A0A096NR43_PAPAN Loading...

Autophagy protein 5

Involved in autophagic vesicle formation. May play an important role in the apoptotic process, possibly within the modified cytoskeleton. Its expression is a relatively late event in the apoptotic process, occurring downstream of caspase activity. Plays a crucial role in IFN-gamma-induced autophagic cell death by interacting with FADD.

AlphaFold DB , UniProt , Accession A0A096NR43, Species PAPAN (Papio anubis, Olive baboon), Gene ATG5, Length 275 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.4	Low	88.6	Confident	208 Å²	208	88.3 Å²	88.3	100%	1.025	45%	0.453	S	S	*	.				0	-34.4	0	-80.6	-165.2	-148.5	0	0	112.9
2	T	63.7	Low	89.5	Confident	100 Å²	100	81.3 Å²	81.3	61%	0.613	42%	0.417	S	S	*	.	H	α-helix	trans	-71.1	-40.3	167.4	36.5	0	0	0	0	111.7	D4 K5 D6	T2-D4 PolarHBondContact O-N 2.97Å; T2-K5 WeakPolarHBondContact O-CB 3.36Å; T2-K5 PolarHBondContact O-N 2.84Å; T2-D6 PolarHBondContact O-N 3.3Å; T2-D6 VanDerWaalsContact O-N 3.15Å
3	D	83.7	Confident	90.2	Very high	115 Å²	115	80.8 Å²	80.8	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-70.1	-41.2	-166.9	-46	-9.2	0	0	0	112.5	K5 D6 V7	D3-K5 VanDerWaalsContact C-N 3.3Å; D3-K5 PolarHBondContact O-N 2.85Å; D3-D6 WeakPolarHBondContact O-CB 3.49Å; D3-D6 PolarHBondContact O-N 3.44Å; D3-V7 PolarHBondContact O-N 2.8Å; D3-V7 VanDerWaalsContact O-N 3.17Å
4	D	92.7	Very high	90.8	Very high	61 Å²	61	76.3 Å²	76.3	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-34.7	175.2	-59.9	-56.1	0	0	0	112.4	T2 D6 V7 L8 W253	T2-D4 PolarHBondContact O-N 2.97Å; D4-D6 VanDerWaalsContact C-N 3.29Å; D4-D6 PolarHBondContact O-N 2.78Å; D4-V7 WeakPolarHBondContact O-CB 3.28Å; D4-V7 PolarHBondContact O-N 3.28Å; D4-L8 WeakPolarHBondContact O-CG 3.43Å; D4-L8 PolarHBondContact O-N 3.28Å; D4-L8 VanDerWaalsContact O-N 3.11Å; D4-W253 PolarHBondContact OD1-NE1 3.48Å
5	K	93.8	Very high	91.3	Very high	109 Å²	109	76.1 Å²	76.1	47%	0.474	39%	0.386	S	S	.	.	H	α-helix	trans	-68.2	-33.6	177.1	-171.6	179.9	178.9	-176.1	0	110.9	T2 D3 L8 R9	T2-K5 WeakPolarHBondContact O-CB 3.36Å; T2-K5 PolarHBondContact O-N 2.84Å; D3-K5 VanDerWaalsContact C-N 3.3Å; D3-K5 PolarHBondContact O-N 2.85Å; K5-L8 PolarHBondContact O-N 3.47Å; K5-R9 WeakPolarHBondContact O-CG 3.48Å; K5-R9 PolarHBondContact O-N 2.82Å; K5-R9 VanDerWaalsContact O-N 3.13Å
6	D	97.6	Very high	91.8	Very high	86 Å²	86	71.4 Å²	71.4	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.1	-65.3	-29.6	0	0	0	110.5	T2 D3 D4 L8 R9 D10	T2-D6 PolarHBondContact O-N 3.3Å; T2-D6 VanDerWaalsContact O-N 3.15Å; D3-D6 WeakPolarHBondContact O-CB 3.49Å; D3-D6 PolarHBondContact O-N 3.44Å; D4-D6 VanDerWaalsContact C-N 3.29Å; D4-D6 PolarHBondContact O-N 2.78Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.31Å; D6-R9 WeakPolarHBondContact O-CB 3.4Å; D6-R9 PolarHBondContact O-N 3.16Å; D6-D10 PolarHBondContact O-N 2.92Å
7	V	98.2	Very high	92.2	Very high	41 Å²	41	70.1 Å²	70.1	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-47	171.6	177.3	0	0	0	0	111.6	D3 D4 R9 D10 V11 W253 H257 L258	D3-V7 PolarHBondContact O-N 2.8Å; D3-V7 VanDerWaalsContact O-N 3.17Å; D4-V7 WeakPolarHBondContact O-CB 3.28Å; D4-V7 PolarHBondContact O-N 3.28Å; V7-R9 PolarHBondContact O-N 3.47Å; V7-D10 PolarHBondContact O-N 3.36Å; V7-V11 HydrophobicContact CG1-CG2 4.45Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.48Å; V7-W253 HydrophobicContact CG1-CH2 4.13Å; V7-W253 HydrophobicContact CG1-CZ2 4.39Å; V7-W253 HydrophobicContact CG2-CZ2 4.36Å; V7-H257 HydrophobicContact CG1-CB 4.18Å; V7-L258 HydrophobicContact CG1-CD1 3.8Å
8	L	98.4	Very high	92.6	Very high	25 Å²	25	66.3 Å²	66.3	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-37.7	177.2	-64.9	-178.6	0	0	0	112.5	D4 K5 D6 W12 F162 W166 H257	D4-L8 WeakPolarHBondContact O-CG 3.43Å; D4-L8 PolarHBondContact O-N 3.28Å; D4-L8 VanDerWaalsContact O-N 3.11Å; K5-L8 PolarHBondContact O-N 3.47Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.31Å; L8-W12 VanDerWaalsContact O-CB 3.28Å; L8-W12 WeakPolarHBondContact O-CB 3.34Å; L8-W12 PolarHBondContact O-N 3.33Å; L8-F162 HydrophobicContact CB-CE2 3.93Å; L8-F162 HydrophobicContact CB-CZ 4.01Å; L8-W166 HydrophobicContact CB-CZ2 4.46Å; L8-W166 HydrophobicContact CD1-CD2 4.27Å; L8-W166 HydrophobicContact CD1-CE3 4.23Å; L8-W166 HydrophobicContact CD1-CH2 4.09Å; L8-W166 HydrophobicContact CD1-CZ2 4.15Å; L8-W166 HydrophobicContact CD1-CZ3 4.13Å; L8-W166 HydrophobicContact CD2-CH2 3.61Å; L8-W166 HydrophobicContact CD2-CZ2 3.57Å; L8-W166 HydrophobicContact CD2-CZ3 4.42Å; L8-W166 HydrophobicContact CG-CH2 4.44Å; L8-W166 HydrophobicContact CG-CZ2 4.28Å; L8-H257 HydrophobicContact CD2-CB 4.18Å
9	R	98.3	Very high	92.9	Very high	84 Å²	84	63.1 Å²	63.1	32%	0.317	32%	0.324	S	S	.	.	H	α-helix	trans	-71.8	-42.4	178.7	-69.8	-177.5	70.6	77.9	1.7	111	K5 D6 V7 V11 W12 F13 F162	K5-R9 WeakPolarHBondContact O-CG 3.48Å; K5-R9 PolarHBondContact O-N 2.82Å; K5-R9 VanDerWaalsContact O-N 3.13Å; D6-R9 WeakPolarHBondContact O-CB 3.4Å; D6-R9 PolarHBondContact O-N 3.16Å; V7-R9 PolarHBondContact O-N 3.47Å; R9-V11 VanDerWaalsContact C-N 3.35Å; R9-W12 PolarHBondContact O-N 3.34Å; R9-F13 HydrophobicContact CB-CD2 4.24Å; R9-F13 HydrophobicContact CB-CE2 4.45Å; R9-F13 WeakPolarHBondContact O-CB 3.42Å; R9-F13 WeakPolarHBondContact O-CD2 3.34Å; R9-F13 PolarHBondContact O-N 2.85Å; R9-F162 HydrophobicContact CB-CE2 4.46Å; R9-F162 HydrophobicContact CG-CD1 4.27Å; R9-F162 HydrophobicContact CG-CD2 4.26Å; R9-F162 HydrophobicContact CG-CE1 3.8Å; R9-F162 HydrophobicContact CG-CE2 3.76Å; R9-F162 HydrophobicContact CG-CZ 3.52Å; R9-F162 VanDerWaalsContact NH1-CD1 3.32Å
10	D	98.6	Very high	93.2	Very high	121 Å²	121	59.9 Å²	59.9	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-63.2	-43	178.4	-71.7	-15.4	0	0	0	111.3	D6 V7 G14	D6-D10 PolarHBondContact O-N 2.92Å; V7-D10 PolarHBondContact O-N 3.36Å; D10-G14 PolarHBondContact O-N 2.85Å
11	V	98.6	Very high	93.5	Very high	21 Å²	21	59.8 Å²	59.8	13%	0.127	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-50.2	172	168.7	0	0	0	0	110.9	V7 R9 G14 V42 H241 L258	V7-V11 HydrophobicContact CG1-CG2 4.45Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.48Å; R9-V11 VanDerWaalsContact C-N 3.35Å; V11-G14 PolarHBondContact O-N 3.37Å; V11-V42 HydrophobicContact CG1-CG1 4.3Å; V11-V42 VanDerWaalsContact O-CG1 3.29Å; V11-V42 WeakPolarHBondContact O-CG1 3.1Å; V11-H241 WeakPolarHBondContact CG1-NE2 3.18Å; V11-L258 HydrophobicContact CG2-CG 4.28Å
12	W	98.8	Very high	95.7	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-45.1	-178.3	-177.4	-82.4	0	0	0	113.2	L8 R9 G14 R15 V42 G156 D160 F162 F165 P261	L8-W12 VanDerWaalsContact O-CB 3.28Å; L8-W12 WeakPolarHBondContact O-CB 3.34Å; L8-W12 PolarHBondContact O-N 3.33Å; R9-W12 PolarHBondContact O-N 3.34Å; W12-G14 VanDerWaalsContact C-N 3.32Å; W12-G14 PolarHBondContact O-N 3.4Å; W12-R15 PolarHBondContact O-NH1 3.5Å; W12-V42 WeakPolarHBondContact O-CG2 3.49Å; W12-G156 WeakPolarHBondContact CZ2-O 3.35Å; W12-D160 PolarHBondContact NE1-OD1 3.15Å; W12-F162 HydrophobicContact CB-CD2 3.71Å; W12-F162 HydrophobicContact CB-CE2 4.24Å; W12-F162 HydrophobicContact CD2-CB 4.29Å; W12-F162 AromaticContact CD2-CD2 3.98Å; W12-F162 HydrophobicContact CD2-CD2 3.98Å; W12-F162 HydrophobicContact CE3-CD2 4.43Å; W12-F162 HydrophobicContact CG-CB 4.18Å; W12-F162 AromaticContact CG-CD2 3.63Å; W12-F162 HydrophobicContact CG-CD2 3.63Å; W12-F162 HydrophobicContact CG-CG 4.4Å; W12-F165 HydrophobicContact CE3-CD1 4.15Å; W12-F165 HydrophobicContact CH2-CB 3.53Å; W12-F165 AromaticContact CH2-CD1 4Å; W12-F165 HydrophobicContact CH2-CD1 4Å; W12-F165 HydrophobicContact CH2-CD2 4.07Å; W12-F165 AromaticContact CH2-CG 3.59Å; W12-F165 HydrophobicContact CH2-CG 3.59Å; W12-F165 HydrophobicContact CZ2-CB 4.37Å; W12-F165 HydrophobicContact CZ3-CB 3.8Å; W12-F165 AromaticContact CZ3-CD1 3.35Å; W12-F165 HydrophobicContact CZ3-CD1 3.35Å; W12-F165 HydrophobicContact CZ3-CD2 4.08Å; W12-F165 AromaticContact CZ3-CE1 3.91Å; W12-F165 HydrophobicContact CZ3-CE1 3.91Å; W12-F165 AromaticContact CZ3-CG 3.45Å; W12-F165 HydrophobicContact CZ3-CG 3.45Å; W12-F165 VanDerWaalsContact CZ3-CG 3.45Å; W12-P261 HydrophobicContact CE3-CG 4.31Å; W12-P261 HydrophobicContact CZ3-CB 4.37Å; W12-P261 HydrophobicContact CZ3-CG 3.9Å
13	F	98.8	Very high	97.3	Very high	75 Å²	75	50 Å²	50	33%	0.329	25%	0.252	S	S	.	.	H	α-helix	trans	-88.5	4.1	-175.7	-66.4	-65	0	0	0	113.7	R9 R15 F162	R9-F13 HydrophobicContact CB-CD2 4.24Å; R9-F13 HydrophobicContact CB-CE2 4.45Å; R9-F13 WeakPolarHBondContact O-CB 3.42Å; R9-F13 WeakPolarHBondContact O-CD2 3.34Å; R9-F13 PolarHBondContact O-N 2.85Å; F13-R15 WeakPolarHBondContact O-CG 3.4Å; F13-R15 PolarHBondContact O-N 2.91Å; F13-R15 PolarHBondContact O-NH1 2.86Å; F13-F162 HydrophobicContact CE2-CB 4.07Å; F13-F162 HydrophobicContact CE2-CG 4.36Å; F13-F162 HydrophobicContact CZ-CB 3.81Å
14	G	98.7	Very high	97.7	Very high	17 Å²	17	53.3 Å²	53.3	18%	0.175	26%	0.264	C	S	.	.			trans	-51.6	130.5	172.4	0	0	0	0	0	112.4	D10 V11 W12 R41	D10-G14 PolarHBondContact O-N 2.85Å; V11-G14 PolarHBondContact O-N 3.37Å; W12-G14 VanDerWaalsContact C-N 3.32Å; W12-G14 PolarHBondContact O-N 3.4Å; G14-R41 PolarHBondContact O-N 2.88Å
15	R	98.8	Very high	97.7	Very high	74 Å²	74	56 Å²	56	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.7	179.6	-63.7	-61.7	173.1	-95.3	4.7	111.6	W12 F13 L38 L39 D160	W12-R15 PolarHBondContact O-NH1 3.5Å; F13-R15 WeakPolarHBondContact O-CG 3.4Å; F13-R15 PolarHBondContact O-N 2.91Å; F13-R15 PolarHBondContact O-NH1 2.86Å; R15-L38 HydrophobicContact CB-CB 4.21Å; R15-L38 HydrophobicContact CB-CD2 4.49Å; R15-L38 HydrophobicContact CG-CB 4.28Å; R15-L39 CarbonylContact C-O 3.6Å; R15-L39 VanDerWaalsContact CA-O 3.25Å; R15-L39 WeakPolarHBondContact CA-O 3.45Å; R15-D160 IonicContact CZ-OD2 3.97Å; R15-D160 IonicContact NH2-OD1 3.94Å; R15-D160 PolarHBondContact NH2-OD1 2.96Å; R15-D160 IonicContact NH2-OD2 3.71Å; R15-D160 PolarHBondContact NH2-OD2 3.07Å
16	I	98.8	Very high	97.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.2	170.7	-65.2	154.9	0	0	0	107.9	T18 L38 L39 R41 I83 F87 W98	I16-T18 PolarHBondContact O-N 2.9Å; I16-T18 PolarHBondContact O-OG1 3.17Å; I16-L38 CarbonylContact O-C 3.55Å; I16-L38 WeakPolarHBondContact O-CA 3.36Å; I16-L39 PolarHBondContact N-O 2.78Å; I16-L39 PolarHBondContact O-N 3.15Å; I16-R41 HydrophobicContact CD1-CG 3.67Å; I16-R41 HydrophobicContact CG1-CG 3.82Å; I16-I83 HydrophobicContact CD1-CG2 3.93Å; I16-F87 HydrophobicContact CD1-CB 3.43Å; I16-F87 VanDerWaalsContact CD1-CB 3.43Å; I16-F87 HydrophobicContact CD1-CD1 3.91Å; I16-F87 HydrophobicContact CD1-CD2 4.49Å; I16-F87 HydrophobicContact CD1-CG 3.68Å; I16-F87 HydrophobicContact CG1-CB 4.38Å; I16-F87 HydrophobicContact CG1-CD1 4.06Å; I16-F87 HydrophobicContact CG1-CG 4.1Å; I16-F87 HydrophobicContact CG2-CD1 4.48Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.03Å; I16-F87 HydrophobicContact CG2-CG 4.02Å; I16-F87 HydrophobicContact CG2-CZ 4.49Å; I16-W98 HydrophobicContact CG2-CB 3.95Å; I16-W98 HydrophobicContact CG2-CE3 4Å
17	P	98.8	Very high	97.2	Very high	48 Å²	48	50.8 Å²	50.8	31%	0.312	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.1	171.2	28.9	-30.3	0	0	0	109.4	L38 L96 P97 W98	P17-L38 HydrophobicContact CB-CD2 4Å; P17-L96 HydrophobicContact CG-CB 4.28Å; P17-L96 HydrophobicContact CG-CD1 3.85Å; P17-L96 HydrophobicContact CG-CD2 4.01Å; P17-L96 HydrophobicContact CG-CG 4.28Å; P17-P97 HydrophobicContact CB-CB 4.36Å; P17-P97 CarbonylContact O-C 3.58Å; P17-P97 WeakPolarHBondContact O-CA 3.22Å; P17-P97 WeakPolarHBondContact O-CB 3.13Å; P17-W98 PolarHBondContact O-N 3.37Å
18	T	98.9	Very high	97	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.5	-172.9	-55.6	0	0	0	0	110.5	I16 F20 Y36 L37 L39 W98 I100	I16-T18 PolarHBondContact O-N 2.9Å; I16-T18 PolarHBondContact O-OG1 3.17Å; T18-F20 HydrophobicContact CG2-CD2 3.92Å; T18-F20 HydrophobicContact CG2-CE1 4.31Å; T18-F20 HydrophobicContact CG2-CE2 3.52Å; T18-F20 HydrophobicContact CG2-CG 4.47Å; T18-F20 HydrophobicContact CG2-CZ 3.77Å; T18-Y36 WeakPolarHBondContact O-CA 3.33Å; T18-L37 PolarHBondContact N-O 3.22Å; T18-L37 PolarHBondContact O-N 2.95Å; T18-L39 HydrophobicContact CG2-CD1 3.89Å; T18-L39 HydrophobicContact CG2-CG 4.42Å; T18-L39 VanDerWaalsContact OG1-CD1 3.32Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.31Å; T18-L39 WeakPolarHBondContact OG1-CG 3.28Å; T18-W98 CarbonylContact C-O 3.49Å; T18-W98 VanDerWaalsContact CA-O 3.31Å; T18-W98 WeakPolarHBondContact CA-O 3.41Å; T18-W98 HydrophobicContact CG2-CB 4.44Å; T18-W98 HydrophobicContact CG2-CE3 4.47Å; T18-W98 VanDerWaalsContact CG2-O 3.28Å; T18-W98 WeakPolarHBondContact CG2-O 3.33Å; T18-I100 HydrophobicContact CG2-CB 4.29Å; T18-I100 HydrophobicContact CG2-CD1 3.63Å; T18-I100 HydrophobicContact CG2-CG1 3.85Å
19	C	98.8	Very high	96.7	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.034	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.7	169.7	-178.1	0	0	0	0	108.2	Y36 P97 W98 I100	C19-Y36 HydrophobicContact CB-CD1 3.95Å; C19-Y36 HydrophobicContact CB-CE1 3.63Å; C19-P97 HydrophobicContact CB-CB 4.28Å; C19-P97 HydrophobicContact CB-CG 3.86Å; C19-W98 PolarHBondContact N-O 2.96Å; C19-I100 PolarHBondContact O-N 3.06Å
20	F	98.9	Very high	96.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.4	172.1	-67.3	-89.7	0	0	0	109.8	T18 P34 Y35 L37 L39 T49 V52 F56 F70 I100 V102	T18-F20 HydrophobicContact CG2-CD2 3.92Å; T18-F20 HydrophobicContact CG2-CE1 4.31Å; T18-F20 HydrophobicContact CG2-CE2 3.52Å; T18-F20 HydrophobicContact CG2-CG 4.47Å; T18-F20 HydrophobicContact CG2-CZ 3.77Å; F20-P34 CarbonylContact O-C 3.56Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.39Å; F20-Y35 WeakPolarHBondContact CB-O 3.45Å; F20-Y35 WeakPolarHBondContact CD2-O 3.47Å; F20-Y35 PolarHBondContact N-O 3Å; F20-Y35 PolarHBondContact O-N 2.99Å; F20-L37 HydrophobicContact CE2-CB 4.15Å; F20-L37 HydrophobicContact CE2-CD2 4.48Å; F20-L39 HydrophobicContact CE2-CD1 4.36Å; F20-L39 HydrophobicContact CE2-CD2 4.18Å; F20-L39 HydrophobicContact CE2-CG 4.39Å; F20-L39 HydrophobicContact CZ-CD1 3.91Å; F20-L39 HydrophobicContact CZ-CD2 4.05Å; F20-L39 HydrophobicContact CZ-CG 4.33Å; F20-T49 HydrophobicContact CE1-CG2 4.17Å; F20-T49 HydrophobicContact CZ-CG2 3.77Å; F20-V52 HydrophobicContact CB-CG1 3.9Å; F20-V52 HydrophobicContact CD1-CG1 3.84Å; F20-V52 HydrophobicContact CD2-CG1 4.16Å; F20-V52 HydrophobicContact CD2-CG2 3.8Å; F20-V52 HydrophobicContact CE1-CG1 4.36Å; F20-V52 HydrophobicContact CE2-CG2 3.82Å; F20-V52 HydrophobicContact CG-CG1 3.71Å; F20-V52 HydrophobicContact CG-CG2 4.21Å; F20-V52 HydrophobicContact CZ-CG2 4.22Å; F20-F56 HydrophobicContact CB-CE2 3.93Å; F20-F56 HydrophobicContact CB-CZ 4.26Å; F20-F56 WeakPolarHBondContact O-CZ 3.47Å; F20-F70 HydrophobicContact CD1-CD1 4.15Å; F20-F70 HydrophobicContact CD1-CE1 4.09Å; F20-F70 AromaticContact CE1-CD1 3.9Å; F20-F70 HydrophobicContact CE1-CD1 3.9Å; F20-F70 AromaticContact CE1-CE1 3.81Å; F20-F70 HydrophobicContact CE1-CE1 3.81Å; F20-I100 WeakPolarHBondContact CA-O 3.48Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.77Å; F20-I100 HydrophobicContact CE1-CB 4.01Å; F20-I100 HydrophobicContact CE1-CD1 3.94Å; F20-I100 HydrophobicContact CE1-CG2 3.8Å; F20-I100 HydrophobicContact CZ-CD1 4.23Å; F20-V102 HydrophobicContact CB-CG2 3.91Å; F20-V102 HydrophobicContact CD1-CG2 3.72Å; F20-V102 HydrophobicContact CG-CG2 4.29Å
21	T	98.6	Very high	96.2	Very high	58 Å²	58	62.7 Å²	62.7	36%	0.356	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.9	176	-59.2	0	0	0	0	109.3	I100 T101 V102	T21-I100 PolarHBondContact N-O 3.36Å; T21-T101 CarbonylContact O-C 3.56Å; T21-T101 VanDerWaalsContact O-CA 3.31Å; T21-T101 WeakPolarHBondContact O-CA 3.23Å; T21-V102 PolarHBondContact O-N 3.43Å
22	L	98.2	Very high	96.1	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.1	174.9	-170	64.4	0	0	0	110.1	E26 T28 A32 F56 V59 V102 F104	L22-E26 HydrophobicContact CD1-CB 4.35Å; L22-E26 HydrophobicContact CD1-CG 4.21Å; L22-E26 HydrophobicContact CD2-CB 4.22Å; L22-E26 HydrophobicContact CG-CB 4.07Å; L22-E26 HydrophobicContact CG-CG 4.35Å; L22-T28 HydrophobicContact CD2-CG2 3.37Å; L22-A32 HydrophobicContact CB-CB 4Å; L22-A32 HydrophobicContact CD2-CB 3.76Å; L22-F56 HydrophobicContact CB-CD1 3.76Å; L22-F56 HydrophobicContact CB-CE1 3.79Å; L22-F56 HydrophobicContact CB-CG 4.5Å; L22-F56 HydrophobicContact CD1-CB 4.19Å; L22-F56 HydrophobicContact CD1-CD1 4.2Å; L22-F56 HydrophobicContact CD1-CG 4.19Å; L22-F56 HydrophobicContact CD2-CD1 4.29Å; L22-F56 HydrophobicContact CG-CD1 4.32Å; L22-V59 HydrophobicContact CD2-CG2 4.18Å; L22-V102 HydrophobicContact CD1-CB 4.39Å; L22-V102 HydrophobicContact CD1-CG1 4.36Å; L22-F104 HydrophobicContact CD1-CD2 4.04Å; L22-F104 HydrophobicContact CD1-CE2 3.91Å
23	Y	97.6	Very high	96	Very high	89 Å²	89	69.6 Å²	69.6	35%	0.349	34%	0.338	S	S	.	.			trans	-57.9	140.2	177	-177.2	-116.5	0	0	0	111.7	D25 E26 T101 V102 H103	Y23-D25 VanDerWaalsContact C-N 3.32Å; Y23-D25 HydrophobicContact CD1-CB 4.05Å; Y23-D25 HydrophobicContact CE1-CB 3.54Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.31Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.25Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D25 PolarHBondContact O-N 3.12Å; Y23-D25 PolarHBondContact OH-OD2 3.11Å; Y23-E26 HydrophobicContact CD1-CG 4.38Å; Y23-E26 WeakPolarHBondContact O-CB 3.32Å; Y23-E26 PolarHBondContact O-N 3.16Å; Y23-E26 VanDerWaalsContact O-N 3.15Å; Y23-T101 HydrophobicContact CD2-CG2 3.94Å; Y23-T101 HydrophobicContact CG-CG2 4.33Å; Y23-V102 WeakPolarHBondContact CB-O 3.25Å; Y23-V102 PolarHBondContact N-O 3.11Å; Y23-H103 VanDerWaalsContact CB-CE1 3.47Å; Y23-H103 WeakPolarHBondContact CB-CE1 3.46Å; Y23-H103 AromaticContact CD1-CE1 3.65Å; Y23-H103 AromaticContact CD1-ND1 3.72Å; Y23-H103 AromaticContact CD2-CE1 3.25Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.39Å; Y23-H103 AromaticContact CD2-NE2 3.77Å; Y23-H103 AromaticContact CE2-CE1 3.84Å; Y23-H103 AromaticContact CG-CE1 3.15Å; Y23-H103 AromaticContact CG-ND1 3.52Å; Y23-H103 AromaticContact CG-NE2 3.88Å
24	Q	92.4	Very high	96	Very high	184 Å²	184	69 Å²	69	86%	0.86	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.3	-167.8	-65.5	179.4	-0.1	0	0	113.4	E26	Q24-E26 VanDerWaalsContact C-N 3.31Å
25	D	92.3	Very high	96	Very high	117 Å²	117	70.9 Å²	70.9	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	6.7	179.4	-49.2	-43.1	0	0	0	113	Y23	Y23-D25 VanDerWaalsContact C-N 3.32Å; Y23-D25 HydrophobicContact CD1-CB 4.05Å; Y23-D25 HydrophobicContact CE1-CB 3.54Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.31Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.25Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D25 PolarHBondContact O-N 3.12Å; Y23-D25 PolarHBondContact OH-OD2 3.11Å
26	E	91.3	Very high	96	Very high	12 Å²	12	74.8 Å²	74.8	6%	0.056	36%	0.36	C	S	.	.	S	Bend	trans	-69.4	132.7	173.1	-75.6	-72.1	-172.8	0	0	111.1	L22 Y23 Q24 T28 F104 K105	L22-E26 HydrophobicContact CD1-CB 4.35Å; L22-E26 HydrophobicContact CD1-CG 4.21Å; L22-E26 HydrophobicContact CD2-CB 4.22Å; L22-E26 HydrophobicContact CG-CB 4.07Å; L22-E26 HydrophobicContact CG-CG 4.35Å; Y23-E26 HydrophobicContact CD1-CG 4.38Å; Y23-E26 WeakPolarHBondContact O-CB 3.32Å; Y23-E26 PolarHBondContact O-N 3.16Å; Y23-E26 VanDerWaalsContact O-N 3.15Å; Q24-E26 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 3.45Å; E26-T28 VanDerWaalsContact O-N 3.17Å; E26-F104 PolarHBondContact OE1-N 2.7Å; E26-K105 PolarHBondContact OE1-N 3.44Å
27	I	89.7	Confident	96	Very high	74 Å²	74	76.9 Å²	76.9	38%	0.379	37%	0.371	S	S	.	.			trans	-74.9	111.4	-178.9	-57.2	-176	0	0	0	108.7	R61	I27-R61 VanDerWaalsContact CG2-NH2 3.3Å
28	T	93.4	Very high	96	Very high	53 Å²	53	79.9 Å²	79.9	33%	0.325	38%	0.383	S	S	.	.			trans	-120.8	151.3	-179.6	55.4	0	0	0	0	112.2	L22 E26 R30 V59	L22-T28 HydrophobicContact CD2-CG2 3.37Å; E26-T28 PolarHBondContact O-N 3.45Å; E26-T28 VanDerWaalsContact O-N 3.17Å; T28-R30 VanDerWaalsContact C-N 3.31Å; T28-R30 WeakPolarHBondContact CB-O 3.46Å; T28-R30 PolarHBondContact OG1-O 2.98Å; T28-V59 CarbonylContact C-O 3.53Å; T28-V59 VanDerWaalsContact CA-O 3.26Å; T28-V59 WeakPolarHBondContact CA-O 3.37Å; T28-V59 WeakPolarHBondContact CB-O 3.48Å; T28-V59 HydrophobicContact CG2-CG2 3.91Å
29	E	93.2	Very high	96	Very high	133 Å²	133	79.8 Å²	79.8	62%	0.621	38%	0.383	S	S	*	.	S	Bend	trans	-75.8	-23.3	173	-61.3	-172.8	143.6	0	0	112.1	V59 R61	E29-V59 PolarHBondContact N-O 3.04Å; E29-R61 HydrophobicContact CG-CG 3.84Å; E29-R61 WeakPolarHBondContact OE1-CG 3.32Å
30	R	92.9	Very high	96	Very high	152 Å²	152	80.4 Å²	80.4	57%	0.574	39%	0.387	S	S	*	.	S	Bend	trans	-160.1	162.7	-179.8	60.7	-173.2	173.8	116.9	3.7	110.3	T28 A32 V59	T28-R30 VanDerWaalsContact C-N 3.31Å; T28-R30 WeakPolarHBondContact CB-O 3.46Å; T28-R30 PolarHBondContact OG1-O 2.98Å; R30-A32 PolarHBondContact O-N 3.16Å; R30-V59 HydrophobicContact CG-CB 4.12Å; R30-V59 HydrophobicContact CG-CG1 3.74Å
31	E	93	Very high	96	Very high	183 Å²	183	81.9 Å²	81.9	86%	0.855	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.7	135.6	176.7	-169.2	176	177	0	0	111.9
32	A	95.9	Very high	96	Very high	22 Å²	22	79.4 Å²	79.4	18%	0.182	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-98.3	117.3	-179.1	0	0	0	0	0	110.4	L22 R30 F56 V59	L22-A32 HydrophobicContact CB-CB 4Å; L22-A32 HydrophobicContact CD2-CB 3.76Å; R30-A32 PolarHBondContact O-N 3.16Å; A32-F56 HydrophobicContact CB-CD1 4.01Å; A32-F56 HydrophobicContact CB-CE1 4.1Å; A32-V59 HydrophobicContact CB-CG2 3.83Å
33	E	97.4	Very high	96	Very high	149 Å²	149	78.9 Å²	78.9	70%	0.696	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-68.5	142.1	173.9	-65.1	173.6	163.2	0	0	110.8	H55	E33-H55 PolarHBondContact O-NE2 2.89Å
34	P	98.3	Very high	96.1	Very high	63 Å²	63	74.9 Å²	74.9	41%	0.409	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-58.5	148.2	172.1	-23.3	33.3	0	0	0	112.5	F20 Y36	F20-P34 CarbonylContact O-C 3.56Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.39Å; P34-Y36 HydrophobicContact CB-CE2 4.16Å
35	Y	98.7	Very high	96.4	Very high	56 Å²	56	66.1 Å²	66.1	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.9	179.6	-164.9	-83.6	0	0	0	111	F20 L37 K51 V52 H55	F20-Y35 WeakPolarHBondContact CB-O 3.45Å; F20-Y35 WeakPolarHBondContact CD2-O 3.47Å; F20-Y35 PolarHBondContact N-O 3Å; F20-Y35 PolarHBondContact O-N 2.99Å; Y35-L37 HydrophobicContact CD1-CB 4.35Å; Y35-L37 HydrophobicContact CE1-CB 4.23Å; Y35-K51 HydrophobicContact CE1-CB 4.43Å; Y35-K51 WeakPolarHBondContact OH-CB 3.36Å; Y35-V52 HydrophobicContact CD1-CG2 3.76Å; Y35-V52 HydrophobicContact CE1-CG2 4.08Å; Y35-H55 HydrophobicContact CD2-CB 3.68Å; Y35-H55 AromaticContact CD2-CD2 3.78Å; Y35-H55 AromaticContact CD2-CG 3.47Å; Y35-H55 VanDerWaalsContact CD2-CG 3.47Å; Y35-H55 AromaticContact CD2-ND1 3.75Å; Y35-H55 HydrophobicContact CE2-CB 4.05Å; Y35-H55 HydrophobicContact CG-CB 4.45Å
36	Y	98.7	Very high	96.7	Very high	155 Å²	155	61.7 Å²	61.7	61%	0.608	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	134	179.5	-65.3	-91.9	0	0	0	111.4	T18 C19 P34 P97	T18-Y36 WeakPolarHBondContact O-CA 3.33Å; C19-Y36 HydrophobicContact CB-CD1 3.95Å; C19-Y36 HydrophobicContact CB-CE1 3.63Å; P34-Y36 HydrophobicContact CB-CE2 4.16Å; Y36-P97 HydrophobicContact CE1-CG 4.2Å
37	L	98.6	Very high	97	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144	-179.5	-171.7	60.8	0	0	0	111.2	T18 F20 Y35 L39 V52	T18-L37 PolarHBondContact N-O 3.22Å; T18-L37 PolarHBondContact O-N 2.95Å; F20-L37 HydrophobicContact CE2-CB 4.15Å; F20-L37 HydrophobicContact CE2-CD2 4.48Å; Y35-L37 HydrophobicContact CD1-CB 4.35Å; Y35-L37 HydrophobicContact CE1-CB 4.23Å; L37-L39 HydrophobicContact CD2-CD2 3.79Å; L37-L39 HydrophobicContact CG-CD2 4.21Å; L37-L39 PolarHBondContact O-N 3.41Å; L37-V52 HydrophobicContact CD2-CG2 4.03Å
38	L	98.8	Very high	97.4	Very high	111 Å²	111	60 Å²	60	58%	0.581	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	103.4	167.5	-68.4	177.5	0	0	0	108.9	R15 I16 P17	R15-L38 HydrophobicContact CB-CB 4.21Å; R15-L38 HydrophobicContact CB-CD2 4.49Å; R15-L38 HydrophobicContact CG-CB 4.28Å; I16-L38 CarbonylContact O-C 3.55Å; I16-L38 WeakPolarHBondContact O-CA 3.36Å; P17-L38 HydrophobicContact CB-CD2 4Å
39	L	98.8	Very high	97.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.5	-179.9	-68.1	-176.1	0	0	0	111.6	R15 I16 T18 F20 L37 R41 L45 V48 T49 I83 W98 I100	R15-L39 CarbonylContact C-O 3.6Å; R15-L39 VanDerWaalsContact CA-O 3.25Å; R15-L39 WeakPolarHBondContact CA-O 3.45Å; I16-L39 PolarHBondContact N-O 2.78Å; I16-L39 PolarHBondContact O-N 3.15Å; T18-L39 HydrophobicContact CG2-CD1 3.89Å; T18-L39 HydrophobicContact CG2-CG 4.42Å; T18-L39 VanDerWaalsContact OG1-CD1 3.32Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.31Å; T18-L39 WeakPolarHBondContact OG1-CG 3.28Å; F20-L39 HydrophobicContact CE2-CD1 4.36Å; F20-L39 HydrophobicContact CE2-CD2 4.18Å; F20-L39 HydrophobicContact CE2-CG 4.39Å; F20-L39 HydrophobicContact CZ-CD1 3.91Å; F20-L39 HydrophobicContact CZ-CD2 4.05Å; F20-L39 HydrophobicContact CZ-CG 4.33Å; L37-L39 HydrophobicContact CD2-CD2 3.79Å; L37-L39 HydrophobicContact CG-CD2 4.21Å; L37-L39 PolarHBondContact O-N 3.41Å; L39-R41 PolarHBondContact O-N 2.83Å; L39-L45 HydrophobicContact CD1-CD2 3.84Å; L39-V48 HydrophobicContact CD2-CG2 3.84Å; L39-T49 HydrophobicContact CD2-CG2 4.33Å; L39-I83 HydrophobicContact CB-CD1 4.33Å; L39-I83 HydrophobicContact CB-CG2 3.77Å; L39-I83 HydrophobicContact CD1-CG2 3.97Å; L39-W98 HydrophobicContact CD1-CE3 4.33Å; L39-W98 HydrophobicContact CD1-CZ3 4.2Å; L39-I100 HydrophobicContact CD1-CD1 4.34Å
40	P	98.8	Very high	97.9	Very high	18 Å²	18	55.4 Å²	55.4	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.6	172.7	27.7	-32.7	0	0	0	111.2	V42 S43 V48 I83	P40-V42 PolarHBondContact O-N 3.32Å; P40-S43 PolarHBondContact O-N 3.37Å; P40-V48 HydrophobicContact CG-CB 4.36Å; P40-V48 HydrophobicContact CG-CG1 3.8Å; P40-V48 HydrophobicContact CG-CG2 4.38Å; P40-I83 WeakPolarHBondContact O-CD1 3.48Å
41	R	98.9	Very high	98.1	Very high	31 Å²	31	54.9 Å²	54.9	12%	0.117	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.2	179.5	-78.5	-179.6	165.1	-85.1	2.6	112.1	G14 I16 L39 S43 I83 G84 D88 Y260	G14-R41 PolarHBondContact O-N 2.88Å; I16-R41 HydrophobicContact CD1-CG 3.67Å; I16-R41 HydrophobicContact CG1-CG 3.82Å; L39-R41 PolarHBondContact O-N 2.83Å; R41-S43 VanDerWaalsContact C-N 3.29Å; R41-S43 PolarHBondContact O-N 3Å; R41-I83 PolarHBondContact O-N 3.09Å; R41-G84 PolarHBondContact O-N 3.32Å; R41-D88 IonicContact CZ-OD1 3.83Å; R41-D88 IonicContact NH1-OD1 2.74Å; R41-D88 PolarHBondContact NH1-OD1 2.74Å; R41-D88 IonicContact NH1-OD2 3.64Å; R41-D88 PolarHBondContact NH1-OD2 3.06Å; R41-D88 IonicContact NH2-OD1 2.7Å; R41-D88 PolarHBondContact NH2-OD1 3.39Å; R41-Y260 WeakPolarHBondContact O-CE1 3.48Å
42	V	98.8	Very high	98.4	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.5	-171.8	-62.9	0	0	0	0	115.3	V11 W12 P40 P261	V11-V42 HydrophobicContact CG1-CG1 4.3Å; V11-V42 VanDerWaalsContact O-CG1 3.29Å; V11-V42 WeakPolarHBondContact O-CG1 3.1Å; W12-V42 WeakPolarHBondContact O-CG2 3.49Å; P40-V42 PolarHBondContact O-N 3.32Å; V42-P261 HydrophobicContact CB-CG 3.74Å; V42-P261 HydrophobicContact CG1-CG 4.43Å; V42-P261 HydrophobicContact CG2-CG 4.25Å
43	S	98.8	Very high	98.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.028	24%	0.235	C	C	.	.	S	Bend	trans	-110.1	-171.6	-176.2	-152.7	0	0	0	0	112.6	P40 R41 P82 I83	P40-S43 PolarHBondContact O-N 3.37Å; R41-S43 VanDerWaalsContact C-N 3.29Å; R41-S43 PolarHBondContact O-N 3Å; S43-P82 WeakPolarHBondContact O-CA 3.45Å; S43-I83 VanDerWaalsContact O-CG1 3.31Å; S43-I83 WeakPolarHBondContact O-CG1 3.25Å; S43-I83 PolarHBondContact O-N 2.82Å
44	Y	98.9	Very high	98.4	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.016	23%	0.231	C	C	.	.			trans	-114.1	143.4	-177.9	-57.1	-75	0	0	0	111.1	T46 L47 V48 W79 P82 I121 F125 L157	Y44-T46 PolarHBondContact O-N 2.73Å; Y44-L47 WeakPolarHBondContact O-CB 3.39Å; Y44-L47 PolarHBondContact O-N 3.02Å; Y44-V48 PolarHBondContact O-N 3.15Å; Y44-W79 WeakPolarHBondContact CB-O 3.42Å; Y44-W79 WeakPolarHBondContact CD1-O 3.17Å; Y44-P82 HydrophobicContact CE1-CG 4.35Å; Y44-I121 HydrophobicContact CD2-CG2 3.69Å; Y44-I121 HydrophobicContact CE2-CG2 4.32Å; Y44-I121 HydrophobicContact CG-CG2 4.21Å; Y44-F125 HydrophobicContact CE2-CB 4.32Å; Y44-F125 HydrophobicContact CE2-CD2 4.21Å; Y44-L157 HydrophobicContact CD2-CD2 4.44Å; Y44-L157 HydrophobicContact CE2-CD2 3.99Å
45	L	98.6	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-53.5	-49	-176	-76.4	170.7	0	0	0	112.5	L39 L47 V48 T49 F70 L77 I83 L86 I100	L39-L45 HydrophobicContact CD1-CD2 3.84Å; L45-L47 PolarHBondContact O-N 2.94Å; L45-V48 PolarHBondContact O-N 2.9Å; L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 WeakPolarHBondContact O-CG2 3.35Å; L45-T49 PolarHBondContact O-N 2.76Å; L45-T49 PolarHBondContact O-OG1 3.39Å; L45-F70 HydrophobicContact CB-CD2 4.12Å; L45-F70 HydrophobicContact CB-CE2 4.18Å; L45-F70 HydrophobicContact CD1-CB 4.39Å; L45-F70 HydrophobicContact CD1-CD2 4.14Å; L45-F70 HydrophobicContact CD1-CG 4.5Å; L45-L77 HydrophobicContact CD1-CB 3.75Å; L45-L77 HydrophobicContact CD1-CD1 3.99Å; L45-I83 HydrophobicContact CD2-CD1 4.4Å; L45-I83 HydrophobicContact CD2-CG1 4.01Å; L45-I83 HydrophobicContact CG-CG1 4Å; L45-L86 HydrophobicContact CD1-CD1 3.8Å; L45-L86 HydrophobicContact CG-CD1 4.36Å; L45-I100 HydrophobicContact CD2-CD1 4.19Å
46	T	98.2	Very high	98.4	Very high	25 Å²	25	44.5 Å²	44.5	15%	0.153	21%	0.21	C	C	.	.	H	α-helix	trans	-71.5	-9.9	-177.6	49.5	0	0	0	0	114	Y44 W79 C115 I121	Y44-T46 PolarHBondContact O-N 2.73Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.12Å; T46-C115 HydrophobicContact CG2-CB 4Å; T46-C115 PolarHBondContact OG1-SG 3.17Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.48Å
47	L	98.5	Very high	98.3	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-87.5	-30.7	176.5	-171.6	55	0	0	0	112.5	Y44 L45 K118 I121 W154 L157 Q158	Y44-L47 WeakPolarHBondContact O-CB 3.39Å; Y44-L47 PolarHBondContact O-N 3.02Å; L45-L47 PolarHBondContact O-N 2.94Å; L47-K118 HydrophobicContact CD1-CD 4.18Å; L47-K118 HydrophobicContact CD1-CG 4.49Å; L47-I121 HydrophobicContact CB-CD1 4.05Å; L47-I121 HydrophobicContact CD1-CD1 4.27Å; L47-I121 HydrophobicContact CD2-CG2 4.43Å; L47-W154 HydrophobicContact CD1-CH2 3.71Å; L47-W154 HydrophobicContact CD1-CZ2 4.04Å; L47-W154 HydrophobicContact CD2-CH2 3.76Å; L47-W154 HydrophobicContact CD2-CZ3 4.02Å; L47-W154 HydrophobicContact CG-CH2 4.4Å; L47-L157 HydrophobicContact CD2-CG 4.47Å; L47-Q158 HydrophobicContact CD1-CG 4.11Å
48	V	98.5	Very high	98.2	Very high	42 Å²	42	43.5 Å²	43.5	26%	0.255	21%	0.207	S	C	.	.	H	α-helix	trans	-115.1	-2.5	-167.2	-57	0	0	0	0	114.4	L39 P40 Y44 L45 I83	L39-V48 HydrophobicContact CD2-CG2 3.84Å; P40-V48 HydrophobicContact CG-CB 4.36Å; P40-V48 HydrophobicContact CG-CG1 3.8Å; P40-V48 HydrophobicContact CG-CG2 4.38Å; Y44-V48 PolarHBondContact O-N 3.15Å; L45-V48 PolarHBondContact O-N 2.9Å; V48-I83 HydrophobicContact CG2-CD1 3.62Å
49	T	98.3	Very high	98.1	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.031	18%	0.182	C	C	.	.			trans	-100.2	17.9	-176.1	54	0	0	0	0	114.3	F20 L39 L45 K51 V52 K53 F70	F20-T49 HydrophobicContact CE1-CG2 4.17Å; F20-T49 HydrophobicContact CZ-CG2 3.77Å; L39-T49 HydrophobicContact CD2-CG2 4.33Å; L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 WeakPolarHBondContact O-CG2 3.35Å; L45-T49 PolarHBondContact O-N 2.76Å; L45-T49 PolarHBondContact O-OG1 3.39Å; T49-K51 PolarHBondContact O-N 3.17Å; T49-K51 VanDerWaalsContact O-N 3.16Å; T49-V52 HydrophobicContact CG2-CG2 4.18Å; T49-V52 WeakPolarHBondContact O-CA 3.44Å; T49-V52 WeakPolarHBondContact O-CB 3.41Å; T49-V52 PolarHBondContact O-N 3.18Å; T49-K53 PolarHBondContact O-N 3.48Å; T49-F70 HydrophobicContact CG2-CZ 4.03Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.49Å
50	D	97.6	Very high	97.8	Very high	84 Å²	84	39 Å²	39	45%	0.449	18%	0.184	S	C	.	.	H	α-helix	trans	-52.5	-40.1	176.9	-75.7	-21.1	0	0	0	112.6	K54 K118	D50-K54 WeakPolarHBondContact O-CB 3.38Å; D50-K54 PolarHBondContact O-N 2.94Å; D50-K118 IonicContact OD1-NZ 3.58Å; D50-K118 IonicContact OD2-NZ 3.55Å; D50-K118 PolarHBondContact OD2-NZ 3.11Å
51	K	98.1	Very high	97.5	Very high	142 Å²	142	43.1 Å²	43.1	62%	0.617	20%	0.197	S	C	*	.	H	α-helix	trans	-70	-36.6	177.7	-68.8	-177.2	-179.6	175.7	0	112.6	Y35 T49 H55	Y35-K51 HydrophobicContact CE1-CB 4.43Å; Y35-K51 WeakPolarHBondContact OH-CB 3.36Å; T49-K51 PolarHBondContact O-N 3.17Å; T49-K51 VanDerWaalsContact O-N 3.16Å; K51-H55 WeakPolarHBondContact O-CB 3.31Å; K51-H55 PolarHBondContact O-N 3.23Å
52	V	98.4	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-48.8	176.3	-177.6	0	0	0	0	109.5	F20 Y35 L37 T49 K54 H55 F56 V102	F20-V52 HydrophobicContact CB-CG1 3.9Å; F20-V52 HydrophobicContact CD1-CG1 3.84Å; F20-V52 HydrophobicContact CD2-CG1 4.16Å; F20-V52 HydrophobicContact CD2-CG2 3.8Å; F20-V52 HydrophobicContact CE1-CG1 4.36Å; F20-V52 HydrophobicContact CE2-CG2 3.82Å; F20-V52 HydrophobicContact CG-CG1 3.71Å; F20-V52 HydrophobicContact CG-CG2 4.21Å; F20-V52 HydrophobicContact CZ-CG2 4.22Å; Y35-V52 HydrophobicContact CD1-CG2 3.76Å; Y35-V52 HydrophobicContact CE1-CG2 4.08Å; L37-V52 HydrophobicContact CD2-CG2 4.03Å; T49-V52 HydrophobicContact CG2-CG2 4.18Å; T49-V52 WeakPolarHBondContact O-CA 3.44Å; T49-V52 WeakPolarHBondContact O-CB 3.41Å; T49-V52 PolarHBondContact O-N 3.18Å; V52-K54 PolarHBondContact O-N 3.5Å; V52-H55 WeakPolarHBondContact O-CB 3.38Å; V52-H55 PolarHBondContact O-N 3.29Å; V52-H55 VanDerWaalsContact O-N 3.11Å; V52-F56 HydrophobicContact CG1-CD2 3.8Å; V52-F56 HydrophobicContact CG1-CE2 3.6Å; V52-F56 WeakPolarHBondContact O-CD2 3.25Å; V52-F56 PolarHBondContact O-N 3.05Å; V52-F56 VanDerWaalsContact O-N 3.12Å; V52-V102 HydrophobicContact CG1-CG2 4.16Å
53	K	97.4	Very high	96.8	Very high	75 Å²	75	55.7 Å²	55.7	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-55.3	-51.3	174.8	-176.6	177	-177.1	171.4	0	111.3	T49 H55 F56 Q57 I68	T49-K53 PolarHBondContact O-N 3.48Å; K53-H55 VanDerWaalsContact C-N 3.26Å; K53-H55 PolarHBondContact O-N 3.31Å; K53-F56 PolarHBondContact O-N 3.37Å; K53-Q57 HydrophobicContact CG-CG 4.34Å; K53-Q57 WeakPolarHBondContact O-CB 3.45Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.13Å; K53-I68 HydrophobicContact CB-CD1 3.94Å; K53-I68 HydrophobicContact CD-CG2 4.06Å; K53-I68 HydrophobicContact CG-CD1 4.23Å; K53-I68 HydrophobicContact CG-CG2 4.4Å
54	K	97.8	Very high	96.4	Very high	140 Å²	140	56.6 Å²	56.6	61%	0.609	26%	0.262	S	S	*	.	H	α-helix	trans	-62.9	-30.7	178.3	-175.2	174.8	-178.6	176.8	0	112.9	D50 V52 K58	D50-K54 WeakPolarHBondContact O-CB 3.38Å; D50-K54 PolarHBondContact O-N 2.94Å; V52-K54 PolarHBondContact O-N 3.5Å; K54-K58 WeakPolarHBondContact O-CG 3.41Å
55	H	98.3	Very high	96	Very high	39 Å²	39	58.5 Å²	58.5	18%	0.181	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-54.8	177.8	176.9	76.4	0	0	0	111.1	E33 Y35 K51 V52 K53 K58	E33-H55 PolarHBondContact O-NE2 2.89Å; Y35-H55 HydrophobicContact CD2-CB 3.68Å; Y35-H55 AromaticContact CD2-CD2 3.78Å; Y35-H55 AromaticContact CD2-CG 3.47Å; Y35-H55 VanDerWaalsContact CD2-CG 3.47Å; Y35-H55 AromaticContact CD2-ND1 3.75Å; Y35-H55 HydrophobicContact CE2-CB 4.05Å; Y35-H55 HydrophobicContact CG-CB 4.45Å; K51-H55 WeakPolarHBondContact O-CB 3.31Å; K51-H55 PolarHBondContact O-N 3.23Å; V52-H55 WeakPolarHBondContact O-CB 3.38Å; V52-H55 PolarHBondContact O-N 3.29Å; V52-H55 VanDerWaalsContact O-N 3.11Å; K53-H55 VanDerWaalsContact C-N 3.26Å; K53-H55 PolarHBondContact O-N 3.31Å; H55-K58 WeakPolarHBondContact O-CB 3.31Å; H55-K58 PolarHBondContact O-N 3.24Å
56	F	98	Very high	95.7	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-72.7	-30.1	-177.4	-66.3	-60.9	0	0	0	113.7	F20 L22 A32 V52 K53 K58 V59 V102 F104	F20-F56 HydrophobicContact CB-CE2 3.93Å; F20-F56 HydrophobicContact CB-CZ 4.26Å; F20-F56 WeakPolarHBondContact O-CZ 3.47Å; L22-F56 HydrophobicContact CB-CD1 3.76Å; L22-F56 HydrophobicContact CB-CE1 3.79Å; L22-F56 HydrophobicContact CB-CG 4.5Å; L22-F56 HydrophobicContact CD1-CB 4.19Å; L22-F56 HydrophobicContact CD1-CD1 4.2Å; L22-F56 HydrophobicContact CD1-CG 4.19Å; L22-F56 HydrophobicContact CD2-CD1 4.29Å; L22-F56 HydrophobicContact CG-CD1 4.32Å; A32-F56 HydrophobicContact CB-CD1 4.01Å; A32-F56 HydrophobicContact CB-CE1 4.1Å; V52-F56 HydrophobicContact CG1-CD2 3.8Å; V52-F56 HydrophobicContact CG1-CE2 3.6Å; V52-F56 WeakPolarHBondContact O-CD2 3.25Å; V52-F56 PolarHBondContact O-N 3.05Å; V52-F56 VanDerWaalsContact O-N 3.12Å; K53-F56 PolarHBondContact O-N 3.37Å; F56-K58 PolarHBondContact O-N 2.87Å; F56-K58 VanDerWaalsContact O-N 3.11Å; F56-V59 WeakPolarHBondContact O-CG2 3.47Å; F56-V59 PolarHBondContact O-N 3.37Å; F56-V59 VanDerWaalsContact O-N 3.16Å; F56-V102 HydrophobicContact CD2-CB 4.18Å; F56-V102 HydrophobicContact CD2-CG1 4.01Å; F56-V102 HydrophobicContact CD2-CG2 4.02Å; F56-V102 HydrophobicContact CE2-CB 4.21Å; F56-V102 HydrophobicContact CE2-CG2 3.68Å; F56-F104 HydrophobicContact CB-CE2 3.85Å; F56-F104 HydrophobicContact CB-CZ 4.09Å
57	Q	96.4	Very high	95.5	Very high	57 Å²	57	62.5 Å²	62.5	27%	0.266	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.1	173.6	-76	178.9	-26.9	0	0	113.7	K53 V59 M60 I65 F104	K53-Q57 HydrophobicContact CG-CG 4.34Å; K53-Q57 WeakPolarHBondContact O-CB 3.45Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.13Å; Q57-V59 PolarHBondContact O-N 3.06Å; Q57-M60 PolarHBondContact O-N 2.83Å; Q57-I65 HydrophobicContact CB-CD1 4.08Å; Q57-I65 HydrophobicContact CG-CD1 4.04Å; Q57-I65 HydrophobicContact CG-CG1 4.33Å; Q57-I65 HydrophobicContact CG-CG2 4.08Å; Q57-F104 HydrophobicContact CG-CE1 4.03Å; Q57-F104 HydrophobicContact CG-CZ 4.11Å
58	K	96.4	Very high	95.5	Very high	121 Å²	121	62.9 Å²	62.9	53%	0.526	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-73.3	-12.2	178.2	-69.8	168.3	-177.2	179.4	0	114.5	K54 H55 F56	K54-K58 WeakPolarHBondContact O-CG 3.41Å; H55-K58 WeakPolarHBondContact O-CB 3.31Å; H55-K58 PolarHBondContact O-N 3.24Å; F56-K58 PolarHBondContact O-N 2.87Å; F56-K58 VanDerWaalsContact O-N 3.11Å
59	V	95.8	Very high	95.5	Very high	8 Å²	8	61.8 Å²	61.8	5%	0.048	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-111.2	1.4	178.8	-59.5	0	0	0	0	111.8	L22 T28 E29 R30 A32 F56 Q57	L22-V59 HydrophobicContact CD2-CG2 4.18Å; T28-V59 CarbonylContact C-O 3.53Å; T28-V59 VanDerWaalsContact CA-O 3.26Å; T28-V59 WeakPolarHBondContact CA-O 3.37Å; T28-V59 WeakPolarHBondContact CB-O 3.48Å; T28-V59 HydrophobicContact CG2-CG2 3.91Å; E29-V59 PolarHBondContact N-O 3.04Å; R30-V59 HydrophobicContact CG-CB 4.12Å; R30-V59 HydrophobicContact CG-CG1 3.74Å; A32-V59 HydrophobicContact CB-CG2 3.83Å; F56-V59 WeakPolarHBondContact O-CG2 3.47Å; F56-V59 PolarHBondContact O-N 3.37Å; F56-V59 VanDerWaalsContact O-N 3.16Å; Q57-V59 PolarHBondContact O-N 3.06Å
60	M	94.3	Very high	95.5	Very high	9 Å²	9	61.7 Å²	61.7	4%	0.044	29%	0.287	C	S	.	.	S	Bend	trans	-106.7	150.1	-179.4	-63.8	-173.9	80.6	0	0	110.9	Q57 D64 I65 F104	Q57-M60 PolarHBondContact O-N 2.83Å; M60-D64 HydrophobicContact CE-CB 4.17Å; M60-D64 WeakPolarHBondContact CE-O 3.45Å; M60-I65 HydrophobicContact CB-CD1 4.46Å; M60-I65 HydrophobicContact CB-CG1 3.94Å; M60-I65 HydrophobicContact SD-CG1 4.5Å; M60-F104 HydrophobicContact CE-CB 3.8Å; M60-F104 HydrophobicContact CE-CD2 3.84Å; M60-F104 HydrophobicContact CE-CG 3.88Å; M60-F104 HydrophobicContact SD-CB 4.25Å; M60-F104 HydrophobicContact SD-CD1 4.21Å; M60-F104 HydrophobicContact SD-CD2 3.25Å; M60-F104 WeakPolarHBondContact SD-CD2 3.48Å; M60-F104 HydrophobicContact SD-CE1 4.4Å; M60-F104 HydrophobicContact SD-CE2 3.5Å; M60-F104 VanDerWaalsContact SD-CE2 3.5Å; M60-F104 HydrophobicContact SD-CG 3.64Å; M60-F104 HydrophobicContact SD-CZ 4.08Å
61	R	92.5	Very high	95.5	Very high	105 Å²	105	59 Å²	59	40%	0.396	27%	0.271	S	S	.	.			trans	-72.8	147.5	169.1	-72.2	-177	-85.2	173.6	-14.9	110.5	I27 E29 E63 D64 I65	I27-R61 VanDerWaalsContact CG2-NH2 3.3Å; E29-R61 HydrophobicContact CG-CG 3.84Å; E29-R61 WeakPolarHBondContact OE1-CG 3.32Å; R61-E63 HydrophobicContact CB-CG 4.3Å; R61-E63 IonicContact NH1-OE1 3.54Å; R61-E63 PolarHBondContact O-N 3.38Å; R61-D64 IonicContact CZ-OD2 3.62Å; R61-D64 IonicContact NE-OD2 2.8Å; R61-D64 PolarHBondContact O-N 2.99Å; R61-I65 WeakPolarHBondContact O-CG1 3.47Å; R61-I65 PolarHBondContact O-N 3.5Å
62	Q	90.6	Very high	95.5	Very high	158 Å²	158	52.8 Å²	52.8	74%	0.738	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-58.5	-36.6	-175.6	-169.8	70	23.3	0	0	112.5	D64 I65	Q62-D64 VanDerWaalsContact C-N 3.28Å; Q62-D64 PolarHBondContact O-N 3.44Å; Q62-I65 PolarHBondContact O-N 3.25Å
63	E	91.5	Very high	95.4	Very high	143 Å²	143	59.9 Å²	59.9	67%	0.668	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21	176.2	59.8	-97.9	-151.2	0	0	114.6	R61	R61-E63 HydrophobicContact CB-CG 4.3Å; R61-E63 IonicContact NH1-OE1 3.54Å; R61-E63 PolarHBondContact O-N 3.38Å
64	D	89.8	Confident	95.3	Very high	23 Å²	23	59 Å²	59	12%	0.123	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-92.6	-7.6	-179.3	-71.1	-50.1	0	0	0	112.4	M60 R61 Q62 S66 K105	M60-D64 HydrophobicContact CE-CB 4.17Å; M60-D64 WeakPolarHBondContact CE-O 3.45Å; R61-D64 IonicContact CZ-OD2 3.62Å; R61-D64 IonicContact NE-OD2 2.8Å; R61-D64 PolarHBondContact O-N 2.99Å; Q62-D64 VanDerWaalsContact C-N 3.28Å; Q62-D64 PolarHBondContact O-N 3.44Å; D64-S66 PolarHBondContact O-N 3.41Å; D64-K105 WeakPolarHBondContact OD1-CE 3.35Å; D64-K105 IonicContact OD1-NZ 2.82Å; D64-K105 PolarHBondContact OD1-NZ 2.83Å
65	I	90.2	Very high	95.2	Very high	43 Å²	43	55.3 Å²	55.3	22%	0.221	28%	0.279	C	S	.	.			trans	-81.9	106.8	-179.7	-63	171	0	0	0	110.1	Q57 M60 R61 Q62	Q57-I65 HydrophobicContact CB-CD1 4.08Å; Q57-I65 HydrophobicContact CG-CD1 4.04Å; Q57-I65 HydrophobicContact CG-CG1 4.33Å; Q57-I65 HydrophobicContact CG-CG2 4.08Å; M60-I65 HydrophobicContact CB-CD1 4.46Å; M60-I65 HydrophobicContact CB-CG1 3.94Å; M60-I65 HydrophobicContact SD-CG1 4.5Å; R61-I65 WeakPolarHBondContact O-CG1 3.47Å; R61-I65 PolarHBondContact O-N 3.5Å; Q62-I65 PolarHBondContact O-N 3.25Å
66	S	92.8	Very high	95.2	Very high	56 Å²	56	54.5 Å²	54.5	39%	0.392	28%	0.277	S	S	.	.			trans	-113.4	-164.8	171.8	37.3	0	0	0	0	112	D64 I68 F104	D64-S66 PolarHBondContact O-N 3.41Å; S66-I68 PolarHBondContact O-N 3.2Å; S66-F104 WeakPolarHBondContact CB-O 3.35Å; S66-F104 PolarHBondContact OG-O 2.96Å
67	E	95.1	Very high	95.3	Very high	54 Å²	54	54.7 Å²	54.7	25%	0.252	28%	0.278	S	S	.	.			trans	-63.4	128.5	175.6	-175.5	171.3	-176.4	0	0	110.6	F107 H114 C115	E67-F107 HydrophobicContact CG-CD2 4.44Å; E67-F107 HydrophobicContact CG-CE2 4.27Å; E67-H114 IonicContact OE2-CE1 2.72Å; E67-H114 IonicContact OE2-CG 3.86Å; E67-H114 IonicContact OE2-ND1 2.71Å; E67-H114 PolarHBondContact OE2-ND1 3.32Å; E67-C115 PolarHBondContact OE1-N 3.03Å
68	I	97.4	Very high	95.3	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.077	28%	0.28	C	S	.	.			trans	-74.9	135	177.5	-170.9	173.1	0	0	0	109.8	K53 S66 F70 V102 H103 F104	K53-I68 HydrophobicContact CB-CD1 3.94Å; K53-I68 HydrophobicContact CD-CG2 4.06Å; K53-I68 HydrophobicContact CG-CD1 4.23Å; K53-I68 HydrophobicContact CG-CG2 4.4Å; S66-I68 PolarHBondContact O-N 3.2Å; I68-F70 HydrophobicContact CD1-CE1 3.84Å; I68-F70 HydrophobicContact CD1-CZ 3.73Å; I68-F70 HydrophobicContact CG1-CE1 4.11Å; I68-F70 HydrophobicContact CG1-CZ 3.97Å; I68-V102 HydrophobicContact CD1-CG1 3.64Å; I68-V102 HydrophobicContact CG1-CG1 3.77Å; I68-H103 WeakPolarHBondContact CA-O 3.3Å; I68-F104 HydrophobicContact CB-CD1 4.17Å; I68-F104 HydrophobicContact CB-CE1 3.84Å; I68-F104 HydrophobicContact CB-CZ 4.38Å; I68-F104 HydrophobicContact CD1-CE1 4.25Å; I68-F104 HydrophobicContact CD1-CZ 3.96Å; I68-F104 HydrophobicContact CG1-CE1 4.08Å; I68-F104 HydrophobicContact CG1-CZ 4.12Å
69	W	98.5	Very high	95.4	Very high	19 Å²	19	50.6 Å²	50.6	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	166.4	170	65.9	-81.8	0	0	0	110.8	E71 P76 H103 K105 F107 P108 L112	W69-E71 HydrophobicContact CZ3-CB 3.96Å; W69-P76 HydrophobicContact CE3-CB 4.48Å; W69-P76 HydrophobicContact CZ3-CB 4.33Å; W69-P76 HydrophobicContact CZ3-CG 4.31Å; W69-H103 HydrophobicContact CD2-CB 3.61Å; W69-H103 AromaticContact CE2-CG 3.6Å; W69-H103 HydrophobicContact CE3-CB 4.29Å; W69-H103 HydrophobicContact CG-CB 3.98Å; W69-H103 HydrophobicContact CH2-CB 4.08Å; W69-H103 AromaticContact CH2-CD2 3.67Å; W69-H103 AromaticContact CH2-CE1 3.79Å; W69-H103 AromaticContact CH2-CG 3.58Å; W69-H103 AromaticContact CH2-ND1 3.68Å; W69-H103 AromaticContact CH2-NE2 3.82Å; W69-H103 HydrophobicContact CZ2-CB 3.38Å; W69-H103 AromaticContact CZ2-CD2 3.88Å; W69-H103 AromaticContact CZ2-CE1 3.95Å; W69-H103 AromaticContact CZ2-CG 3.29Å; W69-H103 AromaticContact CZ2-ND1 3.37Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.48Å; W69-H103 HydrophobicContact CZ3-CB 4.5Å; W69-H103 AromaticContact CZ3-CD2 3.9Å; W69-H103 PolarHBondContact N-O 3.4Å; W69-H103 PolarHBondContact O-N 2.64Å; W69-K105 PolarHBondContact NE1-O 3.22Å; W69-F107 HydrophobicContact CB-CD2 3.9Å; W69-F107 HydrophobicContact CB-CE2 3.87Å; W69-F107 AromaticContact CD1-CD2 3.75Å; W69-F107 AromaticContact CG-CD2 3.94Å; W69-F107 HydrophobicContact CG-CD2 3.94Å; W69-F107 HydrophobicContact CG-CE2 4.38Å; W69-P108 HydrophobicContact CD2-CG 4.2Å; W69-P108 HydrophobicContact CE3-CG 3.95Å; W69-P108 HydrophobicContact CH2-CG 4.43Å; W69-P108 HydrophobicContact CZ3-CG 4.06Å; W69-L112 HydrophobicContact CB-CD1 3.91Å; W69-L112 HydrophobicContact CD2-CD1 4.46Å; W69-L112 HydrophobicContact CE3-CD1 4.1Å; W69-L112 HydrophobicContact CG-CD1 4.44Å
70	F	98.6	Very high	95.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.1	-169.7	-55	-75.4	0	0	0	110.1	F20 L45 T49 I68 L77 I100 T101 V102	F20-F70 HydrophobicContact CD1-CD1 4.15Å; F20-F70 HydrophobicContact CD1-CE1 4.09Å; F20-F70 AromaticContact CE1-CD1 3.9Å; F20-F70 HydrophobicContact CE1-CD1 3.9Å; F20-F70 AromaticContact CE1-CE1 3.81Å; F20-F70 HydrophobicContact CE1-CE1 3.81Å; L45-F70 HydrophobicContact CB-CD2 4.12Å; L45-F70 HydrophobicContact CB-CE2 4.18Å; L45-F70 HydrophobicContact CD1-CB 4.39Å; L45-F70 HydrophobicContact CD1-CD2 4.14Å; L45-F70 HydrophobicContact CD1-CG 4.5Å; T49-F70 HydrophobicContact CG2-CZ 4.03Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.49Å; I68-F70 HydrophobicContact CD1-CE1 3.84Å; I68-F70 HydrophobicContact CD1-CZ 3.73Å; I68-F70 HydrophobicContact CG1-CE1 4.11Å; I68-F70 HydrophobicContact CG1-CZ 3.97Å; F70-L77 HydrophobicContact CB-CB 4.2Å; F70-L77 HydrophobicContact CB-CD1 4.02Å; F70-L77 PolarHBondContact O-N 2.82Å; F70-I100 HydrophobicContact CB-CG2 3.74Å; F70-I100 HydrophobicContact CD1-CG2 3.84Å; F70-I100 HydrophobicContact CG-CG2 4.18Å; F70-T101 WeakPolarHBondContact CA-O 3.43Å; F70-V102 HydrophobicContact CD1-CG2 4.02Å; F70-V102 HydrophobicContact CE1-CG1 4.38Å; F70-V102 HydrophobicContact CE1-CG2 3.99Å
71	E	98.1	Very high	95.8	Very high	26 Å²	26	52.6 Å²	52.6	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.8	171.4	66.6	172.7	-175.6	0	0	111.8	W69 T75 T101 H103	W69-E71 HydrophobicContact CZ3-CB 3.96Å; E71-T75 VanDerWaalsContact CA-O 3.25Å; E71-T75 WeakPolarHBondContact CA-O 3.28Å; E71-T75 WeakPolarHBondContact CB-O 3.46Å; E71-T101 HydrophobicContact CG-CG2 4.37Å; E71-T101 PolarHBondContact N-O 3.02Å; E71-T101 PolarHBondContact O-N 2.88Å; E71-T101 WeakPolarHBondContact OE1-CB 3.27Å; E71-H103 WeakPolarHBondContact CG-NE2 3.49Å; E71-H103 IonicContact OE1-CD2 2.72Å; E71-H103 IonicContact OE1-CE1 3.39Å; E71-H103 IonicContact OE1-NE2 3.44Å; E71-H103 PolarHBondContact OE1-NE2 3.45Å; E71-H103 IonicContact OE2-NE2 3.52Å
72	Y	98.1	Very high	96.1	Very high	13 Å²	13	47.8 Å²	47.8	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.3	166.4	176.5	-98.8	0	0	0	108.2	G74 T75 L90 A91 S94 W98 N99	Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.34Å; Y72-T75 PolarHBondContact N-O 3.31Å; Y72-T75 WeakPolarHBondContact O-CA 3.37Å; Y72-T75 VanDerWaalsContact O-CB 3.3Å; Y72-T75 WeakPolarHBondContact O-CB 3.17Å; Y72-T75 PolarHBondContact O-N 2.93Å; Y72-L90 HydrophobicContact CD1-CB 4.07Å; Y72-L90 HydrophobicContact CE1-CB 4.49Å; Y72-L90 WeakPolarHBondContact CE1-O 3.37Å; Y72-A91 HydrophobicContact CD1-CB 4.44Å; Y72-A91 HydrophobicContact CD2-CB 4.29Å; Y72-A91 HydrophobicContact CE1-CB 3.94Å; Y72-A91 HydrophobicContact CE2-CB 3.74Å; Y72-S94 WeakPolarHBondContact OH-CB 3.3Å; Y72-S94 PolarHBondContact OH-OG 2.77Å; Y72-W98 AromaticContact CD2-CD1 3.5Å; Y72-W98 VanDerWaalsContact CD2-CD1 3.5Å; Y72-W98 AromaticContact CD2-NE1 3.09Å; Y72-W98 AromaticContact CE2-CD1 3.62Å; Y72-W98 AromaticContact CE2-NE1 3.63Å; Y72-W98 AromaticContact CG-NE1 3.62Å; Y72-N99 VanDerWaalsContact CD2-O 3.3Å; Y72-N99 WeakPolarHBondContact CD2-O 3.29Å
73	E	96.1	Very high	96.5	Very high	149 Å²	149	40.2 Å²	40.2	70%	0.696	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	46.8	178.4	-65.1	-178.7	-171.8	0	0	113.7	T75	E73-T75 PolarHBondContact O-N 3.26Å
74	G	95.2	Very high	96.8	Very high	55 Å²	55	33.4 Å²	33.4	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	1.3	-179.4	0	0	0	0	0	115.2	Y72 P76	Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.34Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å
75	T	96.5	Very high	97.3	Very high	64 Å²	64	32.4 Å²	32.4	39%	0.393	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.2	175.4	-58.7	0	0	0	0	110.7	E71 Y72 E73 L77	E71-T75 VanDerWaalsContact CA-O 3.25Å; E71-T75 WeakPolarHBondContact CA-O 3.28Å; E71-T75 WeakPolarHBondContact CB-O 3.46Å; Y72-T75 PolarHBondContact N-O 3.31Å; Y72-T75 WeakPolarHBondContact O-CA 3.37Å; Y72-T75 VanDerWaalsContact O-CB 3.3Å; Y72-T75 WeakPolarHBondContact O-CB 3.17Å; Y72-T75 PolarHBondContact O-N 2.93Å; E73-T75 PolarHBondContact O-N 3.26Å; T75-L77 PolarHBondContact O-N 2.72Å
76	P	98.1	Very high	97.7	Very high	22 Å²	22	30.7 Å²	30.7	14%	0.143	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	128.4	174.5	-24.9	35.1	0	0	0	112.6	W69 G74 K78 P108 D111 L112	W69-P76 HydrophobicContact CE3-CB 4.48Å; W69-P76 HydrophobicContact CZ3-CB 4.33Å; W69-P76 HydrophobicContact CZ3-CG 4.31Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å; P76-K78 PolarHBondContact O-N 3.41Å; P76-P108 HydrophobicContact CB-CG 3.83Å; P76-P108 HydrophobicContact CG-CB 4.11Å; P76-P108 HydrophobicContact CG-CG 3.82Å; P76-D111 HydrophobicContact CB-CB 4.17Å; P76-D111 HydrophobicContact CG-CB 4.05Å; P76-L112 HydrophobicContact CB-CD1 3.85Å; P76-L112 HydrophobicContact CB-CD2 3.86Å; P76-L112 HydrophobicContact CB-CG 3.7Å
77	L	98.4	Very high	97.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.152	C	C	.	.			trans	-85.8	113.5	-176.4	-64.4	178.4	0	0	0	111.3	L45 F70 T75 W79 L86 L90 W98 I100 L112	L45-L77 HydrophobicContact CD1-CB 3.75Å; L45-L77 HydrophobicContact CD1-CD1 3.99Å; F70-L77 HydrophobicContact CB-CB 4.2Å; F70-L77 HydrophobicContact CB-CD1 4.02Å; F70-L77 PolarHBondContact O-N 2.82Å; T75-L77 PolarHBondContact O-N 2.72Å; L77-W79 PolarHBondContact O-N 3.47Å; L77-L86 HydrophobicContact CB-CD1 4.38Å; L77-L86 HydrophobicContact CD2-CD2 4.49Å; L77-L90 HydrophobicContact CD2-CD1 3.54Å; L77-W98 HydrophobicContact CD1-CH2 4.11Å; L77-W98 HydrophobicContact CD1-CZ2 3.74Å; L77-W98 HydrophobicContact CD2-CZ2 4.07Å; L77-I100 HydrophobicContact CD1-CD1 3.87Å; L77-I100 HydrophobicContact CD1-CG1 4.05Å; L77-I100 HydrophobicContact CD1-CG2 4.12Å; L77-L112 WeakPolarHBondContact O-CD2 3.41Å
78	K	98.4	Very high	98.1	Very high	72 Å²	72	26.3 Å²	26.3	31%	0.313	14%	0.141	S	C	.	.			trans	-66.9	104.3	-179.9	-66.1	176.6	-179.8	66.7	0	110.5	P76 H80 Y81 L112	P76-K78 PolarHBondContact O-N 3.41Å; K78-H80 PolarHBondContact O-N 3.45Å; K78-Y81 HydrophobicContact CB-CD1 4.29Å; K78-Y81 HydrophobicContact CB-CG 4.26Å; K78-Y81 HydrophobicContact CD-CE1 4.38Å; K78-Y81 HydrophobicContact CD-CE2 4.47Å; K78-Y81 PolarHBondContact O-N 3.44Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.04Å
79	W	98.4	Very high	98	Very high	20 Å²	20	26.8 Å²	26.8	8%	0.076	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.7	-175.7	68.3	-98.6	0	0	0	114.4	Y44 T46 L77 Y81 L113 C115 I121 H124	Y44-W79 WeakPolarHBondContact CB-O 3.42Å; Y44-W79 WeakPolarHBondContact CD1-O 3.17Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.12Å; L77-W79 PolarHBondContact O-N 3.47Å; W79-Y81 VanDerWaalsContact C-N 3.26Å; W79-Y81 PolarHBondContact O-N 3.2Å; W79-L113 PolarHBondContact NE1-O 3.35Å; W79-C115 HydrophobicContact CD2-CB 3.94Å; W79-C115 HydrophobicContact CG-CB 4.1Å; W79-C115 HydrophobicContact CZ2-CB 4.17Å; W79-I121 HydrophobicContact CE3-CG1 4.3Å; W79-I121 HydrophobicContact CZ3-CB 4.25Å; W79-I121 HydrophobicContact CZ3-CG1 3.91Å; W79-I121 HydrophobicContact CZ3-CG2 4.3Å; W79-H124 HydrophobicContact CH2-CB 4.05Å; W79-H124 HydrophobicContact CZ3-CB 4.27Å
80	H	98.4	Very high	97.9	Very high	33 Å²	33	28.1 Å²	28.1	15%	0.153	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.6	-179.3	62.7	-86.6	0	0	0	112.7	K78 H124	K78-H80 PolarHBondContact O-N 3.45Å; H80-H124 PolarHBondContact O-NE2 2.92Å
81	Y	98.7	Very high	97.8	Very high	26 Å²	26	28 Å²	28	10%	0.102	15%	0.151	C	C	.	.	S	Bend	trans	-91.8	138.7	166.6	-78.8	25.5	0	0	0	108.3	K78 W79 L85 L86 Y190	K78-Y81 HydrophobicContact CB-CD1 4.29Å; K78-Y81 HydrophobicContact CB-CG 4.26Å; K78-Y81 HydrophobicContact CD-CE1 4.38Å; K78-Y81 HydrophobicContact CD-CE2 4.47Å; K78-Y81 PolarHBondContact O-N 3.44Å; W79-Y81 VanDerWaalsContact C-N 3.26Å; W79-Y81 PolarHBondContact O-N 3.2Å; Y81-L85 HydrophobicContact CD2-CD2 3.7Å; Y81-L85 HydrophobicContact CD2-CG 4.42Å; Y81-L85 HydrophobicContact CE2-CD2 4.37Å; Y81-L85 HydrophobicContact CG-CD2 4.1Å; Y81-L86 HydrophobicContact CD2-CD2 4.27Å; Y81-L86 HydrophobicContact CG-CD2 4.42Å; Y81-Y190 HydrophobicContact CD2-CE1 4.12Å; Y81-Y190 AromaticContact CE2-CD1 3.84Å; Y81-Y190 HydrophobicContact CE2-CD1 3.84Å; Y81-Y190 AromaticContact CE2-CE1 3.41Å; Y81-Y190 HydrophobicContact CE2-CE1 3.41Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.41Å; Y81-Y190 AromaticContact CZ-CE1 3.75Å
82	P	98.9	Very high	97.6	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.026	16%	0.156	C	C	.	.			trans	-56.2	144.4	175.7	-26.6	35.5	0	0	0	112.2	S43 Y44 G84 L85 L86 Y260	S43-P82 WeakPolarHBondContact O-CA 3.45Å; Y44-P82 HydrophobicContact CE1-CG 4.35Å; P82-G84 VanDerWaalsContact C-N 3.27Å; P82-G84 PolarHBondContact O-N 3.03Å; P82-L85 HydrophobicContact CB-CB 4.33Å; P82-L85 WeakPolarHBondContact O-CB 3.35Å; P82-L85 PolarHBondContact O-N 3.13Å; P82-L85 VanDerWaalsContact O-N 3.1Å; P82-L86 PolarHBondContact O-N 3.25Å; P82-Y260 HydrophobicContact CB-CD1 3.39Å; P82-Y260 HydrophobicContact CB-CE1 3.28Å; P82-Y260 HydrophobicContact CB-CG 4.36Å; P82-Y260 HydrophobicContact CG-CD1 3.71Å; P82-Y260 HydrophobicContact CG-CE1 4.02Å; P82-Y260 HydrophobicContact CG-CG 4.24Å
83	I	98.9	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-44.3	-178.5	-70.7	166	0	0	0	111.1	I16 L39 P40 R41 S43 L45 V48 L85 L86 F87 W98	I16-I83 HydrophobicContact CD1-CG2 3.93Å; L39-I83 HydrophobicContact CB-CD1 4.33Å; L39-I83 HydrophobicContact CB-CG2 3.77Å; L39-I83 HydrophobicContact CD1-CG2 3.97Å; P40-I83 WeakPolarHBondContact O-CD1 3.48Å; R41-I83 PolarHBondContact O-N 3.09Å; S43-I83 VanDerWaalsContact O-CG1 3.31Å; S43-I83 WeakPolarHBondContact O-CG1 3.25Å; S43-I83 PolarHBondContact O-N 2.82Å; L45-I83 HydrophobicContact CD2-CD1 4.4Å; L45-I83 HydrophobicContact CD2-CG1 4.01Å; L45-I83 HydrophobicContact CG-CG1 4Å; V48-I83 HydrophobicContact CG2-CD1 3.62Å; I83-L85 VanDerWaalsContact C-N 3.33Å; I83-L85 PolarHBondContact O-N 2.85Å; I83-L86 PolarHBondContact O-N 3.26Å; I83-F87 PolarHBondContact O-N 3.25Å; I83-W98 HydrophobicContact CG2-CZ3 4.03Å
84	G	98.8	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-42.8	178.9	0	0	0	0	0	112.3	R41 P82 F87 D88 Y260	R41-G84 PolarHBondContact O-N 3.32Å; P82-G84 VanDerWaalsContact C-N 3.27Å; P82-G84 PolarHBondContact O-N 3.03Å; G84-F87 PolarHBondContact O-N 3.12Å; G84-D88 VanDerWaalsContact O-CB 3.29Å; G84-D88 WeakPolarHBondContact O-CB 3.48Å; G84-D88 PolarHBondContact O-N 2.85Å; G84-Y260 VanDerWaalsContact C-OH 3.32Å; G84-Y260 WeakPolarHBondContact CA-OH 3.31Å
85	L	98.8	Very high	97.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-47.5	176.6	169.2	63.4	0	0	0	111.4	Y81 P82 I83 F87 D88 L89 Y190 Y260 H266 S268	Y81-L85 HydrophobicContact CD2-CD2 3.7Å; Y81-L85 HydrophobicContact CD2-CG 4.42Å; Y81-L85 HydrophobicContact CE2-CD2 4.37Å; Y81-L85 HydrophobicContact CG-CD2 4.1Å; P82-L85 HydrophobicContact CB-CB 4.33Å; P82-L85 WeakPolarHBondContact O-CB 3.35Å; P82-L85 PolarHBondContact O-N 3.13Å; P82-L85 VanDerWaalsContact O-N 3.1Å; I83-L85 VanDerWaalsContact C-N 3.33Å; I83-L85 PolarHBondContact O-N 2.85Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.71Å; L85-D88 PolarHBondContact O-N 3.29Å; L85-L89 WeakPolarHBondContact O-CB 3.38Å; L85-L89 PolarHBondContact O-N 2.88Å; L85-Y190 HydrophobicContact CD1-CD2 3.53Å; L85-Y190 HydrophobicContact CD1-CE2 3.87Å; L85-Y190 HydrophobicContact CD1-CG 3.88Å; L85-Y190 HydrophobicContact CD2-CD1 4.28Å; L85-Y190 HydrophobicContact CD2-CD2 4.04Å; L85-Y190 HydrophobicContact CD2-CE1 3.83Å; L85-Y190 HydrophobicContact CD2-CE2 3.58Å; L85-Y190 HydrophobicContact CD2-CG 4.38Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.45Å; L85-Y190 HydrophobicContact CG-CD2 4.42Å; L85-Y190 HydrophobicContact CG-CE2 4.38Å; L85-Y260 PolarHBondContact N-OH 2.82Å; L85-Y260 VanDerWaalsContact N-OH 3.12Å; L85-H266 HydrophobicContact CD1-CB 4.25Å; L85-H266 HydrophobicContact CD2-CB 4.19Å; L85-S268 WeakPolarHBondContact CD1-OG 3.31Å
86	L	98.6	Very high	97.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-45.3	178.6	-70.5	172.8	0	0	0	111.3	L45 L77 Y81 P82 I83 L90 W98	L45-L86 HydrophobicContact CD1-CD1 3.8Å; L45-L86 HydrophobicContact CG-CD1 4.36Å; L77-L86 HydrophobicContact CB-CD1 4.38Å; L77-L86 HydrophobicContact CD2-CD2 4.49Å; Y81-L86 HydrophobicContact CD2-CD2 4.27Å; Y81-L86 HydrophobicContact CG-CD2 4.42Å; P82-L86 PolarHBondContact O-N 3.25Å; I83-L86 PolarHBondContact O-N 3.26Å; L86-L90 HydrophobicContact CD2-CD1 4.42Å; L86-L90 VanDerWaalsContact O-CB 3.23Å; L86-L90 WeakPolarHBondContact O-CB 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.35Å; L86-L90 PolarHBondContact O-N 3.07Å; L86-W98 HydrophobicContact CB-CH2 3.85Å; L86-W98 HydrophobicContact CB-CZ2 4.36Å
87	F	98.6	Very high	97.3	Very high	16 Å²	16	31.7 Å²	31.7	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-49.4	177.8	177.8	-98.5	0	0	0	112.1	I16 I83 G84 L85 L89 L90 A91 S92 L96 W98	I16-F87 HydrophobicContact CD1-CB 3.43Å; I16-F87 VanDerWaalsContact CD1-CB 3.43Å; I16-F87 HydrophobicContact CD1-CD1 3.91Å; I16-F87 HydrophobicContact CD1-CD2 4.49Å; I16-F87 HydrophobicContact CD1-CG 3.68Å; I16-F87 HydrophobicContact CG1-CB 4.38Å; I16-F87 HydrophobicContact CG1-CD1 4.06Å; I16-F87 HydrophobicContact CG1-CG 4.1Å; I16-F87 HydrophobicContact CG2-CD1 4.48Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.03Å; I16-F87 HydrophobicContact CG2-CG 4.02Å; I16-F87 HydrophobicContact CG2-CZ 4.49Å; I83-F87 PolarHBondContact O-N 3.25Å; G84-F87 PolarHBondContact O-N 3.12Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.71Å; F87-L89 PolarHBondContact O-N 3.31Å; F87-L90 PolarHBondContact O-N 3.17Å; F87-A91 HydrophobicContact CD2-CB 3.85Å; F87-A91 HydrophobicContact CE2-CB 3.95Å; F87-A91 CarbonylContact O-C 3.59Å; F87-A91 PolarHBondContact O-N 3.33Å; F87-S92 PolarHBondContact O-N 2.93Å; F87-L96 HydrophobicContact CE2-CD2 3.84Å; F87-L96 HydrophobicContact CZ-CD2 3.62Å; F87-W98 HydrophobicContact CB-CD2 4.42Å; F87-W98 HydrophobicContact CB-CE3 4.1Å; F87-W98 HydrophobicContact CB-CH2 4.39Å; F87-W98 HydrophobicContact CB-CZ3 4.08Å; F87-W98 HydrophobicContact CD2-CB 3.82Å; F87-W98 AromaticContact CD2-CD2 3.67Å; F87-W98 HydrophobicContact CD2-CD2 3.67Å; F87-W98 AromaticContact CD2-CE3 3.95Å; F87-W98 HydrophobicContact CD2-CE3 3.95Å; F87-W98 AromaticContact CD2-CG 3.61Å; F87-W98 HydrophobicContact CD2-CG 3.61Å; F87-W98 HydrophobicContact CE2-CB 3.81Å; F87-W98 HydrophobicContact CE2-CG 4.02Å; F87-W98 HydrophobicContact CG-CE3 4.45Å
88	D	98.1	Very high	97.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-37.3	-178.6	-70.5	-8.3	0	0	0	111.7	R41 G84 L85 S92 M239 H241 G242	R41-D88 IonicContact CZ-OD1 3.83Å; R41-D88 IonicContact NH1-OD1 2.74Å; R41-D88 PolarHBondContact NH1-OD1 2.74Å; R41-D88 IonicContact NH1-OD2 3.64Å; R41-D88 PolarHBondContact NH1-OD2 3.06Å; R41-D88 IonicContact NH2-OD1 2.7Å; R41-D88 PolarHBondContact NH2-OD1 3.39Å; G84-D88 VanDerWaalsContact O-CB 3.29Å; G84-D88 WeakPolarHBondContact O-CB 3.48Å; G84-D88 PolarHBondContact O-N 2.85Å; L85-D88 PolarHBondContact O-N 3.29Å; D88-S92 WeakPolarHBondContact O-CB 3.23Å; D88-S92 PolarHBondContact O-OG 3.14Å; D88-M239 HydrophobicContact CB-CG 4.16Å; D88-M239 HydrophobicContact CB-SD 3.69Å; D88-H241 PolarHBondContact OD2-N 2.83Å; D88-G242 WeakPolarHBondContact OD1-CA 3.49Å; D88-G242 PolarHBondContact OD1-N 2.85Å; D88-G242 PolarHBondContact OD2-N 2.76Å
89	L	96.7	Very high	97.3	Very high	26 Å²	26	32.5 Å²	32.5	14%	0.136	20%	0.196	C	C	.	.	H	α-helix	trans	-80.1	-34	-177.9	-172.6	65.2	0	0	0	113.8	L85 F87 T192 I270	L85-L89 WeakPolarHBondContact O-CB 3.38Å; L85-L89 PolarHBondContact O-N 2.88Å; F87-L89 PolarHBondContact O-N 3.31Å; L89-T192 HydrophobicContact CD1-CG2 3.82Å; L89-T192 HydrophobicContact CG-CG2 3.83Å; L89-I270 HydrophobicContact CD1-CG2 4.44Å
90	L	96.1	Very high	97.4	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-112.4	-30.1	-166.8	-57.4	175	0	0	0	114.4	Y72 L77 L86 F87 T192	Y72-L90 HydrophobicContact CD1-CB 4.07Å; Y72-L90 HydrophobicContact CE1-CB 4.49Å; Y72-L90 WeakPolarHBondContact CE1-O 3.37Å; L77-L90 HydrophobicContact CD2-CD1 3.54Å; L86-L90 HydrophobicContact CD2-CD1 4.42Å; L86-L90 VanDerWaalsContact O-CB 3.23Å; L86-L90 WeakPolarHBondContact O-CB 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.35Å; L86-L90 PolarHBondContact O-N 3.07Å; F87-L90 PolarHBondContact O-N 3.17Å; L90-T192 HydrophobicContact CD2-CG2 4.35Å
91	A	96.3	Very high	97.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	6.5	-164.8	0	0	0	0	0	114.2	Y72 F87 S93 S94 W98	Y72-A91 HydrophobicContact CD1-CB 4.44Å; Y72-A91 HydrophobicContact CD2-CB 4.29Å; Y72-A91 HydrophobicContact CE1-CB 3.94Å; Y72-A91 HydrophobicContact CE2-CB 3.74Å; F87-A91 HydrophobicContact CD2-CB 3.85Å; F87-A91 HydrophobicContact CE2-CB 3.95Å; F87-A91 CarbonylContact O-C 3.59Å; F87-A91 PolarHBondContact O-N 3.33Å; A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.23Å; A91-S94 WeakPolarHBondContact O-CB 3.42Å; A91-S94 PolarHBondContact O-N 3.38Å; A91-S94 VanDerWaalsContact O-N 3.09Å; A91-W98 HydrophobicContact CB-CG 4.35Å
92	S	94.4	Very high	97.4	Very high	33 Å²	33	30.4 Å²	30.4	23%	0.231	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.3	-176.1	51.2	0	0	0	0	114.1	F87 D88 I270	F87-S92 PolarHBondContact O-N 2.93Å; D88-S92 WeakPolarHBondContact O-CB 3.23Å; D88-S92 PolarHBondContact O-OG 3.14Å; S92-I270 VanDerWaalsContact OG-CD1 3.3Å; S92-I270 WeakPolarHBondContact OG-CD1 3.17Å
93	S	92.8	Very high	97.3	Very high	98 Å²	98	30.8 Å²	30.8	69%	0.685	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.7	174	56	0	0	0	0	113.5	A91	A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.23Å
94	S	92.9	Very high	97.2	Very high	42 Å²	42	30.9 Å²	30.9	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	-88.1	153.3	-179.9	-61.6	0	0	0	0	111.8	Y72 A91 L96	Y72-S94 WeakPolarHBondContact OH-CB 3.3Å; Y72-S94 PolarHBondContact OH-OG 2.77Å; A91-S94 WeakPolarHBondContact O-CB 3.42Å; A91-S94 PolarHBondContact O-N 3.38Å; A91-S94 VanDerWaalsContact O-N 3.09Å; S94-L96 PolarHBondContact O-N 3.4Å
95	A	95.6	Very high	96.9	Very high	89 Å²	89	33.7 Å²	33.7	74%	0.736	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-62.7	137.2	175.7	0	0	0	0	0	111.3
96	L	97.8	Very high	96.7	Very high	102 Å²	102	39 Å²	39	53%	0.534	24%	0.242	S	C	.	.	S	Bend	trans	-72.4	152.7	170.9	-69	177	0	0	0	111.1	P17 F87 S94	P17-L96 HydrophobicContact CG-CB 4.28Å; P17-L96 HydrophobicContact CG-CD1 3.85Å; P17-L96 HydrophobicContact CG-CD2 4.01Å; P17-L96 HydrophobicContact CG-CG 4.28Å; F87-L96 HydrophobicContact CE2-CD2 3.84Å; F87-L96 HydrophobicContact CZ-CD2 3.62Å; S94-L96 PolarHBondContact O-N 3.4Å
97	P	98.4	Very high	96.7	Very high	43 Å²	43	40.2 Å²	40.2	28%	0.279	25%	0.247	S	C	.	.	S	Bend	cis	-73.7	158.9	-0.1	32	-35.9	0	0	0	113	P17 C19 Y36 N99	P17-P97 HydrophobicContact CB-CB 4.36Å; P17-P97 CarbonylContact O-C 3.58Å; P17-P97 WeakPolarHBondContact O-CA 3.22Å; P17-P97 WeakPolarHBondContact O-CB 3.13Å; C19-P97 HydrophobicContact CB-CB 4.28Å; C19-P97 HydrophobicContact CB-CG 3.86Å; Y36-P97 HydrophobicContact CE1-CG 4.2Å; P97-N99 PolarHBondContact O-N 3.42Å; P97-N99 VanDerWaalsContact O-N 3.16Å; P97-N99 PolarHBondContact O-ND2 2.7Å
98	W	98.7	Very high	96.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	115	172.3	-175.9	24.2	0	0	0	109.8	I16 P17 T18 C19 L39 Y72 L77 I83 L86 F87 A91 I100	I16-W98 HydrophobicContact CG2-CB 3.95Å; I16-W98 HydrophobicContact CG2-CE3 4Å; P17-W98 PolarHBondContact O-N 3.37Å; T18-W98 CarbonylContact C-O 3.49Å; T18-W98 VanDerWaalsContact CA-O 3.31Å; T18-W98 WeakPolarHBondContact CA-O 3.41Å; T18-W98 HydrophobicContact CG2-CB 4.44Å; T18-W98 HydrophobicContact CG2-CE3 4.47Å; T18-W98 VanDerWaalsContact CG2-O 3.28Å; T18-W98 WeakPolarHBondContact CG2-O 3.33Å; C19-W98 PolarHBondContact N-O 2.96Å; L39-W98 HydrophobicContact CD1-CE3 4.33Å; L39-W98 HydrophobicContact CD1-CZ3 4.2Å; Y72-W98 AromaticContact CD2-CD1 3.5Å; Y72-W98 VanDerWaalsContact CD2-CD1 3.5Å; Y72-W98 AromaticContact CD2-NE1 3.09Å; Y72-W98 AromaticContact CE2-CD1 3.62Å; Y72-W98 AromaticContact CE2-NE1 3.63Å; Y72-W98 AromaticContact CG-NE1 3.62Å; L77-W98 HydrophobicContact CD1-CH2 4.11Å; L77-W98 HydrophobicContact CD1-CZ2 3.74Å; L77-W98 HydrophobicContact CD2-CZ2 4.07Å; I83-W98 HydrophobicContact CG2-CZ3 4.03Å; L86-W98 HydrophobicContact CB-CH2 3.85Å; L86-W98 HydrophobicContact CB-CZ2 4.36Å; F87-W98 HydrophobicContact CB-CD2 4.42Å; F87-W98 HydrophobicContact CB-CE3 4.1Å; F87-W98 HydrophobicContact CB-CH2 4.39Å; F87-W98 HydrophobicContact CB-CZ3 4.08Å; F87-W98 HydrophobicContact CD2-CB 3.82Å; F87-W98 AromaticContact CD2-CD2 3.67Å; F87-W98 HydrophobicContact CD2-CD2 3.67Å; F87-W98 AromaticContact CD2-CE3 3.95Å; F87-W98 HydrophobicContact CD2-CE3 3.95Å; F87-W98 AromaticContact CD2-CG 3.61Å; F87-W98 HydrophobicContact CD2-CG 3.61Å; F87-W98 HydrophobicContact CE2-CB 3.81Å; F87-W98 HydrophobicContact CE2-CG 4.02Å; F87-W98 HydrophobicContact CG-CE3 4.45Å; A91-W98 HydrophobicContact CB-CG 4.35Å; W98-I100 HydrophobicContact CD2-CD1 3.82Å; W98-I100 HydrophobicContact CD2-CG1 3.87Å; W98-I100 HydrophobicContact CE3-CD1 3.75Å; W98-I100 HydrophobicContact CE3-CG1 4.31Å; W98-I100 HydrophobicContact CG-CG1 4.23Å; W98-I100 HydrophobicContact CH2-CD1 3.82Å; W98-I100 HydrophobicContact CZ2-CD1 3.9Å; W98-I100 HydrophobicContact CZ2-CG1 4.15Å; W98-I100 HydrophobicContact CZ3-CD1 3.75Å; W98-I100 PolarHBondContact O-N 3.25Å
99	N	98.6	Very high	96.5	Very high	88 Å²	88	46 Å²	46	47%	0.471	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105.3	-176.3	-62.4	-58.1	0	0	0	110.6	Y72 P97	Y72-N99 VanDerWaalsContact CD2-O 3.3Å; Y72-N99 WeakPolarHBondContact CD2-O 3.29Å; P97-N99 PolarHBondContact O-N 3.42Å; P97-N99 VanDerWaalsContact O-N 3.16Å; P97-N99 PolarHBondContact O-ND2 2.7Å
100	I	98.8	Very high	96.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.7	177.9	-64.8	-177	0	0	0	109.3	T18 C19 F20 T21 L39 L45 F70 L77 W98	T18-I100 HydrophobicContact CG2-CB 4.29Å; T18-I100 HydrophobicContact CG2-CD1 3.63Å; T18-I100 HydrophobicContact CG2-CG1 3.85Å; C19-I100 PolarHBondContact O-N 3.06Å; F20-I100 WeakPolarHBondContact CA-O 3.48Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.77Å; F20-I100 HydrophobicContact CE1-CB 4.01Å; F20-I100 HydrophobicContact CE1-CD1 3.94Å; F20-I100 HydrophobicContact CE1-CG2 3.8Å; F20-I100 HydrophobicContact CZ-CD1 4.23Å; T21-I100 PolarHBondContact N-O 3.36Å; L39-I100 HydrophobicContact CD1-CD1 4.34Å; L45-I100 HydrophobicContact CD2-CD1 4.19Å; F70-I100 HydrophobicContact CB-CG2 3.74Å; F70-I100 HydrophobicContact CD1-CG2 3.84Å; F70-I100 HydrophobicContact CG-CG2 4.18Å; L77-I100 HydrophobicContact CD1-CD1 3.87Å; L77-I100 HydrophobicContact CD1-CG1 4.05Å; L77-I100 HydrophobicContact CD1-CG2 4.12Å; W98-I100 HydrophobicContact CD2-CD1 3.82Å; W98-I100 HydrophobicContact CD2-CG1 3.87Å; W98-I100 HydrophobicContact CE3-CD1 3.75Å; W98-I100 HydrophobicContact CE3-CG1 4.31Å; W98-I100 HydrophobicContact CG-CG1 4.23Å; W98-I100 HydrophobicContact CH2-CD1 3.82Å; W98-I100 HydrophobicContact CZ2-CD1 3.9Å; W98-I100 HydrophobicContact CZ2-CG1 4.15Å; W98-I100 HydrophobicContact CZ3-CD1 3.75Å; W98-I100 PolarHBondContact O-N 3.25Å
101	T	98.8	Very high	96.4	Very high	35 Å²	35	56.2 Å²	56.2	22%	0.215	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.2	170.7	-48.8	0	0	0	0	109.9	T21 Y23 F70 E71	T21-T101 CarbonylContact O-C 3.56Å; T21-T101 VanDerWaalsContact O-CA 3.31Å; T21-T101 WeakPolarHBondContact O-CA 3.23Å; Y23-T101 HydrophobicContact CD2-CG2 3.94Å; Y23-T101 HydrophobicContact CG-CG2 4.33Å; F70-T101 WeakPolarHBondContact CA-O 3.43Å; E71-T101 HydrophobicContact CG-CG2 4.37Å; E71-T101 PolarHBondContact N-O 3.02Å; E71-T101 PolarHBondContact O-N 2.88Å; E71-T101 WeakPolarHBondContact OE1-CB 3.27Å
102	V	98.5	Very high	96.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133	178.8	-178.3	0	0	0	0	109.8	F20 T21 L22 Y23 V52 F56 I68 F70 F104	F20-V102 HydrophobicContact CB-CG2 3.91Å; F20-V102 HydrophobicContact CD1-CG2 3.72Å; F20-V102 HydrophobicContact CG-CG2 4.29Å; T21-V102 PolarHBondContact O-N 3.43Å; L22-V102 HydrophobicContact CD1-CB 4.39Å; L22-V102 HydrophobicContact CD1-CG1 4.36Å; Y23-V102 WeakPolarHBondContact CB-O 3.25Å; Y23-V102 PolarHBondContact N-O 3.11Å; V52-V102 HydrophobicContact CG1-CG2 4.16Å; F56-V102 HydrophobicContact CD2-CB 4.18Å; F56-V102 HydrophobicContact CD2-CG1 4.01Å; F56-V102 HydrophobicContact CD2-CG2 4.02Å; F56-V102 HydrophobicContact CE2-CB 4.21Å; F56-V102 HydrophobicContact CE2-CG2 3.68Å; I68-V102 HydrophobicContact CD1-CG1 3.64Å; I68-V102 HydrophobicContact CG1-CG1 3.77Å; F70-V102 HydrophobicContact CD1-CG2 4.02Å; F70-V102 HydrophobicContact CE1-CG1 4.38Å; F70-V102 HydrophobicContact CE1-CG2 3.99Å; V102-F104 HydrophobicContact CG1-CD2 4.5Å; V102-F104 HydrophobicContact CG1-CE2 3.91Å; V102-F104 HydrophobicContact CG1-CZ 4.42Å
103	H	98.2	Very high	96.6	Very high	11 Å²	11	59.9 Å²	59.9	5%	0.051	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.2	178.8	-67.6	-103	0	0	0	110.8	Y23 I68 W69 E71	Y23-H103 VanDerWaalsContact CB-CE1 3.47Å; Y23-H103 WeakPolarHBondContact CB-CE1 3.46Å; Y23-H103 AromaticContact CD1-CE1 3.65Å; Y23-H103 AromaticContact CD1-ND1 3.72Å; Y23-H103 AromaticContact CD2-CE1 3.25Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.39Å; Y23-H103 AromaticContact CD2-NE2 3.77Å; Y23-H103 AromaticContact CE2-CE1 3.84Å; Y23-H103 AromaticContact CG-CE1 3.15Å; Y23-H103 AromaticContact CG-ND1 3.52Å; Y23-H103 AromaticContact CG-NE2 3.88Å; I68-H103 WeakPolarHBondContact CA-O 3.3Å; W69-H103 HydrophobicContact CD2-CB 3.61Å; W69-H103 AromaticContact CE2-CG 3.6Å; W69-H103 HydrophobicContact CE3-CB 4.29Å; W69-H103 HydrophobicContact CG-CB 3.98Å; W69-H103 HydrophobicContact CH2-CB 4.08Å; W69-H103 AromaticContact CH2-CD2 3.67Å; W69-H103 AromaticContact CH2-CE1 3.79Å; W69-H103 AromaticContact CH2-CG 3.58Å; W69-H103 AromaticContact CH2-ND1 3.68Å; W69-H103 AromaticContact CH2-NE2 3.82Å; W69-H103 HydrophobicContact CZ2-CB 3.38Å; W69-H103 AromaticContact CZ2-CD2 3.88Å; W69-H103 AromaticContact CZ2-CE1 3.95Å; W69-H103 AromaticContact CZ2-CG 3.29Å; W69-H103 AromaticContact CZ2-ND1 3.37Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.48Å; W69-H103 HydrophobicContact CZ3-CB 4.5Å; W69-H103 AromaticContact CZ3-CD2 3.9Å; W69-H103 PolarHBondContact N-O 3.4Å; W69-H103 PolarHBondContact O-N 2.64Å; E71-H103 WeakPolarHBondContact CG-NE2 3.49Å; E71-H103 IonicContact OE1-CD2 2.72Å; E71-H103 IonicContact OE1-CE1 3.39Å; E71-H103 IonicContact OE1-NE2 3.44Å; E71-H103 PolarHBondContact OE1-NE2 3.45Å; E71-H103 IonicContact OE2-NE2 3.52Å
104	F	96.2	Very high	96.8	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.009	32%	0.323	C	S	.	.			trans	-123.1	-37	171.1	-70.3	-89.1	0	0	0	110.6	L22 E26 F56 Q57 M60 S66 I68 V102	L22-F104 HydrophobicContact CD1-CD2 4.04Å; L22-F104 HydrophobicContact CD1-CE2 3.91Å; E26-F104 PolarHBondContact OE1-N 2.7Å; F56-F104 HydrophobicContact CB-CE2 3.85Å; F56-F104 HydrophobicContact CB-CZ 4.09Å; Q57-F104 HydrophobicContact CG-CE1 4.03Å; Q57-F104 HydrophobicContact CG-CZ 4.11Å; M60-F104 HydrophobicContact CE-CB 3.8Å; M60-F104 HydrophobicContact CE-CD2 3.84Å; M60-F104 HydrophobicContact CE-CG 3.88Å; M60-F104 HydrophobicContact SD-CB 4.25Å; M60-F104 HydrophobicContact SD-CD1 4.21Å; M60-F104 HydrophobicContact SD-CD2 3.25Å; M60-F104 WeakPolarHBondContact SD-CD2 3.48Å; M60-F104 HydrophobicContact SD-CE1 4.4Å; M60-F104 HydrophobicContact SD-CE2 3.5Å; M60-F104 VanDerWaalsContact SD-CE2 3.5Å; M60-F104 HydrophobicContact SD-CG 3.64Å; M60-F104 HydrophobicContact SD-CZ 4.08Å; S66-F104 WeakPolarHBondContact CB-O 3.35Å; S66-F104 PolarHBondContact OG-O 2.96Å; I68-F104 HydrophobicContact CB-CD1 4.17Å; I68-F104 HydrophobicContact CB-CE1 3.84Å; I68-F104 HydrophobicContact CB-CZ 4.38Å; I68-F104 HydrophobicContact CD1-CE1 4.25Å; I68-F104 HydrophobicContact CD1-CZ 3.96Å; I68-F104 HydrophobicContact CG1-CE1 4.08Å; I68-F104 HydrophobicContact CG1-CZ 4.12Å; V102-F104 HydrophobicContact CG1-CD2 4.5Å; V102-F104 HydrophobicContact CG1-CE2 3.91Å; V102-F104 HydrophobicContact CG1-CZ 4.42Å
105	K	93.1	Very high	97	Very high	59 Å²	59	58 Å²	58	26%	0.257	32%	0.315	S	S	.	.	S	Bend	trans	-88.1	169.4	179.8	-67.6	-177.2	179.5	-175.9	0	112.4	E26 D64 W69 F107	E26-K105 PolarHBondContact OE1-N 3.44Å; D64-K105 WeakPolarHBondContact OD1-CE 3.35Å; D64-K105 IonicContact OD1-NZ 2.82Å; D64-K105 PolarHBondContact OD1-NZ 2.83Å; W69-K105 PolarHBondContact NE1-O 3.22Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 3.38Å
106	S	94.6	Very high	96.9	Very high	113 Å²	113	58.9 Å²	58.9	79%	0.79	31%	0.313	S	S	*	.	S	Bend	trans	51.7	47.7	171.3	-56.7	0	0	0	0	114
107	F	97.3	Very high	96.9	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.145	31%	0.305	C	S	.	.			trans	-53.7	126	179.6	-171.6	-88.8	0	0	0	110.7	E67 W69 K105 E109 L112 H114	E67-F107 HydrophobicContact CG-CD2 4.44Å; E67-F107 HydrophobicContact CG-CE2 4.27Å; W69-F107 HydrophobicContact CB-CD2 3.9Å; W69-F107 HydrophobicContact CB-CE2 3.87Å; W69-F107 AromaticContact CD1-CD2 3.75Å; W69-F107 AromaticContact CG-CD2 3.94Å; W69-F107 HydrophobicContact CG-CD2 3.94Å; W69-F107 HydrophobicContact CG-CE2 4.38Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 3.38Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.12Å; F107-L112 HydrophobicContact CE1-CB 3.85Å; F107-L112 HydrophobicContact CE2-CB 4.43Å; F107-L112 HydrophobicContact CE2-CD1 4.34Å; F107-L112 HydrophobicContact CZ-CB 3.6Å; F107-L112 HydrophobicContact CZ-CD1 4.31Å; F107-H114 AromaticContact CD1-CE1 3.69Å; F107-H114 AromaticContact CE1-CE1 3.77Å; F107-H114 AromaticContact CE1-ND1 3.75Å; F107-H114 AromaticContact CZ-ND1 3.94Å
108	P	96.9	Very high	96.8	Very high	20 Å²	20	57.9 Å²	57.9	13%	0.13	31%	0.306	C	S	.	.			trans	-80.3	80.4	-174.8	31.7	-35.7	0	0	0	111.2	W69 P76 K110 D111 L112	W69-P108 HydrophobicContact CD2-CG 4.2Å; W69-P108 HydrophobicContact CE3-CG 3.95Å; W69-P108 HydrophobicContact CH2-CG 4.43Å; W69-P108 HydrophobicContact CZ3-CG 4.06Å; P76-P108 HydrophobicContact CB-CG 3.83Å; P76-P108 HydrophobicContact CG-CB 4.11Å; P76-P108 HydrophobicContact CG-CG 3.82Å; P108-K110 PolarHBondContact O-N 3.1Å; P108-D111 HydrophobicContact CB-CB 4.26Å; P108-D111 PolarHBondContact O-N 2.81Å; P108-L112 HydrophobicContact CG-CB 4.37Å; P108-L112 HydrophobicContact CG-CD1 3.66Å; P108-L112 HydrophobicContact CG-CG 3.84Å; P108-L112 PolarHBondContact O-N 3.28Å
109	E	96.8	Very high	96.7	Very high	119 Å²	119	63.1 Å²	63.1	56%	0.556	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.7	-177.2	-65	-66.6	171.2	0	0	115	F107 H114	F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.12Å; E109-H114 IonicContact OE1-CE1 2.73Å; E109-H114 PolarHBondContact OE1-CE1 3.06Å; E109-H114 IonicContact OE1-NE2 3.63Å; E109-H114 PolarHBondContact OE1-NE2 3.16Å; E109-H114 IonicContact OE2-CD2 3.01Å; E109-H114 IonicContact OE2-CE1 3.76Å; E109-H114 IonicContact OE2-NE2 2.83Å; E109-H114 PolarHBondContact OE2-NE2 3.46Å
110	K	95.4	Very high	96.7	Very high	202 Å²	202	60.3 Å²	60.3	88%	0.878	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-24.4	-179.4	-64.9	-178.2	-178.2	174.9	0	113	P108	P108-K110 PolarHBondContact O-N 3.1Å
111	D	94.2	Very high	96.7	Very high	86 Å²	86	60.3 Å²	60.3	46%	0.46	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-26.3	-168.8	-56.1	-57.7	0	0	0	112.4	P76 P108	P76-D111 HydrophobicContact CB-CB 4.17Å; P76-D111 HydrophobicContact CG-CB 4.05Å; P108-D111 HydrophobicContact CB-CB 4.26Å; P108-D111 PolarHBondContact O-N 2.81Å
112	L	97.2	Very high	96.7	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.052	32%	0.319	C	S	.	.			trans	-122.3	141.9	-176.4	-63.7	-174.7	0	0	0	112.5	W69 P76 L77 K78 F107 P108	W69-L112 HydrophobicContact CB-CD1 3.91Å; W69-L112 HydrophobicContact CD2-CD1 4.46Å; W69-L112 HydrophobicContact CE3-CD1 4.1Å; W69-L112 HydrophobicContact CG-CD1 4.44Å; P76-L112 HydrophobicContact CB-CD1 3.85Å; P76-L112 HydrophobicContact CB-CD2 3.86Å; P76-L112 HydrophobicContact CB-CG 3.7Å; L77-L112 WeakPolarHBondContact O-CD2 3.41Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.04Å; F107-L112 HydrophobicContact CE1-CB 3.85Å; F107-L112 HydrophobicContact CE2-CB 4.43Å; F107-L112 HydrophobicContact CE2-CD1 4.34Å; F107-L112 HydrophobicContact CZ-CB 3.6Å; F107-L112 HydrophobicContact CZ-CD1 4.31Å; P108-L112 HydrophobicContact CG-CB 4.37Å; P108-L112 HydrophobicContact CG-CD1 3.66Å; P108-L112 HydrophobicContact CG-CG 3.84Å; P108-L112 PolarHBondContact O-N 3.28Å
113	L	97.4	Very high	96.7	Very high	100 Å²	100	62.8 Å²	62.8	52%	0.524	34%	0.343	S	S	.	.			trans	-80.9	140.9	164.6	-57.5	178.8	0	0	0	108.7	W79	W79-L113 PolarHBondContact NE1-O 3.35Å
114	H	98.1	Very high	96.7	Very high	85 Å²	85	64.2 Å²	64.2	39%	0.394	35%	0.35	S	S	.	.			trans	-61	148.4	168	-69.6	-75.4	0	0	0	111.9	E67 F107 E109	E67-H114 IonicContact OE2-CE1 2.72Å; E67-H114 IonicContact OE2-CG 3.86Å; E67-H114 IonicContact OE2-ND1 2.71Å; E67-H114 PolarHBondContact OE2-ND1 3.32Å; F107-H114 AromaticContact CD1-CE1 3.69Å; F107-H114 AromaticContact CE1-CE1 3.77Å; F107-H114 AromaticContact CE1-ND1 3.75Å; F107-H114 AromaticContact CZ-ND1 3.94Å; E109-H114 IonicContact OE1-CE1 2.73Å; E109-H114 PolarHBondContact OE1-CE1 3.06Å; E109-H114 IonicContact OE1-NE2 3.63Å; E109-H114 PolarHBondContact OE1-NE2 3.16Å; E109-H114 IonicContact OE2-CD2 3.01Å; E109-H114 IonicContact OE2-CE1 3.76Å; E109-H114 IonicContact OE2-NE2 2.83Å; E109-H114 PolarHBondContact OE2-NE2 3.46Å
115	C	97.3	Very high	96.9	Very high	17 Å²	17	64.1 Å²	64.1	12%	0.115	35%	0.35	C	S	.	.			trans	-125.9	72	174.7	-173	0	0	0	0	110	T46 E67 W79 S117 I121	T46-C115 HydrophobicContact CG2-CB 4Å; T46-C115 PolarHBondContact OG1-SG 3.17Å; E67-C115 PolarHBondContact OE1-N 3.03Å; W79-C115 HydrophobicContact CD2-CB 3.94Å; W79-C115 HydrophobicContact CG-CB 4.1Å; W79-C115 HydrophobicContact CZ2-CB 4.17Å; C115-S117 VanDerWaalsContact C-N 3.26Å; C115-S117 PolarHBondContact O-N 2.82Å; C115-I121 VanDerWaalsContact SG-CG1 3.54Å
116	P	93.3	Very high	97.1	Very high	107 Å²	107	62.1 Å²	62.1	70%	0.695	34%	0.342	S	S	*	.			trans	-69.1	-21.6	-169.7	28.2	-36.5	0	0	0	113.8	A120	P116-A120 HydrophobicContact CG-CB 4.39Å
117	S	96.5	Very high	97.3	Very high	52 Å²	52	60 Å²	60	36%	0.364	33%	0.327	S	S	.	.	S	Bend	trans	-158.5	166	-176.9	71.1	0	0	0	0	112.3	C115 D119 A120	C115-S117 VanDerWaalsContact C-N 3.26Å; C115-S117 PolarHBondContact O-N 2.82Å; S117-D119 PolarHBondContact O-N 2.81Å; S117-D119 PolarHBondContact OG-N 3.25Å; S117-A120 WeakPolarHBondContact O-CB 3.15Å; S117-A120 PolarHBondContact O-N 3.33Å; S117-A120 PolarHBondContact OG-N 3.47Å
118	K	96.6	Very high	97.4	Very high	71 Å²	71	58.6 Å²	58.6	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-24.4	171.4	-64.1	-168.4	-179.6	-171.6	0	112.5	L47 D50 A120 I121 E122	L47-K118 HydrophobicContact CD1-CD 4.18Å; L47-K118 HydrophobicContact CD1-CG 4.49Å; D50-K118 IonicContact OD1-NZ 3.58Å; D50-K118 IonicContact OD2-NZ 3.55Å; D50-K118 PolarHBondContact OD2-NZ 3.11Å; K118-A120 VanDerWaalsContact C-N 3.29Å; K118-A120 PolarHBondContact O-N 2.53Å; K118-I121 WeakPolarHBondContact O-CB 3.37Å; K118-I121 PolarHBondContact O-N 3.3Å; K118-I121 VanDerWaalsContact O-N 3.17Å; K118-E122 PolarHBondContact O-N 3.16Å
119	D	97.8	Very high	97.5	Very high	114 Å²	114	57.7 Å²	57.7	61%	0.61	32%	0.315	S	S	*	.	H	α-helix	trans	-66.3	-32.5	175.1	-62.9	-18.4	0	0	0	111.6	S117 I121 E122 A123	S117-D119 PolarHBondContact O-N 2.81Å; S117-D119 PolarHBondContact OG-N 3.25Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-E122 PolarHBondContact O-N 3.2Å; D119-A123 VanDerWaalsContact O-CB 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 2.88Å
120	A	98.2	Very high	97.6	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-37.4	173	0	0	0	0	0	111.6	P116 S117 K118 H124	P116-A120 HydrophobicContact CG-CB 4.39Å; S117-A120 WeakPolarHBondContact O-CB 3.15Å; S117-A120 PolarHBondContact O-N 3.33Å; S117-A120 PolarHBondContact OG-N 3.47Å; K118-A120 VanDerWaalsContact C-N 3.29Å; K118-A120 PolarHBondContact O-N 2.53Å; A120-H124 WeakPolarHBondContact O-CB 3.45Å; A120-H124 PolarHBondContact O-N 3.02Å
121	I	98.6	Very high	97.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-46	175.5	-49	173.9	0	0	0	110.2	Y44 T46 L47 W79 C115 K118 D119 A123 H124 F125 W154	Y44-I121 HydrophobicContact CD2-CG2 3.69Å; Y44-I121 HydrophobicContact CE2-CG2 4.32Å; Y44-I121 HydrophobicContact CG-CG2 4.21Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.48Å; L47-I121 HydrophobicContact CB-CD1 4.05Å; L47-I121 HydrophobicContact CD1-CD1 4.27Å; L47-I121 HydrophobicContact CD2-CG2 4.43Å; W79-I121 HydrophobicContact CE3-CG1 4.3Å; W79-I121 HydrophobicContact CZ3-CB 4.25Å; W79-I121 HydrophobicContact CZ3-CG1 3.91Å; W79-I121 HydrophobicContact CZ3-CG2 4.3Å; C115-I121 VanDerWaalsContact SG-CG1 3.54Å; K118-I121 WeakPolarHBondContact O-CB 3.37Å; K118-I121 PolarHBondContact O-N 3.3Å; K118-I121 VanDerWaalsContact O-N 3.17Å; D119-I121 VanDerWaalsContact C-N 3.31Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.31Å; I121-H124 PolarHBondContact O-N 3.2Å; I121-F125 VanDerWaalsContact O-CB 3.29Å; I121-F125 WeakPolarHBondContact O-CB 3.47Å; I121-F125 PolarHBondContact O-N 3.1Å; I121-W154 HydrophobicContact CB-CH2 3.92Å; I121-W154 HydrophobicContact CB-CZ3 4.44Å; I121-W154 HydrophobicContact CG2-CH2 3.79Å; I121-W154 HydrophobicContact CG2-CZ3 3.98Å
122	E	98.8	Very high	98	Very high	25 Å²	25	45.9 Å²	45.9	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-43.6	175.7	-176.1	177.6	176	0	0	111.3	K118 D119 F125 M126 K151 W154	K118-E122 PolarHBondContact O-N 3.16Å; D119-E122 PolarHBondContact O-N 3.2Å; E122-F125 PolarHBondContact O-N 3.19Å; E122-M126 HydrophobicContact CG-CG 4.39Å; E122-M126 WeakPolarHBondContact O-CB 3.36Å; E122-M126 WeakPolarHBondContact O-CG 3.23Å; E122-M126 PolarHBondContact O-N 3.49Å; E122-K151 WeakPolarHBondContact OE1-CD 3.44Å; E122-K151 VanDerWaalsContact OE1-CE 3.26Å; E122-K151 WeakPolarHBondContact OE1-CE 3.42Å; E122-K151 IonicContact OE1-NZ 3.34Å; E122-K151 PolarHBondContact OE1-NZ 3.3Å; E122-K151 IonicContact OE2-NZ 3.26Å; E122-K151 PolarHBondContact OE2-NZ 3.03Å; E122-W154 HydrophobicContact CB-CD2 3.72Å; E122-W154 HydrophobicContact CB-CE3 3.94Å; E122-W154 HydrophobicContact CB-CG 4.23Å; E122-W154 HydrophobicContact CB-CH2 4.16Å; E122-W154 HydrophobicContact CB-CZ2 3.97Å; E122-W154 HydrophobicContact CB-CZ3 4.15Å; E122-W154 HydrophobicContact CG-CB 4.1Å; E122-W154 HydrophobicContact CG-CD2 3.62Å; E122-W154 HydrophobicContact CG-CE3 4.06Å; E122-W154 HydrophobicContact CG-CG 3.61Å
123	A	98.6	Very high	98.1	Very high	62 Å²	62	45.4 Å²	45.4	51%	0.512	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-45	177.8	0	0	0	0	0	112	D119 I121 S127	D119-A123 VanDerWaalsContact O-CB 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 2.88Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.31Å; A123-S127 WeakPolarHBondContact O-CB 3.5Å; A123-S127 PolarHBondContact O-N 3.34Å
124	H	98.8	Very high	98.1	Very high	42 Å²	42	42.6 Å²	42.6	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-51.5	174.8	172.7	69.1	0	0	0	111.4	W79 H80 A120 I121 M126 S127 C128	W79-H124 HydrophobicContact CH2-CB 4.05Å; W79-H124 HydrophobicContact CZ3-CB 4.27Å; H80-H124 PolarHBondContact O-NE2 2.92Å; A120-H124 WeakPolarHBondContact O-CB 3.45Å; A120-H124 PolarHBondContact O-N 3.02Å; I121-H124 PolarHBondContact O-N 3.2Å; H124-M126 PolarHBondContact O-N 2.91Å; H124-S127 WeakPolarHBondContact O-CA 3.44Å; H124-S127 VanDerWaalsContact O-CB 3.3Å; H124-S127 WeakPolarHBondContact O-CB 3.31Å; H124-S127 PolarHBondContact O-N 3.09Å; H124-C128 VanDerWaalsContact CE1-SG 3.55Å; H124-C128 PolarHBondContact O-N 2.87Å
125	F	98.8	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-50.6	178.4	172.8	-108.2	0	0	0	111.9	Y44 I121 E122 S127 C128 M129 L153 W154 L157 F165 P261 D262	Y44-F125 HydrophobicContact CE2-CB 4.32Å; Y44-F125 HydrophobicContact CE2-CD2 4.21Å; I121-F125 VanDerWaalsContact O-CB 3.29Å; I121-F125 WeakPolarHBondContact O-CB 3.47Å; I121-F125 PolarHBondContact O-N 3.1Å; E122-F125 PolarHBondContact O-N 3.19Å; F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.24Å; F125-C128 PolarHBondContact O-N 2.88Å; F125-M129 HydrophobicContact CD1-SD 4.28Å; F125-M129 HydrophobicContact CE1-CG 4.21Å; F125-M129 HydrophobicContact CE1-SD 3.41Å; F125-M129 WeakPolarHBondContact CE1-SD 3.38Å; F125-M129 HydrophobicContact CE2-CG 4.12Å; F125-M129 HydrophobicContact CE2-SD 4.06Å; F125-M129 HydrophobicContact CZ-CE 4.46Å; F125-M129 HydrophobicContact CZ-CG 3.91Å; F125-M129 HydrophobicContact CZ-SD 3.26Å; F125-M129 WeakPolarHBondContact CZ-SD 3.26Å; F125-M129 WeakPolarHBondContact O-CG 3.41Å; F125-M129 PolarHBondContact O-N 3.03Å; F125-L153 HydrophobicContact CE1-CB 4.33Å; F125-W154 HydrophobicContact CB-CE3 4.4Å; F125-W154 HydrophobicContact CB-CZ3 4.38Å; F125-W154 AromaticContact CD1-CE3 3.95Å; F125-W154 HydrophobicContact CD1-CE3 3.95Å; F125-W154 HydrophobicContact CG-CE3 4.33Å; F125-L157 HydrophobicContact CD2-CD2 3.64Å; F125-L157 HydrophobicContact CE2-CD2 3.66Å; F125-L157 HydrophobicContact CG-CD2 4.09Å; F125-L157 HydrophobicContact CZ-CD2 4.12Å; F125-F165 HydrophobicContact CZ-CE2 4.03Å; F125-P261 HydrophobicContact CE2-CB 4.01Å; F125-P261 WeakPolarHBondContact CE2-O 3.5Å; F125-P261 HydrophobicContact CZ-CB 4.48Å; F125-D262 HydrophobicContact CD2-CB 4.29Å; F125-D262 HydrophobicContact CE2-CB 4.31Å
126	M	98.6	Very high	98.2	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-29.3	178.5	-70.8	-54.7	-50.4	0	0	112.9	E122 H124 M129 K130 I142 H150	E122-M126 HydrophobicContact CG-CG 4.39Å; E122-M126 WeakPolarHBondContact O-CB 3.36Å; E122-M126 WeakPolarHBondContact O-CG 3.23Å; E122-M126 PolarHBondContact O-N 3.49Å; H124-M126 PolarHBondContact O-N 2.91Å; M126-M129 HydrophobicContact SD-SD 4.22Å; M126-K130 WeakPolarHBondContact O-CB 3.43Å; M126-K130 VanDerWaalsContact O-CG 3.26Å; M126-K130 WeakPolarHBondContact O-CG 3.4Å; M126-K130 PolarHBondContact O-N 2.86Å; M126-K130 VanDerWaalsContact O-N 3.08Å; M126-I142 HydrophobicContact CE-CD1 4.27Å; M126-H150 HydrophobicContact CE-CB 3.78Å; M126-H150 HydrophobicContact SD-CB 4.31Å
127	S	98.8	Very high	98.5	Very high	68 Å²	68	34.8 Å²	34.8	48%	0.476	20%	0.201	S	C	.	.	H	α-helix	trans	-64.6	-46.2	173.3	-169.9	0	0	0	0	110.9	A123 H124 F125 K130 E131	A123-S127 WeakPolarHBondContact O-CB 3.5Å; A123-S127 PolarHBondContact O-N 3.34Å; H124-S127 WeakPolarHBondContact O-CA 3.44Å; H124-S127 VanDerWaalsContact O-CB 3.3Å; H124-S127 WeakPolarHBondContact O-CB 3.31Å; H124-S127 PolarHBondContact O-N 3.09Å; F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.24Å; S127-K130 PolarHBondContact O-N 2.91Å; S127-E131 WeakPolarHBondContact O-CB 3.2Å; S127-E131 PolarHBondContact O-N 3.3Å
128	C	98.9	Very high	98.5	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-45.3	176.3	-66.5	0	0	0	0	111.7	H124 F125 K130 E131 A132 D262 F264	H124-C128 VanDerWaalsContact CE1-SG 3.55Å; H124-C128 PolarHBondContact O-N 2.87Å; F125-C128 PolarHBondContact O-N 2.88Å; C128-K130 VanDerWaalsContact C-N 3.3Å; C128-K130 PolarHBondContact O-N 3.48Å; C128-E131 WeakPolarHBondContact O-CB 3.33Å; C128-E131 PolarHBondContact O-N 2.92Å; C128-E131 VanDerWaalsContact O-N 3.15Å; C128-A132 PolarHBondContact O-N 3.26Å; C128-D262 HydrophobicContact CB-CB 3.8Å; C128-F264 HydrophobicContact CB-CD2 4.39Å; C128-F264 HydrophobicContact CB-CE2 4.35Å; C128-F264 WeakPolarHBondContact O-CE2 3.29Å
129	M	98.8	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-41.4	176.8	-67.2	-162.3	81.6	0	0	112.9	F125 M126 A132 D133 I142 L153 L172	F125-M129 HydrophobicContact CD1-SD 4.28Å; F125-M129 HydrophobicContact CE1-CG 4.21Å; F125-M129 HydrophobicContact CE1-SD 3.41Å; F125-M129 WeakPolarHBondContact CE1-SD 3.38Å; F125-M129 HydrophobicContact CE2-CG 4.12Å; F125-M129 HydrophobicContact CE2-SD 4.06Å; F125-M129 HydrophobicContact CZ-CE 4.46Å; F125-M129 HydrophobicContact CZ-CG 3.91Å; F125-M129 HydrophobicContact CZ-SD 3.26Å; F125-M129 WeakPolarHBondContact CZ-SD 3.26Å; F125-M129 WeakPolarHBondContact O-CG 3.41Å; F125-M129 PolarHBondContact O-N 3.03Å; M126-M129 HydrophobicContact SD-SD 4.22Å; M129-A132 PolarHBondContact O-N 3.05Å; M129-D133 WeakPolarHBondContact O-CB 3.39Å; M129-D133 PolarHBondContact O-N 2.86Å; M129-I142 HydrophobicContact CB-CD1 3.83Å; M129-L153 HydrophobicContact CE-CD1 3.74Å; M129-L153 HydrophobicContact CE-CD2 4.04Å; M129-L153 HydrophobicContact CE-CG 4.37Å; M129-L153 HydrophobicContact SD-CB 4.28Å; M129-L153 HydrophobicContact SD-CD1 3.92Å; M129-L172 HydrophobicContact CE-CD1 3.35Å
130	K	98.8	Very high	98.6	Very high	95 Å²	95	36.1 Å²	36.1	41%	0.413	20%	0.2	S	C	.	.	H	α-helix	trans	-66.4	-39.4	177.2	-75	172.7	-179.6	179.1	0	112.5	M126 S127 C128 D133 A134 I142	M126-K130 WeakPolarHBondContact O-CB 3.43Å; M126-K130 VanDerWaalsContact O-CG 3.26Å; M126-K130 WeakPolarHBondContact O-CG 3.4Å; M126-K130 PolarHBondContact O-N 2.86Å; M126-K130 VanDerWaalsContact O-N 3.08Å; S127-K130 PolarHBondContact O-N 2.91Å; C128-K130 VanDerWaalsContact C-N 3.3Å; C128-K130 PolarHBondContact O-N 3.48Å; K130-D133 PolarHBondContact O-N 3.08Å; K130-A134 WeakPolarHBondContact O-CB 3.41Å; K130-A134 PolarHBondContact O-N 2.96Å; K130-I142 HydrophobicContact CG-CD1 3.8Å; K130-I142 HydrophobicContact CG-CG1 4.45Å; K130-I142 HydrophobicContact CG-CG2 4.24Å
131	E	98.9	Very high	98.6	Very high	64 Å²	64	36.4 Å²	36.4	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-64	-45.1	174.9	-171.2	-171.4	158.1	0	0	111.1	S127 C128 D133 A134 L135 R188 Q200 F264	S127-E131 WeakPolarHBondContact O-CB 3.2Å; S127-E131 PolarHBondContact O-N 3.3Å; C128-E131 WeakPolarHBondContact O-CB 3.33Å; C128-E131 PolarHBondContact O-N 2.92Å; C128-E131 VanDerWaalsContact O-N 3.15Å; E131-D133 PolarHBondContact O-N 2.91Å; E131-A134 VanDerWaalsContact O-CB 3.31Å; E131-A134 WeakPolarHBondContact O-CB 3.05Å; E131-A134 PolarHBondContact O-N 3.42Å; E131-L135 PolarHBondContact O-N 3.41Å; E131-R188 IonicContact OE1-NH2 2.7Å; E131-R188 PolarHBondContact OE1-NH2 2.95Å; E131-R188 IonicContact OE2-NH2 3.37Å; E131-R188 PolarHBondContact OE2-NH2 3.05Å; E131-Q200 PolarHBondContact OE1-NE2 2.66Å; E131-Q200 PolarHBondContact OE1-OE1 3.34Å; E131-F264 HydrophobicContact CB-CE2 4.22Å; E131-F264 HydrophobicContact CB-CZ 4.2Å; E131-F264 HydrophobicContact CG-CE2 4.41Å; E131-F264 HydrophobicContact CG-CZ 3.9Å
132	A	98.9	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-44.9	175.8	0	0	0	0	0	111.6	C128 M129 A134 L135 K136 P186 N263 F264	C128-A132 PolarHBondContact O-N 3.26Å; M129-A132 PolarHBondContact O-N 3.05Å; A132-A134 VanDerWaalsContact C-N 3.3Å; A132-A134 PolarHBondContact O-N 3.44Å; A132-L135 WeakPolarHBondContact O-CB 3.47Å; A132-L135 PolarHBondContact O-N 2.7Å; A132-L135 VanDerWaalsContact O-N 3.16Å; A132-K136 WeakPolarHBondContact O-CG 3.45Å; A132-K136 PolarHBondContact O-N 3.41Å; A132-P186 HydrophobicContact CB-CB 3.83Å; A132-P186 HydrophobicContact CB-CG 3.87Å; A132-N263 HydrophobicContact CB-CB 3.55Å; A132-F264 HydrophobicContact CB-CD2 3.99Å; A132-F264 HydrophobicContact CB-CE2 3.76Å; A132-F264 HydrophobicContact CB-CZ 4.41Å
133	D	98.8	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-27.6	177.5	-161.1	61	0	0	0	112.9	M129 K130 E131 L135 K136 H137 K138 S139 V141 I142 L172	M129-D133 WeakPolarHBondContact O-CB 3.39Å; M129-D133 PolarHBondContact O-N 2.86Å; K130-D133 PolarHBondContact O-N 3.08Å; E131-D133 PolarHBondContact O-N 2.91Å; D133-L135 VanDerWaalsContact C-N 3.3Å; D133-L135 PolarHBondContact O-N 3.45Å; D133-K136 PolarHBondContact O-N 3.37Å; D133-H137 CarbonylContact O-C 3.59Å; D133-H137 WeakPolarHBondContact O-CA 3.43Å; D133-H137 PolarHBondContact O-N 3.05Å; D133-H137 IonicContact OD1-CE1 3.03Å; D133-H137 IonicContact OD1-CG 3.89Å; D133-H137 IonicContact OD1-ND1 3.44Å; D133-H137 PolarHBondContact OD1-ND1 3.05Å; D133-K138 PolarHBondContact O-N 3.31Å; D133-S139 PolarHBondContact O-N 3.41Å; D133-S139 WeakPolarHBondContact OD2-CA 3.25Å; D133-V141 PolarHBondContact OD2-N 3.23Å; D133-I142 HydrophobicContact CB-CB 3.94Å; D133-I142 HydrophobicContact CB-CG2 3.78Å; D133-I142 WeakPolarHBondContact OD2-CB 3.28Å; D133-I142 VanDerWaalsContact OD2-CG2 3.3Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.49Å; D133-I142 PolarHBondContact OD2-N 2.83Å; D133-L172 HydrophobicContact CB-CD2 4.33Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.37Å
134	A	98.8	Very high	98.5	Very high	42 Å²	42	45.4 Å²	45.4	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-41.6	169.9	0	0	0	0	0	111.5	K130 E131 A132 K138 S139	K130-A134 WeakPolarHBondContact O-CB 3.41Å; K130-A134 PolarHBondContact O-N 2.96Å; E131-A134 VanDerWaalsContact O-CB 3.31Å; E131-A134 WeakPolarHBondContact O-CB 3.05Å; E131-A134 PolarHBondContact O-N 3.42Å; A132-A134 VanDerWaalsContact C-N 3.3Å; A132-A134 PolarHBondContact O-N 3.44Å; A134-K138 VanDerWaalsContact O-CA 3.29Å; A134-K138 WeakPolarHBondContact O-CA 3.2Å; A134-K138 PolarHBondContact O-N 2.83Å; A134-K138 VanDerWaalsContact O-N 3.13Å; A134-S139 VanDerWaalsContact CA-OG 3.29Å; A134-S139 WeakPolarHBondContact CA-OG 3.34Å; A134-S139 VanDerWaalsContact CB-OG 3.29Å; A134-S139 WeakPolarHBondContact CB-OG 3.43Å
135	L	98.7	Very high	98.5	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-46.6	176.6	-65.5	172.8	0	0	0	111.7	E131 A132 D133 Y184 P186 L202 F264	E131-L135 PolarHBondContact O-N 3.41Å; A132-L135 WeakPolarHBondContact O-CB 3.47Å; A132-L135 PolarHBondContact O-N 2.7Å; A132-L135 VanDerWaalsContact O-N 3.16Å; D133-L135 VanDerWaalsContact C-N 3.3Å; D133-L135 PolarHBondContact O-N 3.45Å; L135-Y184 PolarHBondContact O-N 3.41Å; L135-P186 HydrophobicContact CB-CG 4.26Å; L135-P186 HydrophobicContact CD1-CB 3.97Å; L135-P186 HydrophobicContact CD1-CG 4.44Å; L135-L202 HydrophobicContact CD2-CD2 3.67Å; L135-F264 HydrophobicContact CD1-CE1 4.34Å; L135-F264 HydrophobicContact CD1-CZ 4.42Å
136	K	98.6	Very high	98.4	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	25%	0.253	C	S	.	.	H	α-helix	trans	-72.7	-47.2	-176.2	-65.6	-172.7	-72.3	-178.4	0	113.4	A132 D133 L172 M173 F182 R183 P186 N263	A132-K136 WeakPolarHBondContact O-CG 3.45Å; A132-K136 PolarHBondContact O-N 3.41Å; D133-K136 PolarHBondContact O-N 3.37Å; K136-L172 WeakPolarHBondContact CE-O 3.31Å; K136-L172 PolarHBondContact NZ-O 3.09Å; K136-M173 PolarHBondContact NZ-SD 2.83Å; K136-M173 VanDerWaalsContact NZ-SD 3.36Å; K136-F182 HydrophobicContact CB-CB 4.03Å; K136-F182 HydrophobicContact CB-CD1 4.04Å; K136-F182 HydrophobicContact CB-CG 3.98Å; K136-F182 HydrophobicContact CD-CB 4.5Å; K136-F182 HydrophobicContact CD-CD1 3.87Å; K136-F182 HydrophobicContact CD-CD2 3.56Å; K136-F182 HydrophobicContact CD-CE1 3.94Å; K136-F182 HydrophobicContact CD-CE2 3.63Å; K136-F182 HydrophobicContact CD-CG 3.71Å; K136-F182 HydrophobicContact CD-CZ 3.85Å; K136-F182 HydrophobicContact CG-CB 3.93Å; K136-F182 HydrophobicContact CG-CD1 4.09Å; K136-F182 HydrophobicContact CG-CD2 3.84Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.68Å; K136-R183 WeakPolarHBondContact O-CB 3.36Å; K136-R183 PolarHBondContact O-N 3.45Å; K136-P186 HydrophobicContact CD-CG 3.9Å; K136-P186 HydrophobicContact CG-CG 3.55Å; K136-N263 PolarHBondContact NZ-OD1 2.96Å
137	H	98.4	Very high	98.3	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-135.5	16.7	-165.1	-48.5	116.9	0	0	0	113.9	D133 S139 Q140 V141 L172 E174 F182	D133-H137 CarbonylContact O-C 3.59Å; D133-H137 WeakPolarHBondContact O-CA 3.43Å; D133-H137 PolarHBondContact O-N 3.05Å; D133-H137 IonicContact OD1-CE1 3.03Å; D133-H137 IonicContact OD1-CG 3.89Å; D133-H137 IonicContact OD1-ND1 3.44Å; D133-H137 PolarHBondContact OD1-ND1 3.05Å; H137-S139 PolarHBondContact O-N 3.48Å; H137-Q140 VanDerWaalsContact O-CB 3.31Å; H137-Q140 WeakPolarHBondContact O-CB 3.44Å; H137-Q140 VanDerWaalsContact O-CG 3.23Å; H137-Q140 WeakPolarHBondContact O-CG 3.43Å; H137-Q140 PolarHBondContact O-N 2.92Å; H137-Q140 PolarHBondContact O-OE1 2.83Å; H137-V141 HydrophobicContact CB-CG2 3.88Å; H137-L172 PolarHBondContact CE1-O 3.43Å; H137-E174 PolarHBondContact NE2-O 2.94Å; H137-E174 VanDerWaalsContact NE2-O 3.08Å; H137-F182 AromaticContact CE1-CD1 3.94Å; H137-F182 AromaticContact CE1-CE1 3.99Å; H137-F182 AromaticContact NE2-CD1 3.38Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.27Å; H137-F182 AromaticContact NE2-CE1 3.73Å
138	K	98.2	Very high	98.3	Very high	125 Å²	125	60 Å²	60	54%	0.543	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.5	-173.1	-52.7	169.2	-177.3	163.8	0	112.5	D133 A134 Q140 R183	D133-K138 PolarHBondContact O-N 3.31Å; A134-K138 VanDerWaalsContact O-CA 3.29Å; A134-K138 WeakPolarHBondContact O-CA 3.2Å; A134-K138 PolarHBondContact O-N 2.83Å; A134-K138 VanDerWaalsContact O-N 3.13Å; K138-Q140 PolarHBondContact O-N 2.98Å; K138-R183 VanDerWaalsContact CE-CZ 3.46Å; K138-R183 VanDerWaalsContact CG-NH1 3.29Å
139	S	98	Very high	98.3	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	12.6	-177.1	-48.9	0	0	0	0	114.9	D133 A134 H137 N143	D133-S139 PolarHBondContact O-N 3.41Å; D133-S139 WeakPolarHBondContact OD2-CA 3.25Å; A134-S139 VanDerWaalsContact CA-OG 3.29Å; A134-S139 WeakPolarHBondContact CA-OG 3.34Å; A134-S139 VanDerWaalsContact CB-OG 3.29Å; A134-S139 WeakPolarHBondContact CB-OG 3.43Å; H137-S139 PolarHBondContact O-N 3.48Å; S139-N143 WeakPolarHBondContact CB-ND2 3.42Å; S139-N143 WeakPolarHBondContact O-CB 3.45Å; S139-N143 PolarHBondContact O-N 2.8Å; S139-N143 PolarHBondContact O-ND2 3.06Å
140	Q	98.2	Very high	98.3	Very high	114 Å²	114	62.3 Å²	62.3	53%	0.533	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-50.8	-176.7	-71.8	175.7	-28.6	0	0	111.2	H137 K138 N143 E144	H137-Q140 VanDerWaalsContact O-CB 3.31Å; H137-Q140 WeakPolarHBondContact O-CB 3.44Å; H137-Q140 VanDerWaalsContact O-CG 3.23Å; H137-Q140 WeakPolarHBondContact O-CG 3.43Å; H137-Q140 PolarHBondContact O-N 2.92Å; H137-Q140 PolarHBondContact O-OE1 2.83Å; K138-Q140 PolarHBondContact O-N 2.98Å; Q140-N143 PolarHBondContact O-N 3.44Å; Q140-E144 WeakPolarHBondContact O-CB 3.34Å; Q140-E144 VanDerWaalsContact O-CG 3.31Å; Q140-E144 WeakPolarHBondContact O-CG 3.26Å; Q140-E144 PolarHBondContact O-N 3.49Å; Q140-E144 VanDerWaalsContact O-N 3.08Å
141	V	98.3	Very high	98.2	Very high	35 Å²	35	62.1 Å²	62.1	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-48.8	-174.3	-175.7	0	0	0	0	110.9	D133 H137 N143 E144 M145 K171 L172	D133-V141 PolarHBondContact OD2-N 3.23Å; H137-V141 HydrophobicContact CB-CG2 3.88Å; V141-N143 VanDerWaalsContact C-N 3.32Å; V141-N143 PolarHBondContact O-N 3.04Å; V141-E144 PolarHBondContact O-N 3.02Å; V141-M145 HydrophobicContact CG1-CE 3.96Å; V141-M145 WeakPolarHBondContact O-CG 3.29Å; V141-M145 PolarHBondContact O-N 2.96Å; V141-K171 HydrophobicContact CG1-CB 4.32Å; V141-L172 HydrophobicContact CB-CD2 4.12Å; V141-L172 HydrophobicContact CG1-CD2 3.83Å
142	I	97.9	Very high	98.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.1	-28.2	-176.5	-158.2	163	0	0	0	113.1	M126 M129 K130 D133 H150 L172	M126-I142 HydrophobicContact CE-CD1 4.27Å; M129-I142 HydrophobicContact CB-CD1 3.83Å; K130-I142 HydrophobicContact CG-CD1 3.8Å; K130-I142 HydrophobicContact CG-CG1 4.45Å; K130-I142 HydrophobicContact CG-CG2 4.24Å; D133-I142 HydrophobicContact CB-CB 3.94Å; D133-I142 HydrophobicContact CB-CG2 3.78Å; D133-I142 WeakPolarHBondContact OD2-CB 3.28Å; D133-I142 VanDerWaalsContact OD2-CG2 3.3Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.49Å; D133-I142 PolarHBondContact OD2-N 2.83Å; I142-H150 PolarHBondContact O-NE2 3.05Å; I142-L172 HydrophobicContact CB-CD2 4.06Å; I142-L172 HydrophobicContact CG1-CD2 4.48Å
143	N	97.7	Very high	98.2	Very high	113 Å²	113	61.9 Å²	61.9	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-80.3	-25.5	177.9	-72.1	-24	0	0	0	112.7	S139 Q140 V141 M145	S139-N143 WeakPolarHBondContact CB-ND2 3.42Å; S139-N143 WeakPolarHBondContact O-CB 3.45Å; S139-N143 PolarHBondContact O-N 2.8Å; S139-N143 PolarHBondContact O-ND2 3.06Å; Q140-N143 PolarHBondContact O-N 3.44Å; V141-N143 VanDerWaalsContact C-N 3.32Å; V141-N143 PolarHBondContact O-N 3.04Å; N143-M145 VanDerWaalsContact C-N 3.33Å
144	E	97.9	Very high	98.2	Very high	163 Å²	163	62.2 Å²	62.2	76%	0.762	30%	0.3	S	S	*	.	H	α-helix	trans	-77.7	-19.5	172.8	-73.8	176.2	-169.9	0	0	112.9	Q140 V141	Q140-E144 WeakPolarHBondContact O-CB 3.34Å; Q140-E144 VanDerWaalsContact O-CG 3.31Å; Q140-E144 WeakPolarHBondContact O-CG 3.26Å; Q140-E144 PolarHBondContact O-N 3.49Å; Q140-E144 VanDerWaalsContact O-N 3.08Å; V141-E144 PolarHBondContact O-N 3.02Å
145	M	97.8	Very high	98.2	Very high	19 Å²	19	63.8 Å²	63.8	9%	0.094	30%	0.301	C	S	.	.	S	Bend	trans	-65	146.5	175.3	-72.9	-173	-173.5	0	0	112.8	V141 N143 D149 L153 I168 K171 L172	V141-M145 HydrophobicContact CG1-CE 3.96Å; V141-M145 WeakPolarHBondContact O-CG 3.29Å; V141-M145 PolarHBondContact O-N 2.96Å; N143-M145 VanDerWaalsContact C-N 3.33Å; M145-D149 HydrophobicContact CB-CB 4.13Å; M145-D149 HydrophobicContact CG-CB 4.45Å; M145-D149 HydrophobicContact SD-CB 4.35Å; M145-L153 HydrophobicContact SD-CD1 4.44Å; M145-I168 HydrophobicContact CE-CG2 3.95Å; M145-I168 HydrophobicContact SD-CG2 3.74Å; M145-K171 HydrophobicContact CE-CB 3.84Å; M145-K171 HydrophobicContact CE-CD 4.18Å; M145-L172 HydrophobicContact CE-CD1 4.14Å; M145-L172 HydrophobicContact CE-CD2 3.76Å; M145-L172 HydrophobicContact CE-CG 3.59Å
146	Q	97.9	Very high	98.2	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.523	29%	0.294	S	S	.	.			trans	-77.1	154.1	174.4	-63.7	-176.3	-1.9	0	0	110.5	K148 D149 H150	Q146-K148 HydrophobicContact CB-CD 4.46Å; Q146-K148 HydrophobicContact CB-CG 4.04Å; Q146-K148 PolarHBondContact O-N 2.75Å; Q146-D149 PolarHBondContact N-OD2 2.75Å; Q146-D149 WeakPolarHBondContact O-CA 3.42Å; Q146-D149 VanDerWaalsContact O-CB 3.28Å; Q146-D149 WeakPolarHBondContact O-CB 3.36Å; Q146-D149 PolarHBondContact O-N 3.16Å; Q146-H150 PolarHBondContact O-N 2.72Å
147	K	97	Very high	98.2	Very high	169 Å²	169	62.8 Å²	62.8	74%	0.735	30%	0.296	S	S	*	.	H	α-helix	trans	-54.5	-30.1	176.8	-171.3	175.4	-178.6	178.2	0	113.5	D149 H150 K151	K147-D149 VanDerWaalsContact C-N 3.3Å; K147-H150 PolarHBondContact O-N 3.17Å; K147-K151 PolarHBondContact O-N 3.15Å; K147-K151 VanDerWaalsContact O-N 3.07Å
148	K	97.9	Very high	98.2	Very high	133 Å²	133	64.8 Å²	64.8	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-66.7	-31.9	175.1	77	-170.4	-170.1	-163	0	112.4	Q146 K151 Q152	Q146-K148 HydrophobicContact CB-CD 4.46Å; Q146-K148 HydrophobicContact CB-CG 4.04Å; Q146-K148 PolarHBondContact O-N 2.75Å; K148-K151 PolarHBondContact O-N 2.92Å; K148-Q152 WeakPolarHBondContact O-CB 3.45Å; K148-Q152 PolarHBondContact O-N 2.94Å
149	D	98.4	Very high	98.2	Very high	17 Å²	17	62.6 Å²	62.6	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-72.4	-41.4	179.1	-55.5	-24.5	0	0	0	109.5	M145 Q146 K147 K151 Q152 L153 I168	M145-D149 HydrophobicContact CB-CB 4.13Å; M145-D149 HydrophobicContact CG-CB 4.45Å; M145-D149 HydrophobicContact SD-CB 4.35Å; Q146-D149 PolarHBondContact N-OD2 2.75Å; Q146-D149 WeakPolarHBondContact O-CA 3.42Å; Q146-D149 VanDerWaalsContact O-CB 3.28Å; Q146-D149 WeakPolarHBondContact O-CB 3.36Å; Q146-D149 PolarHBondContact O-N 3.16Å; K147-D149 VanDerWaalsContact C-N 3.3Å; D149-K151 PolarHBondContact O-N 3.25Å; D149-Q152 WeakPolarHBondContact O-CB 3.2Å; D149-Q152 PolarHBondContact O-N 3.32Å; D149-Q152 VanDerWaalsContact O-N 3.14Å; D149-L153 PolarHBondContact O-N 3.17Å; D149-I168 HydrophobicContact CB-CD1 4.17Å; D149-I168 HydrophobicContact CB-CG2 4.02Å
150	H	98.4	Very high	98.3	Very high	36 Å²	36	64.4 Å²	64.4	17%	0.167	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-46.1	171.1	-61.1	172.1	0	0	0	111.5	M126 I142 Q146 K147 Q152 L153 W154	M126-H150 HydrophobicContact CE-CB 3.78Å; M126-H150 HydrophobicContact SD-CB 4.31Å; I142-H150 PolarHBondContact O-NE2 3.05Å; Q146-H150 PolarHBondContact O-N 2.72Å; K147-H150 PolarHBondContact O-N 3.17Å; H150-Q152 VanDerWaalsContact C-N 3.29Å; H150-Q152 PolarHBondContact O-N 3.44Å; H150-L153 PolarHBondContact O-N 2.98Å; H150-W154 PolarHBondContact O-N 3.41Å; H150-W154 VanDerWaalsContact O-N 3.15Å
151	K	98.3	Very high	98.3	Very high	92 Å²	92	66.1 Å²	66.1	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-34.9	174.9	-79.5	-70.6	-179.4	-170	0	112.4	E122 K147 K148 D149 W154 M155	E122-K151 WeakPolarHBondContact OE1-CD 3.44Å; E122-K151 VanDerWaalsContact OE1-CE 3.26Å; E122-K151 WeakPolarHBondContact OE1-CE 3.42Å; E122-K151 IonicContact OE1-NZ 3.34Å; E122-K151 PolarHBondContact OE1-NZ 3.3Å; E122-K151 IonicContact OE2-NZ 3.26Å; E122-K151 PolarHBondContact OE2-NZ 3.03Å; K147-K151 PolarHBondContact O-N 3.15Å; K147-K151 VanDerWaalsContact O-N 3.07Å; K148-K151 PolarHBondContact O-N 2.92Å; D149-K151 PolarHBondContact O-N 3.25Å; K151-W154 PolarHBondContact O-N 3.41Å; K151-M155 WeakPolarHBondContact O-CB 3.28Å; K151-M155 WeakPolarHBondContact O-CG 3.47Å; K151-M155 PolarHBondContact O-N 3.34Å
152	Q	98.7	Very high	98.3	Very high	58 Å²	58	64.9 Å²	64.9	27%	0.271	30%	0.3	S	S	.	.	H	α-helix	trans	-68.7	-38.5	177.3	-177.9	172.9	-32.3	0	0	112.4	K148 D149 H150 G156 Q164 I168	K148-Q152 WeakPolarHBondContact O-CB 3.45Å; K148-Q152 PolarHBondContact O-N 2.94Å; D149-Q152 WeakPolarHBondContact O-CB 3.2Å; D149-Q152 PolarHBondContact O-N 3.32Å; D149-Q152 VanDerWaalsContact O-N 3.14Å; H150-Q152 VanDerWaalsContact C-N 3.29Å; H150-Q152 PolarHBondContact O-N 3.44Å; Q152-G156 PolarHBondContact O-N 3.35Å; Q152-Q164 HydrophobicContact CG-CG 3.61Å; Q152-Q164 PolarHBondContact NE2-O 3.31Å; Q152-I168 HydrophobicContact CB-CG1 4.05Å; Q152-I168 HydrophobicContact CG-CG1 3.85Å
153	L	98.8	Very high	98.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-51.9	171.6	-71.3	162.7	0	0	0	110.7	F125 M129 M145 D149 H150 M155 G156 L157 F165 I168 N169 L172	F125-L153 HydrophobicContact CE1-CB 4.33Å; M129-L153 HydrophobicContact CE-CD1 3.74Å; M129-L153 HydrophobicContact CE-CD2 4.04Å; M129-L153 HydrophobicContact CE-CG 4.37Å; M129-L153 HydrophobicContact SD-CB 4.28Å; M129-L153 HydrophobicContact SD-CD1 3.92Å; M145-L153 HydrophobicContact SD-CD1 4.44Å; D149-L153 PolarHBondContact O-N 3.17Å; H150-L153 PolarHBondContact O-N 2.98Å; L153-M155 PolarHBondContact O-N 3.45Å; L153-G156 PolarHBondContact O-N 3.2Å; L153-L157 PolarHBondContact O-N 2.99Å; L153-L157 VanDerWaalsContact O-N 3.1Å; L153-F165 HydrophobicContact CB-CD2 4.44Å; L153-F165 HydrophobicContact CB-CE2 4.3Å; L153-F165 HydrophobicContact CD2-CD2 3.89Å; L153-F165 HydrophobicContact CD2-CE2 3.63Å; L153-F165 HydrophobicContact CD2-CZ 4.15Å; L153-F165 WeakPolarHBondContact O-CD2 3.26Å; L153-I168 HydrophobicContact CD1-CG2 3.78Å; L153-I168 HydrophobicContact CD2-CB 3.79Å; L153-I168 HydrophobicContact CD2-CG2 3.85Å; L153-I168 HydrophobicContact CG-CB 3.94Å; L153-I168 HydrophobicContact CG-CG2 3.65Å; L153-N169 HydrophobicContact CD2-CB 3.89Å; L153-L172 HydrophobicContact CD1-CD1 4.3Å
154	W	98.8	Very high	98.4	Very high	8 Å²	8	67.3 Å²	67.3	3%	0.03	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-49.8	177.5	169.2	-112.2	0	0	0	112.7	L47 I121 E122 F125 H150 K151 G156 L157 Q158	L47-W154 HydrophobicContact CD1-CH2 3.71Å; L47-W154 HydrophobicContact CD1-CZ2 4.04Å; L47-W154 HydrophobicContact CD2-CH2 3.76Å; L47-W154 HydrophobicContact CD2-CZ3 4.02Å; L47-W154 HydrophobicContact CG-CH2 4.4Å; I121-W154 HydrophobicContact CB-CH2 3.92Å; I121-W154 HydrophobicContact CB-CZ3 4.44Å; I121-W154 HydrophobicContact CG2-CH2 3.79Å; I121-W154 HydrophobicContact CG2-CZ3 3.98Å; E122-W154 HydrophobicContact CB-CD2 3.72Å; E122-W154 HydrophobicContact CB-CE3 3.94Å; E122-W154 HydrophobicContact CB-CG 4.23Å; E122-W154 HydrophobicContact CB-CH2 4.16Å; E122-W154 HydrophobicContact CB-CZ2 3.97Å; E122-W154 HydrophobicContact CB-CZ3 4.15Å; E122-W154 HydrophobicContact CG-CB 4.1Å; E122-W154 HydrophobicContact CG-CD2 3.62Å; E122-W154 HydrophobicContact CG-CE3 4.06Å; E122-W154 HydrophobicContact CG-CG 3.61Å; F125-W154 HydrophobicContact CB-CE3 4.4Å; F125-W154 HydrophobicContact CB-CZ3 4.38Å; F125-W154 AromaticContact CD1-CE3 3.95Å; F125-W154 HydrophobicContact CD1-CE3 3.95Å; F125-W154 HydrophobicContact CG-CE3 4.33Å; H150-W154 PolarHBondContact O-N 3.41Å; H150-W154 VanDerWaalsContact O-N 3.15Å; K151-W154 PolarHBondContact O-N 3.41Å; W154-G156 VanDerWaalsContact C-N 3.26Å; W154-G156 PolarHBondContact O-N 2.88Å; W154-L157 HydrophobicContact CZ3-CD2 4.4Å; W154-L157 PolarHBondContact O-N 3.32Å; W154-Q158 HydrophobicContact CZ2-CB 4.26Å; W154-Q158 HydrophobicContact CZ2-CG 4.41Å; W154-Q158 WeakPolarHBondContact O-CB 3.38Å; W154-Q158 PolarHBondContact O-N 3.14Å
155	M	98.6	Very high	98.4	Very high	74 Å²	74	59.6 Å²	59.6	37%	0.365	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-32	179.7	-72	-63.3	-72.6	0	0	112.4	K151 L153 N159	K151-M155 WeakPolarHBondContact O-CB 3.28Å; K151-M155 WeakPolarHBondContact O-CG 3.47Å; K151-M155 PolarHBondContact O-N 3.34Å; L153-M155 PolarHBondContact O-N 3.45Å; M155-N159 WeakPolarHBondContact CE-ND2 3.47Å; M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 PolarHBondContact O-N 2.87Å; M155-N159 VanDerWaalsContact O-N 3.12Å; M155-N159 PolarHBondContact O-ND2 3.48Å
156	G	98.8	Very high	98.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-48.4	172.9	0	0	0	0	0	111.7	W12 Q152 L153 W154 D160 R161	W12-G156 WeakPolarHBondContact CZ2-O 3.35Å; Q152-G156 PolarHBondContact O-N 3.35Å; L153-G156 PolarHBondContact O-N 3.2Å; W154-G156 VanDerWaalsContact C-N 3.26Å; W154-G156 PolarHBondContact O-N 2.88Å; G156-D160 PolarHBondContact O-N 3.13Å; G156-R161 PolarHBondContact O-N 3.43Å
157	L	98.7	Very high	98.5	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-52.5	175.7	177.5	63.3	0	0	0	112.1	Y44 L47 F125 L153 W154 N159 D160 P261	Y44-L157 HydrophobicContact CD2-CD2 4.44Å; Y44-L157 HydrophobicContact CE2-CD2 3.99Å; L47-L157 HydrophobicContact CD2-CG 4.47Å; F125-L157 HydrophobicContact CD2-CD2 3.64Å; F125-L157 HydrophobicContact CE2-CD2 3.66Å; F125-L157 HydrophobicContact CG-CD2 4.09Å; F125-L157 HydrophobicContact CZ-CD2 4.12Å; L153-L157 PolarHBondContact O-N 2.99Å; L153-L157 VanDerWaalsContact O-N 3.1Å; W154-L157 HydrophobicContact CZ3-CD2 4.4Å; W154-L157 PolarHBondContact O-N 3.32Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.4Å; L157-D160 PolarHBondContact O-N 3.48Å; L157-P261 HydrophobicContact CD1-CB 4.12Å; L157-P261 HydrophobicContact CD1-CG 3.99Å
158	Q	98.4	Very high	98.5	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-35.6	-174.4	178.2	176.5	33.1	0	0	113	L47 W154	L47-Q158 HydrophobicContact CD1-CG 4.11Å; W154-Q158 HydrophobicContact CZ2-CB 4.26Å; W154-Q158 HydrophobicContact CZ2-CG 4.41Å; W154-Q158 WeakPolarHBondContact O-CB 3.38Å; W154-Q158 PolarHBondContact O-N 3.14Å
159	N	98.3	Very high	98.6	Very high	80 Å²	80	43 Å²	43	43%	0.428	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.2	-175.4	-56.1	-65.2	0	0	0	113.2	M155 L157 R161	M155-N159 WeakPolarHBondContact CE-ND2 3.47Å; M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 PolarHBondContact O-N 2.87Å; M155-N159 VanDerWaalsContact O-N 3.12Å; M155-N159 PolarHBondContact O-ND2 3.48Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.4Å; N159-R161 VanDerWaalsContact C-N 3.29Å; N159-R161 HydrophobicContact CB-CG 3.89Å; N159-R161 WeakPolarHBondContact O-CG 3.37Å; N159-R161 PolarHBondContact O-N 3.34Å
160	D	98.4	Very high	98.6	Very high	63 Å²	63	49.3 Å²	49.3	34%	0.337	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	42.1	180	-166.9	26.4	0	0	0	112.9	W12 R15 G156 L157	W12-D160 PolarHBondContact NE1-OD1 3.15Å; R15-D160 IonicContact CZ-OD2 3.97Å; R15-D160 IonicContact NH2-OD1 3.94Å; R15-D160 PolarHBondContact NH2-OD1 2.96Å; R15-D160 IonicContact NH2-OD2 3.71Å; R15-D160 PolarHBondContact NH2-OD2 3.07Å; G156-D160 PolarHBondContact O-N 3.13Å; L157-D160 PolarHBondContact O-N 3.48Å
161	R	98.8	Very high	98.5	Very high	151 Å²	151	51.4 Å²	51.4	57%	0.57	24%	0.239	S	C	*	.			trans	-104.7	84.2	-176.8	-60	-61.6	-66.9	-89.8	-2.6	111.1	G156 N159 D163 Q164 F165	G156-R161 PolarHBondContact O-N 3.43Å; N159-R161 VanDerWaalsContact C-N 3.29Å; N159-R161 HydrophobicContact CB-CG 3.89Å; N159-R161 WeakPolarHBondContact O-CG 3.37Å; N159-R161 PolarHBondContact O-N 3.34Å; R161-D163 PolarHBondContact O-N 3.49Å; R161-Q164 HydrophobicContact CB-CB 3.7Å; R161-Q164 WeakPolarHBondContact O-CB 3.4Å; R161-Q164 PolarHBondContact O-N 2.74Å; R161-Q164 VanDerWaalsContact O-N 3.13Å; R161-F165 PolarHBondContact O-N 2.74Å
162	F	98.7	Very high	98.5	Very high	8 Å²	8	47 Å²	47	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-45.6	-57.1	178.7	175.6	-92.8	0	0	0	113.8	L8 R9 W12 F13 Q164 F165 W166	L8-F162 HydrophobicContact CB-CE2 3.93Å; L8-F162 HydrophobicContact CB-CZ 4.01Å; R9-F162 HydrophobicContact CB-CE2 4.46Å; R9-F162 HydrophobicContact CG-CD1 4.27Å; R9-F162 HydrophobicContact CG-CD2 4.26Å; R9-F162 HydrophobicContact CG-CE1 3.8Å; R9-F162 HydrophobicContact CG-CE2 3.76Å; R9-F162 HydrophobicContact CG-CZ 3.52Å; R9-F162 VanDerWaalsContact NH1-CD1 3.32Å; W12-F162 HydrophobicContact CB-CD2 3.71Å; W12-F162 HydrophobicContact CB-CE2 4.24Å; W12-F162 HydrophobicContact CD2-CB 4.29Å; W12-F162 AromaticContact CD2-CD2 3.98Å; W12-F162 HydrophobicContact CD2-CD2 3.98Å; W12-F162 HydrophobicContact CE3-CD2 4.43Å; W12-F162 HydrophobicContact CG-CB 4.18Å; W12-F162 AromaticContact CG-CD2 3.63Å; W12-F162 HydrophobicContact CG-CD2 3.63Å; W12-F162 HydrophobicContact CG-CG 4.4Å; F13-F162 HydrophobicContact CE2-CB 4.07Å; F13-F162 HydrophobicContact CE2-CG 4.36Å; F13-F162 HydrophobicContact CZ-CB 3.81Å; F162-Q164 VanDerWaalsContact C-N 3.28Å; F162-Q164 PolarHBondContact O-N 2.82Å; F162-F165 PolarHBondContact O-N 3.04Å; F162-W166 AromaticContact CD2-CD1 3.38Å; F162-W166 AromaticContact CD2-NE1 3.71Å; F162-W166 AromaticContact CE2-CD1 3.15Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.3Å; F162-W166 VanDerWaalsContact CE2-NE1 3.3Å; F162-W166 AromaticContact CG-CD1 3.98Å; F162-W166 AromaticContact CZ-CD1 3.57Å; F162-W166 HydrophobicContact CZ-CG 4.13Å; F162-W166 PolarHBondContact O-N 2.92Å
163	D	98.4	Very high	98.5	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-66.3	-32.6	-175.2	-60.4	-55.9	0	0	0	112.2	R161 A167	R161-D163 PolarHBondContact O-N 3.49Å; D163-A167 VanDerWaalsContact O-CB 3.23Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 3.41Å
164	Q	98.6	Very high	98.4	Very high	62 Å²	62	50.7 Å²	50.7	29%	0.29	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-43.3	176.5	-178.5	178.4	13.3	0	0	111	Q152 R161 F162	Q152-Q164 HydrophobicContact CG-CG 3.61Å; Q152-Q164 PolarHBondContact NE2-O 3.31Å; R161-Q164 HydrophobicContact CB-CB 3.7Å; R161-Q164 WeakPolarHBondContact O-CB 3.4Å; R161-Q164 PolarHBondContact O-N 2.74Å; R161-Q164 VanDerWaalsContact O-N 3.13Å; F162-Q164 VanDerWaalsContact C-N 3.28Å; F162-Q164 PolarHBondContact O-N 2.82Å
165	F	98.8	Very high	98.3	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-55.2	177.3	-179.9	-98.4	0	0	0	111.3	W12 F125 L153 R161 F162 A167 I168 N169 P261	W12-F165 HydrophobicContact CE3-CD1 4.15Å; W12-F165 HydrophobicContact CH2-CB 3.53Å; W12-F165 AromaticContact CH2-CD1 4Å; W12-F165 HydrophobicContact CH2-CD1 4Å; W12-F165 HydrophobicContact CH2-CD2 4.07Å; W12-F165 AromaticContact CH2-CG 3.59Å; W12-F165 HydrophobicContact CH2-CG 3.59Å; W12-F165 HydrophobicContact CZ2-CB 4.37Å; W12-F165 HydrophobicContact CZ3-CB 3.8Å; W12-F165 AromaticContact CZ3-CD1 3.35Å; W12-F165 HydrophobicContact CZ3-CD1 3.35Å; W12-F165 HydrophobicContact CZ3-CD2 4.08Å; W12-F165 AromaticContact CZ3-CE1 3.91Å; W12-F165 HydrophobicContact CZ3-CE1 3.91Å; W12-F165 AromaticContact CZ3-CG 3.45Å; W12-F165 HydrophobicContact CZ3-CG 3.45Å; W12-F165 VanDerWaalsContact CZ3-CG 3.45Å; F125-F165 HydrophobicContact CZ-CE2 4.03Å; L153-F165 HydrophobicContact CB-CD2 4.44Å; L153-F165 HydrophobicContact CB-CE2 4.3Å; L153-F165 HydrophobicContact CD2-CD2 3.89Å; L153-F165 HydrophobicContact CD2-CE2 3.63Å; L153-F165 HydrophobicContact CD2-CZ 4.15Å; L153-F165 WeakPolarHBondContact O-CD2 3.26Å; R161-F165 PolarHBondContact O-N 2.74Å; F162-F165 PolarHBondContact O-N 3.04Å; F165-A167 VanDerWaalsContact C-N 3.29Å; F165-A167 PolarHBondContact O-N 3.24Å; F165-I168 PolarHBondContact O-N 2.99Å; F165-I168 VanDerWaalsContact O-N 3.09Å; F165-N169 HydrophobicContact CD1-CB 3.82Å; F165-N169 HydrophobicContact CE1-CB 3.41Å; F165-N169 VanDerWaalsContact CE1-CB 3.41Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.28Å; F165-N169 HydrophobicContact CE2-CB 4.48Å; F165-N169 HydrophobicContact CZ-CB 3.77Å; F165-N169 PolarHBondContact O-N 2.81Å; F165-P261 HydrophobicContact CE1-CB 4.23Å; F165-P261 HydrophobicContact CE2-CB 3.96Å; F165-P261 HydrophobicContact CZ-CB 3.65Å; F165-P261 WeakPolarHBondContact CZ-O 3.47Å
166	W	98.5	Very high	97.9	Very high	36 Å²	36	54 Å²	54	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-20.9	-174.3	-80.8	103	0	0	0	114.3	L8 F162 I168 N169 R170 M173	L8-W166 HydrophobicContact CB-CZ2 4.46Å; L8-W166 HydrophobicContact CD1-CD2 4.27Å; L8-W166 HydrophobicContact CD1-CE3 4.23Å; L8-W166 HydrophobicContact CD1-CH2 4.09Å; L8-W166 HydrophobicContact CD1-CZ2 4.15Å; L8-W166 HydrophobicContact CD1-CZ3 4.13Å; L8-W166 HydrophobicContact CD2-CH2 3.61Å; L8-W166 HydrophobicContact CD2-CZ2 3.57Å; L8-W166 HydrophobicContact CD2-CZ3 4.42Å; L8-W166 HydrophobicContact CG-CH2 4.44Å; L8-W166 HydrophobicContact CG-CZ2 4.28Å; F162-W166 AromaticContact CD2-CD1 3.38Å; F162-W166 AromaticContact CD2-NE1 3.71Å; F162-W166 AromaticContact CE2-CD1 3.15Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.3Å; F162-W166 VanDerWaalsContact CE2-NE1 3.3Å; F162-W166 AromaticContact CG-CD1 3.98Å; F162-W166 AromaticContact CZ-CD1 3.57Å; F162-W166 HydrophobicContact CZ-CG 4.13Å; F162-W166 PolarHBondContact O-N 2.92Å; W166-I168 PolarHBondContact O-N 3.46Å; W166-N169 HydrophobicContact CD2-CB 4.34Å; W166-N169 HydrophobicContact CE3-CB 4Å; W166-N169 VanDerWaalsContact CH2-ND2 3.28Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.45Å; W166-N169 HydrophobicContact CZ3-CB 4.38Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.42Å; W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 VanDerWaalsContact O-CG 3.26Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.82Å; W166-R170 VanDerWaalsContact O-N 3.16Å; W166-M173 HydrophobicContact CH2-CG 4.38Å; W166-M173 HydrophobicContact CZ3-CG 3.98Å
167	A	98.4	Very high	97.3	Very high	38 Å²	38	58.9 Å²	58.9	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-56.5	-31.2	169.6	0	0	0	0	0	112.8	D163 F165 R170	D163-A167 VanDerWaalsContact O-CB 3.23Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 3.41Å; F165-A167 VanDerWaalsContact C-N 3.29Å; F165-A167 PolarHBondContact O-N 3.24Å; A167-R170 PolarHBondContact O-NE 3.4Å; A167-R170 VanDerWaalsContact O-NE 3.13Å
168	I	98.6	Very high	96.8	Very high	9 Å²	9	66 Å²	66	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-99.5	-47.5	175.6	-53.1	-56.6	0	0	0	111.1	M145 D149 Q152 L153 F165 W166 R170 K171	M145-I168 HydrophobicContact CE-CG2 3.95Å; M145-I168 HydrophobicContact SD-CG2 3.74Å; D149-I168 HydrophobicContact CB-CD1 4.17Å; D149-I168 HydrophobicContact CB-CG2 4.02Å; Q152-I168 HydrophobicContact CB-CG1 4.05Å; Q152-I168 HydrophobicContact CG-CG1 3.85Å; L153-I168 HydrophobicContact CD1-CG2 3.78Å; L153-I168 HydrophobicContact CD2-CB 3.79Å; L153-I168 HydrophobicContact CD2-CG2 3.85Å; L153-I168 HydrophobicContact CG-CB 3.94Å; L153-I168 HydrophobicContact CG-CG2 3.65Å; F165-I168 PolarHBondContact O-N 2.99Å; F165-I168 VanDerWaalsContact O-N 3.09Å; W166-I168 PolarHBondContact O-N 3.46Å; I168-R170 PolarHBondContact O-N 3.43Å; I168-R170 VanDerWaalsContact O-N 3.15Å; I168-K171 WeakPolarHBondContact O-CB 3.31Å; I168-K171 PolarHBondContact O-N 2.9Å
169	N	98.6	Very high	96.4	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-29	-172.8	-165.8	61	0	0	0	113.4	L153 F165 W166 K171 L172 M173 N263	L153-N169 HydrophobicContact CD2-CB 3.89Å; F165-N169 HydrophobicContact CD1-CB 3.82Å; F165-N169 HydrophobicContact CE1-CB 3.41Å; F165-N169 VanDerWaalsContact CE1-CB 3.41Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.28Å; F165-N169 HydrophobicContact CE2-CB 4.48Å; F165-N169 HydrophobicContact CZ-CB 3.77Å; F165-N169 PolarHBondContact O-N 2.81Å; W166-N169 HydrophobicContact CD2-CB 4.34Å; W166-N169 HydrophobicContact CE3-CB 4Å; W166-N169 VanDerWaalsContact CH2-ND2 3.28Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.45Å; W166-N169 HydrophobicContact CZ3-CB 4.38Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.42Å; N169-K171 PolarHBondContact O-N 3.38Å; N169-L172 WeakPolarHBondContact O-CA 3.26Å; N169-L172 WeakPolarHBondContact O-CB 3.38Å; N169-L172 PolarHBondContact O-N 3.32Å; N169-M173 PolarHBondContact O-N 2.98Å; N169-N263 PolarHBondContact OD1-ND2 3.46Å
170	R	98	Very high	96.1	Very high	149 Å²	149	69.2 Å²	69.2	56%	0.562	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-53.7	-35.5	174.7	67	-173.8	175.4	151.9	3.1	113.3	W166 A167 I168 L172 M173 E174	W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 VanDerWaalsContact O-CG 3.26Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.82Å; W166-R170 VanDerWaalsContact O-N 3.16Å; A167-R170 PolarHBondContact O-NE 3.4Å; A167-R170 VanDerWaalsContact O-NE 3.13Å; I168-R170 PolarHBondContact O-N 3.43Å; I168-R170 VanDerWaalsContact O-N 3.15Å; R170-L172 VanDerWaalsContact C-N 3.25Å; R170-L172 PolarHBondContact O-N 3.47Å; R170-M173 CarbonylContact O-C 3.49Å; R170-M173 PolarHBondContact O-N 3.34Å; R170-E174 WeakPolarHBondContact O-CG 3.4Å; R170-E174 PolarHBondContact O-N 2.97Å
171	K	98.1	Very high	96	Very high	81 Å²	81	66.4 Å²	66.4	35%	0.352	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.8	-33.4	177.1	-60.3	179.9	179.9	-178.8	0	112	V141 M145 I168 N169 M173	V141-K171 HydrophobicContact CG1-CB 4.32Å; M145-K171 HydrophobicContact CE-CB 3.84Å; M145-K171 HydrophobicContact CE-CD 4.18Å; I168-K171 WeakPolarHBondContact O-CB 3.31Å; I168-K171 PolarHBondContact O-N 2.9Å; N169-K171 PolarHBondContact O-N 3.38Å; K171-M173 PolarHBondContact O-N 2.89Å
172	L	98.4	Very high	96	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-77.8	-10	176.5	-63.4	165.4	0	0	0	112.1	M129 D133 K136 H137 V141 I142 M145 L153 N169 R170 N263	M129-L172 HydrophobicContact CE-CD1 3.35Å; D133-L172 HydrophobicContact CB-CD2 4.33Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.37Å; K136-L172 WeakPolarHBondContact CE-O 3.31Å; K136-L172 PolarHBondContact NZ-O 3.09Å; H137-L172 PolarHBondContact CE1-O 3.43Å; V141-L172 HydrophobicContact CB-CD2 4.12Å; V141-L172 HydrophobicContact CG1-CD2 3.83Å; I142-L172 HydrophobicContact CB-CD2 4.06Å; I142-L172 HydrophobicContact CG1-CD2 4.48Å; M145-L172 HydrophobicContact CE-CD1 4.14Å; M145-L172 HydrophobicContact CE-CD2 3.76Å; M145-L172 HydrophobicContact CE-CG 3.59Å; L153-L172 HydrophobicContact CD1-CD1 4.3Å; N169-L172 WeakPolarHBondContact O-CA 3.26Å; N169-L172 WeakPolarHBondContact O-CB 3.38Å; N169-L172 PolarHBondContact O-N 3.32Å; R170-L172 VanDerWaalsContact C-N 3.25Å; R170-L172 PolarHBondContact O-N 3.47Å; L172-N263 WeakPolarHBondContact CB-OD1 3.44Å
173	M	98.3	Very high	96	Very high	18 Å²	18	64.1 Å²	64.1	9%	0.089	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-104.4	-2.6	176	-59.1	-53.3	177	0	0	112.6	K136 W166 N169 R170 K171 F182 N263	K136-M173 PolarHBondContact NZ-SD 2.83Å; K136-M173 VanDerWaalsContact NZ-SD 3.36Å; W166-M173 HydrophobicContact CH2-CG 4.38Å; W166-M173 HydrophobicContact CZ3-CG 3.98Å; N169-M173 PolarHBondContact O-N 2.98Å; R170-M173 CarbonylContact O-C 3.49Å; R170-M173 PolarHBondContact O-N 3.34Å; K171-M173 PolarHBondContact O-N 2.89Å; M173-F182 HydrophobicContact CB-CZ 4.41Å; M173-F182 WeakPolarHBondContact O-CE1 3.36Å; M173-F182 HydrophobicContact SD-CE2 4.45Å; M173-F182 HydrophobicContact SD-CZ 4.01Å; M173-N263 HydrophobicContact CE-CB 4.24Å; M173-N263 VanDerWaalsContact CE-CG 3.49Å; M173-N263 WeakPolarHBondContact CE-OD1 3.19Å
174	E	96.5	Very high	96	Very high	116 Å²	116	61 Å²	61	54%	0.542	30%	0.301	S	S	.	.			trans	-82.9	149.7	171.4	-71.8	164.2	-161.6	0	0	110.3	H137 R170	H137-E174 PolarHBondContact NE2-O 2.94Å; H137-E174 VanDerWaalsContact NE2-O 3.08Å; R170-E174 WeakPolarHBondContact O-CG 3.4Å; R170-E174 PolarHBondContact O-N 2.97Å
175	Y	95.6	Very high	96	Very high	91 Å²	91	58.1 Å²	58.1	36%	0.357	29%	0.287	S	S	.	.			trans	-137.8	162.8	175.1	49.3	-93.2	0	0	0	110	E179 F182 E256	Y175-E179 WeakPolarHBondContact CD2-O 3.33Å; Y175-E179 VanDerWaalsContact CE2-O 3.32Å; Y175-E179 WeakPolarHBondContact CE2-O 3.42Å; Y175-F182 HydrophobicContact CD1-CD1 4.12Å; Y175-F182 AromaticContact CD1-CE1 3.87Å; Y175-F182 HydrophobicContact CD1-CE1 3.87Å; Y175-E256 VanDerWaalsContact CE1-OE1 3.31Å; Y175-E256 WeakPolarHBondContact CE1-OE1 3.35Å
176	P	91.4	Very high	96	Very high	60 Å²	60	58.1 Å²	58.1	39%	0.39	29%	0.287	S	S	.	.			trans	-57.3	145.3	-177.3	-23.9	34.3	0	0	0	112.7	E178 E179	P176-E178 HydrophobicContact CB-CG 4.23Å; P176-E178 PolarHBondContact O-N 3.15Å; P176-E179 HydrophobicContact CB-CG 4.18Å; P176-E179 HydrophobicContact CG-CG 4.36Å; P176-E179 PolarHBondContact O-N 3.38Å
177	A	85.1	Confident	96	Very high	104 Å²	104	56.4 Å²	56.4	86%	0.86	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.7	-174.3	0	0	0	0	0	113.5	E179	A177-E179 VanDerWaalsContact C-N 3.29Å
178	E	89.4	Confident	96	Very high	156 Å²	156	55.7 Å²	55.7	73%	0.729	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.4	173.8	61.9	-88.5	-157.3	0	0	113.8	P176	P176-E178 HydrophobicContact CB-CG 4.23Å; P176-E178 PolarHBondContact O-N 3.15Å
179	E	90	Very high	96	Very high	110 Å²	110	55.3 Å²	55.3	51%	0.514	27%	0.268	S	S	.	.	S	Bend	trans	-105.9	151.4	179.2	-62.5	-71.3	172.5	0	0	110.6	Y175 P176 A177	Y175-E179 WeakPolarHBondContact CD2-O 3.33Å; Y175-E179 VanDerWaalsContact CE2-O 3.32Å; Y175-E179 WeakPolarHBondContact CE2-O 3.42Å; P176-E179 HydrophobicContact CB-CG 4.18Å; P176-E179 HydrophobicContact CG-CG 4.36Å; P176-E179 PolarHBondContact O-N 3.38Å; A177-E179 VanDerWaalsContact C-N 3.29Å
180	N	92.3	Very high	96	Very high	96 Å²	96	55.4 Å²	55.4	51%	0.513	27%	0.269	S	S	.	.	S	Bend	trans	-100.5	19.3	176.6	-68.1	-34.5	0	0	0	112.8	V206	N180-V206 HydrophobicContact CB-CG1 4.43Å; N180-V206 HydrophobicContact CB-CG2 4.01Å
181	G	96.1	Very high	95.8	Very high	4 Å²	4	49.3 Å²	49.3	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	165.2	-172.6	177.5	0	0	0	0	0	113.8	Q252	G181-Q252 VanDerWaalsContact CA-CD 3.47Å
182	F	98.3	Very high	95.1	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.035	25%	0.252	C	S	.	.			trans	-67.6	161.8	177.4	-56.8	-44.3	0	0	0	112.4	K136 H137 M173 Y175 Y184 I185 P205 Q252 E256	K136-F182 HydrophobicContact CB-CB 4.03Å; K136-F182 HydrophobicContact CB-CD1 4.04Å; K136-F182 HydrophobicContact CB-CG 3.98Å; K136-F182 HydrophobicContact CD-CB 4.5Å; K136-F182 HydrophobicContact CD-CD1 3.87Å; K136-F182 HydrophobicContact CD-CD2 3.56Å; K136-F182 HydrophobicContact CD-CE1 3.94Å; K136-F182 HydrophobicContact CD-CE2 3.63Å; K136-F182 HydrophobicContact CD-CG 3.71Å; K136-F182 HydrophobicContact CD-CZ 3.85Å; K136-F182 HydrophobicContact CG-CB 3.93Å; K136-F182 HydrophobicContact CG-CD1 4.09Å; K136-F182 HydrophobicContact CG-CD2 3.84Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.68Å; H137-F182 AromaticContact CE1-CD1 3.94Å; H137-F182 AromaticContact CE1-CE1 3.99Å; H137-F182 AromaticContact NE2-CD1 3.38Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.27Å; H137-F182 AromaticContact NE2-CE1 3.73Å; M173-F182 HydrophobicContact CB-CZ 4.41Å; M173-F182 WeakPolarHBondContact O-CE1 3.36Å; M173-F182 HydrophobicContact SD-CE2 4.45Å; M173-F182 HydrophobicContact SD-CZ 4.01Å; Y175-F182 HydrophobicContact CD1-CD1 4.12Å; Y175-F182 AromaticContact CD1-CE1 3.87Å; Y175-F182 HydrophobicContact CD1-CE1 3.87Å; F182-Y184 PolarHBondContact O-N 3.04Å; F182-I185 HydrophobicContact CB-CD1 4.49Å; F182-I185 HydrophobicContact CD2-CD1 3.94Å; F182-P205 WeakPolarHBondContact O-CD 3.39Å; F182-P205 WeakPolarHBondContact O-CG 3.48Å; F182-Q252 VanDerWaalsContact CD2-NE2 3.31Å; F182-E256 HydrophobicContact CE2-CG 4.18Å; F182-E256 HydrophobicContact CZ-CG 3.98Å
183	R	98	Very high	94.2	Very high	104 Å²	104	54.9 Å²	54.9	39%	0.392	29%	0.288	S	S	.	.	S	Bend	trans	-62.2	-46.3	174.7	-174.6	-176.6	-174.3	-167.9	2.7	112.4	K136 K138 R204	K136-R183 WeakPolarHBondContact O-CB 3.36Å; K136-R183 PolarHBondContact O-N 3.45Å; K138-R183 VanDerWaalsContact CE-CZ 3.46Å; K138-R183 VanDerWaalsContact CG-NH1 3.29Å; R183-R204 PolarHBondContact O-NH1 3.24Å
184	Y	98.8	Very high	93.1	Very high	38 Å²	38	56.6 Å²	56.6	15%	0.149	30%	0.299	C	S	.	.	S	Bend	trans	-143.1	151	172.6	-60.6	-68.4	0	0	0	109.5	L135 F182 P186 L202 F203 R204	L135-Y184 PolarHBondContact O-N 3.41Å; F182-Y184 PolarHBondContact O-N 3.04Å; Y184-P186 WeakPolarHBondContact O-CD 3.42Å; Y184-L202 HydrophobicContact CD1-CB 3.92Å; Y184-L202 HydrophobicContact CD1-CD2 4.4Å; Y184-L202 HydrophobicContact CD2-CD2 3.93Å; Y184-L202 HydrophobicContact CE1-CB 3.86Å; Y184-L202 HydrophobicContact CE1-CD1 4.45Å; Y184-L202 HydrophobicContact CE2-CD1 4.28Å; Y184-L202 HydrophobicContact CE2-CD2 4.13Å; Y184-L202 HydrophobicContact CG-CB 4.42Å; Y184-L202 HydrophobicContact CG-CD2 4.06Å; Y184-F203 VanDerWaalsContact CA-O 3.3Å; Y184-F203 WeakPolarHBondContact CA-O 3.4Å; Y184-R204 HydrophobicContact CD1-CG 3.81Å; Y184-R204 HydrophobicContact CE1-CG 3.7Å
185	I	98.8	Very high	92.2	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.32	C	S	.	.			trans	-82.2	125.4	176.5	-62.6	-54.6	0	0	0	110.5	F182 F187 F203 P205 L251	F182-I185 HydrophobicContact CB-CD1 4.49Å; F182-I185 HydrophobicContact CD2-CD1 3.94Å; I185-F187 HydrophobicContact CB-CD1 4.47Å; I185-F187 HydrophobicContact CG2-CB 4.28Å; I185-F187 HydrophobicContact CG2-CD1 4.28Å; I185-F187 WeakPolarHBondContact O-CD1 3.45Å; I185-F187 PolarHBondContact O-N 3.37Å; I185-F203 PolarHBondContact N-O 3.48Å; I185-P205 HydrophobicContact CD1-CB 3.69Å; I185-P205 HydrophobicContact CD1-CG 3.84Å; I185-P205 HydrophobicContact CG1-CB 3.89Å; I185-P205 HydrophobicContact CG1-CG 4.19Å; I185-L251 HydrophobicContact CB-CD2 4.22Å; I185-L251 HydrophobicContact CG1-CD2 3.75Å; I185-L251 HydrophobicContact CG1-CG 3.96Å; I185-L251 HydrophobicContact CG2-CD1 4.47Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; I185-L251 HydrophobicContact CG2-CG 4.22Å
186	P	98.9	Very high	91.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.			trans	-75.5	105.7	168.6	-10.3	27.4	0	0	0	109.7	A132 L135 K136 Y184 N263 F264 L265	A132-P186 HydrophobicContact CB-CB 3.83Å; A132-P186 HydrophobicContact CB-CG 3.87Å; L135-P186 HydrophobicContact CB-CG 4.26Å; L135-P186 HydrophobicContact CD1-CB 3.97Å; L135-P186 HydrophobicContact CD1-CG 4.44Å; K136-P186 HydrophobicContact CD-CG 3.9Å; K136-P186 HydrophobicContact CG-CG 3.55Å; Y184-P186 WeakPolarHBondContact O-CD 3.42Å; P186-N263 WeakPolarHBondContact CB-O 3.14Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CE1 3.91Å; P186-F264 HydrophobicContact CB-CG 4.17Å; P186-F264 HydrophobicContact CB-CZ 4.28Å; P186-L265 PolarHBondContact O-N 3.41Å
187	F	98.9	Very high	91.8	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.1	176.6	73.6	-88.9	0	0	0	111.4	I185 I189 Q200 K201 F203 L218 V222 L265	I185-F187 HydrophobicContact CB-CD1 4.47Å; I185-F187 HydrophobicContact CG2-CB 4.28Å; I185-F187 HydrophobicContact CG2-CD1 4.28Å; I185-F187 WeakPolarHBondContact O-CD1 3.45Å; I185-F187 PolarHBondContact O-N 3.37Å; F187-I189 HydrophobicContact CD2-CD1 4.01Å; F187-I189 HydrophobicContact CD2-CG1 3.98Å; F187-I189 HydrophobicContact CE2-CD1 3.83Å; F187-I189 HydrophobicContact CE2-CG1 4.23Å; F187-Q200 WeakPolarHBondContact O-CG 3.4Å; F187-K201 WeakPolarHBondContact CE1-O 3.38Å; F187-K201 HydrophobicContact CZ-CB 4.28Å; F187-F203 HydrophobicContact CE1-CB 3.8Å; F187-L218 HydrophobicContact CD1-CD1 4.08Å; F187-L218 HydrophobicContact CD1-CD2 4.41Å; F187-L218 HydrophobicContact CD2-CD1 4.47Å; F187-L218 HydrophobicContact CD2-CD2 4.31Å; F187-L218 HydrophobicContact CE1-CD1 3.67Å; F187-L218 HydrophobicContact CE2-CD1 4.09Å; F187-L218 HydrophobicContact CG-CD1 4.47Å; F187-L218 HydrophobicContact CG-CD2 4.19Å; F187-L218 HydrophobicContact CZ-CD1 3.68Å; F187-V222 HydrophobicContact CE2-CG2 3.96Å; F187-V222 HydrophobicContact CZ-CG1 4.19Å; F187-V222 HydrophobicContact CZ-CG2 4.13Å; F187-L265 CarbonylContact C-O 3.51Å; F187-L265 VanDerWaalsContact CA-O 3.27Å; F187-L265 WeakPolarHBondContact CA-O 3.44Å; F187-L265 HydrophobicContact CB-CB 4.12Å
188	R	98.8	Very high	92.4	Very high	22 Å²	22	61.6 Å²	61.6	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127.5	167.8	-69.7	178.2	178.1	153.3	2.1	108.8	E131 Y190 F198 I199 Q200 F264 L265 I267	E131-R188 IonicContact OE1-NH2 2.7Å; E131-R188 PolarHBondContact OE1-NH2 2.95Å; E131-R188 IonicContact OE2-NH2 3.37Å; E131-R188 PolarHBondContact OE2-NH2 3.05Å; R188-Y190 HydrophobicContact CB-CD2 4.38Å; R188-Y190 HydrophobicContact CB-CE2 3.45Å; R188-Y190 VanDerWaalsContact CB-CE2 3.45Å; R188-Y190 WeakPolarHBondContact CB-OH 3.34Å; R188-Y190 VanDerWaalsContact CD-OH 3.23Å; R188-Y190 WeakPolarHBondContact CD-OH 3.43Å; R188-Y190 WeakPolarHBondContact O-CD2 3.27Å; R188-Y190 WeakPolarHBondContact O-CE2 3.43Å; R188-F198 HydrophobicContact CB-CB 4.27Å; R188-F198 HydrophobicContact CB-CD2 4.11Å; R188-F198 HydrophobicContact CB-CG 4.26Å; R188-F198 HydrophobicContact CG-CD2 3.71Å; R188-F198 HydrophobicContact CG-CE2 3.97Å; R188-F198 HydrophobicContact CG-CG 4.25Å; R188-I199 WeakPolarHBondContact CA-O 3.48Å; R188-Q200 HydrophobicContact CG-CB 4.41Å; R188-F264 HydrophobicContact CG-CD1 4Å; R188-F264 HydrophobicContact CG-CE1 4.24Å; R188-L265 PolarHBondContact N-O 3.04Å; R188-I267 PolarHBondContact O-N 3.13Å
189	I	98.6	Very high	92.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	176.8	-66.4	160.9	0	0	0	109.2	F187 F198 I199 L219 V222 C223 I267 I269	F187-I189 HydrophobicContact CD2-CD1 4.01Å; F187-I189 HydrophobicContact CD2-CG1 3.98Å; F187-I189 HydrophobicContact CE2-CD1 3.83Å; F187-I189 HydrophobicContact CE2-CG1 4.23Å; I189-F198 CarbonylContact O-C 3.44Å; I189-F198 WeakPolarHBondContact O-CA 3.23Å; I189-F198 WeakPolarHBondContact O-CB 3.34Å; I189-I199 HydrophobicContact CB-CB 4.27Å; I189-I199 PolarHBondContact N-O 3.26Å; I189-I199 PolarHBondContact O-N 2.99Å; I189-L219 HydrophobicContact CD1-CD2 4.03Å; I189-V222 HydrophobicContact CD1-CG2 3.37Å; I189-C223 HydrophobicContact CD1-CB 4.15Å; I189-I267 CarbonylContact C-O 3.52Å; I189-I267 WeakPolarHBondContact CA-O 3.23Å; I189-I267 HydrophobicContact CG1-CB 4.09Å; I189-I267 HydrophobicContact CG1-CD1 4.03Å; I189-I267 HydrophobicContact CG1-CG1 4.5Å; I189-I269 HydrophobicContact CG2-CD1 4.33Å; I189-I269 HydrophobicContact CG2-CG1 3.59Å
190	Y	97.8	Very high	93.1	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.1	-174.9	-59.3	-91.7	0	0	0	110.6	Y81 L85 R188 F198 H266 I267 I269	Y81-Y190 HydrophobicContact CD2-CE1 4.12Å; Y81-Y190 AromaticContact CE2-CD1 3.84Å; Y81-Y190 HydrophobicContact CE2-CD1 3.84Å; Y81-Y190 AromaticContact CE2-CE1 3.41Å; Y81-Y190 HydrophobicContact CE2-CE1 3.41Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.41Å; Y81-Y190 AromaticContact CZ-CE1 3.75Å; L85-Y190 HydrophobicContact CD1-CD2 3.53Å; L85-Y190 HydrophobicContact CD1-CE2 3.87Å; L85-Y190 HydrophobicContact CD1-CG 3.88Å; L85-Y190 HydrophobicContact CD2-CD1 4.28Å; L85-Y190 HydrophobicContact CD2-CD2 4.04Å; L85-Y190 HydrophobicContact CD2-CE1 3.83Å; L85-Y190 HydrophobicContact CD2-CE2 3.58Å; L85-Y190 HydrophobicContact CD2-CG 4.38Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.45Å; L85-Y190 HydrophobicContact CG-CD2 4.42Å; L85-Y190 HydrophobicContact CG-CE2 4.38Å; R188-Y190 HydrophobicContact CB-CD2 4.38Å; R188-Y190 HydrophobicContact CB-CE2 3.45Å; R188-Y190 VanDerWaalsContact CB-CE2 3.45Å; R188-Y190 WeakPolarHBondContact CB-OH 3.34Å; R188-Y190 VanDerWaalsContact CD-OH 3.23Å; R188-Y190 WeakPolarHBondContact CD-OH 3.43Å; R188-Y190 WeakPolarHBondContact O-CD2 3.27Å; R188-Y190 WeakPolarHBondContact O-CE2 3.43Å; Y190-F198 HydrophobicContact CD1-CB 3.78Å; Y190-F198 HydrophobicContact CE1-CB 3.67Å; Y190-F198 AromaticContact CE1-CD1 3.85Å; Y190-F198 HydrophobicContact CE1-CD1 3.85Å; Y190-F198 HydrophobicContact CE1-CG 4.07Å; Y190-F198 HydrophobicContact CG-CB 4.35Å; Y190-H266 HydrophobicContact CE2-CB 3.88Å; Y190-H266 AromaticContact CE2-ND1 3.51Å; Y190-H266 AromaticContact CZ-ND1 3.7Å; Y190-H266 PolarHBondContact OH-ND1 3.19Å; Y190-I267 PolarHBondContact N-O 3.5Å; Y190-I269 PolarHBondContact O-N 3.19Å
191	Q	93.6	Very high	93.4	Very high	21 Å²	21	52.9 Å²	52.9	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	124.5	177.9	-83.6	176.5	-10.3	0	0	109.1	T193 T194 C223 I269	Q191-T193 PolarHBondContact O-N 2.72Å; Q191-T194 HydrophobicContact CB-CG2 3.82Å; Q191-T194 PolarHBondContact O-N 3Å; Q191-T194 PolarHBondContact O-OG1 2.93Å; Q191-T194 VanDerWaalsContact O-OG1 3.09Å; Q191-T194 VanDerWaalsContact OE1-CG2 3.29Å; Q191-C223 PolarHBondContact NE2-SG 2.81Å; Q191-I269 HydrophobicContact CG-CB 3.64Å; Q191-I269 HydrophobicContact CG-CG1 4.14Å; Q191-I269 HydrophobicContact CG-CG2 4.24Å
192	T	84.8	Confident	93.5	Very high	78 Å²	78	58 Å²	58	48%	0.479	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.8	177.3	48.6	0	0	0	0	112.6	L89 L90 T194	L89-T192 HydrophobicContact CD1-CG2 3.82Å; L89-T192 HydrophobicContact CG-CG2 3.83Å; L90-T192 HydrophobicContact CD2-CG2 4.35Å; T192-T194 VanDerWaalsContact C-N 3.31Å; T192-T194 PolarHBondContact O-N 2.99Å
193	T	77.8	Confident	93.5	Very high	120 Å²	120	58.4 Å²	58.4	74%	0.736	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.4	-178.2	58.3	0	0	0	0	114.1	Q191	Q191-T193 PolarHBondContact O-N 2.72Å
194	T	76.3	Confident	93.5	Very high	54 Å²	54	59.3 Å²	59.3	33%	0.331	29%	0.29	S	S	.	.	S	Bend	trans	-106.2	140.1	-176.6	61.4	0	0	0	0	111.8	Q191 T192 R196	Q191-T194 HydrophobicContact CB-CG2 3.82Å; Q191-T194 PolarHBondContact O-N 3Å; Q191-T194 PolarHBondContact O-OG1 2.93Å; Q191-T194 VanDerWaalsContact O-OG1 3.09Å; Q191-T194 VanDerWaalsContact OE1-CG2 3.29Å; T192-T194 VanDerWaalsContact C-N 3.31Å; T192-T194 PolarHBondContact O-N 2.99Å; T194-R196 PolarHBondContact O-N 2.6Å; T194-R196 PolarHBondContact OG1-O 3.07Å
195	E	78.1	Confident	93.5	Very high	209 Å²	209	57.6 Å²	57.6	98%	0.977	28%	0.284	S	S	*	.	S	Bend	trans	-65.7	-23.5	174.9	-63.7	179.6	178.7	0	0	113
196	R	87	Confident	93.4	Very high	130 Å²	130	59.1 Å²	59.1	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-77.3	135.8	178.8	-173.7	177	173.2	175.9	-1.5	109.9	T194 F198	T194-R196 PolarHBondContact O-N 2.6Å; T194-R196 PolarHBondContact OG1-O 3.07Å; R196-F198 VanDerWaalsContact C-N 3.33Å; R196-F198 WeakPolarHBondContact CD-O 3.49Å; R196-F198 WeakPolarHBondContact CG-O 3.31Å; R196-F198 PolarHBondContact NE-O 3.46Å; R196-F198 PolarHBondContact O-N 2.89Å
197	P	90.6	Very high	93.2	Very high	88 Å²	88	60.4 Å²	60.4	57%	0.571	30%	0.303	S	S	*	.	S	Bend	trans	-57.5	-41.2	-179.7	-27.2	34.4	0	0	0	114.4
198	F	96.9	Very high	92.9	Very high	48 Å²	48	66 Å²	66	21%	0.211	35%	0.35	C	S	.	.			trans	-166.5	158.6	175.8	51.9	-94.9	0	0	0	111.3	R188 I189 Y190 R196 Q200	R188-F198 HydrophobicContact CB-CB 4.27Å; R188-F198 HydrophobicContact CB-CD2 4.11Å; R188-F198 HydrophobicContact CB-CG 4.26Å; R188-F198 HydrophobicContact CG-CD2 3.71Å; R188-F198 HydrophobicContact CG-CE2 3.97Å; R188-F198 HydrophobicContact CG-CG 4.25Å; I189-F198 CarbonylContact O-C 3.44Å; I189-F198 WeakPolarHBondContact O-CA 3.23Å; I189-F198 WeakPolarHBondContact O-CB 3.34Å; Y190-F198 HydrophobicContact CD1-CB 3.78Å; Y190-F198 HydrophobicContact CE1-CB 3.67Å; Y190-F198 AromaticContact CE1-CD1 3.85Å; Y190-F198 HydrophobicContact CE1-CD1 3.85Å; Y190-F198 HydrophobicContact CE1-CG 4.07Å; Y190-F198 HydrophobicContact CG-CB 4.35Å; R196-F198 VanDerWaalsContact C-N 3.33Å; R196-F198 WeakPolarHBondContact CD-O 3.49Å; R196-F198 WeakPolarHBondContact CG-O 3.31Å; R196-F198 PolarHBondContact NE-O 3.46Å; R196-F198 PolarHBondContact O-N 2.89Å; F198-Q200 HydrophobicContact CD2-CB 4.06Å; F198-Q200 HydrophobicContact CE2-CB 4.09Å
199	I	97.5	Very high	92.6	Very high	28 Å²	28	70.1 Å²	70.1	14%	0.144	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-93.2	126.1	170.5	-55.8	170.4	0	0	0	108.9	R188 I189 K201 V222 C223	R188-I199 WeakPolarHBondContact CA-O 3.48Å; I189-I199 HydrophobicContact CB-CB 4.27Å; I189-I199 PolarHBondContact N-O 3.26Å; I189-I199 PolarHBondContact O-N 2.99Å; I199-K201 HydrophobicContact CG2-CG 4.39Å; I199-V222 HydrophobicContact CG2-CB 4.43Å; I199-C223 HydrophobicContact CD1-CB 4.32Å
200	Q	98.1	Very high	92.2	Very high	44 Å²	44	71.7 Å²	71.7	21%	0.206	39%	0.391	C	S	.	.			trans	-137.9	125.5	171.1	-179.3	175.8	-34.2	0	0	107.5	E131 F187 R188 F198	E131-Q200 PolarHBondContact OE1-NE2 2.66Å; E131-Q200 PolarHBondContact OE1-OE1 3.34Å; F187-Q200 WeakPolarHBondContact O-CG 3.4Å; R188-Q200 HydrophobicContact CG-CB 4.41Å; F198-Q200 HydrophobicContact CD2-CB 4.06Å; F198-Q200 HydrophobicContact CE2-CB 4.09Å
201	K	98.1	Very high	92.1	Very high	108 Å²	108	77.8 Å²	77.8	47%	0.47	42%	0.419	S	S	.	.			trans	-140.4	165.1	179.7	-69.7	-173.1	179.5	176.6	0	109.3	F187 I199 F203 V222	F187-K201 WeakPolarHBondContact CE1-O 3.38Å; F187-K201 HydrophobicContact CZ-CB 4.28Å; I199-K201 HydrophobicContact CG2-CG 4.39Å; K201-F203 PolarHBondContact O-N 3.19Å; K201-V222 HydrophobicContact CB-CG1 4.28Å; K201-V222 HydrophobicContact CD-CB 4.21Å; K201-V222 HydrophobicContact CD-CG1 4.06Å
202	L	98.6	Very high	92.3	Very high	110 Å²	110	80.7 Å²	80.7	58%	0.576	44%	0.435	S	S	*	.			trans	-75.1	121	170.9	-61.4	-179.3	0	0	0	109.1	L135 Y184	L135-L202 HydrophobicContact CD2-CD2 3.67Å; Y184-L202 HydrophobicContact CD1-CB 3.92Å; Y184-L202 HydrophobicContact CD1-CD2 4.4Å; Y184-L202 HydrophobicContact CD2-CD2 3.93Å; Y184-L202 HydrophobicContact CE1-CB 3.86Å; Y184-L202 HydrophobicContact CE1-CD1 4.45Å; Y184-L202 HydrophobicContact CE2-CD1 4.28Å; Y184-L202 HydrophobicContact CE2-CD2 4.13Å; Y184-L202 HydrophobicContact CG-CB 4.42Å; Y184-L202 HydrophobicContact CG-CD2 4.06Å
203	F	98.6	Very high	92.9	Very high	18 Å²	18	79.2 Å²	79.2	8%	0.079	42%	0.423	C	S	.	.			trans	-137.2	129.5	175.8	-169.5	-87.4	0	0	0	109.4	Y184 I185 F187 K201 H213 D217 L218 E221 V222 L251	Y184-F203 VanDerWaalsContact CA-O 3.3Å; Y184-F203 WeakPolarHBondContact CA-O 3.4Å; I185-F203 PolarHBondContact N-O 3.48Å; F187-F203 HydrophobicContact CE1-CB 3.8Å; K201-F203 PolarHBondContact O-N 3.19Å; F203-H213 HydrophobicContact CE1-CB 3.69Å; F203-H213 AromaticContact CE1-CG 3.87Å; F203-H213 AromaticContact CE1-ND1 3.55Å; F203-H213 HydrophobicContact CZ-CB 3.98Å; F203-H213 AromaticContact CZ-CG 3.84Å; F203-H213 AromaticContact CZ-ND1 3.6Å; F203-D217 HydrophobicContact CZ-CB 4.22Å; F203-L218 HydrophobicContact CB-CD1 3.89Å; F203-L218 HydrophobicContact CD1-CD1 3.93Å; F203-L218 HydrophobicContact CD2-CD1 3.78Å; F203-L218 HydrophobicContact CE1-CB 4.22Å; F203-L218 HydrophobicContact CE1-CD1 4.42Å; F203-L218 HydrophobicContact CE2-CB 4.48Å; F203-L218 HydrophobicContact CE2-CD1 4.29Å; F203-L218 HydrophobicContact CG-CD1 3.58Å; F203-L218 HydrophobicContact CZ-CB 4.2Å; F203-E221 HydrophobicContact CD2-CB 4.32Å; F203-E221 HydrophobicContact CD2-CG 4.18Å; F203-E221 HydrophobicContact CE2-CB 3.89Å; F203-E221 HydrophobicContact CE2-CG 4.1Å; F203-V222 HydrophobicContact CD2-CG1 4.41Å; F203-L251 HydrophobicContact CD1-CD2 3.4Å; F203-L251 VanDerWaalsContact CD1-CD2 3.4Å; F203-L251 HydrophobicContact CE1-CD2 3.41Å; F203-L251 VanDerWaalsContact CE1-CD2 3.41Å
204	R	98.1	Very high	93.9	Very high	123 Å²	123	75 Å²	75	46%	0.464	40%	0.397	S	S	.	.			trans	-88.8	139.8	-178.9	-65.9	-175.4	175.4	-90.9	13.7	109.8	R183 Y184 V206 H213	R183-R204 PolarHBondContact O-NH1 3.24Å; Y184-R204 HydrophobicContact CD1-CG 3.81Å; Y184-R204 HydrophobicContact CE1-CG 3.7Å; R204-V206 VanDerWaalsContact C-N 3.28Å; R204-V206 PolarHBondContact O-N 2.98Å; R204-H213 PolarHBondContact O-ND1 3.23Å
205	P	97.5	Very high	95	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.013	38%	0.381	C	S	.	.	S	Bend	trans	-75	-16.1	177.2	24	-27.1	0	0	0	114.4	F182 I185 H213 Q252	F182-P205 WeakPolarHBondContact O-CD 3.39Å; F182-P205 WeakPolarHBondContact O-CG 3.48Å; I185-P205 HydrophobicContact CD1-CB 3.69Å; I185-P205 HydrophobicContact CD1-CG 3.84Å; I185-P205 HydrophobicContact CG1-CB 3.89Å; I185-P205 HydrophobicContact CG1-CG 4.19Å; P205-H213 PolarHBondContact O-N 2.82Å; P205-Q252 HydrophobicContact CB-CB 3.98Å; P205-Q252 VanDerWaalsContact CG-OE1 3.29Å
206	V	97.1	Very high	95.9	Very high	33 Å²	33	62.6 Å²	62.6	20%	0.2	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-122.6	132.5	-175.9	-166.6	0	0	0	0	109.3	N180 R204 Q211 L212	N180-V206 HydrophobicContact CB-CG1 4.43Å; N180-V206 HydrophobicContact CB-CG2 4.01Å; R204-V206 VanDerWaalsContact C-N 3.28Å; R204-V206 PolarHBondContact O-N 2.98Å; V206-Q211 WeakPolarHBondContact CA-O 3.3Å; V206-L212 HydrophobicContact CG2-CD2 4.05Å
207	A	94.6	Very high	96.4	Very high	26 Å²	26	59.1 Å²	59.1	22%	0.215	33%	0.327	C	S	.	.			trans	-74	169.5	174.2	0	0	0	0	0	111.8	D209 G210 Q211	A207-D209 VanDerWaalsContact CB-OD1 3.31Å; A207-D209 WeakPolarHBondContact CB-OD1 3.41Å; A207-D209 PolarHBondContact O-N 3.32Å; A207-G210 PolarHBondContact O-N 3.36Å; A207-G210 VanDerWaalsContact O-N 3.1Å; A207-Q211 WeakPolarHBondContact CB-O 3.44Å; A207-Q211 PolarHBondContact N-O 2.7Å
208	A	91.6	Very high	96.7	Very high	120 Å²	120	55 Å²	55	99%	0.992	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.3	-178.7	0	0	0	0	0	113.8	G210	A208-G210 VanDerWaalsContact C-N 3.34Å
209	D	92.8	Very high	96.8	Very high	107 Å²	107	52.7 Å²	52.7	57%	0.572	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.7	176.7	69.7	-14.7	0	0	0	113.2	A207 Q211	A207-D209 VanDerWaalsContact CB-OD1 3.31Å; A207-D209 WeakPolarHBondContact CB-OD1 3.41Å; A207-D209 PolarHBondContact O-N 3.32Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.45Å; D209-Q211 PolarHBondContact OD1-N 2.79Å; D209-Q211 VanDerWaalsContact OD1-N 3.08Å; D209-Q211 PolarHBondContact OD2-NE2 3.34Å
210	G	91.6	Very high	96.7	Very high	36 Å²	36	56.6 Å²	56.6	37%	0.371	31%	0.306	S	S	.	.	S	Bend	trans	89.9	-1.6	179.5	0	0	0	0	0	115.1	A207 A208	A207-G210 PolarHBondContact O-N 3.36Å; A207-G210 VanDerWaalsContact O-N 3.1Å; A208-G210 VanDerWaalsContact C-N 3.34Å
211	Q	95.4	Very high	96.6	Very high	131 Å²	131	61 Å²	61	61%	0.612	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-72.5	147.3	175.2	-65.7	-173.9	46.4	0	0	111.6	V206 A207 D209	V206-Q211 WeakPolarHBondContact CA-O 3.3Å; A207-Q211 WeakPolarHBondContact CB-O 3.44Å; A207-Q211 PolarHBondContact N-O 2.7Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.45Å; D209-Q211 PolarHBondContact OD1-N 2.79Å; D209-Q211 VanDerWaalsContact OD1-N 3.08Å; D209-Q211 PolarHBondContact OD2-NE2 3.34Å
212	L	97.4	Very high	96.5	Very high	81 Å²	81	56.2 Å²	56.2	42%	0.424	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-76	128.3	175.2	-63.9	179.4	0	0	0	109.7	V206 P250 Q252	V206-L212 HydrophobicContact CG2-CD2 4.05Å; L212-P250 HydrophobicContact CB-CB 4.46Å; L212-P250 HydrophobicContact CD1-CB 4.11Å; L212-Q252 HydrophobicContact CD2-CB 4.44Å
213	H	98.4	Very high	96.3	Very high	48 Å²	48	51.1 Å²	51.1	22%	0.222	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.8	148.4	167.1	-72.8	146.4	0	0	0	110.6	F203 R204 P205 D217 L251	F203-H213 HydrophobicContact CE1-CB 3.69Å; F203-H213 AromaticContact CE1-CG 3.87Å; F203-H213 AromaticContact CE1-ND1 3.55Å; F203-H213 HydrophobicContact CZ-CB 3.98Å; F203-H213 AromaticContact CZ-CG 3.84Å; F203-H213 AromaticContact CZ-ND1 3.6Å; R204-H213 PolarHBondContact O-ND1 3.23Å; P205-H213 PolarHBondContact O-N 2.82Å; H213-D217 HydrophobicContact CB-CB 4.2Å; H213-L251 VanDerWaalsContact O-CB 3.3Å; H213-L251 WeakPolarHBondContact O-CB 3.5Å; H213-L251 PolarHBondContact O-N 3.01Å
214	T	98.5	Very high	96	Very high	31 Å²	31	54.1 Å²	54.1	19%	0.19	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-101.5	170.8	-179.4	66.7	0	0	0	0	111.5	G216 D217 L218 L247 E248 T249	T214-G216 PolarHBondContact O-N 3.37Å; T214-G216 PolarHBondContact OG1-N 3.44Å; T214-D217 WeakPolarHBondContact CB-OD2 3.33Å; T214-D217 PolarHBondContact N-OD2 2.91Å; T214-D217 PolarHBondContact O-N 3.34Å; T214-D217 PolarHBondContact OG1-N 2.94Å; T214-D217 PolarHBondContact OG1-OD2 2.91Å; T214-L218 PolarHBondContact O-N 3.05Å; T214-L247 VanDerWaalsContact CB-O 3.27Å; T214-L247 WeakPolarHBondContact CB-O 3.38Å; T214-L247 PolarHBondContact OG1-O 3.49Å; T214-E248 WeakPolarHBondContact CG2-O 3.43Å; T214-T249 WeakPolarHBondContact CA-O 3.31Å
215	L	98.4	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-38.6	169.3	178.2	59.1	0	0	0	111.7	L218 L219 V238 P245 L247 T249 L254 I267	L215-L218 WeakPolarHBondContact O-CB 3.44Å; L215-L218 PolarHBondContact O-N 3.02Å; L215-L219 HydrophobicContact CD1-CD1 4.36Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.23Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.41Å; L215-V238 HydrophobicContact CD2-CG1 4.1Å; L215-P245 HydrophobicContact CD2-CB 4.17Å; L215-L247 HydrophobicContact CG-CD2 4.37Å; L215-L247 PolarHBondContact N-O 2.95Å; L215-T249 PolarHBondContact N-O 3.2Å; L215-L254 HydrophobicContact CB-CD1 3.83Å; L215-L254 HydrophobicContact CD1-CD1 4.29Å; L215-L254 HydrophobicContact CD2-CD1 4.17Å; L215-L254 HydrophobicContact CG-CD1 4.33Å; L215-I267 HydrophobicContact CD1-CD1 4.19Å
216	G	97.1	Very high	95.1	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-43.1	176.1	0	0	0	0	0	112.6	T214 L218 L219 K220 L247	T214-G216 PolarHBondContact O-N 3.37Å; T214-G216 PolarHBondContact OG1-N 3.44Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 2.87Å; G216-L219 PolarHBondContact O-N 3.07Å; G216-K220 WeakPolarHBondContact O-CB 3.48Å; G216-K220 VanDerWaalsContact O-CG 3.28Å; G216-K220 WeakPolarHBondContact O-CG 3.41Å; G216-K220 PolarHBondContact O-N 3.4Å; G216-L247 PolarHBondContact N-O 2.82Å
217	D	97.2	Very high	94.7	Very high	57 Å²	57	50.5 Å²	50.5	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-41.5	178.1	-58.6	-43.7	0	0	0	111.6	F203 H213 T214 E221	F203-D217 HydrophobicContact CZ-CB 4.22Å; H213-D217 HydrophobicContact CB-CB 4.2Å; T214-D217 WeakPolarHBondContact CB-OD2 3.33Å; T214-D217 PolarHBondContact N-OD2 2.91Å; T214-D217 PolarHBondContact O-N 3.34Å; T214-D217 PolarHBondContact OG1-N 2.94Å; T214-D217 PolarHBondContact OG1-OD2 2.91Å; D217-E221 WeakPolarHBondContact O-CB 3.42Å; D217-E221 PolarHBondContact O-N 3.08Å
218	L	98.3	Very high	94.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-53.7	173.5	173.5	64.9	0	0	0	110.8	F187 F203 T214 L215 G216 K220 E221 V222 L251 I267	F187-L218 HydrophobicContact CD1-CD1 4.08Å; F187-L218 HydrophobicContact CD1-CD2 4.41Å; F187-L218 HydrophobicContact CD2-CD1 4.47Å; F187-L218 HydrophobicContact CD2-CD2 4.31Å; F187-L218 HydrophobicContact CE1-CD1 3.67Å; F187-L218 HydrophobicContact CE2-CD1 4.09Å; F187-L218 HydrophobicContact CG-CD1 4.47Å; F187-L218 HydrophobicContact CG-CD2 4.19Å; F187-L218 HydrophobicContact CZ-CD1 3.68Å; F203-L218 HydrophobicContact CB-CD1 3.89Å; F203-L218 HydrophobicContact CD1-CD1 3.93Å; F203-L218 HydrophobicContact CD2-CD1 3.78Å; F203-L218 HydrophobicContact CE1-CB 4.22Å; F203-L218 HydrophobicContact CE1-CD1 4.42Å; F203-L218 HydrophobicContact CE2-CB 4.48Å; F203-L218 HydrophobicContact CE2-CD1 4.29Å; F203-L218 HydrophobicContact CG-CD1 3.58Å; F203-L218 HydrophobicContact CZ-CB 4.2Å; T214-L218 PolarHBondContact O-N 3.05Å; L215-L218 WeakPolarHBondContact O-CB 3.44Å; L215-L218 PolarHBondContact O-N 3.02Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 2.87Å; L218-K220 PolarHBondContact O-N 3.05Å; L218-E221 PolarHBondContact O-N 2.85Å; L218-V222 HydrophobicContact CD1-CG1 4.05Å; L218-V222 HydrophobicContact CD1-CG2 3.88Å; L218-V222 HydrophobicContact CG-CG2 4.21Å; L218-V222 WeakPolarHBondContact O-CG2 3.26Å; L218-V222 PolarHBondContact O-N 3.07Å; L218-L251 HydrophobicContact CB-CD1 4.4Å; L218-L251 HydrophobicContact CB-CD2 4.03Å; L218-L251 HydrophobicContact CD2-CD1 3.74Å; L218-L251 HydrophobicContact CD2-CD2 4.19Å; L218-L251 HydrophobicContact CG-CD2 4.48Å; L218-I267 HydrophobicContact CD2-CD1 4.02Å
219	L	96.9	Very high	93.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-42.8	-175.8	-67.2	174.7	0	0	0	111.8	I189 L215 G216 E221 V222 C223 P224 V227 V238 L247 I269	I189-L219 HydrophobicContact CD1-CD2 4.03Å; L215-L219 HydrophobicContact CD1-CD1 4.36Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.23Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.41Å; G216-L219 PolarHBondContact O-N 3.07Å; L219-E221 VanDerWaalsContact C-N 3.26Å; L219-E221 PolarHBondContact O-N 3.22Å; L219-V222 PolarHBondContact O-N 3.21Å; L219-C223 HydrophobicContact CD2-CB 4.38Å; L219-C223 CarbonylContact O-C 3.54Å; L219-C223 VanDerWaalsContact O-CA 3.28Å; L219-C223 WeakPolarHBondContact O-CA 3.45Å; L219-C223 PolarHBondContact O-N 3.03Å; L219-C223 VanDerWaalsContact O-O 3.11Å; L219-P224 VanDerWaalsContact O-N 3.15Å; L219-V227 HydrophobicContact CB-CG2 3.79Å; L219-V227 HydrophobicContact CD1-CG2 4.37Å; L219-V238 HydrophobicContact CD1-CB 4.44Å; L219-V238 HydrophobicContact CD1-CG1 3.98Å; L219-V238 HydrophobicContact CD1-CG2 3.65Å; L219-L247 HydrophobicContact CD1-CD2 3.79Å; L219-I269 HydrophobicContact CD2-CD1 4.1Å
220	K	95.7	Very high	92.6	Very high	111 Å²	111	55.5 Å²	55.5	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-57.2	-39.7	176	-74	170.9	-177.5	174.2	0	112.2	G216 L218 V227	G216-K220 WeakPolarHBondContact O-CB 3.48Å; G216-K220 VanDerWaalsContact O-CG 3.28Å; G216-K220 WeakPolarHBondContact O-CG 3.41Å; G216-K220 PolarHBondContact O-N 3.4Å; L218-K220 PolarHBondContact O-N 3.05Å; K220-V227 HydrophobicContact CG-CG1 4.41Å
221	E	96.3	Very high	92.1	Very high	135 Å²	135	59 Å²	59	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-76.7	-44.7	-178.9	-179.2	62.3	-158.1	0	0	113	F203 D217 L218 L219	F203-E221 HydrophobicContact CD2-CB 4.32Å; F203-E221 HydrophobicContact CD2-CG 4.18Å; F203-E221 HydrophobicContact CE2-CB 3.89Å; F203-E221 HydrophobicContact CE2-CG 4.1Å; D217-E221 WeakPolarHBondContact O-CB 3.42Å; D217-E221 PolarHBondContact O-N 3.08Å; L218-E221 PolarHBondContact O-N 2.85Å; L219-E221 VanDerWaalsContact C-N 3.26Å; L219-E221 PolarHBondContact O-N 3.22Å
222	V	96.3	Very high	91.3	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.055	29%	0.294	C	S	.	.	H	α-helix	trans	-107.7	-21.3	-167.7	-47.7	0	0	0	0	114.5	F187 I189 I199 K201 F203 L218 L219	F187-V222 HydrophobicContact CE2-CG2 3.96Å; F187-V222 HydrophobicContact CZ-CG1 4.19Å; F187-V222 HydrophobicContact CZ-CG2 4.13Å; I189-V222 HydrophobicContact CD1-CG2 3.37Å; I199-V222 HydrophobicContact CG2-CB 4.43Å; K201-V222 HydrophobicContact CB-CG1 4.28Å; K201-V222 HydrophobicContact CD-CB 4.21Å; K201-V222 HydrophobicContact CD-CG1 4.06Å; F203-V222 HydrophobicContact CD2-CG1 4.41Å; L218-V222 HydrophobicContact CD1-CG1 4.05Å; L218-V222 HydrophobicContact CD1-CG2 3.88Å; L218-V222 HydrophobicContact CG-CG2 4.21Å; L218-V222 WeakPolarHBondContact O-CG2 3.26Å; L218-V222 PolarHBondContact O-N 3.07Å; L219-V222 PolarHBondContact O-N 3.21Å
223	C	94.3	Very high	90.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	30%	0.3	C	S	.	.			trans	-146.6	59.1	-176.8	-163	0	0	0	0	111.4	I189 Q191 I199 L219 S225 A226	I189-C223 HydrophobicContact CD1-CB 4.15Å; Q191-C223 PolarHBondContact NE2-SG 2.81Å; I199-C223 HydrophobicContact CD1-CB 4.32Å; L219-C223 HydrophobicContact CD2-CB 4.38Å; L219-C223 CarbonylContact O-C 3.54Å; L219-C223 VanDerWaalsContact O-CA 3.28Å; L219-C223 WeakPolarHBondContact O-CA 3.45Å; L219-C223 PolarHBondContact O-N 3.03Å; L219-C223 VanDerWaalsContact O-O 3.11Å; C223-S225 PolarHBondContact O-N 2.75Å; C223-A226 WeakPolarHBondContact O-CB 3.25Å; C223-A226 PolarHBondContact O-N 3.19Å
224	P	92.3	Very high	90	Very high	82 Å²	82	55.4 Å²	55.4	53%	0.532	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.7	-173	24	-34.5	0	0	0	113.1	L219 A226 V227	L219-P224 VanDerWaalsContact O-N 3.15Å; P224-A226 PolarHBondContact O-N 3.27Å; P224-V227 PolarHBondContact O-N 3.48Å
225	S	89.8	Confident	89.4	Confident	72 Å²	72	59.5 Å²	59.5	50%	0.503	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-65.3	-15.8	175.5	55.4	0	0	0	0	114.3	C223	C223-S225 PolarHBondContact O-N 2.75Å
226	A	87.6	Confident	89	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-83.7	-14.2	177.1	0	0	0	0	0	113.5	C223 P224 K235 N236 I269	C223-A226 WeakPolarHBondContact O-CB 3.25Å; C223-A226 PolarHBondContact O-N 3.19Å; P224-A226 PolarHBondContact O-N 3.27Å; A226-K235 PolarHBondContact O-N 3.06Å; A226-N236 PolarHBondContact O-N 3.24Å; A226-I269 HydrophobicContact CB-CD1 4.08Å; A226-I269 HydrophobicContact CB-CG1 4.4Å; A226-I269 HydrophobicContact CB-CG2 3.91Å
227	V	87.5	Confident	88.8	Confident	10 Å²	10	63.2 Å²	63.2	6%	0.061	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-119.4	140.7	-176	-175.3	0	0	0	0	108.5	L219 K220 P224 G232 E233	L219-V227 HydrophobicContact CB-CG2 3.79Å; L219-V227 HydrophobicContact CD1-CG2 4.37Å; K220-V227 HydrophobicContact CG-CG1 4.41Å; P224-V227 PolarHBondContact O-N 3.48Å; V227-G232 WeakPolarHBondContact CG1-O 3.45Å; V227-E233 CarbonylContact C-O 3.6Å; V227-E233 WeakPolarHBondContact CA-O 3.34Å; V227-E233 WeakPolarHBondContact CG1-O 3.49Å
228	D	81.8	Confident	88.8	Confident	50 Å²	50	60.5 Å²	60.5	27%	0.267	32%	0.318	S	S	.	.			trans	-73.2	130.2	175.2	-164.5	-64.8	0	0	0	110.1	E230 D231 G232 E233	D228-E230 VanDerWaalsContact C-N 3.29Å; D228-E230 PolarHBondContact O-N 3.3Å; D228-E230 PolarHBondContact OD1-N 2.92Å; D228-D231 WeakPolarHBondContact CB-OD1 3.28Å; D228-G232 VanDerWaalsContact O-CA 3.25Å; D228-G232 WeakPolarHBondContact O-CA 3.48Å; D228-G232 PolarHBondContact O-N 3.48Å; D228-G232 VanDerWaalsContact O-N 3.07Å; D228-E233 PolarHBondContact N-O 2.81Å
229	P	75.9	Confident	88.8	Confident	123 Å²	123	61.6 Å²	61.6	80%	0.799	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.3	-178.5	29.2	-36	0	0	0	114.3
230	E	77.4	Confident	88.9	Confident	185 Å²	185	61.6 Å²	61.6	86%	0.864	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-47.3	-175	-62.5	-144.4	149.7	0	0	113.4	D228	D228-E230 VanDerWaalsContact C-N 3.29Å; D228-E230 PolarHBondContact O-N 3.3Å; D228-E230 PolarHBondContact OD1-N 2.92Å
231	D	81.9	Confident	89	Confident	109 Å²	109	57.1 Å²	57.1	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-12.6	-178.5	62.2	13.3	0	0	0	113.6	D228 E233	D228-D231 WeakPolarHBondContact CB-OD1 3.28Å; D231-E233 HydrophobicContact CB-CG 4.38Å; D231-E233 PolarHBondContact O-N 3.45Å; D231-E233 VanDerWaalsContact OD1-CB 3.31Å; D231-E233 WeakPolarHBondContact OD1-CB 3.28Å; D231-E233 PolarHBondContact OD1-N 3.31Å
232	G	79	Confident	89.1	Confident	20 Å²	20	52 Å²	52	21%	0.206	29%	0.288	C	S	.	.			trans	75.9	11	-178.4	0	0	0	0	0	114.1	V227 D228	V227-G232 WeakPolarHBondContact CG1-O 3.45Å; D228-G232 VanDerWaalsContact O-CA 3.25Å; D228-G232 WeakPolarHBondContact O-CA 3.48Å; D228-G232 PolarHBondContact O-N 3.48Å; D228-G232 VanDerWaalsContact O-N 3.07Å
233	E	84.4	Confident	89.1	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	31%	0.309	S	S	*	.			trans	-82.7	169.6	177.9	-68.8	-63.6	155.3	0	0	112.1	V227 D228 D231 K235	V227-E233 CarbonylContact C-O 3.6Å; V227-E233 WeakPolarHBondContact CA-O 3.34Å; V227-E233 WeakPolarHBondContact CG1-O 3.49Å; D228-E233 PolarHBondContact N-O 2.81Å; D231-E233 HydrophobicContact CB-CG 4.38Å; D231-E233 PolarHBondContact O-N 3.45Å; D231-E233 VanDerWaalsContact OD1-CB 3.31Å; D231-E233 WeakPolarHBondContact OD1-CB 3.28Å; D231-E233 PolarHBondContact OD1-N 3.31Å; E233-K235 PolarHBondContact O-N 2.96Å
234	K	83.3	Confident	89.3	Confident	46 Å²	46	60.3 Å²	60.3	20%	0.2	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-71.3	120.3	178.8	-66.7	-178.4	-173	171.9	0	110.9	V238 E244 P245 L247	K234-V238 HydrophobicContact CD-CB 4.37Å; K234-V238 HydrophobicContact CD-CG2 4.03Å; K234-V238 HydrophobicContact CG-CG2 4.27Å; K234-E244 HydrophobicContact CD-CG 4.46Å; K234-E244 WeakPolarHBondContact CD-OE1 3.36Å; K234-E244 IonicContact NZ-OE1 2.74Å; K234-E244 PolarHBondContact NZ-OE1 3.46Å; K234-P245 WeakPolarHBondContact CE-O 3.32Å; K234-P245 PolarHBondContact NZ-O 3.01Å; K234-L247 HydrophobicContact CD-CD2 4.23Å; K234-L247 HydrophobicContact CD-CG 4.32Å; K234-L247 VanDerWaalsContact CE-CD2 3.46Å; K234-L247 HydrophobicContact CG-CD1 3.73Å; K234-L247 HydrophobicContact CG-CD2 3.84Å; K234-L247 HydrophobicContact CG-CG 3.77Å
235	K	86.1	Confident	89.5	Confident	117 Å²	117	57 Å²	57	51%	0.509	31%	0.306	S	S	.	.	S	Bend	trans	-80.6	-34.8	171.8	-176	172.6	-177.5	169.7	0	112.4	A226 E233	A226-K235 PolarHBondContact O-N 3.06Å; E233-K235 PolarHBondContact O-N 2.96Å
236	N	90.2	Very high	89.9	Confident	46 Å²	46	59 Å²	59	25%	0.246	31%	0.309	C	S	.	.	S	Bend	trans	-123.9	157.5	177.1	-68.9	-36.6	0	0	0	108.8	A226 V238 I269 I270	A226-N236 PolarHBondContact O-N 3.24Å; N236-V238 PolarHBondContact O-N 3.38Å; N236-I269 HydrophobicContact CB-CG2 3.58Å; N236-I270 WeakPolarHBondContact CB-O 3.43Å
237	Q	93.2	Very high	90.3	Very high	35 Å²	35	60.3 Å²	60.3	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133	174.2	-76.7	-173.1	-17.2	0	0	110.5	I269 I270 Q272 P273	Q237-I269 WeakPolarHBondContact O-CA 3.3Å; Q237-I270 HydrophobicContact CB-CD1 4.41Å; Q237-I270 HydrophobicContact CB-CG1 3.72Å; Q237-I270 PolarHBondContact N-O 3.1Å; Q237-I270 PolarHBondContact O-N 3.29Å; Q237-I270 VanDerWaalsContact O-N 3.08Å; Q237-Q272 HydrophobicContact CG-CG 4.31Å; Q237-P273 VanDerWaalsContact CD-CD 3.42Å
238	V	96.6	Very high	90.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	97.7	176.4	-176.1	0	0	0	0	108.1	L215 L219 K234 N236 E244 I267 I269	L215-V238 HydrophobicContact CD2-CG1 4.1Å; L219-V238 HydrophobicContact CD1-CB 4.44Å; L219-V238 HydrophobicContact CD1-CG1 3.98Å; L219-V238 HydrophobicContact CD1-CG2 3.65Å; K234-V238 HydrophobicContact CD-CB 4.37Å; K234-V238 HydrophobicContact CD-CG2 4.03Å; K234-V238 HydrophobicContact CG-CG2 4.27Å; N236-V238 PolarHBondContact O-N 3.38Å; V238-E244 PolarHBondContact N-OE1 2.83Å; V238-I267 HydrophobicContact CG1-CG2 3.64Å; V238-I269 HydrophobicContact CB-CD1 4.28Å; V238-I269 HydrophobicContact CG1-CD1 4.02Å; V238-I269 HydrophobicContact CG2-CD1 3.89Å
239	M	97.9	Very high	91.6	Very high	23 Å²	23	65.1 Å²	65.1	11%	0.113	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.6	-171.4	-168.5	173.1	-73.3	0	0	111.9	D88 I243 S268 I270	D88-M239 HydrophobicContact CB-CG 4.16Å; D88-M239 HydrophobicContact CB-SD 3.69Å; M239-I243 WeakPolarHBondContact CA-O 3.46Å; M239-S268 PolarHBondContact N-O 3.06Å; M239-S268 PolarHBondContact O-N 3.24Å; M239-I270 HydrophobicContact CE-CD1 3.65Å; M239-I270 HydrophobicContact SD-CD1 4.14Å
240	I	98.8	Very high	92.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-134.7	121.9	173.6	-52	-179.1	0	0	0	107.2	G242 I243 P245 L258 L265 I267	I240-G242 PolarHBondContact O-N 3.29Å; I240-I243 PolarHBondContact N-O 3.26Å; I240-I243 WeakPolarHBondContact O-CG1 3.49Å; I240-I243 PolarHBondContact O-N 2.84Å; I240-I243 VanDerWaalsContact O-N 3.14Å; I240-P245 HydrophobicContact CB-CG 4.33Å; I240-P245 HydrophobicContact CD1-CG 4.22Å; I240-P245 HydrophobicContact CG1-CG 4.41Å; I240-L258 HydrophobicContact CB-CD2 4.44Å; I240-L258 HydrophobicContact CG2-CB 4.16Å; I240-L258 HydrophobicContact CG2-CD2 4.12Å; I240-L265 HydrophobicContact CD1-CD1 4.35Å; I240-L265 HydrophobicContact CD1-CD2 4.29Å; I240-L265 HydrophobicContact CD1-CG 4.29Å; I240-L265 HydrophobicContact CG2-CD1 4.29Å; I240-I267 HydrophobicContact CD1-CD1 4.39Å; I240-I267 HydrophobicContact CD1-CG1 3.92Å; I240-I267 HydrophobicContact CD1-CG2 4.37Å; I240-I267 HydrophobicContact CG1-CB 4.38Å; I240-I267 HydrophobicContact CG1-CG1 4.14Å; I240-I267 HydrophobicContact CG1-CG2 4.08Å
241	H	98.6	Very high	93.7	Very high	17 Å²	17	52.9 Å²	52.9	8%	0.079	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.5	-177.3	-73.4	-68.7	0	0	0	114.5	V11 D88 I243 L258 Y260	V11-H241 WeakPolarHBondContact CG1-NE2 3.18Å; D88-H241 PolarHBondContact OD2-N 2.83Å; H241-I243 PolarHBondContact O-N 3.28Å; H241-L258 PolarHBondContact CD2-O 3.2Å; H241-L258 PolarHBondContact NE2-O 2.97Å; H241-Y260 AromaticContact CD2-CE2 3.99Å; H241-Y260 AromaticContact CE1-CD1 3.72Å; H241-Y260 AromaticContact CE1-CD2 3.37Å; H241-Y260 WeakPolarHBondContact CE1-CD2 3.38Å; H241-Y260 AromaticContact CE1-CE1 3.48Å; H241-Y260 VanDerWaalsContact CE1-CE1 3.48Å; H241-Y260 WeakPolarHBondContact CE1-CE1 3.48Å; H241-Y260 AromaticContact CE1-CE2 3.15Å; H241-Y260 WeakPolarHBondContact CE1-CE2 3.34Å; H241-Y260 AromaticContact CE1-CG 3.67Å; H241-Y260 AromaticContact CE1-CZ 3.2Å; H241-Y260 AromaticContact ND1-CE1 3.96Å; H241-Y260 AromaticContact ND1-CE2 3.68Å; H241-Y260 AromaticContact ND1-CZ 3.47Å; H241-Y260 AromaticContact NE2-CD2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CD2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CD2 3.36Å; H241-Y260 AromaticContact NE2-CE2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CE2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CE2 3.2Å; H241-Y260 AromaticContact NE2-CG 3.94Å; H241-Y260 AromaticContact NE2-CZ 3.9Å
242	G	97.6	Very high	94.5	Very high	28 Å²	28	47.9 Å²	47.9	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	7.4	179.3	0	0	0	0	0	115	D88 I240	D88-G242 WeakPolarHBondContact OD1-CA 3.49Å; D88-G242 PolarHBondContact OD1-N 2.85Å; D88-G242 PolarHBondContact OD2-N 2.76Å; I240-G242 PolarHBondContact O-N 3.29Å
243	I	97.8	Very high	95.4	Very high	100 Å²	100	50.7 Å²	50.7	51%	0.513	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-119	167.4	173.9	64.2	165.3	0	0	0	110.5	M239 I240 H241 P245 L258	M239-I243 WeakPolarHBondContact CA-O 3.46Å; I240-I243 PolarHBondContact N-O 3.26Å; I240-I243 WeakPolarHBondContact O-CG1 3.49Å; I240-I243 PolarHBondContact O-N 2.84Å; I240-I243 VanDerWaalsContact O-N 3.14Å; H241-I243 PolarHBondContact O-N 3.28Å; I243-P245 WeakPolarHBondContact O-CD 3.05Å; I243-L258 HydrophobicContact CD1-CD2 4.3Å
244	E	97.2	Very high	96.1	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.393	23%	0.226	S	C	.	.			trans	-117.2	91.7	-178.6	178.4	157.7	-149.6	0	0	110.7	K234 V238	K234-E244 HydrophobicContact CD-CG 4.46Å; K234-E244 WeakPolarHBondContact CD-OE1 3.36Å; K234-E244 IonicContact NZ-OE1 2.74Å; K234-E244 PolarHBondContact NZ-OE1 3.46Å; V238-E244 PolarHBondContact N-OE1 2.83Å
245	P	97.4	Very high	96.8	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.084	22%	0.216	C	C	.	.			trans	-64.7	150.5	179.8	-21.3	33.8	0	0	0	112.4	L215 K234 I240 I243 L254 L258	L215-P245 HydrophobicContact CD2-CB 4.17Å; K234-P245 WeakPolarHBondContact CE-O 3.32Å; K234-P245 PolarHBondContact NZ-O 3.01Å; I240-P245 HydrophobicContact CB-CG 4.33Å; I240-P245 HydrophobicContact CD1-CG 4.22Å; I240-P245 HydrophobicContact CG1-CG 4.41Å; I243-P245 WeakPolarHBondContact O-CD 3.05Å; P245-L254 HydrophobicContact CB-CD2 4.36Å; P245-L254 HydrophobicContact CG-CD2 4.38Å; P245-L258 HydrophobicContact CG-CD2 4.2Å
246	M	97.4	Very high	97.4	Very high	115 Å²	115	38.9 Å²	38.9	57%	0.567	20%	0.199	S	C	*	.			trans	-64.6	146.2	174.4	-62.3	178	70.3	0	0	110.8	E248 T249	M246-E248 HydrophobicContact CB-CG 3.99Å; M246-E248 HydrophobicContact CE-CG 4.23Å; M246-E248 VanDerWaalsContact CE-OE1 3.25Å; M246-E248 WeakPolarHBondContact CE-OE1 3.44Å; M246-E248 PolarHBondContact O-N 2.99Å; M246-T249 PolarHBondContact N-OG1 2.78Å; M246-T249 VanDerWaalsContact O-CB 3.28Å; M246-T249 WeakPolarHBondContact O-CB 3.42Å; M246-T249 PolarHBondContact O-N 3.24Å; M246-T249 PolarHBondContact O-OG1 3.08Å
247	L	96.8	Very high	97.8	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.141	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.2	-179.4	-70.5	-175	0	0	0	112.8	T214 L215 G216 L219 K234 T249	T214-L247 VanDerWaalsContact CB-O 3.27Å; T214-L247 WeakPolarHBondContact CB-O 3.38Å; T214-L247 PolarHBondContact OG1-O 3.49Å; L215-L247 HydrophobicContact CG-CD2 4.37Å; L215-L247 PolarHBondContact N-O 2.95Å; G216-L247 PolarHBondContact N-O 2.82Å; L219-L247 HydrophobicContact CD1-CD2 3.79Å; K234-L247 HydrophobicContact CD-CD2 4.23Å; K234-L247 HydrophobicContact CD-CG 4.32Å; K234-L247 VanDerWaalsContact CE-CD2 3.46Å; K234-L247 HydrophobicContact CG-CD1 3.73Å; K234-L247 HydrophobicContact CG-CD2 3.84Å; K234-L247 HydrophobicContact CG-CG 3.77Å; L247-T249 PolarHBondContact O-N 2.93Å
248	E	97.4	Very high	98.1	Very high	134 Å²	134	36.5 Å²	36.5	63%	0.626	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.9	176.2	64.4	-166.4	-145.2	0	0	114.3	T214 M246 P250	T214-E248 WeakPolarHBondContact CG2-O 3.43Å; M246-E248 HydrophobicContact CB-CG 3.99Å; M246-E248 HydrophobicContact CE-CG 4.23Å; M246-E248 VanDerWaalsContact CE-OE1 3.25Å; M246-E248 WeakPolarHBondContact CE-OE1 3.44Å; M246-E248 PolarHBondContact O-N 2.99Å; E248-P250 WeakPolarHBondContact O-CD 3.5Å
249	T	98.4	Very high	98.2	Very high	26 Å²	26	37 Å²	37	16%	0.16	19%	0.19	C	C	.	.	S	Bend	trans	-60.6	126.7	-179.6	-49	0	0	0	0	109.9	T214 L215 M246 L247 L251 W253 L254	T214-T249 WeakPolarHBondContact CA-O 3.31Å; L215-T249 PolarHBondContact N-O 3.2Å; M246-T249 PolarHBondContact N-OG1 2.78Å; M246-T249 VanDerWaalsContact O-CB 3.28Å; M246-T249 WeakPolarHBondContact O-CB 3.42Å; M246-T249 PolarHBondContact O-N 3.24Å; M246-T249 PolarHBondContact O-OG1 3.08Å; L247-T249 PolarHBondContact O-N 2.93Å; T249-L251 PolarHBondContact O-N 3.48Å; T249-W253 HydrophobicContact CG2-CE3 3.87Å; T249-W253 HydrophobicContact CG2-CZ3 4.13Å; T249-L254 HydrophobicContact CG2-CD1 4.1Å; T249-L254 HydrophobicContact CG2-CD2 3.87Å; T249-L254 HydrophobicContact CG2-CG 3.72Å
250	P	98.6	Very high	98.2	Very high	51 Å²	51	36 Å²	36	33%	0.331	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-59	128.9	179.8	-26.1	34.8	0	0	0	112.2	L212 E248 Q252 W253 L254	L212-P250 HydrophobicContact CB-CB 4.46Å; L212-P250 HydrophobicContact CD1-CB 4.11Å; E248-P250 WeakPolarHBondContact O-CD 3.5Å; P250-Q252 VanDerWaalsContact C-N 3.34Å; P250-Q252 PolarHBondContact O-N 3.16Å; P250-W253 HydrophobicContact CB-CB 4.2Å; P250-W253 PolarHBondContact O-N 3.42Å; P250-L254 PolarHBondContact O-N 3.17Å
251	L	98.6	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.9	-33.8	-173.4	-172.8	67.1	0	0	0	112.6	I185 F203 H213 L218 T249 L254 S255 L265	I185-L251 HydrophobicContact CB-CD2 4.22Å; I185-L251 HydrophobicContact CG1-CD2 3.75Å; I185-L251 HydrophobicContact CG1-CG 3.96Å; I185-L251 HydrophobicContact CG2-CD1 4.47Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; I185-L251 HydrophobicContact CG2-CG 4.22Å; F203-L251 HydrophobicContact CD1-CD2 3.4Å; F203-L251 VanDerWaalsContact CD1-CD2 3.4Å; F203-L251 HydrophobicContact CE1-CD2 3.41Å; F203-L251 VanDerWaalsContact CE1-CD2 3.41Å; H213-L251 VanDerWaalsContact O-CB 3.3Å; H213-L251 WeakPolarHBondContact O-CB 3.5Å; H213-L251 PolarHBondContact O-N 3.01Å; L218-L251 HydrophobicContact CB-CD1 4.4Å; L218-L251 HydrophobicContact CB-CD2 4.03Å; L218-L251 HydrophobicContact CD2-CD1 3.74Å; L218-L251 HydrophobicContact CD2-CD2 4.19Å; L218-L251 HydrophobicContact CG-CD2 4.48Å; T249-L251 PolarHBondContact O-N 3.48Å; L251-L254 HydrophobicContact CD1-CD1 4.44Å; L251-L254 PolarHBondContact O-N 3.15Å; L251-S255 PolarHBondContact O-N 3.34Å; L251-L265 HydrophobicContact CD1-CD2 4.07Å
252	Q	98.6	Very high	98.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-48.7	173.4	-177.8	56.3	38.7	0	0	110.8	G181 F182 P205 L212 P250 L254 S255 E256	G181-Q252 VanDerWaalsContact CA-CD 3.47Å; F182-Q252 VanDerWaalsContact CD2-NE2 3.31Å; P205-Q252 HydrophobicContact CB-CB 3.98Å; P205-Q252 VanDerWaalsContact CG-OE1 3.29Å; L212-Q252 HydrophobicContact CD2-CB 4.44Å; P250-Q252 VanDerWaalsContact C-N 3.34Å; P250-Q252 PolarHBondContact O-N 3.16Å; Q252-L254 PolarHBondContact O-N 3.01Å; Q252-S255 PolarHBondContact O-N 3.35Å; Q252-S255 VanDerWaalsContact O-N 3.15Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.15Å; Q252-E256 PolarHBondContact NE2-OE1 3.31Å; Q252-E256 WeakPolarHBondContact O-CG 3.49Å; Q252-E256 PolarHBondContact O-N 3.08Å
253	W	98.5	Very high	98.3	Very high	80 Å²	80	34.3 Å²	34.3	30%	0.303	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-41.5	177.9	-177.4	93	0	0	0	111.7	D4 V7 T249 P250 S255 E256 H257 L258	D4-W253 PolarHBondContact OD1-NE1 3.48Å; V7-W253 HydrophobicContact CG1-CH2 4.13Å; V7-W253 HydrophobicContact CG1-CZ2 4.39Å; V7-W253 HydrophobicContact CG2-CZ2 4.36Å; T249-W253 HydrophobicContact CG2-CE3 3.87Å; T249-W253 HydrophobicContact CG2-CZ3 4.13Å; P250-W253 HydrophobicContact CB-CB 4.2Å; P250-W253 PolarHBondContact O-N 3.42Å; W253-S255 VanDerWaalsContact C-N 3.32Å; W253-S255 PolarHBondContact O-N 3.2Å; W253-E256 PolarHBondContact O-N 2.91Å; W253-H257 AromaticContact CD1-CE1 3.38Å; W253-H257 AromaticContact CD1-ND1 3.29Å; W253-H257 VanDerWaalsContact CD1-ND1 3.29Å; W253-H257 HydrophobicContact CD2-CB 4.37Å; W253-H257 AromaticContact CD2-ND1 3.68Å; W253-H257 AromaticContact CE2-CG 3.78Å; W253-H257 AromaticContact CE2-ND1 3.55Å; W253-H257 AromaticContact CG-ND1 3.52Å; W253-H257 HydrophobicContact CH2-CB 4.29Å; W253-H257 HydrophobicContact CZ2-CB 4.08Å; W253-H257 AromaticContact NE1-CE1 3.45Å; W253-H257 PolarHBondContact NE1-CE1 2.87Å; W253-H257 AromaticContact NE1-CG 3.82Å; W253-H257 AromaticContact NE1-ND1 3.31Å; W253-H257 PolarHBondContact NE1-ND1 3.43Å; W253-H257 WeakPolarHBondContact O-CB 3.48Å; W253-H257 PolarHBondContact O-N 3.48Å; W253-H257 PolarHBondContact O-ND1 2.95Å; W253-L258 HydrophobicContact CH2-CD1 3.8Å; W253-L258 HydrophobicContact CZ3-CD1 3.62Å
254	L	98.7	Very high	98.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-43.7	173.5	-76.6	173.1	0	0	0	111.9	L215 P245 T249 P250 L251 Q252 E256 H257 L258 S259 L265	L215-L254 HydrophobicContact CB-CD1 3.83Å; L215-L254 HydrophobicContact CD1-CD1 4.29Å; L215-L254 HydrophobicContact CD2-CD1 4.17Å; L215-L254 HydrophobicContact CG-CD1 4.33Å; P245-L254 HydrophobicContact CB-CD2 4.36Å; P245-L254 HydrophobicContact CG-CD2 4.38Å; T249-L254 HydrophobicContact CG2-CD1 4.1Å; T249-L254 HydrophobicContact CG2-CD2 3.87Å; T249-L254 HydrophobicContact CG2-CG 3.72Å; P250-L254 PolarHBondContact O-N 3.17Å; L251-L254 HydrophobicContact CD1-CD1 4.44Å; L251-L254 PolarHBondContact O-N 3.15Å; Q252-L254 PolarHBondContact O-N 3.01Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.3Å; L254-H257 PolarHBondContact O-N 3.36Å; L254-L258 HydrophobicContact CD2-CB 4.25Å; L254-L258 HydrophobicContact CD2-CD1 4.31Å; L254-L258 HydrophobicContact CD2-CD2 3.76Å; L254-L258 HydrophobicContact CD2-CG 4.33Å; L254-L258 CarbonylContact O-C 2.86Å; L254-L258 WeakPolarHBondContact O-CA 3.3Å; L254-L258 PolarHBondContact O-N 2.73Å; L254-S259 PolarHBondContact O-N 2.88Å; L254-L265 HydrophobicContact CB-CD1 4.17Å; L254-L265 HydrophobicContact CB-CD2 4.15Å; L254-L265 WeakPolarHBondContact O-CD1 3.29Å
255	S	98.8	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-34.2	179	-169.8	0	0	0	0	112.6	L251 Q252 W253 S259	L251-S255 PolarHBondContact O-N 3.34Å; Q252-S255 PolarHBondContact O-N 3.35Å; Q252-S255 VanDerWaalsContact O-N 3.15Å; W253-S255 VanDerWaalsContact C-N 3.32Å; W253-S255 PolarHBondContact O-N 3.2Å; S255-S259 VanDerWaalsContact O-CB 3.26Å; S255-S259 WeakPolarHBondContact O-CB 3.31Å; S255-S259 PolarHBondContact O-OG 3.4Å
256	E	98.6	Very high	98.5	Very high	33 Å²	33	25.1 Å²	25.1	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-73.8	-38.6	176.4	-72	163.2	-161.1	0	0	112.9	Y175 F182 Q252 W253 L254	Y175-E256 VanDerWaalsContact CE1-OE1 3.31Å; Y175-E256 WeakPolarHBondContact CE1-OE1 3.35Å; F182-E256 HydrophobicContact CE2-CG 4.18Å; F182-E256 HydrophobicContact CZ-CG 3.98Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.15Å; Q252-E256 PolarHBondContact NE2-OE1 3.31Å; Q252-E256 WeakPolarHBondContact O-CG 3.49Å; Q252-E256 PolarHBondContact O-N 3.08Å; W253-E256 PolarHBondContact O-N 2.91Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.3Å
257	H	98.7	Very high	98.6	Very high	23 Å²	23	19.7 Å²	19.7	11%	0.106	10%	0.097	C	C	.	.	H	α-helix	trans	-110	-27.4	-164.1	-58.3	89.2	0	0	0	115.2	V7 L8 W253 L254	V7-H257 HydrophobicContact CG1-CB 4.18Å; L8-H257 HydrophobicContact CD2-CB 4.18Å; W253-H257 AromaticContact CD1-CE1 3.38Å; W253-H257 AromaticContact CD1-ND1 3.29Å; W253-H257 VanDerWaalsContact CD1-ND1 3.29Å; W253-H257 HydrophobicContact CD2-CB 4.37Å; W253-H257 AromaticContact CD2-ND1 3.68Å; W253-H257 AromaticContact CE2-CG 3.78Å; W253-H257 AromaticContact CE2-ND1 3.55Å; W253-H257 AromaticContact CG-ND1 3.52Å; W253-H257 HydrophobicContact CH2-CB 4.29Å; W253-H257 HydrophobicContact CZ2-CB 4.08Å; W253-H257 AromaticContact NE1-CE1 3.45Å; W253-H257 PolarHBondContact NE1-CE1 2.87Å; W253-H257 AromaticContact NE1-CG 3.82Å; W253-H257 AromaticContact NE1-ND1 3.31Å; W253-H257 PolarHBondContact NE1-ND1 3.43Å; W253-H257 WeakPolarHBondContact O-CB 3.48Å; W253-H257 PolarHBondContact O-N 3.48Å; W253-H257 PolarHBondContact O-ND1 2.95Å; L254-H257 PolarHBondContact O-N 3.36Å
258	L	98.8	Very high	98.6	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	9%	0.091	C	C	.	.	S	Bend	trans	-117.1	8.7	-177.2	-84.6	74.5	0	0	0	112.8	V7 V11 I240 H241 I243 P245 W253 L254 L265	V7-L258 HydrophobicContact CG1-CD1 3.8Å; V11-L258 HydrophobicContact CG2-CG 4.28Å; I240-L258 HydrophobicContact CB-CD2 4.44Å; I240-L258 HydrophobicContact CG2-CB 4.16Å; I240-L258 HydrophobicContact CG2-CD2 4.12Å; H241-L258 PolarHBondContact CD2-O 3.2Å; H241-L258 PolarHBondContact NE2-O 2.97Å; I243-L258 HydrophobicContact CD1-CD2 4.3Å; P245-L258 HydrophobicContact CG-CD2 4.2Å; W253-L258 HydrophobicContact CH2-CD1 3.8Å; W253-L258 HydrophobicContact CZ3-CD1 3.62Å; L254-L258 HydrophobicContact CD2-CB 4.25Å; L254-L258 HydrophobicContact CD2-CD1 4.31Å; L254-L258 HydrophobicContact CD2-CD2 3.76Å; L254-L258 HydrophobicContact CD2-CG 4.33Å; L254-L258 CarbonylContact O-C 2.86Å; L254-L258 WeakPolarHBondContact O-CA 3.3Å; L254-L258 PolarHBondContact O-N 2.73Å; L258-L265 HydrophobicContact CB-CD1 4.07Å
259	S	98.9	Very high	98.6	Very high	10 Å²	10	12.3 Å²	12.3	7%	0.07	6%	0.062	C	C	.	.			trans	-69.7	147.4	167	-68.4	0	0	0	0	110.8	L254 S255 F264	L254-S259 PolarHBondContact O-N 2.88Å; S255-S259 VanDerWaalsContact O-CB 3.26Å; S255-S259 WeakPolarHBondContact O-CB 3.31Å; S255-S259 PolarHBondContact O-OG 3.4Å; S259-F264 WeakPolarHBondContact CA-O 3.44Å
260	Y	98.9	Very high	98.3	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.016	6%	0.058	C	C	.	.			trans	-67.9	167.3	169.1	-79.8	-107.9	0	0	0	110.7	R41 P82 G84 L85 H241 D262 N263 F264 H266	R41-Y260 WeakPolarHBondContact O-CE1 3.48Å; P82-Y260 HydrophobicContact CB-CD1 3.39Å; P82-Y260 HydrophobicContact CB-CE1 3.28Å; P82-Y260 HydrophobicContact CB-CG 4.36Å; P82-Y260 HydrophobicContact CG-CD1 3.71Å; P82-Y260 HydrophobicContact CG-CE1 4.02Å; P82-Y260 HydrophobicContact CG-CG 4.24Å; G84-Y260 VanDerWaalsContact C-OH 3.32Å; G84-Y260 WeakPolarHBondContact CA-OH 3.31Å; L85-Y260 PolarHBondContact N-OH 2.82Å; L85-Y260 VanDerWaalsContact N-OH 3.12Å; H241-Y260 AromaticContact CD2-CE2 3.99Å; H241-Y260 AromaticContact CE1-CD1 3.72Å; H241-Y260 AromaticContact CE1-CD2 3.37Å; H241-Y260 WeakPolarHBondContact CE1-CD2 3.38Å; H241-Y260 AromaticContact CE1-CE1 3.48Å; H241-Y260 VanDerWaalsContact CE1-CE1 3.48Å; H241-Y260 WeakPolarHBondContact CE1-CE1 3.48Å; H241-Y260 AromaticContact CE1-CE2 3.15Å; H241-Y260 WeakPolarHBondContact CE1-CE2 3.34Å; H241-Y260 AromaticContact CE1-CG 3.67Å; H241-Y260 AromaticContact CE1-CZ 3.2Å; H241-Y260 AromaticContact ND1-CE1 3.96Å; H241-Y260 AromaticContact ND1-CE2 3.68Å; H241-Y260 AromaticContact ND1-CZ 3.47Å; H241-Y260 AromaticContact NE2-CD2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CD2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CD2 3.36Å; H241-Y260 AromaticContact NE2-CE2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CE2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CE2 3.2Å; H241-Y260 AromaticContact NE2-CG 3.94Å; H241-Y260 AromaticContact NE2-CZ 3.9Å; Y260-D262 VanDerWaalsContact CB-OD1 3.29Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.3Å; Y260-D262 PolarHBondContact O-N 3.2Å; Y260-N263 WeakPolarHBondContact O-CA 3.5Å; Y260-N263 PolarHBondContact O-N 3.18Å; Y260-F264 PolarHBondContact N-O 3.42Å; Y260-H266 HydrophobicContact CD2-CB 4.07Å; Y260-H266 AromaticContact CD2-CD2 3.45Å; Y260-H266 VanDerWaalsContact CD2-CD2 3.45Å; Y260-H266 WeakPolarHBondContact CD2-CD2 3.48Å; Y260-H266 HydrophobicContact CE2-CB 3.9Å; Y260-H266 AromaticContact CE2-CD2 4Å; Y260-H266 AromaticContact CG-CD2 3.66Å
261	P	98.9	Very high	97.8	Very high	6 Å²	6	13.1 Å²	13.1	4%	0.039	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.2	177.2	-29.3	38	0	0	0	114.2	W12 V42 F125 L157 F165 N263	W12-P261 HydrophobicContact CE3-CG 4.31Å; W12-P261 HydrophobicContact CZ3-CB 4.37Å; W12-P261 HydrophobicContact CZ3-CG 3.9Å; V42-P261 HydrophobicContact CB-CG 3.74Å; V42-P261 HydrophobicContact CG1-CG 4.43Å; V42-P261 HydrophobicContact CG2-CG 4.25Å; F125-P261 HydrophobicContact CE2-CB 4.01Å; F125-P261 WeakPolarHBondContact CE2-O 3.5Å; F125-P261 HydrophobicContact CZ-CB 4.48Å; L157-P261 HydrophobicContact CD1-CB 4.12Å; L157-P261 HydrophobicContact CD1-CG 3.99Å; F165-P261 HydrophobicContact CE1-CB 4.23Å; F165-P261 HydrophobicContact CE2-CB 3.96Å; F165-P261 HydrophobicContact CZ-CB 3.65Å; F165-P261 WeakPolarHBondContact CZ-O 3.47Å; P261-N263 PolarHBondContact O-N 3.08Å; P261-N263 PolarHBondContact O-ND2 2.78Å; P261-N263 VanDerWaalsContact O-ND2 3.16Å
262	D	98.8	Very high	97	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	1.6	174	67.9	2.5	0	0	0	113.8	F125 C128 Y260 F264 H266	F125-D262 HydrophobicContact CD2-CB 4.29Å; F125-D262 HydrophobicContact CE2-CB 4.31Å; C128-D262 HydrophobicContact CB-CB 3.8Å; Y260-D262 VanDerWaalsContact CB-OD1 3.29Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.3Å; Y260-D262 PolarHBondContact O-N 3.2Å; D262-F264 VanDerWaalsContact C-N 3.28Å; D262-F264 PolarHBondContact O-N 3.44Å; D262-F264 PolarHBondContact OD1-N 3.1Å; D262-H266 IonicContact OD1-NE2 2.99Å; D262-H266 PolarHBondContact OD1-NE2 2.83Å; D262-H266 IonicContact OD2-CD2 3.94Å; D262-H266 IonicContact OD2-CE1 3.7Å; D262-H266 IonicContact OD2-NE2 3.79Å; D262-H266 PolarHBondContact OD2-NE2 3.27Å
263	N	98.9	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	69	17.2	179.8	-74.6	-146.9	0	0	0	114.6	A132 K136 N169 L172 M173 P186 Y260 P261	A132-N263 HydrophobicContact CB-CB 3.55Å; K136-N263 PolarHBondContact NZ-OD1 2.96Å; N169-N263 PolarHBondContact OD1-ND2 3.46Å; L172-N263 WeakPolarHBondContact CB-OD1 3.44Å; M173-N263 HydrophobicContact CE-CB 4.24Å; M173-N263 VanDerWaalsContact CE-CG 3.49Å; M173-N263 WeakPolarHBondContact CE-OD1 3.19Å; P186-N263 WeakPolarHBondContact CB-O 3.14Å; Y260-N263 WeakPolarHBondContact O-CA 3.5Å; Y260-N263 PolarHBondContact O-N 3.18Å; P261-N263 PolarHBondContact O-N 3.08Å; P261-N263 PolarHBondContact O-ND2 2.78Å; P261-N263 VanDerWaalsContact O-ND2 3.16Å
264	F	98.9	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.			trans	-102	140.1	171.5	-83.8	-94	0	0	0	112.3	C128 E131 A132 L135 P186 R188 S259 Y260 D262 H266	C128-F264 HydrophobicContact CB-CD2 4.39Å; C128-F264 HydrophobicContact CB-CE2 4.35Å; C128-F264 WeakPolarHBondContact O-CE2 3.29Å; E131-F264 HydrophobicContact CB-CE2 4.22Å; E131-F264 HydrophobicContact CB-CZ 4.2Å; E131-F264 HydrophobicContact CG-CE2 4.41Å; E131-F264 HydrophobicContact CG-CZ 3.9Å; A132-F264 HydrophobicContact CB-CD2 3.99Å; A132-F264 HydrophobicContact CB-CE2 3.76Å; A132-F264 HydrophobicContact CB-CZ 4.41Å; L135-F264 HydrophobicContact CD1-CE1 4.34Å; L135-F264 HydrophobicContact CD1-CZ 4.42Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CE1 3.91Å; P186-F264 HydrophobicContact CB-CG 4.17Å; P186-F264 HydrophobicContact CB-CZ 4.28Å; R188-F264 HydrophobicContact CG-CD1 4Å; R188-F264 HydrophobicContact CG-CE1 4.24Å; S259-F264 WeakPolarHBondContact CA-O 3.44Å; Y260-F264 PolarHBondContact N-O 3.42Å; D262-F264 VanDerWaalsContact C-N 3.28Å; D262-F264 PolarHBondContact O-N 3.44Å; D262-F264 PolarHBondContact OD1-N 3.1Å; F264-H266 VanDerWaalsContact CB-CE1 3.48Å; F264-H266 WeakPolarHBondContact CB-CE1 3.29Å; F264-H266 PolarHBondContact O-N 3.5Å
265	L	98.9	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	98.9	164.6	-163	76.5	0	0	0	108.5	P186 F187 R188 I240 L251 L254 L258 I267	P186-L265 PolarHBondContact O-N 3.41Å; F187-L265 CarbonylContact C-O 3.51Å; F187-L265 VanDerWaalsContact CA-O 3.27Å; F187-L265 WeakPolarHBondContact CA-O 3.44Å; F187-L265 HydrophobicContact CB-CB 4.12Å; R188-L265 PolarHBondContact N-O 3.04Å; I240-L265 HydrophobicContact CD1-CD1 4.35Å; I240-L265 HydrophobicContact CD1-CD2 4.29Å; I240-L265 HydrophobicContact CD1-CG 4.29Å; I240-L265 HydrophobicContact CG2-CD1 4.29Å; L251-L265 HydrophobicContact CD1-CD2 4.07Å; L254-L265 HydrophobicContact CB-CD1 4.17Å; L254-L265 HydrophobicContact CB-CD2 4.15Å; L254-L265 WeakPolarHBondContact O-CD1 3.29Å; L258-L265 HydrophobicContact CB-CD1 4.07Å; L265-I267 HydrophobicContact CD2-CD1 3.85Å; L265-I267 HydrophobicContact CD2-CG1 4.17Å; L265-I267 HydrophobicContact CG-CD1 4.3Å; L265-I267 HydrophobicContact CG-CG1 4.08Å
266	H	98.9	Very high	92.2	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.5	176.4	-62.4	-59.9	0	0	0	109.7	L85 Y190 Y260 D262 F264	L85-H266 HydrophobicContact CD1-CB 4.25Å; L85-H266 HydrophobicContact CD2-CB 4.19Å; Y190-H266 HydrophobicContact CE2-CB 3.88Å; Y190-H266 AromaticContact CE2-ND1 3.51Å; Y190-H266 AromaticContact CZ-ND1 3.7Å; Y190-H266 PolarHBondContact OH-ND1 3.19Å; Y260-H266 HydrophobicContact CD2-CB 4.07Å; Y260-H266 AromaticContact CD2-CD2 3.45Å; Y260-H266 VanDerWaalsContact CD2-CD2 3.45Å; Y260-H266 WeakPolarHBondContact CD2-CD2 3.48Å; Y260-H266 HydrophobicContact CE2-CB 3.9Å; Y260-H266 AromaticContact CE2-CD2 4Å; Y260-H266 AromaticContact CG-CD2 3.66Å; D262-H266 IonicContact OD1-NE2 2.99Å; D262-H266 PolarHBondContact OD1-NE2 2.83Å; D262-H266 IonicContact OD2-CD2 3.94Å; D262-H266 IonicContact OD2-CE1 3.7Å; D262-H266 IonicContact OD2-NE2 3.79Å; D262-H266 PolarHBondContact OD2-NE2 3.27Å; F264-H266 VanDerWaalsContact CB-CE1 3.48Å; F264-H266 WeakPolarHBondContact CB-CE1 3.29Å; F264-H266 PolarHBondContact O-N 3.5Å
267	I	98.8	Very high	91.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.3	-172.1	-48.4	175.2	0	0	0	109.1	R188 I189 Y190 L215 L218 V238 I240 L265 I269	R188-I267 PolarHBondContact O-N 3.13Å; I189-I267 CarbonylContact C-O 3.52Å; I189-I267 WeakPolarHBondContact CA-O 3.23Å; I189-I267 HydrophobicContact CG1-CB 4.09Å; I189-I267 HydrophobicContact CG1-CD1 4.03Å; I189-I267 HydrophobicContact CG1-CG1 4.5Å; Y190-I267 PolarHBondContact N-O 3.5Å; L215-I267 HydrophobicContact CD1-CD1 4.19Å; L218-I267 HydrophobicContact CD2-CD1 4.02Å; V238-I267 HydrophobicContact CG1-CG2 3.64Å; I240-I267 HydrophobicContact CD1-CD1 4.39Å; I240-I267 HydrophobicContact CD1-CG1 3.92Å; I240-I267 HydrophobicContact CD1-CG2 4.37Å; I240-I267 HydrophobicContact CG1-CB 4.38Å; I240-I267 HydrophobicContact CG1-CG1 4.14Å; I240-I267 HydrophobicContact CG1-CG2 4.08Å; L265-I267 HydrophobicContact CD2-CD1 3.85Å; L265-I267 HydrophobicContact CD2-CG1 4.17Å; L265-I267 HydrophobicContact CG-CD1 4.3Å; L265-I267 HydrophobicContact CG-CG1 4.08Å; I267-I269 HydrophobicContact CG2-CD1 4.15Å
268	S	98.2	Very high	91.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.5	173.8	-65.9	0	0	0	0	109.9	L85 M239	L85-S268 WeakPolarHBondContact CD1-OG 3.31Å; M239-S268 PolarHBondContact N-O 3.06Å; M239-S268 PolarHBondContact O-N 3.24Å
269	I	96.3	Very high	91	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.1	168.4	-49.3	-63.8	0	0	0	107	I189 Y190 Q191 L219 A226 N236 Q237 V238 I267	I189-I269 HydrophobicContact CG2-CD1 4.33Å; I189-I269 HydrophobicContact CG2-CG1 3.59Å; Y190-I269 PolarHBondContact O-N 3.19Å; Q191-I269 HydrophobicContact CG-CB 3.64Å; Q191-I269 HydrophobicContact CG-CG1 4.14Å; Q191-I269 HydrophobicContact CG-CG2 4.24Å; L219-I269 HydrophobicContact CD2-CD1 4.1Å; A226-I269 HydrophobicContact CB-CD1 4.08Å; A226-I269 HydrophobicContact CB-CG1 4.4Å; A226-I269 HydrophobicContact CB-CG2 3.91Å; N236-I269 HydrophobicContact CB-CG2 3.58Å; Q237-I269 WeakPolarHBondContact O-CA 3.3Å; V238-I269 HydrophobicContact CB-CD1 4.28Å; V238-I269 HydrophobicContact CG1-CD1 4.02Å; V238-I269 HydrophobicContact CG2-CD1 3.89Å; I267-I269 HydrophobicContact CG2-CD1 4.15Å
270	I	92.9	Very high	90.5	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.6	-176.2	63.5	-178.5	0	0	0	110.4	L89 S92 N236 Q237 M239	L89-I270 HydrophobicContact CD1-CG2 4.44Å; S92-I270 VanDerWaalsContact OG-CD1 3.3Å; S92-I270 WeakPolarHBondContact OG-CD1 3.17Å; N236-I270 WeakPolarHBondContact CB-O 3.43Å; Q237-I270 HydrophobicContact CB-CD1 4.41Å; Q237-I270 HydrophobicContact CB-CG1 3.72Å; Q237-I270 PolarHBondContact N-O 3.1Å; Q237-I270 PolarHBondContact O-N 3.29Å; Q237-I270 VanDerWaalsContact O-N 3.08Å; M239-I270 HydrophobicContact CE-CD1 3.65Å; M239-I270 HydrophobicContact SD-CD1 4.14Å
271	P	87.9	Confident	90	Very high	82 Å²	82	45.1 Å²	45.1	53%	0.532	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-54.9	146.4	172.2	-22.2	33.4	0	0	0	110.8
272	Q	81.8	Confident	89.3	Confident	127 Å²	127	47.9 Å²	47.9	59%	0.593	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-63.4	138.7	173.2	-152.4	166.1	31.5	0	0	109.5	Q237 T274	Q237-Q272 HydrophobicContact CG-CG 4.31Å; Q272-T274 PolarHBondContact O-N 3.01Å
273	P	74.9	Confident	88.6	Confident	65 Å²	65	51.4 Å²	51.4	42%	0.422	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-56.7	129.8	178.5	-24.2	31.5	0	0	0	110.5	Q237	Q237-P273 VanDerWaalsContact CD-CD 3.42Å
274	T	68.8	Low	87.7	Confident	139 Å²	139	55.7 Å²	55.7	85%	0.853	31%	0.313	S	S	*	.			trans	-87.7	107	164.9	54.1	0	0	0	0	106.6	Q272	Q272-T274 PolarHBondContact O-N 3.01Å
275	D	56.5	Low	86.7	Confident	233 Å²	233	60.7 Å²	60.7	100%	1.246	34%	0.342	S	S	*	.			trans	-55.6	0	172.1	-70.1	-27.5	0	0	0	112.1

Retrieved 275 of 275 residues in 2108.4 ms (Link to these results)

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