208 HydrophobicContact CG1-CB 4.28Å; I171-E208 HydrophobicContact CG2-CB 3.63Å; I171-E208 HydrophobicContact CG2-CG 3.93Å; Y175-E208 HydrophobicContact CD1-CG 4.16Å; Y175-E208 HydrophobicContact CD2-CB 3.99Å; Y175-E208 HydrophobicContact CD2-CG 3.98Å; Y175-E208 HydrophobicContact CE1-CG 3.97Å; Y175-E208 HydrophobicContact CE2-CB 3.58Å; Y175-E208 HydrophobicContact CE2-CG 3.79Å; Y175-E208 HydrophobicContact CG-CG 4.16Å; N205-E208 VanDerWaalsContact C-OE2 3.3Å; N205-E208 WeakPolarHBondContact CA-OE2 3.5Å; N205-E208 HydrophobicContact CB-CB 4.35Å; N205-E208 WeakPolarHBondContact CB-OE2 3.39Å; N205-E208 PolarHBondContact O-N 3.15Å; N205-E208 VanDerWaalsContact O-N 3.09Å; T206-E208 PolarHBondContact O-N 3Å; E208-M212 WeakPolarHBondContact O-CB 3.43Å; E208-M212 WeakPolarHBondContact O-CG 3.45Å; E208-M212 PolarHBondContact O-N 2.98Å
209	V	98.9	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-49.6	175.3	171.9	0	0	0	0	110.9	I171 F194 L196 L201 N205 T206 K207 E211 M212 I213 Y229	I171-V209 HydrophobicContact CD1-CG2 3.76Å; F194-V209 HydrophobicContact CE1-CG1 4.35Å; L196-V209 HydrophobicContact CD2-CG1 4.02Å; L201-V209 HydrophobicContact CB-CG2 4.17Å; N205-V209 WeakPolarHBondContact O-CG2 3.34Å; N205-V209 PolarHBondContact O-N 3.19Å; T206-V209 PolarHBondContact O-N 3.37Å; K207-V209 VanDerWaalsContact C-N 3.35Å; V209-E211 PolarHBondContact O-N 3.2Å; V209-M212 PolarHBondContact O-N 3.39Å; V209-I213 HydrophobicContact CG1-CD1 3.78Å; V209-I213 HydrophobicContact CG1-CG1 4.47Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.05Å; V209-I213 PolarHBondContact O-N 3.01Å; V209-Y229 HydrophobicContact CG1-CD2 4.12Å; V209-Y229 HydrophobicContact CG1-CE2 3.89Å
210	D	98.9	Very high	98.4	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.203	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-40.6	180	-68.3	-22.5	0	0	0	112.3	T206 K207 M212 I213 S214 Y229 H233	T206-D210 PolarHBondContact O-N 2.91Å; K207-D210 PolarHBondContact O-N 3.01Å; D210-M212 VanDerWaalsContact C-N 3.32Å; D210-M212 PolarHBondContact O-N 2.92Å; D210-I213 PolarHBondContact O-N 3.18Å; D210-S214 PolarHBondContact O-N 2.86Å; D210-Y229 VanDerWaalsContact OD1-CE2 3.24Å; D210-Y229 WeakPolarHBondContact OD1-CE2 3.5Å; D210-Y229 VanDerWaalsContact OD1-CZ 3.29Å; D210-Y229 PolarHBondContact OD1-OH 3.5Å; D210-H233 IonicContact OD1-CE1 3.88Å; D210-H233 IonicContact OD1-NE2 3.15Å; D210-H233 PolarHBondContact OD1-NE2 3.08Å; D210-H233 IonicContact OD2-CE1 3.98Å; D210-H233 IonicContact OD2-NE2 3.45Å; D210-H233 PolarHBondContact OD2-NE2 3.08Å; D210-H233 VanDerWaalsContact OD2-NE2 3.14Å
211	E	98.9	Very high	98.6	Very high	52 Å²	52	31.6 Å²	31.6	24%	0.243	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-44.7	175.3	-176.3	166.7	-160.5	0	0	109.9	Y175 L179 K207 V209 I213 S214 Y215	Y175-E211 VanDerWaalsContact OH-CB 3.31Å; Y175-E211 WeakPolarHBondContact OH-CB 3.25Å; Y175-E211 VanDerWaalsContact OH-CG 3.3Å; Y175-E211 WeakPolarHBondContact OH-CG 3.43Å; Y175-E211 PolarHBondContact OH-OE2 3.35Å; L179-E211 HydrophobicContact CD1-CG 3.89Å; K207-E211 WeakPolarHBondContact O-CB 3.23Å; K207-E211 PolarHBondContact O-N 3.32Å; V209-E211 PolarHBondContact O-N 3.2Å; E211-I213 PolarHBondContact O-N 3.37Å; E211-S214 WeakPolarHBondContact O-CB 3.41Å; E211-S214 PolarHBondContact O-N 2.88Å; E211-S214 PolarHBondContact O-OG 3.45Å; E211-Y215 HydrophobicContact CG-CE2 3.9Å; E211-Y215 WeakPolarHBondContact O-CD2 3.43Å; E211-Y215 WeakPolarHBondContact O-CE2 3.48Å
212	M	98.9	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-37.7	176.4	-67.5	-60	-49	0	0	113.3	Y175 M178 L179 A182 F192 F194 E208 V209 D210 S214 Y215 S216	Y175-M212 HydrophobicContact CE2-CG 3.92Å; Y175-M212 HydrophobicContact CE2-SD 4.06Å; M178-M212 HydrophobicContact CB-CE 4.37Å; M178-M212 HydrophobicContact CE-CE 3.57Å; M178-M212 HydrophobicContact CE-CG 3.86Å; M178-M212 HydrophobicContact CE-SD 3.89Å; M178-M212 HydrophobicContact CG-CE 4.22Å; M178-M212 HydrophobicContact CG-SD 3.95Å; M178-M212 HydrophobicContact SD-SD 4.45Å; L179-M212 HydrophobicContact CB-SD 4.44Å; L179-M212 HydrophobicContact CD1-SD 4.27Å; A182-M212 HydrophobicContact CB-CE 3.55Å; A182-M212 HydrophobicContact CB-SD 4.31Å; F192-M212 HydrophobicContact CE1-CE 3.54Å; F192-M212 HydrophobicContact CE2-CE 4.47Å; F192-M212 HydrophobicContact CZ-CE 3.41Å; F192-M212 VanDerWaalsContact CZ-CE 3.41Å; F194-M212 HydrophobicContact CD1-CB 4.47Å; F194-M212 HydrophobicContact CD2-CB 4.27Å; F194-M212 HydrophobicContact CE1-CB 4.22Å; F194-M212 HydrophobicContact CE2-CB 4.01Å; F194-M212 HydrophobicContact CE2-CG 4.42Å; F194-M212 HydrophobicContact CZ-CB 3.99Å; E208-M212 WeakPolarHBondContact O-CB 3.43Å; E208-M212 WeakPolarHBondContact O-CG 3.45Å; E208-M212 PolarHBondContact O-N 2.98Å; V209-M212 PolarHBondContact O-N 3.39Å; D210-M212 VanDerWaalsContact C-N 3.32Å; D210-M212 PolarHBondContact O-N 2.92Å; M212-S214 PolarHBondContact O-N 3.09Å; M212-Y215 PolarHBondContact O-N 2.93Å; M212-Y215 VanDerWaalsContact O-N 3.16Å; M212-S216 PolarHBondContact O-N 3.18Å; M212-S216 PolarHBondContact O-OG 3Å
213	I	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-40	172.8	-71.8	165.4	0	0	0	110.2	F194 L196 V209 D210 E211 Y215 S216 V219 Y229 I247 L250 R260	F194-I213 HydrophobicContact CD1-CG1 4.27Å; F194-I213 HydrophobicContact CE1-CG1 4.36Å; L196-I213 HydrophobicContact CD2-CD1 4.26Å; V209-I213 HydrophobicContact CG1-CD1 3.78Å; V209-I213 HydrophobicContact CG1-CG1 4.47Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.05Å; V209-I213 PolarHBondContact O-N 3.01Å; D210-I213 PolarHBondContact O-N 3.18Å; E211-I213 PolarHBondContact O-N 3.37Å; I213-Y215 PolarHBondContact O-N 3.32Å; I213-Y215 VanDerWaalsContact O-N 3.08Å; I213-S216 PolarHBondContact O-N 3.15Å; I213-V219 HydrophobicContact CG1-CG2 4.25Å; I213-V219 HydrophobicContact CG2-CG2 4.45Å; I213-Y229 HydrophobicContact CD1-CE2 3.84Å; I213-I247 HydrophobicContact CD1-CD1 4.31Å; I213-I247 HydrophobicContact CD1-CG1 4.15Å; I213-I247 HydrophobicContact CD1-CG2 4.15Å; I213-I247 HydrophobicContact CG1-CG2 4.39Å; I213-I247 HydrophobicContact CG2-CG2 3.92Å; I213-L250 HydrophobicContact CB-CD1 4.41Å; I213-L250 HydrophobicContact CG2-CB 4.26Å; I213-L250 HydrophobicContact CG2-CD1 3.75Å; I213-R260 PolarHBondContact O-NE 3.46Å; I213-R260 VanDerWaalsContact O-NE 3.1Å; I213-R260 PolarHBondContact O-NH2 3.32Å
214	S	98.9	Very high	98.2	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-17.1	179.8	82.9	0	0	0	0	114.6	D210 E211 M212 F252 A253	D210-S214 PolarHBondContact O-N 2.86Å; E211-S214 WeakPolarHBondContact O-CB 3.41Å; E211-S214 PolarHBondContact O-N 2.88Å; E211-S214 PolarHBondContact O-OG 3.45Å; M212-S214 PolarHBondContact O-N 3.09Å; S214-F252 CarbonylContact O-C 3.47Å; S214-F252 VanDerWaalsContact O-CA 3.25Å; S214-F252 WeakPolarHBondContact O-CA 3.24Å; S214-F252 WeakPolarHBondContact O-CD1 3.3Å; S214-A253 PolarHBondContact O-N 2.76Å
215	Y	98.9	Very high	98.2	Very high	27 Å²	27	28 Å²	28	11%	0.106	14%	0.144	C	C	.	.	H	α-helix	trans	-103.2	-9	172	-61.4	-80.5	0	0	0	113.6	L179 A182 K183 L186 E211 M212 I213 A253	L179-Y215 HydrophobicContact CD1-CD2 4.04Å; L179-Y215 HydrophobicContact CD1-CE2 3.52Å; A182-Y215 HydrophobicContact CB-CD2 4.19Å; A182-Y215 HydrophobicContact CB-CG 3.92Å; K183-Y215 HydrophobicContact CB-CE1 4.32Å; K183-Y215 WeakPolarHBondContact CE-OH 2.97Å; K183-Y215 HydrophobicContact CG-CD1 4.19Å; K183-Y215 HydrophobicContact CG-CE1 3.47Å; K183-Y215 VanDerWaalsContact CG-CE1 3.47Å; K183-Y215 HydrophobicContact CG-CE2 4.44Å; L186-Y215 HydrophobicContact CB-CD1 3.96Å; L186-Y215 HydrophobicContact CD2-CD1 3.6Å; L186-Y215 HydrophobicContact CD2-CE1 4.07Å; L186-Y215 HydrophobicContact CG-CD1 4.42Å; E211-Y215 HydrophobicContact CG-CE2 3.9Å; E211-Y215 WeakPolarHBondContact O-CD2 3.43Å; E211-Y215 WeakPolarHBondContact O-CE2 3.48Å; M212-Y215 PolarHBondContact O-N 2.93Å; M212-Y215 VanDerWaalsContact O-N 3.16Å; I213-Y215 PolarHBondContact O-N 3.32Å; I213-Y215 VanDerWaalsContact O-N 3.08Å; Y215-A253 HydrophobicContact CD1-CB 3.89Å; Y215-A253 HydrophobicContact CE1-CB 3.36Å; Y215-A253 HydrophobicContact CE2-CB 4.14Å; Y215-A253 HydrophobicContact CG-CB 4.46Å; Y215-A253 VanDerWaalsContact CZ-CB 3.49Å
216	S	98.9	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.			trans	-86.9	131.8	-170	-63.6	0	0	0	0	112.6	F192 F194 M212 I213 F252 R260	F192-S216 WeakPolarHBondContact CD1-OG 3.5Å; F194-S216 WeakPolarHBondContact CB-OG 3.37Å; M212-S216 PolarHBondContact O-N 3.18Å; M212-S216 PolarHBondContact O-OG 3Å; I213-S216 PolarHBondContact O-N 3.15Å; S216-F252 VanDerWaalsContact O-CE1 3.27Å; S216-F252 WeakPolarHBondContact O-CE1 3.32Å; S216-F252 VanDerWaalsContact O-CZ 3.29Å; S216-F252 WeakPolarHBondContact O-CZ 3.31Å; S216-R260 WeakPolarHBondContact O-CG 3.36Å; S216-R260 PolarHBondContact O-NE 3.4Å
217	N	98.9	Very high	98.2	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.123	15%	0.148	C	C	.	.	S	Bend	trans	-85.3	-32.3	171.5	-55.1	85.8	0	0	0	111.6	K190 L191 F192 R260 L261	K190-N217 PolarHBondContact O-OD1 2.79Å; K190-N217 VanDerWaalsContact O-OD1 3.06Å; L191-N217 HydrophobicContact CD1-CB 3.61Å; F192-N217 PolarHBondContact N-OD1 3.12Å; F192-N217 PolarHBondContact O-N 2.7Å; N217-R260 CarbonylContact O-C 3.6Å; N217-R260 WeakPolarHBondContact O-CA 3.2Å; N217-L261 PolarHBondContact O-N 3.46Å
218	I	98.9	Very high	98.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.8	176.1	-50.9	-173.9	0	0	0	108.7	L191 F192 C193 F194 F220 L261 F308 Y312	L191-I218 HydrophobicContact CD1-CD1 4.11Å; L191-I218 HydrophobicContact CD1-CG1 4.1Å; L191-I218 HydrophobicContact CD2-CD1 4.18Å; L191-I218 HydrophobicContact CG-CD1 4.46Å; F192-I218 PolarHBondContact O-N 3.37Å; F192-I218 VanDerWaalsContact O-N 3.12Å; C193-I218 WeakPolarHBondContact CA-O 3.5Å; C193-I218 HydrophobicContact CB-CB 4.41Å; F194-I218 PolarHBondContact N-O 3.29Å; I218-F220 HydrophobicContact CB-CE2 4.35Å; I218-F220 HydrophobicContact CG2-CD2 4.07Å; I218-F220 HydrophobicContact CG2-CE1 4.37Å; I218-F220 HydrophobicContact CG2-CE2 3.53Å; I218-F220 HydrophobicContact CG2-CZ 3.71Å; I218-L261 CarbonylContact C-O 3.54Å; I218-L261 VanDerWaalsContact CA-O 3.29Å; I218-L261 WeakPolarHBondContact CA-O 3.35Å; I218-L261 HydrophobicContact CD1-CD2 4.29Å; I218-L261 HydrophobicContact CG1-CB 4.28Å; I218-L261 HydrophobicContact CG1-CD2 4.42Å; I218-L261 HydrophobicContact CG2-CB 4.44Å; I218-L261 HydrophobicContact CG2-CD2 4.2Å; I218-L261 HydrophobicContact CG2-CG 4.37Å; I218-F308 HydrophobicContact CD1-CE1 3.89Å; I218-Y312 HydrophobicContact CD1-CD1 4.04Å; I218-Y312 HydrophobicContact CD1-CE1 4.05Å
219	V	98.9	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.6	173.6	-176.2	0	0	0	0	109.1	F194 L196 I213 I247 R260 L261 V262 I263	F194-V219 HydrophobicContact CD1-CG1 4.42Å; F194-V219 CarbonylContact O-C 3.55Å; F194-V219 WeakPolarHBondContact O-CA 3.2Å; L196-V219 HydrophobicContact CD2-CG1 3.99Å; L196-V219 HydrophobicContact CG-CG1 4.22Å; I213-V219 HydrophobicContact CG1-CG2 4.25Å; I213-V219 HydrophobicContact CG2-CG2 4.45Å; V219-I247 HydrophobicContact CB-CG2 3.96Å; V219-I247 HydrophobicContact CG1-CG2 3.94Å; V219-I247 HydrophobicContact CG2-CG2 3.96Å; V219-R260 HydrophobicContact CG2-CG 4.43Å; V219-L261 PolarHBondContact N-O 3Å; V219-V262 HydrophobicContact CB-CG2 4.45Å; V219-V262 WeakPolarHBondContact O-CA 3.43Å; V219-I263 PolarHBondContact O-N 3.25Å
220	F	98.9	Very high	98.1	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.022	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145	171.2	-63.3	-85.5	0	0	0	109.9	Y165 C193 F194 N195 L196 I218 I263 F304 A305 F308 I309	Y165-F220 HydrophobicContact CE2-CD2 4.15Å; Y165-F220 HydrophobicContact CE2-CE2 4.38Å; C193-F220 HydrophobicContact CB-CE2 4.22Å; F194-F220 PolarHBondContact O-N 3.4Å; N195-F220 CarbonylContact C-O 3.56Å; N195-F220 WeakPolarHBondContact CA-O 3.2Å; N195-F220 HydrophobicContact CB-CB 4.24Å; L196-F220 PolarHBondContact N-O 2.63Å; I218-F220 HydrophobicContact CB-CE2 4.35Å; I218-F220 HydrophobicContact CG2-CD2 4.07Å; I218-F220 HydrophobicContact CG2-CE1 4.37Å; I218-F220 HydrophobicContact CG2-CE2 3.53Å; I218-F220 HydrophobicContact CG2-CZ 3.71Å; F220-I263 WeakPolarHBondContact CA-O 3.46Å; F220-I263 HydrophobicContact CD1-CB 4.27Å; F220-I263 HydrophobicContact CD1-CD1 4.3Å; F220-I263 HydrophobicContact CE1-CD1 3.78Å; F220-I263 HydrophobicContact CZ-CD1 4.49Å; F220-F304 HydrophobicContact CD1-CD1 4.28Å; F220-F304 HydrophobicContact CD1-CE1 4.23Å; F220-F304 HydrophobicContact CE1-CD1 4.36Å; F220-F304 HydrophobicContact CE1-CE1 4.19Å; F220-A305 HydrophobicContact CD1-CB 4.32Å; F220-A305 HydrophobicContact CD2-CB 4.28Å; F220-A305 HydrophobicContact CE1-CB 4.32Å; F220-A305 HydrophobicContact CE2-CB 4.29Å; F220-A305 HydrophobicContact CG-CB 4.29Å; F220-A305 HydrophobicContact CZ-CB 4.31Å; F220-F308 HydrophobicContact CE1-CB 4.03Å; F220-F308 HydrophobicContact CE1-CD1 4.11Å; F220-F308 HydrophobicContact CE1-CG 4.06Å; F220-F308 HydrophobicContact CZ-CB 4.13Å; F220-F308 AromaticContact CZ-CD1 3.71Å; F220-F308 HydrophobicContact CZ-CD1 3.71Å; F220-F308 HydrophobicContact CZ-CG 4.09Å; F220-I309 HydrophobicContact CE2-CD1 3.96Å; F220-I309 HydrophobicContact CE2-CG1 4.14Å; F220-I309 HydrophobicContact CZ-CD1 4.27Å; F220-I309 HydrophobicContact CZ-CG1 4.02Å
221	G	97.8	Very high	98.1	Very high	6 Å²	6	25 Å²	25	6%	0.062	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	179.5	167.5	0	0	0	0	0	112.1	E225 I263 I264 T265	G221-E225 WeakPolarHBondContact CA-OE2 3.45Å; G221-I263 PolarHBondContact N-O 3.04Å; G221-I264 WeakPolarHBondContact O-CA 2.95Å; G221-T265 PolarHBondContact O-N 3.2Å; G221-T265 PolarHBondContact O-OG1 3.22Å; G221-T265 VanDerWaalsContact O-OG1 3.14Å
222	N	95.9	Very high	98.1	Very high	47 Å²	47	25.6 Å²	25.6	25%	0.251	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	176.5	169.2	65.2	43.4	0	0	0	112.4	S224 E225 A226 T265	N222-S224 PolarHBondContact O-N 3.18Å; N222-S224 PolarHBondContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 2.92Å; N222-E225 PolarHBondContact N-OE2 3.39Å; N222-E225 PolarHBondContact ND2-OE1 2.91Å; N222-E225 PolarHBondContact O-N 3.22Å; N222-E225 WeakPolarHBondContact OD1-CB 3.43Å; N222-E225 VanDerWaalsContact OD1-CD 3.3Å; N222-E225 VanDerWaalsContact OD1-CG 3.31Å; N222-E225 WeakPolarHBondContact OD1-CG 3.4Å; N222-E225 PolarHBondContact OD1-N 3.15Å; N222-A226 WeakPolarHBondContact O-CB 3.39Å; N222-A226 PolarHBondContact O-N 2.96Å; N222-T265 CarbonylContact C-O 3.58Å; N222-T265 WeakPolarHBondContact CA-O 3.36Å; N222-T265 WeakPolarHBondContact CB-OG1 3.49Å
223	E	95.8	Very high	98	Very high	45 Å²	45	27.6 Å²	27.6	21%	0.21	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-46.2	-177.4	-168.3	156.8	-151.5	0	0	112.8	A226 E227 V240 T265 R266	E223-A226 PolarHBondContact O-N 3.44Å; E223-E227 WeakPolarHBondContact O-CB 3.49Å; E223-E227 VanDerWaalsContact O-CG 3.26Å; E223-E227 WeakPolarHBondContact O-CG 3.4Å; E223-E227 PolarHBondContact O-N 3.18Å; E223-V240 HydrophobicContact CG-CG2 4.14Å; E223-T265 PolarHBondContact N-O 3.35Å; E223-R266 HydrophobicContact CB-CG 4.2Å; E223-R266 HydrophobicContact CG-CG 4.48Å; E223-R266 IonicContact OE1-CZ 3.86Å; E223-R266 VanDerWaalsContact OE1-CZ 3.31Å; E223-R266 IonicContact OE1-NE 2.74Å; E223-R266 PolarHBondContact OE1-NE 3.48Å; E223-R266 IonicContact OE1-NH2 2.69Å; E223-R266 PolarHBondContact OE1-NH2 3.01Å; E223-R266 WeakPolarHBondContact OE2-CB 3.47Å; E223-R266 IonicContact OE2-NE 2.95Å
224	S	94	Very high	98	Very high	56 Å²	56	30.1 Å²	30.1	39%	0.392	17%	0.171	S	C	.	.	H	α-helix	trans	-71.9	-33.5	-178	61.8	0	0	0	0	113.1	N222 A228	N222-S224 PolarHBondContact O-N 3.18Å; N222-S224 PolarHBondContact OD1-N 3.14Å; N222-S224 PolarHBondContact OD1-OG 2.92Å; S224-A228 WeakPolarHBondContact O-CB 2.97Å; S224-A228 PolarHBondContact O-N 3.44Å; S224-A228 VanDerWaalsContact O-N 3.08Å
225	E	96.6	Very high	98	Very high	9 Å²	9	30.7 Å²	30.7	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-42.8	171.2	-71.3	154.5	-164.9	0	0	111.3	L196 S197 A198 P199 G221 N222 A228 Y229	L196-E225 HydrophobicContact CB-CB 4.02Å; L196-E225 HydrophobicContact CB-CG 4.26Å; L196-E225 HydrophobicContact CD1-CB 4.1Å; S197-E225 VanDerWaalsContact O-OE1 3.08Å; A198-E225 PolarHBondContact N-OE1 2.94Å; P199-E225 HydrophobicContact CG-CG 4.35Å; G221-E225 WeakPolarHBondContact CA-OE2 3.45Å; N222-E225 PolarHBondContact N-OE2 3.39Å; N222-E225 PolarHBondContact ND2-OE1 2.91Å; N222-E225 PolarHBondContact O-N 3.22Å; N222-E225 WeakPolarHBondContact OD1-CB 3.43Å; N222-E225 VanDerWaalsContact OD1-CD 3.3Å; N222-E225 VanDerWaalsContact OD1-CG 3.31Å; N222-E225 WeakPolarHBondContact OD1-CG 3.4Å; N222-E225 PolarHBondContact OD1-N 3.15Å; E225-A228 PolarHBondContact O-N 3.32Å; E225-Y229 VanDerWaalsContact O-CB 3.29Å; E225-Y229 WeakPolarHBondContact O-CB 3.18Å; E225-Y229 PolarHBondContact O-N 2.83Å
226	A	98.3	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-40.9	177.9	0	0	0	0	0	111.9	N222 E223 Y229 G230 V240 T243 I264	N222-A226 WeakPolarHBondContact O-CB 3.39Å; N222-A226 PolarHBondContact O-N 2.96Å; E223-A226 PolarHBondContact O-N 3.44Å; A226-Y229 PolarHBondContact O-N 3Å; A226-G230 PolarHBondContact O-N 2.91Å; A226-V240 HydrophobicContact CB-CG1 4.08Å; A226-T243 HydrophobicContact CB-CG2 3.99Å; A226-T243 PolarHBondContact O-OG1 3.5Å; A226-T243 VanDerWaalsContact O-OG1 3.06Å; A226-I264 HydrophobicContact CB-CD1 4.36Å; A226-I264 HydrophobicContact CB-CG2 3.94Å
227	E	98.3	Very high	97.7	Very high	94 Å²	94	44.3 Å²	44.3	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-50.4	173.3	-74.8	170.8	167.3	0	0	111.3	E223 Y229 G230 E231 V240	E223-E227 WeakPolarHBondContact O-CB 3.49Å; E223-E227 VanDerWaalsContact O-CG 3.26Å; E223-E227 WeakPolarHBondContact O-CG 3.4Å; E223-E227 PolarHBondContact O-N 3.18Å; E227-Y229 PolarHBondContact O-N 2.8Å; E227-G230 PolarHBondContact O-N 3.48Å; E227-E231 WeakPolarHBondContact O-CB 3.35Å; E227-E231 PolarHBondContact O-N 3.05Å; E227-V240 HydrophobicContact CG-CG2 3.81Å
228	A	97.8	Very high	97.6	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-40.4	180	0	0	0	0	0	112.7	P199 Q203 S224 E225 V232	P199-A228 HydrophobicContact CB-CB 3.69Å; Q203-A228 HydrophobicContact CG-CB 4.16Å; S224-A228 WeakPolarHBondContact O-CB 2.97Å; S224-A228 PolarHBondContact O-N 3.44Å; S224-A228 VanDerWaalsContact O-N 3.08Å; E225-A228 PolarHBondContact O-N 3.32Å; A228-V232 VanDerWaalsContact O-CG2 3.28Å; A228-V232 WeakPolarHBondContact O-CG2 3.4Å; A228-V232 PolarHBondContact O-N 2.84Å
229	Y	98.8	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-47.7	174.7	-176.8	-81.3	0	0	0	111.2	V209 D210 I213 E225 A226 E227 E231 V232 H233 T243 Y246 I247	V209-Y229 HydrophobicContact CG1-CD2 4.12Å; V209-Y229 HydrophobicContact CG1-CE2 3.89Å; D210-Y229 VanDerWaalsContact OD1-CE2 3.24Å; D210-Y229 WeakPolarHBondContact OD1-CE2 3.5Å; D210-Y229 VanDerWaalsContact OD1-CZ 3.29Å; D210-Y229 PolarHBondContact OD1-OH 3.5Å; I213-Y229 HydrophobicContact CD1-CE2 3.84Å; E225-Y229 VanDerWaalsContact O-CB 3.29Å; E225-Y229 WeakPolarHBondContact O-CB 3.18Å; E225-Y229 PolarHBondContact O-N 2.83Å; A226-Y229 PolarHBondContact O-N 3Å; E227-Y229 PolarHBondContact O-N 2.8Å; Y229-E231 PolarHBondContact O-N 2.86Å; Y229-V232 PolarHBondContact O-N 2.82Å; Y229-H233 AromaticContact CD1-CE1 3.99Å; Y229-H233 AromaticContact CD1-ND1 3.57Å; Y229-H233 AromaticContact CD2-CE1 3.89Å; Y229-H233 AromaticContact CE1-CE1 3.5Å; Y229-H233 AromaticContact CE1-CG 3.86Å; Y229-H233 AromaticContact CE1-ND1 3.38Å; Y229-H233 WeakPolarHBondContact CE1-ND1 3.34Å; Y229-H233 AromaticContact CE2-CE1 3.36Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.41Å; Y229-H233 AromaticContact CE2-ND1 3.93Å; Y229-H233 AromaticContact CG-ND1 3.94Å; Y229-H233 AromaticContact CZ-CE1 3.15Å; Y229-H233 AromaticContact CZ-ND1 3.58Å; Y229-H233 AromaticContact CZ-NE2 3.62Å; Y229-H233 PolarHBondContact O-N 3.2Å; Y229-H233 VanDerWaalsContact O-N 3.15Å; Y229-H233 PolarHBondContact O-ND1 3.25Å; Y229-H233 PolarHBondContact OH-CE1 2.71Å; Y229-H233 PolarHBondContact OH-NE2 3.01Å; Y229-T243 HydrophobicContact CD1-CG2 3.5Å; Y229-T243 VanDerWaalsContact CD1-CG2 3.5Å; Y229-T243 HydrophobicContact CE1-CG2 4.27Å; Y229-T243 HydrophobicContact CG-CG2 4.09Å; Y229-Y246 AromaticContact CE1-CD1 3.74Å; Y229-Y246 HydrophobicContact CE1-CD1 3.74Å; Y229-Y246 HydrophobicContact CE1-CE1 4.2Å; Y229-Y246 WeakPolarHBondContact OH-CE1 3.23Å; Y229-I247 HydrophobicContact CD1-CD1 4.16Å; Y229-I247 HydrophobicContact CD1-CG1 4.23Å; Y229-I247 HydrophobicContact CE1-CD1 4.1Å; Y229-I247 HydrophobicContact CE1-CG1 3.7Å; Y229-I247 HydrophobicContact CG-CD1 4.37Å
230	G	98.7	Very high	97.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-40.6	-179.5	0	0	0	0	0	113	A226 E227 V232 H233 G234 L235 T243	A226-G230 PolarHBondContact O-N 2.91Å; E227-G230 PolarHBondContact O-N 3.48Å; G230-V232 PolarHBondContact O-N 2.89Å; G230-H233 CarbonylContact O-C 3.55Å; G230-H233 PolarHBondContact O-N 3.29Å; G230-G234 PolarHBondContact O-N 3.5Å; G230-L235 WeakPolarHBondContact O-CB 3.48Å; G230-L235 PolarHBondContact O-N 3.46Å; G230-T243 WeakPolarHBondContact CA-OG1 3.48Å; G230-T243 PolarHBondContact N-OG1 3.03Å
231	E	98.5	Very high	97.5	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.603	28%	0.281	S	S	*	.	H	α-helix	trans	-57.2	-47.6	175.4	-175.3	-179.6	-172.5	0	0	111.6	E227 Y229 H233 G234	E227-E231 WeakPolarHBondContact O-CB 3.35Å; E227-E231 PolarHBondContact O-N 3.05Å; Y229-E231 PolarHBondContact O-N 2.86Å; E231-H233 PolarHBondContact O-N 2.89Å; E231-G234 PolarHBondContact O-N 3.48Å
232	V	98.4	Very high	97.6	Very high	65 Å²	65	52.9 Å²	52.9	39%	0.394	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-29.4	179.9	175.6	0	0	0	0	112.2	Q203 T206 A228 Y229 G230 G234	Q203-V232 HydrophobicContact CG-CG2 4.15Å; T206-V232 HydrophobicContact CG2-CG1 3.62Å; A228-V232 VanDerWaalsContact O-CG2 3.28Å; A228-V232 WeakPolarHBondContact O-CG2 3.4Å; A228-V232 PolarHBondContact O-N 2.84Å; Y229-V232 PolarHBondContact O-N 2.82Å; G230-V232 PolarHBondContact O-N 2.89Å; V232-G234 VanDerWaalsContact C-N 3.35Å
233	H	98.7	Very high	97.7	Very high	43 Å²	43	50.6 Å²	50.6	20%	0.199	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.2	176.2	-70.6	81.6	0	0	0	113.8	D210 Y229 G230 E231 L235 Y246	D210-H233 IonicContact OD1-CE1 3.88Å; D210-H233 IonicContact OD1-NE2 3.15Å; D210-H233 PolarHBondContact OD1-NE2 3.08Å; D210-H233 IonicContact OD2-CE1 3.98Å; D210-H233 IonicContact OD2-NE2 3.45Å; D210-H233 PolarHBondContact OD2-NE2 3.08Å; D210-H233 VanDerWaalsContact OD2-NE2 3.14Å; Y229-H233 AromaticContact CD1-CE1 3.99Å; Y229-H233 AromaticContact CD1-ND1 3.57Å; Y229-H233 AromaticContact CD2-CE1 3.89Å; Y229-H233 AromaticContact CE1-CE1 3.5Å; Y229-H233 AromaticContact CE1-CG 3.86Å; Y229-H233 AromaticContact CE1-ND1 3.38Å; Y229-H233 WeakPolarHBondContact CE1-ND1 3.34Å; Y229-H233 AromaticContact CE2-CE1 3.36Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.41Å; Y229-H233 AromaticContact CE2-ND1 3.93Å; Y229-H233 AromaticContact CG-ND1 3.94Å; Y229-H233 AromaticContact CZ-CE1 3.15Å; Y229-H233 AromaticContact CZ-ND1 3.58Å; Y229-H233 AromaticContact CZ-NE2 3.62Å; Y229-H233 PolarHBondContact O-N 3.2Å; Y229-H233 VanDerWaalsContact O-N 3.15Å; Y229-H233 PolarHBondContact O-ND1 3.25Å; Y229-H233 PolarHBondContact OH-CE1 2.71Å; Y229-H233 PolarHBondContact OH-NE2 3.01Å; G230-H233 CarbonylContact O-C 3.55Å; G230-H233 PolarHBondContact O-N 3.29Å; E231-H233 PolarHBondContact O-N 2.89Å; H233-L235 VanDerWaalsContact C-N 3.3Å; H233-L235 HydrophobicContact CB-CD1 4.18Å; H233-L235 HydrophobicContact CB-CG 3.93Å; H233-L235 PolarHBondContact O-N 2.9Å; H233-Y246 AromaticContact CD2-CE1 3.51Å; H233-Y246 AromaticContact CD2-CZ 3.68Å; H233-Y246 AromaticContact NE2-CE1 3.93Å
234	G	98.4	Very high	97.9	Very high	52 Å²	52	48.5 Å²	48.5	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	21.9	-179.7	0	0	0	0	0	114.5	G230 E231 V232 L236	G230-G234 PolarHBondContact O-N 3.5Å; E231-G234 PolarHBondContact O-N 3.48Å; V232-G234 VanDerWaalsContact C-N 3.35Å; G234-L236 VanDerWaalsContact C-N 3.32Å; G234-L236 PolarHBondContact O-N 3.11Å; G234-L236 VanDerWaalsContact O-N 3.11Å
235	L	98.4	Very high	98.1	Very high	34 Å²	34	48.3 Å²	48.3	18%	0.178	26%	0.259	C	S	.	.			trans	-85.5	69.1	179.3	-52.2	-178.9	0	0	0	110.5	G230 H233 T239 A242 Y246	G230-L235 WeakPolarHBondContact O-CB 3.48Å; G230-L235 PolarHBondContact O-N 3.46Å; H233-L235 VanDerWaalsContact C-N 3.3Å; H233-L235 HydrophobicContact CB-CD1 4.18Å; H233-L235 HydrophobicContact CB-CG 3.93Å; H233-L235 PolarHBondContact O-N 2.9Å; L235-T239 WeakPolarHBondContact O-CA 3.47Å; L235-T239 VanDerWaalsContact O-CB 3.3Å; L235-T239 WeakPolarHBondContact O-CB 3.33Å; L235-T239 VanDerWaalsContact O-CG2 3.31Å; L235-T239 WeakPolarHBondContact O-CG2 3.48Å; L235-T239 PolarHBondContact O-OG1 3.24Å; L235-A242 HydrophobicContact CB-CB 3.99Å; L235-A242 HydrophobicContact CD1-CB 4.3Å; L235-Y246 HydrophobicContact CD1-CD2 4.29Å; L235-Y246 HydrophobicContact CD1-CG 4.03Å; L235-Y246 HydrophobicContact CD2-CD2 4.38Å
236	L	96	Very high	98.2	Very high	141 Å²	141	52.2 Å²	52.2	74%	0.738	27%	0.274	S	S	*	.			trans	-80.7	-19.1	-167.8	-56.5	179.8	0	0	0	115	G234	G234-L236 VanDerWaalsContact C-N 3.32Å; G234-L236 PolarHBondContact O-N 3.11Å; G234-L236 VanDerWaalsContact O-N 3.11Å
237	E	96.6	Very high	98.2	Very high	173 Å²	173	52.2 Å²	52.2	81%	0.808	27%	0.274	S	S	*	.	S	Bend	trans	-104.5	130.4	178.3	-170.8	174.9	-171.9	0	0	109.9	T239	E237-T239 PolarHBondContact O-N 2.92Å
238	D	95.9	Very high	98.2	Very high	102 Å²	102	47.8 Å²	47.8	55%	0.545	25%	0.253	S	S	.	.	S	Bend	trans	45.8	46.8	-176	-161	10.6	0	0	0	113	V240 H241 A242	D238-V240 PolarHBondContact O-N 2.95Å; D238-H241 VanDerWaalsContact CG-ND1 3.28Å; D238-H241 PolarHBondContact O-N 2.95Å; D238-H241 IonicContact OD1-CE1 3.12Å; D238-H241 IonicContact OD1-CG 3.23Å; D238-H241 IonicContact OD1-ND1 2.74Å; D238-H241 PolarHBondContact OD1-ND1 3.5Å; D238-H241 WeakPolarHBondContact OD2-CB 3.39Å; D238-H241 IonicContact OD2-CG 3.06Å; D238-H241 IonicContact OD2-ND1 2.61Å; D238-H241 PolarHBondContact OD2-ND1 2.9Å; D238-A242 PolarHBondContact O-N 3Å
239	T	98.4	Very high	98.3	Very high	35 Å²	35	51.5 Å²	51.5	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-47.3	-41.2	-164.2	-57	0	0	0	0	114.2	L235 E237 T243	L235-T239 WeakPolarHBondContact O-CA 3.47Å; L235-T239 VanDerWaalsContact O-CB 3.3Å; L235-T239 WeakPolarHBondContact O-CB 3.33Å; L235-T239 VanDerWaalsContact O-CG2 3.31Å; L235-T239 WeakPolarHBondContact O-CG2 3.48Å; L235-T239 PolarHBondContact O-OG1 3.24Å; E237-T239 PolarHBondContact O-N 2.92Å; T239-T243 WeakPolarHBondContact O-CB 3.25Å; T239-T243 PolarHBondContact O-N 3.35Å; T239-T243 PolarHBondContact O-OG1 2.88Å
240	V	98.4	Very high	98.3	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-44.5	-178.5	-174.1	0	0	0	0	111.4	E223 A226 E227 D238 T243 A244 I264 L272	E223-V240 HydrophobicContact CG-CG2 4.14Å; A226-V240 HydrophobicContact CB-CG1 4.08Å; E227-V240 HydrophobicContact CG-CG2 3.81Å; D238-V240 PolarHBondContact O-N 2.95Å; V240-T243 PolarHBondContact O-N 3.02Å; V240-A244 PolarHBondContact O-N 3.26Å; V240-I264 HydrophobicContact CG1-CG2 3.99Å; V240-L272 HydrophobicContact CG1-CD1 3.89Å
241	H	98.6	Very high	98.3	Very high	39 Å²	39	57.7 Å²	57.7	18%	0.181	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-44	175.9	-68.4	90.6	0	0	0	111	D238 T243 A244 R245 I281	D238-H241 VanDerWaalsContact CG-ND1 3.28Å; D238-H241 PolarHBondContact O-N 2.95Å; D238-H241 IonicContact OD1-CE1 3.12Å; D238-H241 IonicContact OD1-CG 3.23Å; D238-H241 IonicContact OD1-ND1 2.74Å; D238-H241 PolarHBondContact OD1-ND1 3.5Å; D238-H241 WeakPolarHBondContact OD2-CB 3.39Å; D238-H241 IonicContact OD2-CG 3.06Å; D238-H241 IonicContact OD2-ND1 2.61Å; D238-H241 PolarHBondContact OD2-ND1 2.9Å; H241-T243 VanDerWaalsContact C-N 3.27Å; H241-T243 PolarHBondContact O-N 2.84Å; H241-A244 PolarHBondContact O-N 3.07Å; H241-R245 PolarHBondContact O-N 3.49Å; H241-I281 HydrophobicContact CB-CD1 3.8Å; H241-I281 WeakPolarHBondContact O-CD1 3.49Å
242	A	98.7	Very high	98.3	Very high	29 Å²	29	52.2 Å²	52.2	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-40	176.1	0	0	0	0	0	111.6	L235 D238 R245 Y246	L235-A242 HydrophobicContact CB-CB 3.99Å; L235-A242 HydrophobicContact CD1-CB 4.3Å; D238-A242 PolarHBondContact O-N 3Å; A242-R245 PolarHBondContact O-N 3.23Å; A242-Y246 VanDerWaalsContact O-CB 3.3Å; A242-Y246 WeakPolarHBondContact O-CB 3.31Å; A242-Y246 PolarHBondContact O-N 2.74Å
243	T	98.8	Very high	98.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-47	175.8	-65	0	0	0	0	112.2	A226 Y229 G230 T239 V240 H241 R245 Y246 I247	A226-T243 HydrophobicContact CB-CG2 3.99Å; A226-T243 PolarHBondContact O-OG1 3.5Å; A226-T243 VanDerWaalsContact O-OG1 3.06Å; Y229-T243 HydrophobicContact CD1-CG2 3.5Å; Y229-T243 VanDerWaalsContact CD1-CG2 3.5Å; Y229-T243 HydrophobicContact CE1-CG2 4.27Å; Y229-T243 HydrophobicContact CG-CG2 4.09Å; G230-T243 WeakPolarHBondContact CA-OG1 3.48Å; G230-T243 PolarHBondContact N-OG1 3.03Å; T239-T243 WeakPolarHBondContact O-CB 3.25Å; T239-T243 PolarHBondContact O-N 3.35Å; T239-T243 PolarHBondContact O-OG1 2.88Å; V240-T243 PolarHBondContact O-N 3.02Å; H241-T243 VanDerWaalsContact C-N 3.27Å; H241-T243 PolarHBondContact O-N 2.84Å; T243-R245 VanDerWaalsContact C-N 3.25Å; T243-R245 PolarHBondContact O-N 2.55Å; T243-Y246 PolarHBondContact O-N 3.47Å; T243-I247 HydrophobicContact CG2-CD1 3.67Å; T243-I247 HydrophobicContact CG2-CG1 4.19Å; T243-I247 WeakPolarHBondContact O-CB 3.45Å; T243-I247 WeakPolarHBondContact O-CG1 3.28Å; T243-I247 PolarHBondContact O-N 3.47Å
244	A	98.8	Very high	98.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-42.3	177.1	0	0	0	0	0	111.5	V240 H241 A248 V262 I264 T274 I281	V240-A244 PolarHBondContact O-N 3.26Å; H241-A244 PolarHBondContact O-N 3.07Å; A244-A248 WeakPolarHBondContact O-CB 3.22Å; A244-A248 PolarHBondContact O-N 3.47Å; A244-A248 VanDerWaalsContact O-N 3.15Å; A244-V262 HydrophobicContact CB-CG1 4.47Å; A244-I264 HydrophobicContact CB-CG1 4.1Å; A244-T274 HydrophobicContact CB-CG2 4.43Å; A244-I281 HydrophobicContact CB-CD1 4.36Å
245	R	98.8	Very high	98.3	Very high	53 Å²	53	53 Å²	53	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-51	173.6	174.9	54.2	57.8	-157.5	0.7	112.2	H241 A242 T243 I247 A248 D249 T274 D278 S279 E280 I281	H241-R245 PolarHBondContact O-N 3.49Å; A242-R245 PolarHBondContact O-N 3.23Å; T243-R245 VanDerWaalsContact C-N 3.25Å; T243-R245 PolarHBondContact O-N 2.55Å; R245-I247 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 3.41Å; R245-D249 WeakPolarHBondContact CD-OD2 3.47Å; R245-D249 IonicContact NH1-OD1 2.72Å; R245-D249 PolarHBondContact NH1-OD1 3.07Å; R245-D249 VanDerWaalsContact NH1-OD1 3.12Å; R245-D249 IonicContact NH1-OD2 3.94Å; R245-D249 PolarHBondContact O-N 2.86Å; R245-T274 PolarHBondContact NH2-OG1 3.08Å; R245-D278 PolarHBondContact NH1-O 3.08Å; R245-D278 PolarHBondContact NH2-O 3.39Å; R245-S279 PolarHBondContact NH2-O 3.42Å; R245-E280 PolarHBondContact NH2-O 3.43Å; R245-I281 HydrophobicContact CB-CD1 4.26Å
246	Y	98.8	Very high	98.2	Very high	90 Å²	90	56.8 Å²	56.8	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-48.1	-177.3	-173.6	-87.4	0	0	0	111.8	Y229 H233 L235 A242 T243 A248 D249 L250	Y229-Y246 AromaticContact CE1-CD1 3.74Å; Y229-Y246 HydrophobicContact CE1-CD1 3.74Å; Y229-Y246 HydrophobicContact CE1-CE1 4.2Å; Y229-Y246 WeakPolarHBondContact OH-CE1 3.23Å; H233-Y246 AromaticContact CD2-CE1 3.51Å; H233-Y246 AromaticContact CD2-CZ 3.68Å; H233-Y246 AromaticContact NE2-CE1 3.93Å; L235-Y246 HydrophobicContact CD1-CD2 4.29Å; L235-Y246 HydrophobicContact CD1-CG 4.03Å; L235-Y246 HydrophobicContact CD2-CD2 4.38Å; A242-Y246 VanDerWaalsContact O-CB 3.3Å; A242-Y246 WeakPolarHBondContact O-CB 3.31Å; A242-Y246 PolarHBondContact O-N 2.74Å; T243-Y246 PolarHBondContact O-N 3.47Å; Y246-A248 VanDerWaalsContact C-N 3.33Å; Y246-A248 PolarHBondContact O-N 3.21Å; Y246-D249 PolarHBondContact O-N 2.84Å; Y246-L250 HydrophobicContact CD1-CD1 4.18Å; Y246-L250 HydrophobicContact CD1-CG 4.14Å; Y246-L250 HydrophobicContact CE1-CD1 3.87Å; Y246-L250 HydrophobicContact CE1-CD2 4.02Å; Y246-L250 HydrophobicContact CE1-CG 3.84Å; Y246-L250 PolarHBondContact O-N 3.03Å
247	I	98.9	Very high	98.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-41.3	177.8	-66.1	177.6	0	0	0	110.7	L196 I213 V219 Y229 T243 R245 D249 R260 V262	L196-I247 HydrophobicContact CD1-CD1 4.09Å; L196-I247 HydrophobicContact CD2-CD1 4.44Å; I213-I247 HydrophobicContact CD1-CD1 4.31Å; I213-I247 HydrophobicContact CD1-CG1 4.15Å; I213-I247 HydrophobicContact CD1-CG2 4.15Å; I213-I247 HydrophobicContact CG1-CG2 4.39Å; I213-I247 HydrophobicContact CG2-CG2 3.92Å; V219-I247 HydrophobicContact CB-CG2 3.96Å; V219-I247 HydrophobicContact CG1-CG2 3.94Å; V219-I247 HydrophobicContact CG2-CG2 3.96Å; Y229-I247 HydrophobicContact CD1-CD1 4.16Å; Y229-I247 HydrophobicContact CD1-CG1 4.23Å; Y229-I247 HydrophobicContact CE1-CD1 4.1Å; Y229-I247 HydrophobicContact CE1-CG1 3.7Å; Y229-I247 HydrophobicContact CG-CD1 4.37Å; T243-I247 HydrophobicContact CG2-CD1 3.67Å; T243-I247 HydrophobicContact CG2-CG1 4.19Å; T243-I247 WeakPolarHBondContact O-CB 3.45Å; T243-I247 WeakPolarHBondContact O-CG1 3.28Å; T243-I247 PolarHBondContact O-N 3.47Å; R245-I247 PolarHBondContact O-N 3.21Å; I247-D249 VanDerWaalsContact C-N 3.33Å; I247-D249 PolarHBondContact O-N 2.78Å; I247-R260 VanDerWaalsContact O-CD 3.29Å; I247-R260 WeakPolarHBondContact O-CD 3.32Å; I247-R260 PolarHBondContact O-NH1 2.91Å; I247-V262 HydrophobicContact CB-CG1 4.41Å; I247-V262 HydrophobicContact CB-CG2 4.09Å; I247-V262 HydrophobicContact CG2-CG1 4.2Å; I247-V262 HydrophobicContact CG2-CG2 3.6Å
248	A	98.8	Very high	98.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-41.8	179.9	0	0	0	0	0	111.5	A244 R245 Y246 V262 T274 S276	A244-A248 WeakPolarHBondContact O-CB 3.22Å; A244-A248 PolarHBondContact O-N 3.47Å; A244-A248 VanDerWaalsContact O-N 3.15Å; R245-A248 PolarHBondContact O-N 3.41Å; Y246-A248 VanDerWaalsContact C-N 3.33Å; Y246-A248 PolarHBondContact O-N 3.21Å; A248-V262 HydrophobicContact CB-CG2 3.75Å; A248-T274 HydrophobicContact CB-CG2 3.91Å; A248-S276 WeakPolarHBondContact O-CB 3.31Å
249	D	98.6	Very high	98.4	Very high	84 Å²	84	55.2 Å²	55.2	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-87.4	-11.1	-171.9	-66.7	0.9	0	0	0	113.9	R245 Y246 I247	R245-D249 WeakPolarHBondContact CD-OD2 3.47Å; R245-D249 IonicContact NH1-OD1 2.72Å; R245-D249 PolarHBondContact NH1-OD1 3.07Å; R245-D249 VanDerWaalsContact NH1-OD1 3.12Å; R245-D249 IonicContact NH1-OD2 3.94Å; R245-D249 PolarHBondContact O-N 2.86Å; Y246-D249 PolarHBondContact O-N 2.84Å; I247-D249 VanDerWaalsContact C-N 3.33Å; I247-D249 PolarHBondContact O-N 2.78Å
250	L	98.5	Very high	98.5	Very high	35 Å²	35	53.5 Å²	53.5	18%	0.183	28%	0.281	C	S	.	.	S	Bend	trans	-53.1	131.4	176.7	-97.1	177.7	0	0	0	110.7	I213 Y246 R260	I213-L250 HydrophobicContact CB-CD1 4.41Å; I213-L250 HydrophobicContact CG2-CB 4.26Å; I213-L250 HydrophobicContact CG2-CD1 3.75Å; Y246-L250 HydrophobicContact CD1-CD1 4.18Å; Y246-L250 HydrophobicContact CD1-CG 4.14Å; Y246-L250 HydrophobicContact CE1-CD1 3.87Å; Y246-L250 HydrophobicContact CE1-CD2 4.02Å; Y246-L250 HydrophobicContact CE1-CG 3.84Å; Y246-L250 PolarHBondContact O-N 3.03Å; L250-R260 VanDerWaalsContact O-CZ 3.29Å; L250-R260 PolarHBondContact O-NH1 2.86Å; L250-R260 PolarHBondContact O-NH2 2.92Å; L250-R260 VanDerWaalsContact O-NH2 3.09Å
251	P	98.4	Very high	98.5	Very high	96 Å²	96	53.8 Å²	53.8	62%	0.623	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-57.9	145.6	-178.3	-25	34.1	0	0	0	112.7
252	F	98.8	Very high	98.5	Very high	13 Å²	13	52 Å²	52	6%	0.057	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70	146	164.7	-82.1	-90	0	0	0	110.1	L186 S214 S216 D254 G255 R258 R260	L186-F252 HydrophobicContact CD1-CD1 3.59Å; L186-F252 HydrophobicContact CD1-CE1 4.13Å; L186-F252 HydrophobicContact CD1-CG 4.47Å; L186-F252 HydrophobicContact CD2-CD1 4.5Å; S214-F252 CarbonylContact O-C 3.47Å; S214-F252 VanDerWaalsContact O-CA 3.25Å; S214-F252 WeakPolarHBondContact O-CA 3.24Å; S214-F252 WeakPolarHBondContact O-CD1 3.3Å; S216-F252 VanDerWaalsContact O-CE1 3.27Å; S216-F252 WeakPolarHBondContact O-CE1 3.32Å; S216-F252 VanDerWaalsContact O-CZ 3.29Å; S216-F252 WeakPolarHBondContact O-CZ 3.31Å; F252-D254 PolarHBondContact O-N 3.14Å; F252-D254 VanDerWaalsContact O-N 3.13Å; F252-G255 PolarHBondContact O-N 2.87Å; F252-R258 HydrophobicContact CD2-CB 3.95Å; F252-R258 HydrophobicContact CE2-CB 3.62Å; F252-R258 HydrophobicContact CZ-CB 3.99Å; F252-R260 HydrophobicContact CE2-CB 3.93Å; F252-R260 HydrophobicContact CZ-CB 3.91Å
253	A	98.7	Very high	98.5	Very high	52 Å²	52	50.6 Å²	50.6	43%	0.43	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-174.2	0	0	0	0	0	114.3	L186 S214 Y215	L186-A253 HydrophobicContact CD2-CB 4Å; S214-A253 PolarHBondContact O-N 2.76Å; Y215-A253 HydrophobicContact CD1-CB 3.89Å; Y215-A253 HydrophobicContact CE1-CB 3.36Å; Y215-A253 HydrophobicContact CE2-CB 4.14Å; Y215-A253 HydrophobicContact CG-CB 4.46Å; Y215-A253 VanDerWaalsContact CZ-CB 3.49Å
254	D	98.4	Very high	98.5	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.332	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.2	177.8	76	-17.9	0	0	0	113.7	L186 F252 K256 R258	L186-D254 HydrophobicContact CD2-CB 4.14Å; F252-D254 PolarHBondContact O-N 3.14Å; F252-D254 VanDerWaalsContact O-N 3.13Å; D254-K256 PolarHBondContact O-N 2.86Å; D254-K256 VanDerWaalsContact O-N 3.17Å; D254-K256 PolarHBondContact OD1-N 3.3Å; D254-K256 VanDerWaalsContact OD1-N 3.09Å; D254-K256 WeakPolarHBondContact OD2-CD 3.23Å; D254-K256 WeakPolarHBondContact OD2-CE 3.24Å; D254-K256 WeakPolarHBondContact OD2-CG 3.12Å; D254-K256 IonicContact OD2-NZ 3.71Å; D254-R258 IonicContact OD1-CZ 3.41Å; D254-R258 IonicContact OD1-NH1 3.61Å; D254-R258 PolarHBondContact OD1-NH1 3.23Å; D254-R258 IonicContact OD1-NH2 2.68Å; D254-R258 IonicContact OD2-CZ 3.89Å; D254-R258 IonicContact OD2-NH1 3.69Å; D254-R258 PolarHBondContact OD2-NH1 2.9Å; D254-R258 IonicContact OD2-NH2 3.47Å; D254-R258 PolarHBondContact OD2-NH2 3.48Å
255	G	98.1	Very high	98.4	Very high	63 Å²	63	52.1 Å²	52.1	65%	0.649	27%	0.272	S	S	*	.			trans	72.1	-2.3	179	0	0	0	0	0	115.5	F252	F252-G255 PolarHBondContact O-N 2.87Å
256	K	98	Very high	98.2	Very high	113 Å²	113	52.1 Å²	52.1	49%	0.491	27%	0.272	S	S	.	.			trans	-76.9	138.4	178.3	-56.6	-175.4	-150.4	158.3	0	110.4	E189 D254 R258	E189-K256 IonicContact OE1-NZ 2.77Å; E189-K256 PolarHBondContact OE1-NZ 2.74Å; D254-K256 PolarHBondContact O-N 2.86Å; D254-K256 VanDerWaalsContact O-N 3.17Å; D254-K256 PolarHBondContact OD1-N 3.3Å; D254-K256 VanDerWaalsContact OD1-N 3.09Å; D254-K256 WeakPolarHBondContact OD2-CD 3.23Å; D254-K256 WeakPolarHBondContact OD2-CE 3.24Å; D254-K256 WeakPolarHBondContact OD2-CG 3.12Å; D254-K256 IonicContact OD2-NZ 3.71Å; K256-R258 PolarHBondContact O-N 2.61Å
257	K	97.1	Very high	97.7	Very high	213 Å²	213	51.1 Å²	51.1	93%	0.926	29%	0.289	S	S	*	.			trans	-69.9	119	175.1	-71.4	-171.4	176.6	-173.5	0	110.3
258	R	97.7	Very high	97.2	Very high	37 Å²	37	58.4 Å²	58.4	14%	0.14	32%	0.321	C	S	.	.			trans	-134.9	162.1	171.6	-60.7	-176	-173.2	79.8	-5	109.7	E189 F252 D254 K256 R260 S276	E189-R258 VanDerWaalsContact CD-NH2 3.34Å; E189-R258 IonicContact OE1-CZ 2.66Å; E189-R258 IonicContact OE1-NE 2.69Å; E189-R258 IonicContact OE1-NH2 3.67Å; E189-R258 PolarHBondContact OE1-NH2 2.67Å; E189-R258 IonicContact OE2-CZ 3.67Å; E189-R258 IonicContact OE2-NE 3.31Å; E189-R258 PolarHBondContact OE2-NE 3.06Å; E189-R258 IonicContact OE2-NH2 3.59Å; E189-R258 PolarHBondContact OE2-NH2 2.71Å; F252-R258 HydrophobicContact CD2-CB 3.95Å; F252-R258 HydrophobicContact CE2-CB 3.62Å; F252-R258 HydrophobicContact CZ-CB 3.99Å; D254-R258 IonicContact OD1-CZ 3.41Å; D254-R258 IonicContact OD1-NH1 3.61Å; D254-R258 PolarHBondContact OD1-NH1 3.23Å; D254-R258 IonicContact OD1-NH2 2.68Å; D254-R258 IonicContact OD2-CZ 3.89Å; D254-R258 IonicContact OD2-NH1 3.69Å; D254-R258 PolarHBondContact OD2-NH1 2.9Å; D254-R258 IonicContact OD2-NH2 3.47Å; D254-R258 PolarHBondContact OD2-NH2 3.48Å; K256-R258 PolarHBondContact O-N 2.61Å; R258-R260 PolarHBondContact O-N 3.2Å; R258-S276 PolarHBondContact O-OG 2.9Å
259	K	98	Very high	96.9	Very high	133 Å²	133	61.6 Å²	61.6	58%	0.578	34%	0.338	S	S	*	.			trans	-79.7	114.7	169.7	-65.8	-166.1	179.2	-141.5	0	109.6	D275 S276 S277	K259-D275 IonicContact NZ-OD2 3.31Å; K259-S276 VanDerWaalsContact CA-OG 3.31Å; K259-S276 WeakPolarHBondContact CA-OG 3.38Å; K259-S277 WeakPolarHBondContact CE-OG 3.36Å; K259-S277 PolarHBondContact NZ-OG 3.48Å
260	R	98.8	Very high	96.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.			trans	-96.2	122.8	164	-177.8	179.8	-62.3	134.5	9.8	108.1	I213 S216 N217 V219 I247 L250 F252 R258 V262 D275 S276	I213-R260 PolarHBondContact O-NE 3.46Å; I213-R260 VanDerWaalsContact O-NE 3.1Å; I213-R260 PolarHBondContact O-NH2 3.32Å; S216-R260 WeakPolarHBondContact O-CG 3.36Å; S216-R260 PolarHBondContact O-NE 3.4Å; N217-R260 CarbonylContact O-C 3.6Å; N217-R260 WeakPolarHBondContact O-CA 3.2Å; V219-R260 HydrophobicContact CG2-CG 4.43Å; I247-R260 VanDerWaalsContact O-CD 3.29Å; I247-R260 WeakPolarHBondContact O-CD 3.32Å; I247-R260 PolarHBondContact O-NH1 2.91Å; L250-R260 VanDerWaalsContact O-CZ 3.29Å; L250-R260 PolarHBondContact O-NH1 2.86Å; L250-R260 PolarHBondContact O-NH2 2.92Å; L250-R260 VanDerWaalsContact O-NH2 3.09Å; F252-R260 HydrophobicContact CE2-CB 3.93Å; F252-R260 HydrophobicContact CZ-CB 3.91Å; R258-R260 PolarHBondContact O-N 3.2Å; R260-V262 HydrophobicContact CG-CG2 4.4Å; R260-D275 WeakPolarHBondContact O-CA 3.16Å; R260-D275 VanDerWaalsContact O-CB 3.3Å; R260-D275 WeakPolarHBondContact O-CB 3.43Å; R260-S276 PolarHBondContact N-OG 2.96Å; R260-S276 PolarHBondContact O-N 2.98Å; R260-S276 VanDerWaalsContact O-N 3.16Å
261	L	98.9	Very high	96.7	Very high	16 Å²	16	58 Å²	58	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.2	173.1	175.5	64.6	0	0	0	109.7	N217 I218 V219 I263 T274 F308 M318	N217-L261 PolarHBondContact O-N 3.46Å; I218-L261 CarbonylContact C-O 3.54Å; I218-L261 VanDerWaalsContact CA-O 3.29Å; I218-L261 WeakPolarHBondContact CA-O 3.35Å; I218-L261 HydrophobicContact CD1-CD2 4.29Å; I218-L261 HydrophobicContact CG1-CB 4.28Å; I218-L261 HydrophobicContact CG1-CD2 4.42Å; I218-L261 HydrophobicContact CG2-CB 4.44Å; I218-L261 HydrophobicContact CG2-CD2 4.2Å; I218-L261 HydrophobicContact CG2-CG 4.37Å; V219-L261 PolarHBondContact N-O 3Å; L261-I263 HydrophobicContact CD1-CG1 4.31Å; L261-I263 HydrophobicContact CD2-CD1 3.97Å; L261-I263 HydrophobicContact CD2-CG1 4.3Å; L261-I263 HydrophobicContact CG-CD1 4.3Å; L261-I263 HydrophobicContact CG-CG1 4.08Å; L261-T274 WeakPolarHBondContact CD1-O 3.49Å; L261-F308 HydrophobicContact CD2-CE1 3.92Å; L261-F308 HydrophobicContact CD2-CE2 4.45Å; L261-F308 HydrophobicContact CD2-CZ 3.5Å; L261-M318 HydrophobicContact CD1-CE 3.49Å; L261-M318 VanDerWaalsContact CD1-CE 3.49Å; L261-M318 HydrophobicContact CD1-SD 3.99Å; L261-M318 HydrophobicContact CD2-CE 3.92Å; L261-M318 HydrophobicContact CD2-SD 3.73Å; L261-M318 HydrophobicContact CG-CE 4.24Å
262	V	98.9	Very high	96.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.1	174.2	-176	0	0	0	0	108.9	V219 A244 I247 A248 R260 I264 Y273 T274	V219-V262 HydrophobicContact CB-CG2 4.45Å; V219-V262 WeakPolarHBondContact O-CA 3.43Å; A244-V262 HydrophobicContact CB-CG1 4.47Å; I247-V262 HydrophobicContact CB-CG1 4.41Å; I247-V262 HydrophobicContact CB-CG2 4.09Å; I247-V262 HydrophobicContact CG2-CG1 4.2Å; I247-V262 HydrophobicContact CG2-CG2 3.6Å; A248-V262 HydrophobicContact CB-CG2 3.75Å; R260-V262 HydrophobicContact CG-CG2 4.4Å; V262-I264 HydrophobicContact CG1-CD1 3.97Å; V262-I264 HydrophobicContact CG1-CG1 4.2Å; V262-Y273 VanDerWaalsContact O-CA 3.24Å; V262-Y273 WeakPolarHBondContact O-CA 3.01Å; V262-T274 PolarHBondContact N-O 3.42Å; V262-T274 PolarHBondContact O-N 3.47Å; V262-T274 VanDerWaalsContact O-N 3.15Å
263	I	98.9	Very high	96.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.6	178.6	-54.8	170.9	0	0	0	109.1	V219 F220 G221 L261 L271 L272 F304 F308 M318 L322	V219-I263 PolarHBondContact O-N 3.25Å; F220-I263 WeakPolarHBondContact CA-O 3.46Å; F220-I263 HydrophobicContact CD1-CB 4.27Å; F220-I263 HydrophobicContact CD1-CD1 4.3Å; F220-I263 HydrophobicContact CE1-CD1 3.78Å; F220-I263 HydrophobicContact CZ-CD1 4.49Å; G221-I263 PolarHBondContact N-O 3.04Å; L261-I263 HydrophobicContact CD1-CG1 4.31Å; L261-I263 HydrophobicContact CD2-CD1 3.97Å; L261-I263 HydrophobicContact CD2-CG1 4.3Å; L261-I263 HydrophobicContact CG-CD1 4.3Å; L261-I263 HydrophobicContact CG-CG1 4.08Å; I263-L271 HydrophobicContact CG2-CD1 4.12Å; I263-L272 WeakPolarHBondContact CA-O 3.13Å; I263-F304 HydrophobicContact CG2-CE1 3.81Å; I263-F304 HydrophobicContact CG2-CZ 4Å; I263-F308 HydrophobicContact CD1-CD1 4.33Å; I263-F308 HydrophobicContact CD1-CD2 3.79Å; I263-F308 HydrophobicContact CD1-CE1 4.18Å; I263-F308 HydrophobicContact CD1-CE2 3.6Å; I263-F308 HydrophobicContact CD1-CG 4.16Å; I263-F308 HydrophobicContact CD1-CZ 3.81Å; I263-M318 HydrophobicContact CD1-CE 3.99Å; I263-M318 HydrophobicContact CG1-CE 4.06Å; I263-L322 HydrophobicContact CD1-CD2 4.18Å; I263-L322 HydrophobicContact CG2-CD2 4.3Å
264	I	98.6	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.3	178.8	-52.7	-58.1	0	0	0	109.8	G221 A226 V240 A244 V262 L271 L272	G221-I264 WeakPolarHBondContact O-CA 2.95Å; A226-I264 HydrophobicContact CB-CD1 4.36Å; A226-I264 HydrophobicContact CB-CG2 3.94Å; V240-I264 HydrophobicContact CG1-CG2 3.99Å; A244-I264 HydrophobicContact CB-CG1 4.1Å; V262-I264 HydrophobicContact CG1-CD1 3.97Å; V262-I264 HydrophobicContact CG1-CG1 4.2Å; I264-L271 CarbonylContact O-C 3.5Å; I264-L271 WeakPolarHBondContact O-CA 3.45Å; I264-L271 WeakPolarHBondContact O-CB 3.21Å; I264-L272 HydrophobicContact CB-CB 4.34Å; I264-L272 PolarHBondContact N-O 2.75Å; I264-L272 PolarHBondContact O-N 2.92Å
265	T	97.2	Very high	96.8	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.202	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	143.9	176.3	59.2	0	0	0	0	111.6	G221 N222 E223 F304	G221-T265 PolarHBondContact O-N 3.2Å; G221-T265 PolarHBondContact O-OG1 3.22Å; G221-T265 VanDerWaalsContact O-OG1 3.14Å; N222-T265 CarbonylContact C-O 3.58Å; N222-T265 WeakPolarHBondContact CA-O 3.36Å; N222-T265 WeakPolarHBondContact CB-OG1 3.49Å; E223-T265 PolarHBondContact N-O 3.35Å; T265-F304 HydrophobicContact CG2-CD1 4.01Å; T265-F304 HydrophobicContact CG2-CD2 4.24Å; T265-F304 HydrophobicContact CG2-CE1 3.97Å; T265-F304 HydrophobicContact CG2-CE2 4.18Å; T265-F304 HydrophobicContact CG2-CG 4.16Å; T265-F304 HydrophobicContact CG2-CZ 4.06Å
266	R	94.5	Very high	96.7	Very high	53 Å²	53	49.7 Å²	49.7	20%	0.2	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	41.6	-172.7	-61.3	-175.4	62.7	-162.2	5.7	112.7	E223 K268 N269 P270	E223-R266 HydrophobicContact CB-CG 4.2Å; E223-R266 HydrophobicContact CG-CG 4.48Å; E223-R266 IonicContact OE1-CZ 3.86Å; E223-R266 VanDerWaalsContact OE1-CZ 3.31Å; E223-R266 IonicContact OE1-NE 2.74Å; E223-R266 PolarHBondContact OE1-NE 3.48Å; E223-R266 IonicContact OE1-NH2 2.69Å; E223-R266 PolarHBondContact OE1-NH2 3.01Å; E223-R266 WeakPolarHBondContact OE2-CB 3.47Å; E223-R266 IonicContact OE2-NE 2.95Å; R266-K268 PolarHBondContact O-N 2.85Å; R266-K268 VanDerWaalsContact O-N 3.14Å; R266-N269 HydrophobicContact CB-CB 3.93Å; R266-N269 WeakPolarHBondContact O-CB 3.47Å; R266-N269 PolarHBondContact O-N 2.84Å; R266-P270 WeakPolarHBondContact CD-O 3.4Å
267	G	88.2	Confident	96.7	Very high	69 Å²	69	47.7 Å²	47.7	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-117.3	-174.6	0	0	0	0	0	111.5
268	K	87.6	Confident	96.8	Very high	153 Å²	153	39.8 Å²	39.8	67%	0.665	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15	176.8	66.8	179.9	178.1	-177.5	0	114.1	R266 Q288	R266-K268 PolarHBondContact O-N 2.85Å; R266-K268 VanDerWaalsContact O-N 3.14Å; K268-Q288 PolarHBondContact O-NE2 3.44Å
269	N	92.5	Very high	96.7	Very high	68 Å²	68	43.2 Å²	43.2	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	160.6	178.9	-59.1	-37.3	0	0	0	110	R266 L271	R266-N269 HydrophobicContact CB-CB 3.93Å; R266-N269 WeakPolarHBondContact O-CB 3.47Å; R266-N269 PolarHBondContact O-N 2.84Å; N269-L271 PolarHBondContact O-N 3.46Å
270	P	95.9	Very high	96.7	Very high	40 Å²	40	42.9 Å²	42.9	26%	0.26	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	131.2	172.8	-25.9	35.1	0	0	0	111.4	R266 Q283 F284	R266-P270 WeakPolarHBondContact CD-O 3.4Å; P270-Q283 HydrophobicContact CB-CB 4.05Å; P270-F284 CarbonylContact C-O 3.43Å; P270-F284 VanDerWaalsContact CA-O 3.24Å; P270-F284 WeakPolarHBondContact CA-O 3.23Å
271	L	98.2	Very high	96.7	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	156.4	173.3	67	83.5	0	0	0	110	I263 I264 N269 Y273 Q283 F284 V286 F304 L322	I263-L271 HydrophobicContact CG2-CD1 4.12Å; I264-L271 CarbonylContact O-C 3.5Å; I264-L271 WeakPolarHBondContact O-CA 3.45Å; I264-L271 WeakPolarHBondContact O-CB 3.21Å; N269-L271 PolarHBondContact O-N 3.46Å; L271-Y273 HydrophobicContact CD1-CD1 4.15Å; L271-Q283 WeakPolarHBondContact O-CA 3.3Å; L271-F284 HydrophobicContact CD1-CB 3.68Å; L271-F284 HydrophobicContact CD1-CG 4.45Å; L271-F284 HydrophobicContact CD2-CD1 3.98Å; L271-F284 HydrophobicContact CG-CB 3.86Å; L271-F284 HydrophobicContact CG-CD1 4.15Å; L271-F284 HydrophobicContact CG-CG 4.46Å; L271-F284 PolarHBondContact N-O 3.44Å; L271-F284 PolarHBondContact O-N 3.09Å; L271-V286 HydrophobicContact CB-CG2 4.44Å; L271-V286 HydrophobicContact CD2-CG2 4.1Å; L271-V286 HydrophobicContact CG-CG2 4.38Å; L271-F304 HydrophobicContact CD2-CE2 3.61Å; L271-F304 HydrophobicContact CD2-CZ 3.59Å; L271-L322 HydrophobicContact CD1-CD1 4.32Å; L271-L322 HydrophobicContact CD1-CD2 4.03Å; L271-L322 HydrophobicContact CD2-CD2 4.3Å
272	L	98.6	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.3	174.8	-54.7	-177.9	0	0	0	110.2	V240 I263 I264 I281 H282 Q283	V240-L272 HydrophobicContact CG1-CD1 3.89Å; I263-L272 WeakPolarHBondContact CA-O 3.13Å; I264-L272 HydrophobicContact CB-CB 4.34Å; I264-L272 PolarHBondContact N-O 2.75Å; I264-L272 PolarHBondContact O-N 2.92Å; L272-I281 HydrophobicContact CB-CG2 3.93Å; L272-I281 HydrophobicContact CD1-CG2 4.31Å; L272-I281 HydrophobicContact CD2-CG2 4.27Å; L272-I281 HydrophobicContact CG-CG2 4.4Å; L272-H282 WeakPolarHBondContact CA-O 3.19Å; L272-Q283 HydrophobicContact CD2-CG 3.81Å
273	Y	98.8	Very high	96.7	Very high	36 Å²	36	52.3 Å²	52.3	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.6	166.2	72.8	-88.5	0	0	0	111.9	V262 L271 H282 F284 M318 I319 L322	V262-Y273 VanDerWaalsContact O-CA 3.24Å; V262-Y273 WeakPolarHBondContact O-CA 3.01Å; L271-Y273 HydrophobicContact CD1-CD1 4.15Å; Y273-H282 HydrophobicContact CD1-CB 3.87Å; Y273-H282 HydrophobicContact CD2-CB 4.15Å; Y273-H282 HydrophobicContact CE1-CB 3.35Å; Y273-H282 HydrophobicContact CE2-CB 3.64Å; Y273-H282 AromaticContact CE2-CD2 3.67Å; Y273-H282 AromaticContact CE2-CG 3.76Å; Y273-H282 HydrophobicContact CG-CB 4.25Å; Y273-H282 AromaticContact CZ-CG 3.63Å; Y273-H282 PolarHBondContact N-O 2.96Å; Y273-H282 PolarHBondContact O-N 2.83Å; Y273-H282 WeakPolarHBondContact OH-CB 3.4Å; Y273-F284 HydrophobicContact CD1-CB 4.25Å; Y273-F284 HydrophobicContact CE1-CB 4.11Å; Y273-M318 HydrophobicContact CD1-CE 4.4Å; Y273-M318 HydrophobicContact CD2-CE 3.53Å; Y273-M318 HydrophobicContact CD2-CG 4.31Å; Y273-M318 HydrophobicContact CE2-CE 4.3Å; Y273-M318 HydrophobicContact CE2-CG 4.19Å; Y273-M318 HydrophobicContact CG-CE 3.6Å; Y273-I319 HydrophobicContact CE1-CD1 4.32Å; Y273-I319 WeakPolarHBondContact OH-CD1 3.46Å; Y273-L322 HydrophobicContact CD1-CD1 3.73Å; Y273-L322 HydrophobicContact CE1-CD1 3.86Å; Y273-L322 HydrophobicContact CG-CD1 4.31Å
274	T	98.8	Very high	96.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167.9	174.7	-167.3	0	0	0	0	109.7	A244 R245 A248 L261 V262 E280 I281	A244-T274 HydrophobicContact CB-CG2 4.43Å; R245-T274 PolarHBondContact NH2-OG1 3.08Å; A248-T274 HydrophobicContact CB-CG2 3.91Å; L261-T274 WeakPolarHBondContact CD1-O 3.49Å; V262-T274 PolarHBondContact N-O 3.42Å; V262-T274 PolarHBondContact O-N 3.47Å; V262-T274 VanDerWaalsContact O-N 3.15Å; T274-E280 PolarHBondContact OG1-O 2.6Å; T274-I281 HydrophobicContact CG2-CG1 4.22Å
275	D	98.7	Very high	96.4	Very high	32 Å²	32	60.8 Å²	60.8	17%	0.171	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	165.1	169.7	76.3	56.9	0	0	0	112.1	K259 R260 S277 D278	K259-D275 IonicContact NZ-OD2 3.31Å; R260-D275 WeakPolarHBondContact O-CA 3.16Å; R260-D275 VanDerWaalsContact O-CB 3.3Å; R260-D275 WeakPolarHBondContact O-CB 3.43Å; D275-S277 PolarHBondContact O-N 2.8Å; D275-S277 WeakPolarHBondContact OD1-CA 3.48Å; D275-S277 WeakPolarHBondContact OD1-CB 3.34Å; D275-S277 PolarHBondContact OD1-N 3.38Å; D275-S277 PolarHBondContact OD1-OG 2.84Å; D275-D278 PolarHBondContact O-N 3.17Å; D275-D278 PolarHBondContact OD1-N 3.15Å
276	S	97.8	Very high	96	Very high	43 Å²	43	60.4 Å²	60.4	30%	0.301	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-10.2	-177.5	63.3	0	0	0	0	115.6	A248 R258 K259 R260	A248-S276 WeakPolarHBondContact O-CB 3.31Å; R258-S276 PolarHBondContact O-OG 2.9Å; K259-S276 VanDerWaalsContact CA-OG 3.31Å; K259-S276 WeakPolarHBondContact CA-OG 3.38Å; R260-S276 PolarHBondContact N-OG 2.96Å; R260-S276 PolarHBondContact O-N 2.98Å; R260-S276 VanDerWaalsContact O-N 3.16Å
277	S	97.7	Very high	95.3	Very high	72 Å²	72	62 Å²	62	50%	0.503	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-8.3	175.9	69.7	0	0	0	0	113.9	K259 D275	K259-S277 WeakPolarHBondContact CE-OG 3.36Å; K259-S277 PolarHBondContact NZ-OG 3.48Å; D275-S277 PolarHBondContact O-N 2.8Å; D275-S277 WeakPolarHBondContact OD1-CA 3.48Å; D275-S277 WeakPolarHBondContact OD1-CB 3.34Å; D275-S277 PolarHBondContact OD1-N 3.38Å; D275-S277 PolarHBondContact OD1-OG 2.84Å
278	D	97.6	Very high	94.8	Very high	46 Å²	46	64.1 Å²	64.1	25%	0.246	33%	0.333	C	S	.	.			trans	-97.9	127.2	179.8	-162	-28.4	0	0	0	109.5	R245 D275 E280 H282	R245-D278 PolarHBondContact NH1-O 3.08Å; R245-D278 PolarHBondContact NH2-O 3.39Å; D275-D278 PolarHBondContact O-N 3.17Å; D275-D278 PolarHBondContact OD1-N 3.15Å; D278-E280 VanDerWaalsContact C-N 3.32Å; D278-E280 PolarHBondContact OD1-N 3.14Å; D278-H282 IonicContact OD1-NE2 3.24Å; D278-H282 IonicContact OD2-CD2 3.84Å; D278-H282 PolarHBondContact OD2-CD2 2.9Å; D278-H282 IonicContact OD2-CE1 3.98Å; D278-H282 IonicContact OD2-NE2 3.03Å; D278-H282 PolarHBondContact OD2-NE2 2.87Å
279	S	97	Very high	94.1	Very high	110 Å²	110	59.1 Å²	59.1	77%	0.769	31%	0.312	S	S	*	.	S	Bend	trans	-77.9	-18.7	175.7	52	0	0	0	0	113	R245	R245-S279 PolarHBondContact NH2-O 3.42Å
280	E	98.1	Very high	93.2	Very high	125 Å²	125	62.7 Å²	62.7	58%	0.584	32%	0.324	S	S	*	.	S	Bend	trans	-99.5	154	-177.7	-62.9	-176.8	-179.4	0	0	111.6	R245 T274 D278 H282	R245-E280 PolarHBondContact NH2-O 3.43Å; T274-E280 PolarHBondContact OG1-O 2.6Å; D278-E280 VanDerWaalsContact C-N 3.32Å; D278-E280 PolarHBondContact OD1-N 3.14Å; E280-H282 IonicContact OE2-CE1 2.78Å
281	I	98.6	Very high	92.1	Very high	43 Å²	43	67 Å²	67	22%	0.221	34%	0.344	C	S	.	.			trans	-108.6	119.3	168.4	-60.7	172.1	0	0	0	106.7	H241 A244 R245 L272 T274	H241-I281 HydrophobicContact CB-CD1 3.8Å; H241-I281 WeakPolarHBondContact O-CD1 3.49Å; A244-I281 HydrophobicContact CB-CD1 4.36Å; R245-I281 HydrophobicContact CB-CD1 4.26Å; L272-I281 HydrophobicContact CB-CG2 3.93Å; L272-I281 HydrophobicContact CD1-CG2 4.31Å; L272-I281 HydrophobicContact CD2-CG2 4.27Å; L272-I281 HydrophobicContact CG-CG2 4.4Å; T274-I281 HydrophobicContact CG2-CG1 4.22Å
282	H	98.7	Very high	90.9	Very high	50 Å²	50	72.8 Å²	72.8	23%	0.231	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.1	-175.2	-61.4	-83.3	0	0	0	110.7	L272 Y273 D278 E280	L272-H282 WeakPolarHBondContact CA-O 3.19Å; Y273-H282 HydrophobicContact CD1-CB 3.87Å; Y273-H282 HydrophobicContact CD2-CB 4.15Å; Y273-H282 HydrophobicContact CE1-CB 3.35Å; Y273-H282 HydrophobicContact CE2-CB 3.64Å; Y273-H282 AromaticContact CE2-CD2 3.67Å; Y273-H282 AromaticContact CE2-CG 3.76Å; Y273-H282 HydrophobicContact CG-CB 4.25Å; Y273-H282 AromaticContact CZ-CG 3.63Å; Y273-H282 PolarHBondContact N-O 2.96Å; Y273-H282 PolarHBondContact O-N 2.83Å; Y273-H282 WeakPolarHBondContact OH-CB 3.4Å; D278-H282 IonicContact OD1-NE2 3.24Å; D278-H282 IonicContact OD2-CD2 3.84Å; D278-H282 PolarHBondContact OD2-CD2 2.9Å; D278-H282 IonicContact OD2-CE1 3.98Å; D278-H282 IonicContact OD2-NE2 3.03Å; D278-H282 PolarHBondContact OD2-NE2 2.87Å; E280-H282 IonicContact OE2-CE1 2.78Å
283	Q	98.3	Very high	89.8	Confident	123 Å²	123	77.1 Å²	77.1	58%	0.575	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.8	169.9	-62.6	-171.3	15.2	0	0	110.2	P270 L271 L272	P270-Q283 HydrophobicContact CB-CB 4.05Å; L271-Q283 WeakPolarHBondContact O-CA 3.3Å; L272-Q283 HydrophobicContact CD2-CG 3.81Å
284	F	97.5	Very high	88.7	Confident	18 Å²	18	77.4 Å²	77.4	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.8	173	-179.2	-86	0	0	0	110.1	P270 L271 Y273 V286 I319 L322 H323 V326	P270-F284 CarbonylContact C-O 3.43Å; P270-F284 VanDerWaalsContact CA-O 3.24Å; P270-F284 WeakPolarHBondContact CA-O 3.23Å; L271-F284 HydrophobicContact CD1-CB 3.68Å; L271-F284 HydrophobicContact CD1-CG 4.45Å; L271-F284 HydrophobicContact CD2-CD1 3.98Å; L271-F284 HydrophobicContact CG-CB 3.86Å; L271-F284 HydrophobicContact CG-CD1 4.15Å; L271-F284 HydrophobicContact CG-CG 4.46Å; L271-F284 PolarHBondContact N-O 3.44Å; L271-F284 PolarHBondContact O-N 3.09Å; Y273-F284 HydrophobicContact CD1-CB 4.25Å; Y273-F284 HydrophobicContact CE1-CB 4.11Å; F284-V286 PolarHBondContact O-N 3.47Å; F284-I319 HydrophobicContact CD2-CD1 4.41Å; F284-I319 HydrophobicContact CE2-CG2 4Å; F284-L322 HydrophobicContact CB-CD1 4Å; F284-L322 HydrophobicContact CD1-CB 4.29Å; F284-L322 HydrophobicContact CD1-CD1 4.42Å; F284-L322 HydrophobicContact CD2-CB 4.2Å; F284-L322 HydrophobicContact CD2-CD1 3.71Å; F284-L322 HydrophobicContact CE1-CB 4.06Å; F284-L322 HydrophobicContact CE2-CB 3.96Å; F284-L322 HydrophobicContact CE2-CD1 4.26Å; F284-L322 HydrophobicContact CG-CB 4.35Å; F284-L322 HydrophobicContact CG-CD1 3.79Å; F284-L322 HydrophobicContact CZ-CB 3.88Å; F284-H323 AromaticContact CE2-CD2 3.92Å; F284-H323 AromaticContact CE2-NE2 3.72Å; F284-H323 AromaticContact CZ-CD2 3.69Å; F284-H323 AromaticContact CZ-CE1 3.61Å; F284-H323 AromaticContact CZ-CG 3.79Å; F284-H323 AromaticContact CZ-ND1 3.75Å; F284-H323 AromaticContact CZ-NE2 3.59Å; F284-V326 HydrophobicContact CE1-CG2 4.07Å
285	M	94.6	Very high	87.3	Confident	159 Å²	159	81.4 Å²	81.4	78%	0.783	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-70.3	125.6	-177.2	-168	161.6	62.8	0	0	110.5
286	V	87.9	Confident	85.9	Confident	25 Å²	25	79.9 Å²	79.9	15%	0.152	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-90.6	136.6	178.8	-171.9	0	0	0	0	109.2	L271 F284 Q288 V326	L271-V286 HydrophobicContact CB-CG2 4.44Å; L271-V286 HydrophobicContact CD2-CG2 4.1Å; L271-V286 HydrophobicContact CG-CG2 4.38Å; F284-V286 PolarHBondContact O-N 3.47Å; V286-Q288 PolarHBondContact O-N 3.24Å; V286-Q288 PolarHBondContact O-NE2 2.85Å; V286-V326 HydrophobicContact CG1-CG1 3.9Å; V286-V326 HydrophobicContact CG1-CG2 4.02Å
287	E	79.7	Confident	84.8	Confident	87 Å²	87	81.2 Å²	81.2	41%	0.407	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-60	129.5	175.2	-169.2	168.3	-167	0	0	110	F289 V326 I350	E287-F289 WeakPolarHBondContact O-CE2 3.38Å; E287-V326 HydrophobicContact CB-CG1 4.32Å; E287-I350 VanDerWaalsContact OE1-CG2 3.26Å; E287-I350 WeakPolarHBondContact OE1-CG2 3.29Å; E287-I350 WeakPolarHBondContact OE2-CG2 3.43Å
288	Q	77.9	Confident	83.8	Confident	114 Å²	114	78.9 Å²	78.9	53%	0.533	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-82.4	125	-178.4	-60	-63.8	-58.1	0	0	109.4	K268 V286	K268-Q288 PolarHBondContact O-NE2 3.44Å; V286-Q288 PolarHBondContact O-N 3.24Å; V286-Q288 PolarHBondContact O-NE2 2.85Å
289	F	73.5	Confident	83.2	Confident	47 Å²	47	77.1 Å²	77.1	21%	0.206	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-85.1	144.1	167.8	-59.7	-73.7	0	0	0	109.4	E287 I294 A330	E287-F289 WeakPolarHBondContact O-CE2 3.38Å; F289-I294 HydrophobicContact CB-CD1 4.18Å; F289-I294 HydrophobicContact CB-CG1 3.84Å; F289-A330 HydrophobicContact CE1-CB 3.51Å; F289-A330 HydrophobicContact CE2-CB 4.04Å; F289-A330 HydrophobicContact CZ-CB 3.14Å
290	K	74.2	Confident	82.9	Confident	144 Å²	144	72.6 Å²	72.6	63%	0.626	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-70.1	141.7	166.1	-64.4	-176.3	178.8	-179.7	0	108.6	D292 Q293 I294	K290-D292 WeakPolarHBondContact CB-OD1 3.45Å; K290-D292 PolarHBondContact O-N 3.14Å; K290-Q293 HydrophobicContact CB-CG 4.26Å; K290-Q293 WeakPolarHBondContact O-CA 3.25Å; K290-Q293 WeakPolarHBondContact O-CB 3.37Å; K290-Q293 PolarHBondContact O-N 3.34Å; K290-I294 PolarHBondContact O-N 2.78Å
291	D	72.6	Confident	82.6	Confident	129 Å²	129	68.4 Å²	68.4	69%	0.69	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.8	-177	-67.9	-24.1	0	0	0	113	K130 Q293 I294	K130-D291 PolarHBondContact NZ-O 2.68Å; D291-Q293 VanDerWaalsContact C-N 3.34Å; D291-I294 PolarHBondContact O-N 3.19Å
292	D	72.7	Confident	82.6	Confident	125 Å²	125	67.5 Å²	67.5	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-20	175.8	66.8	-26.7	0	0	0	113.9	K290	K290-D292 WeakPolarHBondContact CB-OD1 3.45Å; K290-D292 PolarHBondContact O-N 3.14Å
293	Q	74.9	Confident	82.5	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.421	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-23.8	173.5	-61.7	176.3	-40.3	0	0	112.5	K290 D291 I295	K290-Q293 HydrophobicContact CB-CG 4.26Å; K290-Q293 WeakPolarHBondContact O-CA 3.25Å; K290-Q293 WeakPolarHBondContact O-CB 3.37Å; K290-Q293 PolarHBondContact O-N 3.34Å; D291-Q293 VanDerWaalsContact C-N 3.34Å; Q293-I295 PolarHBondContact O-N 2.95Å
294	I	75.3	Confident	82.5	Confident	42 Å²	42	59.9 Å²	59.9	22%	0.215	31%	0.313	C	S	.	.			trans	-74.2	107.2	176.3	-57.9	178.4	0	0	0	108.2	K130 F289 K290 D291 T297 I333	K130-I294 PolarHBondContact NZ-O 3.03Å; F289-I294 HydrophobicContact CB-CD1 4.18Å; F289-I294 HydrophobicContact CB-CG1 3.84Å; K290-I294 PolarHBondContact O-N 2.78Å; D291-I294 PolarHBondContact O-N 3.19Å; I294-T297 HydrophobicContact CG2-CG2 3.99Å; I294-I333 HydrophobicContact CB-CG2 4.06Å; I294-I333 HydrophobicContact CG1-CG2 3.88Å; I294-I333 HydrophobicContact CG2-CG2 3.87Å
295	I	70.4	Confident	82.6	Confident	86 Å²	86	59 Å²	59	44%	0.441	31%	0.309	S	S	.	.	S	Bend	trans	-91.7	-37.6	172.6	-56.9	-169.5	0	0	0	109.7	Q293 I333 C334	Q293-I295 PolarHBondContact O-N 2.95Å; I295-I333 PolarHBondContact N-O 3.38Å; I295-C334 VanDerWaalsContact CD1-O 3.25Å; I295-C334 WeakPolarHBondContact CD1-O 3.46Å
296	D	69.4	Low	82.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.			trans	-155.5	139.2	-167.3	-172.4	-7.2	0	0	0	111	R132 N298 I333 R335 G337	R132-D296 IonicContact CZ-OD1 2.71Å; R132-D296 IonicContact CZ-OD2 3.19Å; R132-D296 IonicContact NE-OD1 3.84Å; R132-D296 PolarHBondContact NE-OD1 3.32Å; R132-D296 IonicContact NH1-OD1 3.58Å; R132-D296 PolarHBondContact NH1-OD1 2.74Å; R132-D296 IonicContact NH1-OD2 3.38Å; R132-D296 PolarHBondContact NH1-OD2 2.95Å; R132-D296 VanDerWaalsContact NH2-CB 3.25Å; R132-D296 IonicContact NH2-OD1 3.72Å; R132-D296 PolarHBondContact NH2-OD1 3.48Å; R132-D296 IonicContact NH2-OD2 2.74Å; R132-D296 PolarHBondContact NH2-OD2 2.88Å; D296-N298 WeakPolarHBondContact OD1-CA 3.25Å; D296-N298 WeakPolarHBondContact OD1-CB 3.36Å; D296-N298 PolarHBondContact OD1-N 2.98Å; D296-I333 PolarHBondContact N-O 3.12Å; D296-I333 VanDerWaalsContact N-O 3.09Å; D296-I333 CarbonylContact O-C 3.41Å; D296-I333 WeakPolarHBondContact O-CA 3.19Å; D296-I333 WeakPolarHBondContact O-CB 3.47Å; D296-I333 WeakPolarHBondContact O-CG1 3.34Å; D296-I333 WeakPolarHBondContact O-CG2 3.28Å; D296-R335 WeakPolarHBondContact CB-O 3.39Å; D296-G337 WeakPolarHBondContact OD2-CA 3.24Å; D296-G337 PolarHBondContact OD2-N 3.17Å
297	T	74.4	Confident	83.3	Confident	71 Å²	71	50.3 Å²	50.3	44%	0.436	27%	0.265	S	S	.	.			trans	-109	-8.1	169.1	54.3	0	0	0	0	113.5	I294 G299 A300	I294-T297 HydrophobicContact CG2-CG2 3.99Å; T297-G299 PolarHBondContact O-N 3.01Å; T297-A300 WeakPolarHBondContact O-CB 3.39Å; T297-A300 PolarHBondContact O-N 3.29Å
298	N	75.4	Confident	84.2	Confident	23 Å²	23	46.2 Å²	46.2	12%	0.123	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	131.4	178.7	-168.6	25.7	0	0	0	111.2	M134 D296 A300	M134-N298 VanDerWaalsContact CE-OD1 3.23Å; M134-N298 WeakPolarHBondContact CE-OD1 3.47Å; M134-N298 PolarHBondContact SD-OD1 3.18Å; D296-N298 WeakPolarHBondContact OD1-CA 3.25Å; D296-N298 WeakPolarHBondContact OD1-CB 3.36Å; D296-N298 PolarHBondContact OD1-N 2.98Å; N298-A300 PolarHBondContact O-N 2.86Å
299	G	86	Confident	85.2	Confident	9 Å²	9	40.8 Å²	40.8	9%	0.093	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	7.4	-177.3	0	0	0	0	0	114.4	T297 G301 D302 A303 F338	T297-G299 PolarHBondContact O-N 3.01Å; G299-G301 PolarHBondContact O-N 2.86Å; G299-D302 WeakPolarHBondContact O-CB 3.45Å; G299-D302 PolarHBondContact O-N 2.81Å; G299-A303 WeakPolarHBondContact O-CB 3.18Å; G299-A303 PolarHBondContact O-N 3.2Å; G299-F338 WeakPolarHBondContact O-CE2 3.41Å
300	A	90.1	Very high	86.4	Confident	14 Å²	14	38.6 Å²	38.6	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-34.3	172.2	0	0	0	0	0	111.7	T297 N298 A303 F304 A329 I333	T297-A300 WeakPolarHBondContact O-CB 3.39Å; T297-A300 PolarHBondContact O-N 3.29Å; N298-A300 PolarHBondContact O-N 2.86Å; A300-A303 PolarHBondContact O-N 3.21Å; A300-F304 WeakPolarHBondContact O-CB 3.42Å; A300-F304 PolarHBondContact O-N 3.04Å; A300-A329 HydrophobicContact CB-CB 4.49Å; A300-I333 HydrophobicContact CB-CD1 3.87Å; A300-I333 HydrophobicContact CB-CG1 3.7Å
301	G	93.1	Very high	87.5	Confident	38 Å²	38	32.9 Å²	32.9	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-43.4	172.2	0	0	0	0	0	112.8	G299 A303 F304 A305	G299-G301 PolarHBondContact O-N 2.86Å; G301-A303 VanDerWaalsContact C-N 3.3Å; G301-A303 PolarHBondContact O-N 2.92Å; G301-F304 WeakPolarHBondContact O-CB 3.21Å; G301-F304 PolarHBondContact O-N 3Å; G301-A305 PolarHBondContact O-N 2.8Å
302	D	97.4	Very high	88.7	Confident	23 Å²	23	31 Å²	31	12%	0.123	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-43.4	174.4	-57.3	-24.5	0	0	0	110.8	N68 T69 G299 A305 A306 F338	N68-D302 HydrophobicContact CB-CB 3.74Å; N68-D302 WeakPolarHBondContact CB-OD2 3.27Å; N68-D302 PolarHBondContact ND2-OD2 2.83Å; T69-D302 WeakPolarHBondContact OG1-CA 3.28Å; T69-D302 WeakPolarHBondContact OG1-CB 3.49Å; T69-D302 PolarHBondContact OG1-O 2.72Å; G299-D302 WeakPolarHBondContact O-CB 3.45Å; G299-D302 PolarHBondContact O-N 2.81Å; D302-A305 PolarHBondContact O-N 3.38Å; D302-A306 WeakPolarHBondContact O-CB 3.32Å; D302-A306 PolarHBondContact O-N 3.06Å; D302-F338 HydrophobicContact CB-CD2 4.47Å; D302-F338 HydrophobicContact CB-CE2 3.88Å
303	A	97.6	Very high	90	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-40.3	177.3	0	0	0	0	0	112.1	M72 G299 A300 G301 A306 G307 A328 I332 F338	M72-A303 HydrophobicContact CE-CB 4.33Å; M72-A303 HydrophobicContact SD-CB 3.6Å; G299-A303 WeakPolarHBondContact O-CB 3.18Å; G299-A303 PolarHBondContact O-N 3.2Å; A300-A303 PolarHBondContact O-N 3.21Å; G301-A303 VanDerWaalsContact C-N 3.3Å; G301-A303 PolarHBondContact O-N 2.92Å; A303-A306 WeakPolarHBondContact O-CB 3.44Å; A303-A306 PolarHBondContact O-N 3.47Å; A303-G307 PolarHBondContact O-N 3.08Å; A303-A328 HydrophobicContact CB-CB 4.45Å; A303-A328 WeakPolarHBondContact O-CB 3.38Å; A303-I332 HydrophobicContact CB-CB 4Å; A303-I332 HydrophobicContact CB-CG1 3.54Å; A303-F338 HydrophobicContact CB-CE2 3.93Å; A303-F338 HydrophobicContact CB-CZ 4.45Å
304	F	97.6	Very high	91.1	Very high	14 Å²	14	23.2 Å²	23.2	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-51.3	175.1	-178.6	-83.1	0	0	0	110.5	F220 I263 T265 L271 A300 G301 A306 G307 F308 L322 A325 V326 A329	F220-F304 HydrophobicContact CD1-CD1 4.28Å; F220-F304 HydrophobicContact CD1-CE1 4.23Å; F220-F304 HydrophobicContact CE1-CD1 4.36Å; F220-F304 HydrophobicContact CE1-CE1 4.19Å; I263-F304 HydrophobicContact CG2-CE1 3.81Å; I263-F304 HydrophobicContact CG2-CZ 4Å; T265-F304 HydrophobicContact CG2-CD1 4.01Å; T265-F304 HydrophobicContact CG2-CD2 4.24Å; T265-F304 HydrophobicContact CG2-CE1 3.97Å; T265-F304 HydrophobicContact CG2-CE2 4.18Å; T265-F304 HydrophobicContact CG2-CG 4.16Å; T265-F304 HydrophobicContact CG2-CZ 4.06Å; L271-F304 HydrophobicContact CD2-CE2 3.61Å; L271-F304 HydrophobicContact CD2-CZ 3.59Å; A300-F304 WeakPolarHBondContact O-CB 3.42Å; A300-F304 PolarHBondContact O-N 3.04Å; G301-F304 WeakPolarHBondContact O-CB 3.21Å; G301-F304 PolarHBondContact O-N 3Å; F304-A306 VanDerWaalsContact C-N 3.29Å; F304-A306 PolarHBondContact O-N 3.29Å; F304-G307 PolarHBondContact O-N 3.49Å; F304-F308 PolarHBondContact O-N 3.49Å; F304-L322 HydrophobicContact CZ-CD2 3.99Å; F304-A325 HydrophobicContact CD1-CB 4.05Å; F304-A325 HydrophobicContact CD2-CB 3.57Å; F304-A325 HydrophobicContact CE1-CB 3.91Å; F304-A325 HydrophobicContact CE2-CB 3.44Å; F304-A325 VanDerWaalsContact CE2-CB 3.44Å; F304-A325 HydrophobicContact CG-CB 3.87Å; F304-A325 HydrophobicContact CZ-CB 3.6Å; F304-A325 VanDerWaalsContact O-CB 3.27Å; F304-A325 WeakPolarHBondContact O-CB 3.46Å; F304-V326 HydrophobicContact CE2-CG2 4.12Å; F304-A329 HydrophobicContact CB-CB 4.25Å
305	A	98.7	Very high	92.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-43.4	176.2	0	0	0	0	0	111.2	T69 Y165 F220 G301 D302 F308 I309	T69-A305 HydrophobicContact CG2-CB 3.93Å; Y165-A305 HydrophobicContact CE2-CB 3.74Å; F220-A305 HydrophobicContact CD1-CB 4.32Å; F220-A305 HydrophobicContact CD2-CB 4.28Å; F220-A305 HydrophobicContact CE1-CB 4.32Å; F220-A305 HydrophobicContact CE2-CB 4.29Å; F220-A305 HydrophobicContact CG-CB 4.29Å; F220-A305 HydrophobicContact CZ-CB 4.31Å; G301-A305 PolarHBondContact O-N 2.8Å; D302-A305 PolarHBondContact O-N 3.38Å; A305-F308 PolarHBondContact O-N 2.89Å; A305-I309 WeakPolarHBondContact O-CB 3.48Å; A305-I309 WeakPolarHBondContact O-CD1 3.32Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.33Å
306	A	98.8	Very high	93.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-48.7	178.8	0	0	0	0	0	112.6	T69 M72 I73 D302 A303 F304 F308 I309 A310	T69-A306 HydrophobicContact CG2-CB 3.97Å; T69-A306 WeakPolarHBondContact O-CB 3.38Å; M72-A306 HydrophobicContact CB-CB 3.74Å; M72-A306 HydrophobicContact CG-CB 3.9Å; M72-A306 HydrophobicContact SD-CB 4.18Å; I73-A306 HydrophobicContact CG1-CB 3.83Å; D302-A306 WeakPolarHBondContact O-CB 3.32Å; D302-A306 PolarHBondContact O-N 3.06Å; A303-A306 WeakPolarHBondContact O-CB 3.44Å; A303-A306 PolarHBondContact O-N 3.47Å; F304-A306 VanDerWaalsContact C-N 3.29Å; F304-A306 PolarHBondContact O-N 3.29Å; A306-F308 PolarHBondContact O-N 3.45Å; A306-I309 PolarHBondContact O-N 2.89Å; A306-A310 VanDerWaalsContact O-CB 3.24Å; A306-A310 WeakPolarHBondContact O-CB 3.26Å; A306-A310 PolarHBondContact O-N 3.18Å
307	G	98.5	Very high	94.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-41.1	179.4	0	0	0	0	0	112.5	A303 F304 D311	A303-G307 PolarHBondContact O-N 3.08Å; F304-G307 PolarHBondContact O-N 3.49Å; G307-D311 PolarHBondContact O-N 2.81Å
308	F	98.8	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-55.6	175.3	-174.3	-87.6	0	0	0	111.1	I218 F220 L261 I263 F304 A305 A306 A310 D311 Y312 M318 L322 A325	I218-F308 HydrophobicContact CD1-CE1 3.89Å; F220-F308 HydrophobicContact CE1-CB 4.03Å; F220-F308 HydrophobicContact CE1-CD1 4.11Å; F220-F308 HydrophobicContact CE1-CG 4.06Å; F220-F308 HydrophobicContact CZ-CB 4.13Å; F220-F308 AromaticContact CZ-CD1 3.71Å; F220-F308 HydrophobicContact CZ-CD1 3.71Å; F220-F308 HydrophobicContact CZ-CG 4.09Å; L261-F308 HydrophobicContact CD2-CE1 3.92Å; L261-F308 HydrophobicContact CD2-CE2 4.45Å; L261-F308 HydrophobicContact CD2-CZ 3.5Å; I263-F308 HydrophobicContact CD1-CD1 4.33Å; I263-F308 HydrophobicContact CD1-CD2 3.79Å; I263-F308 HydrophobicContact CD1-CE1 4.18Å; I263-F308 HydrophobicContact CD1-CE2 3.6Å; I263-F308 HydrophobicContact CD1-CG 4.16Å; I263-F308 HydrophobicContact CD1-CZ 3.81Å; F304-F308 PolarHBondContact O-N 3.49Å; A305-F308 PolarHBondContact O-N 2.89Å; A306-F308 PolarHBondContact O-N 3.45Å; F308-A310 PolarHBondContact O-N 2.93Å; F308-D311 PolarHBondContact O-N 3.06Å; F308-Y312 HydrophobicContact CE1-CD1 4.13Å; F308-Y312 HydrophobicContact CE1-CD2 4.04Å; F308-Y312 AromaticContact CE1-CG 3.72Å; F308-Y312 HydrophobicContact CE1-CG 3.72Å; F308-Y312 AromaticContact CZ-CD2 3.86Å; F308-Y312 HydrophobicContact CZ-CD2 3.86Å; F308-Y312 HydrophobicContact CZ-CE2 4.38Å; F308-Y312 HydrophobicContact CZ-CG 4.04Å; F308-Y312 VanDerWaalsContact O-CB 3.24Å; F308-Y312 WeakPolarHBondContact O-CB 3.31Å; F308-Y312 PolarHBondContact O-N 3.15Å; F308-M318 HydrophobicContact CE2-CE 4.03Å; F308-M318 HydrophobicContact CE2-SD 3.6Å; F308-M318 HydrophobicContact CZ-CE 4.3Å; F308-M318 HydrophobicContact CZ-SD 3.59Å; F308-M318 VanDerWaalsContact CZ-SD 3.59Å; F308-L322 HydrophobicContact CD2-CD2 3.99Å; F308-L322 HydrophobicContact CD2-CG 4.43Å; F308-L322 HydrophobicContact CE2-CD2 4.01Å; F308-L322 HydrophobicContact CE2-CG 4.2Å; F308-A325 HydrophobicContact CB-CB 3.77Å; F308-A325 HydrophobicContact CD2-CB 4.49Å
309	I	98.9	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-46.8	-173.7	-67.4	165.5	0	0	0	110.1	I73 V163 Y165 C193 F220 A305 A306 D311 Y312 I313	I73-I309 HydrophobicContact CD1-CB 3.95Å; I73-I309 HydrophobicContact CD1-CD1 4.19Å; I73-I309 HydrophobicContact CD1-CG2 3.77Å; V163-I309 HydrophobicContact CG1-CG2 4.05Å; Y165-I309 HydrophobicContact CD2-CD1 3.44Å; Y165-I309 VanDerWaalsContact CD2-CD1 3.44Å; Y165-I309 HydrophobicContact CE2-CD1 4.06Å; Y165-I309 HydrophobicContact CG-CD1 4.15Å; C193-I309 HydrophobicContact CB-CD1 3.97Å; F220-I309 HydrophobicContact CE2-CD1 3.96Å; F220-I309 HydrophobicContact CE2-CG1 4.14Å; F220-I309 HydrophobicContact CZ-CD1 4.27Å; F220-I309 HydrophobicContact CZ-CG1 4.02Å; A305-I309 WeakPolarHBondContact O-CB 3.48Å; A305-I309 WeakPolarHBondContact O-CD1 3.32Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.33Å; A306-I309 PolarHBondContact O-N 2.89Å; I309-D311 VanDerWaalsContact C-N 3.27Å; I309-D311 PolarHBondContact O-N 3.49Å; I309-Y312 PolarHBondContact O-N 3.43Å; I309-I313 HydrophobicContact CG2-CD1 4.37Å; I309-I313 HydrophobicContact CG2-CG2 3.93Å; I309-I313 VanDerWaalsContact O-CG1 3.27Å; I309-I313 WeakPolarHBondContact O-CG1 3.38Å; I309-I313 VanDerWaalsContact O-CG2 3.3Å; I309-I313 WeakPolarHBondContact O-CG2 3Å; I309-I313 PolarHBondContact O-N 3.44Å
310	A	98.6	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-38.6	-177.5	0	0	0	0	0	112.8	I73 I76 I77 A306 F308 R314	I73-A310 HydrophobicContact CG2-CB 4.33Å; I76-A310 HydrophobicContact CB-CB 4.13Å; I76-A310 HydrophobicContact CD1-CB 4.32Å; I76-A310 HydrophobicContact CG2-CB 3.68Å; I77-A310 HydrophobicContact CG1-CB 4.32Å; A306-A310 VanDerWaalsContact O-CB 3.24Å; A306-A310 WeakPolarHBondContact O-CB 3.26Å; A306-A310 PolarHBondContact O-N 3.18Å; F308-A310 PolarHBondContact O-N 2.93Å; A310-R314 WeakPolarHBondContact O-CG 3.35Å; A310-R314 PolarHBondContact O-NE 3.01Å
311	D	98.3	Very high	97.9	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-82.2	-42.3	177.4	-95.6	30.7	0	0	0	112.4	G307 F308 I309 I313 R314 K316 A324	G307-D311 PolarHBondContact O-N 2.81Å; F308-D311 PolarHBondContact O-N 3.06Å; I309-D311 VanDerWaalsContact C-N 3.27Å; I309-D311 PolarHBondContact O-N 3.49Å; D311-I313 PolarHBondContact O-N 3.33Å; D311-R314 PolarHBondContact O-N 2.83Å; D311-R314 VanDerWaalsContact O-N 3.11Å; D311-R314 IonicContact OD1-CZ 2.79Å; D311-R314 IonicContact OD1-NH2 2.9Å; D311-R314 PolarHBondContact OD1-NH2 2.9Å; D311-K316 HydrophobicContact CB-CB 4Å; D311-K316 HydrophobicContact CB-CG 3.86Å; D311-K316 VanDerWaalsContact O-CB 3.26Å; D311-K316 WeakPolarHBondContact O-CB 2.97Å; D311-K316 VanDerWaalsContact O-CG 3.27Å; D311-K316 WeakPolarHBondContact O-CG 3.38Å; D311-K316 PolarHBondContact O-N 3.23Å; D311-K316 VanDerWaalsContact O-N 3.15Å; D311-A324 HydrophobicContact CB-CB 3.83Å; D311-A324 WeakPolarHBondContact OD2-CB 3.47Å
312	Y	98.6	Very high	98.2	Very high	88 Å²	88	28 Å²	28	35%	0.345	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-45	-177.4	-168.3	-106.6	0	0	0	112.1	L191 I218 F308 I309 R314 G315 S321	L191-Y312 HydrophobicContact CD2-CD1 4.41Å; I218-Y312 HydrophobicContact CD1-CD1 4.04Å; I218-Y312 HydrophobicContact CD1-CE1 4.05Å; F308-Y312 HydrophobicContact CE1-CD1 4.13Å; F308-Y312 HydrophobicContact CE1-CD2 4.04Å; F308-Y312 AromaticContact CE1-CG 3.72Å; F308-Y312 HydrophobicContact CE1-CG 3.72Å; F308-Y312 AromaticContact CZ-CD2 3.86Å; F308-Y312 HydrophobicContact CZ-CD2 3.86Å; F308-Y312 HydrophobicContact CZ-CE2 4.38Å; F308-Y312 HydrophobicContact CZ-CG 4.04Å; F308-Y312 VanDerWaalsContact O-CB 3.24Å; F308-Y312 WeakPolarHBondContact O-CB 3.31Å; F308-Y312 PolarHBondContact O-N 3.15Å; I309-Y312 PolarHBondContact O-N 3.43Å; Y312-R314 PolarHBondContact O-N 2.87Å; Y312-G315 PolarHBondContact O-N 2.85Å; Y312-S321 WeakPolarHBondContact CA-OG 3.15Å; Y312-S321 PolarHBondContact N-OG 3.06Å
313	I	98.4	Very high	98.1	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.097	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.6	180	74.4	-178.9	0	0	0	112.9	L4 Y8 V9 I77 V163 L191 I309 D311 G315	L4-I313 HydrophobicContact CD1-CD1 3.82Å; L4-I313 HydrophobicContact CD1-CG1 4.05Å; Y8-I313 HydrophobicContact CD1-CD1 4.37Å; Y8-I313 HydrophobicContact CE1-CD1 4.49Å; V9-I313 HydrophobicContact CG2-CD1 3.54Å; I77-I313 HydrophobicContact CD1-CD1 4.32Å; V163-I313 HydrophobicContact CB-CG2 4.5Å; V163-I313 HydrophobicContact CG1-CG2 4.12Å; V163-I313 HydrophobicContact CG2-CB 4.19Å; V163-I313 HydrophobicContact CG2-CD1 4.41Å; V163-I313 HydrophobicContact CG2-CG2 3.62Å; L191-I313 HydrophobicContact CD2-CG2 3.8Å; I309-I313 HydrophobicContact CG2-CD1 4.37Å; I309-I313 HydrophobicContact CG2-CG2 3.93Å; I309-I313 VanDerWaalsContact O-CG1 3.27Å; I309-I313 WeakPolarHBondContact O-CG1 3.38Å; I309-I313 VanDerWaalsContact O-CG2 3.3Å; I309-I313 WeakPolarHBondContact O-CG2 3Å; I309-I313 PolarHBondContact O-N 3.44Å; D311-I313 PolarHBondContact O-N 3.33Å; I313-G315 VanDerWaalsContact C-N 3.27Å
314	R	97.9	Very high	98.1	Very high	34 Å²	34	33 Å²	33	13%	0.128	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	12.1	173.7	-68.2	-174.5	-63.8	178	-2.6	112.7	L4 A310 D311 Y312	L4-R314 HydrophobicContact CD1-CG 3.94Å; L4-R314 HydrophobicContact CG-CG 4.4Å; A310-R314 WeakPolarHBondContact O-CG 3.35Å; A310-R314 PolarHBondContact O-NE 3.01Å; D311-R314 PolarHBondContact O-N 2.83Å; D311-R314 VanDerWaalsContact O-N 3.11Å; D311-R314 IonicContact OD1-CZ 2.79Å; D311-R314 IonicContact OD1-NH2 2.9Å; D311-R314 PolarHBondContact OD1-NH2 2.9Å; Y312-R314 PolarHBondContact O-N 2.87Å
315	G	97.2	Very high	98.1	Very high	60 Å²	60	32.3 Å²	32.3	62%	0.619	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	19.5	175	0	0	0	0	0	114.3	Y312 I313	Y312-G315 PolarHBondContact O-N 2.85Å; I313-G315 VanDerWaalsContact C-N 3.27Å
316	K	97.8	Very high	97.9	Very high	70 Å²	70	32.8 Å²	32.8	30%	0.304	18%	0.181	S	C	.	.			trans	-77.9	141.2	173.5	-59.4	-60.2	-174.5	175.2	0	110.6	D311 T320 S321	D311-K316 HydrophobicContact CB-CB 4Å; D311-K316 HydrophobicContact CB-CG 3.86Å; D311-K316 VanDerWaalsContact O-CB 3.26Å; D311-K316 WeakPolarHBondContact O-CB 2.97Å; D311-K316 VanDerWaalsContact O-CG 3.27Å; D311-K316 WeakPolarHBondContact O-CG 3.38Å; D311-K316 PolarHBondContact O-N 3.23Å; D311-K316 VanDerWaalsContact O-N 3.15Å; K316-T320 HydrophobicContact CB-CG2 4.17Å; K316-T320 HydrophobicContact CD-CG2 4.31Å; K316-T320 HydrophobicContact CG-CG2 4.42Å; K316-S321 PolarHBondContact O-OG 3.13Å
317	P	97.9	Very high	97.6	Very high	81 Å²	81	35.8 Å²	35.8	53%	0.526	19%	0.194	S	C	.	.			trans	-70.5	161.1	179.5	30.7	-35.7	0	0	0	111.4	I319 T320 S321	P317-I319 PolarHBondContact O-N 3.31Å; P317-T320 WeakPolarHBondContact CG-OG1 3.44Å; P317-T320 PolarHBondContact O-N 2.68Å; P317-S321 PolarHBondContact O-N 3.08Å; P317-S321 PolarHBondContact O-OG 3.4Å
318	M	98.2	Very high	97.5	Very high	38 Å²	38	35.7 Å²	35.7	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-43.5	-55.6	-175.2	-177.3	58.5	-176.5	0	0	113.9	L261 I263 Y273 F308 T320 S321 L322	L261-M318 HydrophobicContact CD1-CE 3.49Å; L261-M318 VanDerWaalsContact CD1-CE 3.49Å; L261-M318 HydrophobicContact CD1-SD 3.99Å; L261-M318 HydrophobicContact CD2-CE 3.92Å; L261-M318 HydrophobicContact CD2-SD 3.73Å; L261-M318 HydrophobicContact CG-CE 4.24Å; I263-M318 HydrophobicContact CD1-CE 3.99Å; I263-M318 HydrophobicContact CG1-CE 4.06Å; Y273-M318 HydrophobicContact CD1-CE 4.4Å; Y273-M318 HydrophobicContact CD2-CE 3.53Å; Y273-M318 HydrophobicContact CD2-CG 4.31Å; Y273-M318 HydrophobicContact CE2-CE 4.3Å; Y273-M318 HydrophobicContact CE2-CG 4.19Å; Y273-M318 HydrophobicContact CG-CE 3.6Å; F308-M318 HydrophobicContact CE2-CE 4.03Å; F308-M318 HydrophobicContact CE2-SD 3.6Å; F308-M318 HydrophobicContact CZ-CE 4.3Å; F308-M318 HydrophobicContact CZ-SD 3.59Å; F308-M318 VanDerWaalsContact CZ-SD 3.59Å; M318-T320 PolarHBondContact O-N 3.32Å; M318-S321 PolarHBondContact O-N 3.29Å; M318-L322 HydrophobicContact CE-CD1 3.95Å; M318-L322 HydrophobicContact CE-CD2 4.05Å; M318-L322 HydrophobicContact CE-CG 4Å; M318-L322 WeakPolarHBondContact O-CG 3.29Å; M318-L322 PolarHBondContact O-N 3.41Å
319	I	98.1	Very high	97.3	Very high	75 Å²	75	36.3 Å²	36.3	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-41.3	-177.9	-57.7	-51.6	0	0	0	111.7	Y273 F284 P317 L322 H323	Y273-I319 HydrophobicContact CE1-CD1 4.32Å; Y273-I319 WeakPolarHBondContact OH-CD1 3.46Å; F284-I319 HydrophobicContact CD2-CD1 4.41Å; F284-I319 HydrophobicContact CE2-CG2 4Å; P317-I319 PolarHBondContact O-N 3.31Å; I319-L322 HydrophobicContact CD1-CD1 4.35Å; I319-L322 PolarHBondContact O-N 2.92Å; I319-H323 PolarHBondContact O-CD2 2.78Å; I319-H323 PolarHBondContact O-N 3.36Å
320	T	97.7	Very high	96.9	Very high	60 Å²	60	36.6 Å²	36.6	37%	0.368	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-40.7	177.3	-57.8	0	0	0	0	111.4	K316 P317 M318 H323 A324	K316-T320 HydrophobicContact CB-CG2 4.17Å; K316-T320 HydrophobicContact CD-CG2 4.31Å; K316-T320 HydrophobicContact CG-CG2 4.42Å; P317-T320 WeakPolarHBondContact CG-OG1 3.44Å; P317-T320 PolarHBondContact O-N 2.68Å; M318-T320 PolarHBondContact O-N 3.32Å; T320-H323 PolarHBondContact O-N 2.93Å; T320-A324 PolarHBondContact O-N 3.06Å
321	S	98.3	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-35.7	175.7	-57	0	0	0	0	112.3	Y312 K316 P317 M318 A324 A325	Y312-S321 WeakPolarHBondContact CA-OG 3.15Å; Y312-S321 PolarHBondContact N-OG 3.06Å; K316-S321 PolarHBondContact O-OG 3.13Å; P317-S321 PolarHBondContact O-N 3.08Å; P317-S321 PolarHBondContact O-OG 3.4Å; M318-S321 PolarHBondContact O-N 3.29Å; S321-A324 WeakPolarHBondContact O-CB 3.37Å; S321-A324 PolarHBondContact O-N 3.02Å; S321-A325 WeakPolarHBondContact O-CB 3.35Å; S321-A325 PolarHBondContact O-N 3.16Å
322	L	98	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-42.2	171.6	-72.7	176.7	0	0	0	112.1	I263 L271 Y273 F284 F304 F308 M318 I319 A324 A325 V326	I263-L322 HydrophobicContact CD1-CD2 4.18Å; I263-L322 HydrophobicContact CG2-CD2 4.3Å; L271-L322 HydrophobicContact CD1-CD1 4.32Å; L271-L322 HydrophobicContact CD1-CD2 4.03Å; L271-L322 HydrophobicContact CD2-CD2 4.3Å; Y273-L322 HydrophobicContact CD1-CD1 3.73Å; Y273-L322 HydrophobicContact CE1-CD1 3.86Å; Y273-L322 HydrophobicContact CG-CD1 4.31Å; F284-L322 HydrophobicContact CB-CD1 4Å; F284-L322 HydrophobicContact CD1-CB 4.29Å; F284-L322 HydrophobicContact CD1-CD1 4.42Å; F284-L322 HydrophobicContact CD2-CB 4.2Å; F284-L322 HydrophobicContact CD2-CD1 3.71Å; F284-L322 HydrophobicContact CE1-CB 4.06Å; F284-L322 HydrophobicContact CE2-CB 3.96Å; F284-L322 HydrophobicContact CE2-CD1 4.26Å; F284-L322 HydrophobicContact CG-CB 4.35Å; F284-L322 HydrophobicContact CG-CD1 3.79Å; F284-L322 HydrophobicContact CZ-CB 3.88Å; F304-L322 HydrophobicContact CZ-CD2 3.99Å; F308-L322 HydrophobicContact CD2-CD2 3.99Å; F308-L322 HydrophobicContact CD2-CG 4.43Å; F308-L322 HydrophobicContact CE2-CD2 4.01Å; F308-L322 HydrophobicContact CE2-CG 4.2Å; M318-L322 HydrophobicContact CE-CD1 3.95Å; M318-L322 HydrophobicContact CE-CD2 4.05Å; M318-L322 HydrophobicContact CE-CG 4Å; M318-L322 WeakPolarHBondContact O-CG 3.29Å; M318-L322 PolarHBondContact O-N 3.41Å; I319-L322 HydrophobicContact CD1-CD1 4.35Å; I319-L322 PolarHBondContact O-N 2.92Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.88Å; L322-A325 WeakPolarHBondContact O-CB 3.37Å; L322-A325 PolarHBondContact O-N 3.27Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 2.8Å
323	H	96.6	Very high	95.9	Very high	113 Å²	113	33.5 Å²	33.5	52%	0.523	19%	0.188	S	C	.	.	H	α-helix	trans	-60.9	-40.1	172.4	-79.7	-74.6	0	0	0	112.1	F284 I319 T320 A325 V326 K327	F284-H323 AromaticContact CE2-CD2 3.92Å; F284-H323 AromaticContact CE2-NE2 3.72Å; F284-H323 AromaticContact CZ-CD2 3.69Å; F284-H323 AromaticContact CZ-CE1 3.61Å; F284-H323 AromaticContact CZ-CG 3.79Å; F284-H323 AromaticContact CZ-ND1 3.75Å; F284-H323 AromaticContact CZ-NE2 3.59Å; I319-H323 PolarHBondContact O-CD2 2.78Å; I319-H323 PolarHBondContact O-N 3.36Å; T320-H323 PolarHBondContact O-N 2.93Å; H323-A325 VanDerWaalsContact C-N 3.34Å; H323-V326 PolarHBondContact O-N 2.85Å; H323-K327 WeakPolarHBondContact O-CB 3.24Å; H323-K327 PolarHBondContact O-N 3.16Å
324	A	96.8	Very high	95.4	Very high	14 Å²	14	34 Å²	34	12%	0.116	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-37.3	175.9	0	0	0	0	0	112.4	D311 T320 S321 L322 K327 A328	D311-A324 HydrophobicContact CB-CB 3.83Å; D311-A324 WeakPolarHBondContact OD2-CB 3.47Å; T320-A324 PolarHBondContact O-N 3.06Å; S321-A324 WeakPolarHBondContact O-CB 3.37Å; S321-A324 PolarHBondContact O-N 3.02Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.88Å; A324-K327 PolarHBondContact O-N 3.28Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.42Å
325	A	97.3	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-49.9	173.7	0	0	0	0	0	111.7	F304 F308 S321 L322 H323 K327 A328 A329	F304-A325 HydrophobicContact CD1-CB 4.05Å; F304-A325 HydrophobicContact CD2-CB 3.57Å; F304-A325 HydrophobicContact CE1-CB 3.91Å; F304-A325 HydrophobicContact CE2-CB 3.44Å; F304-A325 VanDerWaalsContact CE2-CB 3.44Å; F304-A325 HydrophobicContact CG-CB 3.87Å; F304-A325 HydrophobicContact CZ-CB 3.6Å; F304-A325 VanDerWaalsContact O-CB 3.27Å; F304-A325 WeakPolarHBondContact O-CB 3.46Å; F308-A325 HydrophobicContact CB-CB 3.77Å; F308-A325 HydrophobicContact CD2-CB 4.49Å; S321-A325 WeakPolarHBondContact O-CB 3.35Å; S321-A325 PolarHBondContact O-N 3.16Å; L322-A325 WeakPolarHBondContact O-CB 3.37Å; L322-A325 PolarHBondContact O-N 3.27Å; H323-A325 VanDerWaalsContact C-N 3.34Å; A325-K327 VanDerWaalsContact C-N 3.33Å; A325-K327 PolarHBondContact O-N 2.78Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-A329 PolarHBondContact O-N 2.78Å
326	V	94.6	Very high	94.2	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-42.9	176.3	173.4	0	0	0	0	111	F284 V286 E287 F304 L322 H323 A328 A329 A330	F284-V326 HydrophobicContact CE1-CG2 4.07Å; V286-V326 HydrophobicContact CG1-CG1 3.9Å; V286-V326 HydrophobicContact CG1-CG2 4.02Å; E287-V326 HydrophobicContact CB-CG1 4.32Å; F304-V326 HydrophobicContact CE2-CG2 4.12Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 2.8Å; H323-V326 PolarHBondContact O-N 2.85Å; V326-A328 VanDerWaalsContact C-N 3.33Å; V326-A328 PolarHBondContact O-N 3.44Å; V326-A329 PolarHBondContact O-N 3.35Å; V326-A330 VanDerWaalsContact O-CB 3.32Å; V326-A330 WeakPolarHBondContact O-CB 3.4Å; V326-A330 PolarHBondContact O-N 3.14Å
327	K	93.9	Very high	93.7	Very high	62 Å²	62	32.8 Å²	32.8	27%	0.27	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-41.5	175.7	176.1	177.4	178.3	-176.9	0	112.5	H323 A324 A325 A330 Y331 Y346 I350	H323-K327 WeakPolarHBondContact O-CB 3.24Å; H323-K327 PolarHBondContact O-N 3.16Å; A324-K327 PolarHBondContact O-N 3.28Å; A325-K327 VanDerWaalsContact C-N 3.33Å; A325-K327 PolarHBondContact O-N 2.78Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 3.11Å; K327-Y331 PolarHBondContact O-N 3.07Å; K327-Y346 HydrophobicContact CD-CE1 4.22Å; K327-Y346 WeakPolarHBondContact CE-O 3.42Å; K327-Y346 HydrophobicContact CG-CE2 4.35Å; K327-Y346 PolarHBondContact NZ-O 2.86Å; K327-I350 HydrophobicContact CB-CD1 4.25Å; K327-I350 HydrophobicContact CD-CD1 4.29Å; K327-I350 HydrophobicContact CG-CD1 4.03Å
328	A	95.6	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-46.5	178.3	0	0	0	0	0	111.3	M72 I76 A303 A324 A325 V326 A330 Y331 I332 Y346	M72-A328 HydrophobicContact CE-CB 3.57Å; M72-A328 HydrophobicContact SD-CB 4.28Å; I76-A328 HydrophobicContact CD1-CB 4.35Å; A303-A328 HydrophobicContact CB-CB 4.45Å; A303-A328 WeakPolarHBondContact O-CB 3.38Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.42Å; A325-A328 PolarHBondContact O-N 2.88Å; V326-A328 VanDerWaalsContact C-N 3.33Å; V326-A328 PolarHBondContact O-N 3.44Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 2.77Å; A328-Y331 WeakPolarHBondContact O-CB 3.06Å; A328-Y331 PolarHBondContact O-N 2.69Å; A328-I332 PolarHBondContact O-N 3.22Å; A328-Y346 VanDerWaalsContact CA-OH 3.22Å; A328-Y346 WeakPolarHBondContact CA-OH 3.32Å; A328-Y346 WeakPolarHBondContact CB-OH 3.37Å; A328-Y346 PolarHBondContact N-OH 3.4Å
329	A	94	Very high	93.2	Very high	12 Å²	12	29 Å²	29	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-46.2	174	0	0	0	0	0	111.7	A300 F304 A325 V326 Y331 I332 I333	A300-A329 HydrophobicContact CB-CB 4.49Å; F304-A329 HydrophobicContact CB-CB 4.25Å; A325-A329 PolarHBondContact O-N 2.78Å; V326-A329 PolarHBondContact O-N 3.35Å; A329-Y331 VanDerWaalsContact C-N 3.26Å; A329-Y331 PolarHBondContact O-N 2.63Å; A329-I332 PolarHBondContact O-N 2.84Å; A329-I333 WeakPolarHBondContact O-CB 3.41Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.45Å; A329-I333 PolarHBondContact O-N 3.5Å
330	A	91.1	Very high	93.1	Very high	7 Å²	7	26.9 Å²	26.9	6%	0.058	15%	0.145	C	C	.	.	H	α-helix	trans	-53.8	-43.2	176.1	0	0	0	0	0	112.7	F289 V326 K327 A328 I333 C334	F289-A330 HydrophobicContact CE1-CB 3.51Å; F289-A330 HydrophobicContact CE2-CB 4.04Å; F289-A330 HydrophobicContact CZ-CB 3.14Å; V326-A330 VanDerWaalsContact O-CB 3.32Å; V326-A330 WeakPolarHBondContact O-CB 3.4Å; V326-A330 PolarHBondContact O-N 3.14Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 3.11Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 2.77Å; A330-I333 PolarHBondContact O-N 3.44Å; A330-C334 PolarHBondContact O-N 2.9Å; A330-C334 PolarHBondContact O-SG 3.14Å
331	Y	92.6	Very high	92.9	Very high	28 Å²	28	25 Å²	25	11%	0.11	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-43.4	-178.7	176.5	-99	0	0	0	112.1	M72 W75 K327 A328 A329 R335 L340 G341 Y346	M72-Y331 HydrophobicContact CE-CD1 4.1Å; W75-Y331 HydrophobicContact CH2-CD1 4.36Å; W75-Y331 AromaticContact CH2-CE1 3.72Å; W75-Y331 HydrophobicContact CH2-CE1 3.72Å; W75-Y331 HydrophobicContact CH2-CE2 4.15Å; W75-Y331 AromaticContact CH2-CZ 3.58Å; W75-Y331 HydrophobicContact CZ2-CE1 4.24Å; W75-Y331 AromaticContact CZ2-CZ 3.96Å; W75-Y331 WeakPolarHBondContact CZ2-OH 3.39Å; W75-Y331 HydrophobicContact CZ3-CE1 4.23Å; K327-Y331 PolarHBondContact O-N 3.07Å; A328-Y331 WeakPolarHBondContact O-CB 3.06Å; A328-Y331 PolarHBondContact O-N 2.69Å; A329-Y331 VanDerWaalsContact C-N 3.26Å; A329-Y331 PolarHBondContact O-N 2.63Å; Y331-R335 WeakPolarHBondContact O-CG 3.3Å; Y331-L340 HydrophobicContact CE1-CD2 4.27Å; Y331-G341 WeakPolarHBondContact OH-CA 3.25Å; Y331-G341 PolarHBondContact OH-N 2.85Å; Y331-Y346 HydrophobicContact CD1-CD2 4.22Å; Y331-Y346 HydrophobicContact CD1-CE2 4.32Å; Y331-Y346 AromaticContact CD2-CD2 3.74Å; Y331-Y346 HydrophobicContact CD2-CD2 3.74Å; Y331-Y346 HydrophobicContact CD2-CE2 4.35Å; Y331-Y346 HydrophobicContact CE2-CD2 4.25Å; Y331-Y346 AromaticContact CG-CD2 3.7Å; Y331-Y346 HydrophobicContact CG-CD2 3.7Å; Y331-Y346 AromaticContact CG-CE2 3.88Å; Y331-Y346 HydrophobicContact CG-CE2 3.88Å
332	I	92.4	Very high	92.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-38.5	176.1	-68.4	-55.1	0	0	0	110.8	M72 A303 A328 A329 C334 R335 F338 L340	M72-I332 HydrophobicContact CE-CG1 4.21Å; M72-I332 HydrophobicContact SD-CD1 4.43Å; M72-I332 HydrophobicContact SD-CG1 4.04Å; A303-I332 HydrophobicContact CB-CB 4Å; A303-I332 HydrophobicContact CB-CG1 3.54Å; A328-I332 PolarHBondContact O-N 3.22Å; A329-I332 PolarHBondContact O-N 2.84Å; I332-C334 PolarHBondContact O-N 3.07Å; I332-R335 PolarHBondContact O-N 3.09Å; I332-F338 HydrophobicContact CD1-CD1 4.43Å; I332-F338 HydrophobicContact CD1-CD2 4.2Å; I332-F338 HydrophobicContact CD1-CE1 4.42Å; I332-F338 HydrophobicContact CD1-CE2 4.2Å; I332-F338 HydrophobicContact CD1-CG 4.33Å; I332-F338 HydrophobicContact CD1-CZ 4.31Å; I332-F338 HydrophobicContact CG1-CD2 4.13Å; I332-F338 HydrophobicContact CG1-CE2 3.9Å; I332-F338 HydrophobicContact CG1-CZ 4.3Å; I332-F338 HydrophobicContact CG2-CD2 4.04Å; I332-F338 HydrophobicContact CG2-CE2 4.48Å; I332-L340 HydrophobicContact CD1-CD2 3.98Å
333	I	88.7	Confident	92.5	Very high	21 Å²	21	30.8 Å²	30.8	11%	0.108	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-31.5	-178.7	-72.9	165.2	0	0	0	112.8	I294 I295 D296 A300 A329 A330 R335	I294-I333 HydrophobicContact CB-CG2 4.06Å; I294-I333 HydrophobicContact CG1-CG2 3.88Å; I294-I333 HydrophobicContact CG2-CG2 3.87Å; I295-I333 PolarHBondContact N-O 3.38Å; D296-I333 PolarHBondContact N-O 3.12Å; D296-I333 VanDerWaalsContact N-O 3.09Å; D296-I333 CarbonylContact O-C 3.41Å; D296-I333 WeakPolarHBondContact O-CA 3.19Å; D296-I333 WeakPolarHBondContact O-CB 3.47Å; D296-I333 WeakPolarHBondContact O-CG1 3.34Å; D296-I333 WeakPolarHBondContact O-CG2 3.28Å; A300-I333 HydrophobicContact CB-CD1 3.87Å; A300-I333 HydrophobicContact CB-CG1 3.7Å; A329-I333 WeakPolarHBondContact O-CB 3.41Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.45Å; A329-I333 PolarHBondContact O-N 3.5Å; A330-I333 PolarHBondContact O-N 3.44Å; I333-R335 PolarHBondContact O-N 2.87Å
334	C	88.5	Confident	92.3	Very high	30 Å²	30	31.1 Å²	31.1	20%	0.203	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	15.1	177.4	-64.4	0	0	0	0	113.9	I295 A330 I332	I295-C334 VanDerWaalsContact CD1-O 3.25Å; I295-C334 WeakPolarHBondContact CD1-O 3.46Å; A330-C334 PolarHBondContact O-N 2.9Å; A330-C334 PolarHBondContact O-SG 3.14Å; I332-C334 PolarHBondContact O-N 3.07Å
335	R	87.5	Confident	92.1	Very high	80 Å²	80	33.3 Å²	33.3	30%	0.302	19%	0.19	S	C	.	.	S	Bend	trans	-136.7	164.2	-176.2	-63.4	-177.6	66.4	71.7	4.7	110.9	D296 Y331 I332 I333 S339	D296-R335 WeakPolarHBondContact CB-O 3.39Å; Y331-R335 WeakPolarHBondContact O-CG 3.3Å; I332-R335 PolarHBondContact O-N 3.09Å; I333-R335 PolarHBondContact O-N 2.87Å; R335-S339 WeakPolarHBondContact CD-O 3.05Å; R335-S339 PolarHBondContact NE-O 2.76Å; R335-S339 PolarHBondContact NH2-OG 3.09Å
336	S	83.6	Confident	91.8	Very high	57 Å²	57	34.1 Å²	34.1	40%	0.399	19%	0.194	S	C	.	.	S	Bend	trans	-90.9	118.6	175.3	-175.2	0	0	0	0	110.2	I61	I61-S336 WeakPolarHBondContact CD1-O 3.31Å
337	G	85.4	Confident	90.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	64.2	-170	-171.9	0	0	0	0	0	113.1	D296 S339	D296-G337 WeakPolarHBondContact OD2-CA 3.24Å; D296-G337 PolarHBondContact OD2-N 3.17Å; G337-S339 PolarHBondContact O-N 2.77Å
338	F	93.4	Very high	88.5	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.009	24%	0.238	C	C	.	.	S	Bend	trans	-80.6	71.1	172.6	-157.2	-81.7	0	0	0	111	N68 K71 M72 G299 D302 A303 I332 L340	N68-F338 HydrophobicContact CB-CD1 3.87Å; N68-F338 HydrophobicContact CB-CD2 3.83Å; N68-F338 HydrophobicContact CB-CE1 3.82Å; N68-F338 HydrophobicContact CB-CE2 3.76Å; N68-F338 HydrophobicContact CB-CG 3.87Å; N68-F338 HydrophobicContact CB-CZ 3.75Å; N68-F338 VanDerWaalsContact CG-CG 3.49Å; N68-F338 WeakPolarHBondContact O-CE1 3.48Å; N68-F338 WeakPolarHBondContact O-CZ 3.21Å; N68-F338 WeakPolarHBondContact OD1-CD1 3.23Å; K71-F338 VanDerWaalsContact CE-CD1 3.48Å; K71-F338 HydrophobicContact CG-CE1 4.28Å; M72-F338 HydrophobicContact CB-CE1 3.98Å; M72-F338 HydrophobicContact CB-CZ 3.72Å; M72-F338 HydrophobicContact CG-CZ 4.32Å; M72-F338 HydrophobicContact SD-CE2 4.41Å; M72-F338 HydrophobicContact SD-CZ 3.75Å; G299-F338 WeakPolarHBondContact O-CE2 3.41Å; D302-F338 HydrophobicContact CB-CD2 4.47Å; D302-F338 HydrophobicContact CB-CE2 3.88Å; A303-F338 HydrophobicContact CB-CE2 3.93Å; A303-F338 HydrophobicContact CB-CZ 4.45Å; I332-F338 HydrophobicContact CD1-CD1 4.43Å; I332-F338 HydrophobicContact CD1-CD2 4.2Å; I332-F338 HydrophobicContact CD1-CE1 4.42Å; I332-F338 HydrophobicContact CD1-CE2 4.2Å; I332-F338 HydrophobicContact CD1-CG 4.33Å; I332-F338 HydrophobicContact CD1-CZ 4.31Å; I332-F338 HydrophobicContact CG1-CD2 4.13Å; I332-F338 HydrophobicContact CG1-CE2 3.9Å; I332-F338 HydrophobicContact CG1-CZ 4.3Å; I332-F338 HydrophobicContact CG2-CD2 4.04Å; I332-F338 HydrophobicContact CG2-CE2 4.48Å; F338-L340 HydrophobicContact CE1-CD1 4.49Å; F338-L340 HydrophobicContact CE1-CD2 4.13Å; F338-L340 HydrophobicContact CE1-CG 4.32Å
339	S	93.1	Very high	86.1	Confident	39 Å²	39	48.6 Å²	48.6	27%	0.273	27%	0.272	S	S	.	.			trans	-104.7	122.9	-179.1	172.8	0	0	0	0	111.5	R335 G337	R335-S339 WeakPolarHBondContact CD-O 3.05Å; R335-S339 PolarHBondContact NE-O 2.76Å; R335-S339 PolarHBondContact NH2-OG 3.09Å; G337-S339 PolarHBondContact O-N 2.77Å
340	L	95.7	Very high	83.7	Confident	30 Å²	30	51.8 Å²	51.8	16%	0.157	29%	0.286	C	S	.	.			trans	-94.4	105.5	174.2	-58.3	179	0	0	0	110.2	K71 M72 W75 L105 Y331 I332 F338	K71-L340 HydrophobicContact CG-CD1 3.98Å; M72-L340 HydrophobicContact CB-CD1 4.3Å; M72-L340 HydrophobicContact CB-CD2 4.26Å; M72-L340 HydrophobicContact CG-CD2 4.01Å; M72-L340 HydrophobicContact SD-CD2 4.27Å; W75-L340 HydrophobicContact CB-CD1 3.82Å; W75-L340 HydrophobicContact CD2-CB 4.47Å; W75-L340 HydrophobicContact CD2-CD2 4.45Å; W75-L340 HydrophobicContact CE3-CD2 4.49Å; W75-L340 HydrophobicContact CG-CB 4.34Å; W75-L340 HydrophobicContact CG-CD1 4Å; L105-L340 HydrophobicContact CD1-CD1 4.02Å; L105-L340 HydrophobicContact CD2-CD1 4.38Å; Y331-L340 HydrophobicContact CE1-CD2 4.27Å; I332-L340 HydrophobicContact CD1-CD2 3.98Å; F338-L340 HydrophobicContact CE1-CD1 4.49Å; F338-L340 HydrophobicContact CE1-CD2 4.13Å; F338-L340 HydrophobicContact CE1-CG 4.32Å
341	G	93	Very high	80.8	Confident	21 Å²	21	58.5 Å²	58.5	22%	0.216	32%	0.321	C	S	.	.			trans	-75.7	-163.2	173.6	0	0	0	0	0	114.1	W75 Y331 R343	W75-G341 VanDerWaalsContact CZ2-O 3.32Å; W75-G341 WeakPolarHBondContact CZ2-O 3.21Å; W75-G341 PolarHBondContact NE1-O 2.74Å; Y331-G341 WeakPolarHBondContact OH-CA 3.25Å; Y331-G341 PolarHBondContact OH-N 2.85Å; G341-R343 PolarHBondContact O-N 2.99Å
342	S	93.8	Very high	78	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	37%	0.371	S	S	.	.			trans	-56.7	134.9	174.6	174.8	0	0	0	0	111.3	D344 S345	S342-D344 PolarHBondContact O-N 2.85Å; S342-D344 PolarHBondContact OG-N 2.92Å; S342-S345 WeakPolarHBondContact O-CB 3.38Å; S342-S345 PolarHBondContact O-N 3.28Å; S342-S345 VanDerWaalsContact O-N 3.13Å
343	R	95	Very high	77.2	Confident	51 Å²	51	73.4 Å²	73.4	19%	0.192	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-64	-29.5	-177.2	-177.4	54.6	-175.6	72.5	5.8	113.6	W75 I76 Q78 G341 S345 Y346	W75-R343 VanDerWaalsContact CZ2-CA 3.46Å; W75-R343 HydrophobicContact CZ2-CB 4.2Å; W75-R343 WeakPolarHBondContact O-CD 3.35Å; W75-R343 PolarHBondContact O-NE 3.36Å; W75-R343 VanDerWaalsContact O-NE 3.08Å; I76-R343 PolarHBondContact O-NH2 3.31Å; I76-R343 VanDerWaalsContact O-NH2 3.11Å; Q78-R343 HydrophobicContact CG-CG 3.77Å; Q78-R343 VanDerWaalsContact OE1-NH2 3.14Å; G341-R343 PolarHBondContact O-N 2.99Å; R343-S345 PolarHBondContact O-N 3.46Å; R343-Y346 VanDerWaalsContact O-CB 3.31Å; R343-Y346 WeakPolarHBondContact O-CB 3.4Å; R343-Y346 PolarHBondContact O-N 3.44Å
344	D	92.9	Very high	76.6	Confident	121 Å²	121	76.2 Å²	76.2	65%	0.647	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-68.6	-26.3	178.4	-59.9	-31.9	0	0	0	111.9	S342 Y346	S342-D344 PolarHBondContact O-N 2.85Å; S342-D344 PolarHBondContact OG-N 2.92Å; D344-Y346 PolarHBondContact O-N 3.42Å
345	S	91.7	Very high	76	Confident	59 Å²	59	78.7 Å²	78.7	41%	0.413	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-75.1	-8.4	177.9	-58	0	0	0	0	113.7	S342 R343 S347 L348	S342-S345 WeakPolarHBondContact O-CB 3.38Å; S342-S345 PolarHBondContact O-N 3.28Å; S342-S345 VanDerWaalsContact O-N 3.13Å; R343-S345 PolarHBondContact O-N 3.46Å; S345-S347 PolarHBondContact O-N 2.99Å; S345-L348 PolarHBondContact O-N 2.86Å
346	Y	90.6	Very high	75.3	Confident	18 Å²	18	78.6 Å²	78.6	7%	0.071	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-65.4	-21.2	179.9	-166.7	-132.2	0	0	0	113.4	M72 W75 I76 K327 A328 Y331 R343 D344	M72-Y346 HydrophobicContact CE-CE2 4.14Å; W75-Y346 AromaticContact CH2-CD2 3.58Å; W75-Y346 HydrophobicContact CH2-CD2 3.58Å; W75-Y346 HydrophobicContact CH2-CE2 4.45Å; W75-Y346 AromaticContact CH2-CG 3.67Å; W75-Y346 HydrophobicContact CH2-CG 3.67Å; W75-Y346 HydrophobicContact CZ3-CD1 4.12Å; W75-Y346 AromaticContact CZ3-CD2 3.42Å; W75-Y346 HydrophobicContact CZ3-CD2 3.42Å; W75-Y346 VanDerWaalsContact CZ3-CD2 3.42Å; W75-Y346 AromaticContact CZ3-CE2 3.9Å; W75-Y346 HydrophobicContact CZ3-CE2 3.9Å; W75-Y346 AromaticContact CZ3-CG 3.55Å; W75-Y346 HydrophobicContact CZ3-CG 3.55Å; I76-Y346 HydrophobicContact CG1-CE1 4.25Å; K327-Y346 HydrophobicContact CD-CE1 4.22Å; K327-Y346 WeakPolarHBondContact CE-O 3.42Å; K327-Y346 HydrophobicContact CG-CE2 4.35Å; K327-Y346 PolarHBondContact NZ-O 2.86Å; A328-Y346 VanDerWaalsContact CA-OH 3.22Å; A328-Y346 WeakPolarHBondContact CA-OH 3.32Å; A328-Y346 WeakPolarHBondContact CB-OH 3.37Å; A328-Y346 PolarHBondContact N-OH 3.4Å; Y331-Y346 HydrophobicContact CD1-CD2 4.22Å; Y331-Y346 HydrophobicContact CD1-CE2 4.32Å; Y331-Y346 AromaticContact CD2-CD2 3.74Å; Y331-Y346 HydrophobicContact CD2-CD2 3.74Å; Y331-Y346 HydrophobicContact CD2-CE2 4.35Å; Y331-Y346 HydrophobicContact CE2-CD2 4.25Å; Y331-Y346 AromaticContact CG-CD2 3.7Å; Y331-Y346 HydrophobicContact CG-CD2 3.7Å; Y331-Y346 AromaticContact CG-CE2 3.88Å; Y331-Y346 HydrophobicContact CG-CE2 3.88Å; R343-Y346 VanDerWaalsContact O-CB 3.31Å; R343-Y346 WeakPolarHBondContact O-CB 3.4Å; R343-Y346 PolarHBondContact O-N 3.44Å; D344-Y346 PolarHBondContact O-N 3.42Å
347	S	70.8	Confident	74.8	Confident	82 Å²	82	80 Å²	80	57%	0.573	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-90.8	-18.3	-176	-51.7	0	0	0	0	113.5	S345 K349	S345-S347 PolarHBondContact O-N 2.99Å; S347-K349 PolarHBondContact O-N 3.12Å
348	L	49.3	Very low	74.1	Confident	130 Å²	130	85.3 Å²	85.3	68%	0.681	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	13.6	-154.3	-84.1	162.2	0	0	0	116.2	S345	S345-L348 PolarHBondContact O-N 2.86Å
349	K	45.7	Very low	72.7	Confident	164 Å²	164	91.3 Å²	91.3	71%	0.713	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	7.9	-172.7	-81.3	-164.7	175.8	-172.2	0	119	S347 N351	S347-K349 PolarHBondContact O-N 3.12Å; K349-N351 VanDerWaalsContact C-N 3.3Å; K349-N351 PolarHBondContact O-N 3.41Å
350	I	42.2	Very low	71.1	Confident	78 Å²	78	95.3 Å²	95.3	40%	0.4	50%	0.5	S	S	.	.			trans	-92.8	72.6	166.6	-47.3	-179.7	0	0	0	107.9	E287 K327 K352	E287-I350 VanDerWaalsContact OE1-CG2 3.26Å; E287-I350 WeakPolarHBondContact OE1-CG2 3.29Å; E287-I350 WeakPolarHBondContact OE2-CG2 3.43Å; K327-I350 HydrophobicContact CB-CD1 4.25Å; K327-I350 HydrophobicContact CD-CD1 4.29Å; K327-I350 HydrophobicContact CG-CD1 4.03Å; I350-K352 PolarHBondContact O-N 3.3Å
351	N	31.4	Very low	69.1	Low	149 Å²	149	100.8 Å²	100.8	80%	0.797	53%	0.529	S	S	*	.			trans	-77.3	114.8	166	-85.2	-17	0	0	0	107.3	K349	K349-N351 VanDerWaalsContact C-N 3.3Å; K349-N351 PolarHBondContact O-N 3.41Å
352	K	32.1	Very low	66.9	Low	267 Å²	267	108 Å²	108	100%	1.161	56%	0.557	S	S	*	*			trans	-52.5	0	167.9	-78.2	-175.7	173.4	-177.8	0	112.5	I350	I350-K352 PolarHBondContact O-N 3.3Å

Retrieved 352 of 352 residues in 849.7 ms (Link to these results)

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