A0A096N0K8_PAPAN Loading...

Serpin B5

Tumor suppressor. It blocks the growth, invasion, and metastatic properties of mammary tumors. As it does not undergo the S (stressed) to R (relaxed) conformational transition characteristic of active serpins, it exhibits no serine protease inhibitory activity.

AlphaFold DB , UniProt , Accession A0A096N0K8, Species PAPAN (Papio anubis, Olive baboon), Gene SERPINB5, Length 375 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	70.8	Confident	93.9	Very high	97 Å²	97	32.6 Å²	32.6	48%	0.478	19%	0.186	S	C	.	.				0	-56.1	0	-69.2	-54.1	-70.4	0	0	111.4	A3 L4 Q5 T72 V73 T363	M1-A3 PolarHBondContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-Q5 PolarHBondContact O-N 2.9Å; M1-Q5 VanDerWaalsContact O-N 3.12Å; M1-T72 HydrophobicContact CE-CG2 3.53Å; M1-T72 HydrophobicContact SD-CG2 4.26Å; M1-V73 HydrophobicContact CE-CG2 4.06Å; M1-T363 HydrophobicContact CE-CG2 4.5Å
2	D	83.8	Confident	94.3	Very high	112 Å²	112	29.9 Å²	29.9	60%	0.599	17%	0.171	S	C	*	.	H	α-helix	trans	-62.2	-43.4	-177.6	-61.2	-11.4	0	0	0	113.6	L4 Q5 L6	D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.67Å; D2-Q5 PolarHBondContact O-N 3.49Å; D2-Q5 VanDerWaalsContact O-N 3.11Å; D2-L6 WeakPolarHBondContact O-CG 3.41Å; D2-L6 PolarHBondContact O-N 3.29Å
3	A	94.6	Very high	94.6	Very high	47 Å²	47	27.6 Å²	27.6	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-58.7	-40.6	176.1	0	0	0	0	0	112.8	M1 Q5 L6 A7 V63	M1-A3 PolarHBondContact O-N 3.09Å; A3-Q5 VanDerWaalsContact C-N 3.35Å; A3-L6 PolarHBondContact O-N 3.12Å; A3-A7 WeakPolarHBondContact O-CB 3.41Å; A3-A7 PolarHBondContact O-N 3.08Å; A3-V63 HydrophobicContact CB-CG2 4.28Å
4	L	97.4	Very high	94.9	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-39	176.2	179.1	61	0	0	0	111.5	M1 D2 L6 A7 N8 F60 V63 V66 G69 F70	M1-L4 PolarHBondContact O-N 3.23Å; D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.67Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-A7 WeakPolarHBondContact O-CB 3.2Å; L4-A7 PolarHBondContact O-N 3.07Å; L4-N8 WeakPolarHBondContact O-CB 3.32Å; L4-N8 VanDerWaalsContact O-CG 3.23Å; L4-N8 PolarHBondContact O-N 3.44Å; L4-N8 PolarHBondContact O-ND2 2.86Å; L4-F60 HydrophobicContact CD1-CD1 3.99Å; L4-F60 HydrophobicContact CD1-CE1 3.5Å; L4-F60 VanDerWaalsContact CD1-CE1 3.5Å; L4-F60 HydrophobicContact CD1-CZ 4.22Å; L4-V63 HydrophobicContact CB-CG1 3.72Å; L4-V63 HydrophobicContact CD1-CG1 4.05Å; L4-V63 HydrophobicContact CG-CG1 4.42Å; L4-V66 HydrophobicContact CD1-CG1 4.42Å; L4-G69 VanDerWaalsContact CD2-C 3.5Å; L4-F70 HydrophobicContact CD1-CE2 3.85Å; L4-F70 HydrophobicContact CD1-CZ 3.99Å; L4-F70 HydrophobicContact CD2-CD2 4.25Å; L4-F70 HydrophobicContact CD2-CE2 4.31Å; L4-F70 HydrophobicContact CD2-CG 4.41Å
5	Q	96.8	Very high	95.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-42.3	176	176.1	-92.2	-61.3	0	0	111.6	M1 D2 A3 A7 N8 S9 T363 R364	M1-Q5 PolarHBondContact O-N 2.9Å; M1-Q5 VanDerWaalsContact O-N 3.12Å; D2-Q5 PolarHBondContact O-N 3.49Å; D2-Q5 VanDerWaalsContact O-N 3.11Å; A3-Q5 VanDerWaalsContact C-N 3.35Å; Q5-A7 VanDerWaalsContact C-N 3.34Å; Q5-N8 PolarHBondContact O-N 2.87Å; Q5-S9 PolarHBondContact NE2-OG 3.38Å; Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.99Å; Q5-S9 PolarHBondContact O-OG 3.11Å; Q5-T363 VanDerWaalsContact CG-O 3.31Å; Q5-T363 WeakPolarHBondContact CG-O 3.16Å; Q5-R364 HydrophobicContact CG-CB 3.98Å; Q5-R364 WeakPolarHBondContact CG-O 3.34Å
6	L	97.3	Very high	95.4	Very high	77 Å²	77	25.6 Å²	25.6	40%	0.403	15%	0.145	S	C	.	.	H	α-helix	trans	-61.2	-45.3	176.7	-64.4	175.4	0	0	0	111	D2 A3 L4 S9 A10 L256	D2-L6 WeakPolarHBondContact O-CG 3.41Å; D2-L6 PolarHBondContact O-N 3.29Å; A3-L6 PolarHBondContact O-N 3.12Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-S9 PolarHBondContact O-N 3.23Å; L6-A10 PolarHBondContact O-N 2.9Å; L6-L256 HydrophobicContact CD2-CD1 3.28Å; L6-L256 HydrophobicContact CD2-CD2 4.21Å; L6-L256 HydrophobicContact CD2-CG 4.4Å
7	A	98.4	Very high	95.6	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-51.3	175	0	0	0	0	0	112.3	A3 L4 Q5 S9 A10 F11 H59 F60 V63	A3-A7 WeakPolarHBondContact O-CB 3.41Å; A3-A7 PolarHBondContact O-N 3.08Å; L4-A7 WeakPolarHBondContact O-CB 3.2Å; L4-A7 PolarHBondContact O-N 3.07Å; Q5-A7 VanDerWaalsContact C-N 3.34Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.93Å; A7-A10 WeakPolarHBondContact O-CB 3.34Å; A7-A10 PolarHBondContact O-N 3.05Å; A7-A10 VanDerWaalsContact O-N 3.12Å; A7-F11 PolarHBondContact O-N 2.97Å; A7-H59 HydrophobicContact CB-CB 3.9Å; A7-H59 WeakPolarHBondContact CB-O 3.28Å; A7-F60 HydrophobicContact CB-CD1 3.99Å; A7-F60 HydrophobicContact CB-CE1 4.31Å; A7-V63 HydrophobicContact CB-CG2 3.91Å
8	N	98.4	Very high	95.7	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-39.3	177.5	-72.1	-19.5	0	0	0	112.1	L4 Q5 A12 I33 S36 F70 N365	L4-N8 WeakPolarHBondContact O-CB 3.32Å; L4-N8 VanDerWaalsContact O-CG 3.23Å; L4-N8 PolarHBondContact O-N 3.44Å; L4-N8 PolarHBondContact O-ND2 2.86Å; Q5-N8 PolarHBondContact O-N 2.87Å; N8-A12 WeakPolarHBondContact O-CB 3.41Å; N8-A12 PolarHBondContact O-N 2.91Å; N8-I33 WeakPolarHBondContact ND2-CD1 3.12Å; N8-S36 WeakPolarHBondContact OD1-CB 3.44Å; N8-F70 WeakPolarHBondContact OD1-CZ 3.25Å; N8-N365 PolarHBondContact ND2-OD1 2.59Å
9	S	98.1	Very high	95.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-69.3	-34.5	176.5	-72.7	0	0	0	0	112.7	Q5 L6 A7 A12 V13	Q5-S9 PolarHBondContact NE2-OG 3.38Å; Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.99Å; Q5-S9 PolarHBondContact O-OG 3.11Å; L6-S9 PolarHBondContact O-N 3.23Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.93Å; S9-A12 PolarHBondContact O-N 2.69Å; S9-V13 WeakPolarHBondContact O-CG2 3.15Å; S9-V13 PolarHBondContact O-N 3.19Å; S9-V13 VanDerWaalsContact O-N 3.12Å
10	A	98.6	Very high	95.9	Very high	8 Å²	8	25.8 Å²	25.8	7%	0.066	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-53.4	174.7	0	0	0	0	0	111.3	L6 A7 A12 V13 D14 H59	L6-A10 PolarHBondContact O-N 2.9Å; A7-A10 WeakPolarHBondContact O-CB 3.34Å; A7-A10 PolarHBondContact O-N 3.05Å; A7-A10 VanDerWaalsContact O-N 3.12Å; A10-A12 PolarHBondContact O-N 3.29Å; A10-V13 PolarHBondContact O-N 3.31Å; A10-D14 PolarHBondContact O-N 3.1Å; A10-H59 HydrophobicContact CB-CB 4.35Å
11	F	98.8	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.3	-40.8	173.3	170	-106.7	0	0	0	112.5	A7 V13 D14 L15 L35 S36 L39 V57 L58 L288 L291	A7-F11 PolarHBondContact O-N 2.97Å; F11-V13 VanDerWaalsContact C-N 3.31Å; F11-V13 PolarHBondContact O-N 3.05Å; F11-D14 PolarHBondContact O-N 3.19Å; F11-L15 HydrophobicContact CE1-CD2 4.19Å; F11-L15 HydrophobicContact CE2-CB 4.36Å; F11-L15 HydrophobicContact CE2-CD2 4.47Å; F11-L15 HydrophobicContact CZ-CB 4.37Å; F11-L15 HydrophobicContact CZ-CD2 3.78Å; F11-L15 WeakPolarHBondContact O-CB 3.33Å; F11-L15 PolarHBondContact O-N 2.9Å; F11-L35 HydrophobicContact CE1-CB 4.01Å; F11-L35 HydrophobicContact CZ-CB 4.31Å; F11-S36 WeakPolarHBondContact CD1-OG 3.19Å; F11-L39 HydrophobicContact CZ-CD1 4.36Å; F11-V57 HydrophobicContact CD2-CG1 4.14Å; F11-V57 WeakPolarHBondContact CD2-O 3.4Å; F11-V57 HydrophobicContact CE2-CG1 4.11Å; F11-L58 HydrophobicContact CB-CD2 4.5Å; F11-L58 HydrophobicContact CD1-CD2 3.94Å; F11-L58 HydrophobicContact CD2-CD2 3.71Å; F11-L58 HydrophobicContact CE1-CD2 4.02Å; F11-L58 HydrophobicContact CE2-CD2 3.79Å; F11-L58 HydrophobicContact CG-CD2 3.76Å; F11-L58 HydrophobicContact CZ-CD2 3.94Å; F11-L288 HydrophobicContact CE2-CD2 3.8Å; F11-L288 HydrophobicContact CZ-CD2 3.96Å; F11-L291 HydrophobicContact CE2-CD1 4.38Å
12	A	98.8	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-41	177.6	0	0	0	0	0	112.3	N8 S9 A10 F16 P32 I366 F369	N8-A12 WeakPolarHBondContact O-CB 3.41Å; N8-A12 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 2.69Å; A10-A12 PolarHBondContact O-N 3.29Å; A12-F16 WeakPolarHBondContact O-CB 3.41Å; A12-F16 PolarHBondContact O-N 3.26Å; A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.74Å; A12-I366 HydrophobicContact CB-CD1 4.2Å; A12-F369 HydrophobicContact CB-CD1 4.09Å; A12-F369 HydrophobicContact CB-CE1 4.49Å
13	V	98.7	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.7	-44.2	176.9	171.5	0	0	0	0	111.3	S9 A10 F11 L15 F16 K17 L250 L255 F369	S9-V13 WeakPolarHBondContact O-CG2 3.15Å; S9-V13 PolarHBondContact O-N 3.19Å; S9-V13 VanDerWaalsContact O-N 3.12Å; A10-V13 PolarHBondContact O-N 3.31Å; F11-V13 VanDerWaalsContact C-N 3.31Å; F11-V13 PolarHBondContact O-N 3.05Å; V13-L15 PolarHBondContact O-N 3.11Å; V13-F16 PolarHBondContact O-N 3.11Å; V13-K17 PolarHBondContact O-N 3.24Å; V13-L250 HydrophobicContact CG1-CD2 4.27Å; V13-L250 HydrophobicContact CG1-CG 3.87Å; V13-L255 HydrophobicContact CG2-CB 4.24Å; V13-L255 HydrophobicContact CG2-CD2 3.53Å; V13-F369 HydrophobicContact CG2-CE1 4.05Å
14	D	98.6	Very high	97.6	Very high	50 Å²	50	31.4 Å²	31.4	27%	0.267	16%	0.158	S	C	.	.	H	α-helix	trans	-61.4	-47.3	-179	-65.8	-20.8	0	0	0	111.3	A10 F11 K17 Q18 H59 L291	A10-D14 PolarHBondContact O-N 3.1Å; F11-D14 PolarHBondContact O-N 3.19Å; D14-K17 PolarHBondContact O-N 2.83Å; D14-Q18 PolarHBondContact O-N 2.89Å; D14-H59 IonicContact OD2-CD2 2.78Å; D14-H59 IonicContact OD2-CE1 3.97Å; D14-H59 PolarHBondContact OD2-CE1 3.22Å; D14-H59 IonicContact OD2-NE2 3.69Å; D14-H59 PolarHBondContact OD2-NE2 3.47Å; D14-L291 HydrophobicContact CB-CD1 4.22Å; D14-L291 HydrophobicContact CB-CD2 3.82Å
15	L	98.8	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.8	-38.6	176.2	-178.1	59	0	0	0	112	F11 V13 K17 Q18 L19 F30 L35 L291	F11-L15 HydrophobicContact CE1-CD2 4.19Å; F11-L15 HydrophobicContact CE2-CB 4.36Å; F11-L15 HydrophobicContact CE2-CD2 4.47Å; F11-L15 HydrophobicContact CZ-CB 4.37Å; F11-L15 HydrophobicContact CZ-CD2 3.78Å; F11-L15 WeakPolarHBondContact O-CB 3.33Å; F11-L15 PolarHBondContact O-N 2.9Å; V13-L15 PolarHBondContact O-N 3.11Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.12Å; L15-Q18 PolarHBondContact O-N 3.5Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.22Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.45Å; L15-F30 HydrophobicContact CB-CE2 4.35Å; L15-F30 HydrophobicContact CB-CZ 4.35Å; L15-F30 HydrophobicContact CD2-CD2 4.02Å; L15-F30 HydrophobicContact CD2-CE2 3.64Å; L15-F30 HydrophobicContact CD2-CZ 4.38Å; L15-F30 HydrophobicContact CG-CE2 4.04Å; L15-F30 HydrophobicContact CG-CZ 4.3Å; L15-L35 HydrophobicContact CD2-CD1 3.44Å; L15-L35 VanDerWaalsContact CD2-CD1 3.44Å; L15-L291 HydrophobicContact CB-CD1 4.27Å
16	F	98.7	Very high	97.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-43.6	176	174.2	-101.4	0	0	0	111.5	A12 V13 Q18 L19 C20 V28 F30 L250 I355 F369 K371	A12-F16 WeakPolarHBondContact O-CB 3.41Å; A12-F16 PolarHBondContact O-N 3.26Å; V13-F16 PolarHBondContact O-N 3.11Å; F16-Q18 PolarHBondContact O-N 3.34Å; F16-L19 PolarHBondContact O-N 3.25Å; F16-C20 WeakPolarHBondContact CZ-SG 3.37Å; F16-C20 PolarHBondContact O-N 3.49Å; F16-V28 HydrophobicContact CD2-CG1 4.08Å; F16-V28 HydrophobicContact CE2-CB 4.36Å; F16-V28 HydrophobicContact CE2-CG1 4.12Å; F16-F30 HydrophobicContact CB-CE1 3.93Å; F16-F30 HydrophobicContact CB-CZ 4.16Å; F16-F30 HydrophobicContact CD2-CE1 4.11Å; F16-L250 HydrophobicContact CD1-CD2 3.6Å; F16-L250 HydrophobicContact CE1-CD2 3.68Å; F16-I355 HydrophobicContact CE1-CD1 3.92Å; F16-I355 HydrophobicContact CE1-CG1 4.49Å; F16-I355 HydrophobicContact CZ-CD1 3.95Å; F16-I355 HydrophobicContact CZ-CG1 4.03Å; F16-I355 HydrophobicContact CZ-CG2 4.17Å; F16-F369 HydrophobicContact CB-CD1 4.08Å; F16-F369 HydrophobicContact CB-CE1 3.95Å; F16-F369 HydrophobicContact CB-CE2 4.45Å; F16-F369 HydrophobicContact CB-CG 4.42Å; F16-F369 HydrophobicContact CB-CZ 4.16Å; F16-F369 HydrophobicContact CD1-CE1 4.5Å; F16-F369 AromaticContact CD1-CE2 3.91Å; F16-F369 HydrophobicContact CD1-CE2 3.91Å; F16-F369 AromaticContact CD1-CZ 3.87Å; F16-F369 HydrophobicContact CD1-CZ 3.87Å; F16-F369 AromaticContact CD2-CD2 3.59Å; F16-F369 HydrophobicContact CD2-CD2 3.59Å; F16-F369 AromaticContact CD2-CE2 3.71Å; F16-F369 HydrophobicContact CD2-CE2 3.71Å; F16-F369 HydrophobicContact CD2-CG 4.04Å; F16-F369 HydrophobicContact CD2-CZ 4.25Å; F16-F369 HydrophobicContact CE1-CE2 4.02Å; F16-F369 HydrophobicContact CE1-CZ 4.32Å; F16-F369 AromaticContact CE2-CD2 3.81Å; F16-F369 HydrophobicContact CE2-CD2 3.81Å; F16-F369 AromaticContact CE2-CE2 3.82Å; F16-F369 HydrophobicContact CE2-CE2 3.82Å; F16-F369 HydrophobicContact CG-CD1 4.34Å; F16-F369 HydrophobicContact CG-CD2 4Å; F16-F369 HydrophobicContact CG-CE1 4.12Å; F16-F369 AromaticContact CG-CE2 3.74Å; F16-F369 HydrophobicContact CG-CE2 3.74Å; F16-F369 HydrophobicContact CG-CG 4.32Å; F16-F369 AromaticContact CG-CZ 3.82Å; F16-F369 HydrophobicContact CG-CZ 3.82Å; F16-F369 HydrophobicContact CZ-CD2 4.41Å; F16-F369 AromaticContact CZ-CE2 3.97Å; F16-F369 HydrophobicContact CZ-CE2 3.97Å; F16-K371 HydrophobicContact CE2-CB 4.13Å; F16-K371 HydrophobicContact CZ-CB 4.08Å
17	K	98.1	Very high	97.5	Very high	65 Å²	65	35.1 Å²	35.1	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-46	175.3	-72.8	-176.6	174.1	-173.1	0	112.5	V13 D14 L15 L19 C20 E21 E247 L250	V13-K17 PolarHBondContact O-N 3.24Å; D14-K17 PolarHBondContact O-N 2.83Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.12Å; K17-L19 PolarHBondContact O-N 3.37Å; K17-C20 PolarHBondContact O-N 3.32Å; K17-C20 VanDerWaalsContact O-N 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.17Å; K17-E247 WeakPolarHBondContact CE-O 3.25Å; K17-L250 WeakPolarHBondContact CE-O 3.34Å; K17-L250 PolarHBondContact NZ-O 3.43Å
18	Q	98.2	Very high	97.5	Very high	25 Å²	25	35.1 Å²	35.1	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-32.9	176.6	-71.1	-61.5	-63.6	0	0	112.9	D14 L15 F16 E21 N290 L291	D14-Q18 PolarHBondContact O-N 2.89Å; L15-Q18 PolarHBondContact O-N 3.5Å; F16-Q18 PolarHBondContact O-N 3.34Å; Q18-E21 PolarHBondContact NE2-OE2 2.87Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-N290 PolarHBondContact OE1-ND2 2.78Å; Q18-L291 HydrophobicContact CG-CD1 4.46Å; Q18-L291 HydrophobicContact CG-CD2 3.93Å; Q18-L291 HydrophobicContact CG-CG 4.04Å
19	L	98.1	Very high	97.5	Very high	10 Å²	10	35 Å²	35	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-77.3	-37.5	175.6	-63.8	175.6	0	0	0	112.1	L15 F16 K17 E21 K22 E23 V28 F30 I282	L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.22Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.45Å; F16-L19 PolarHBondContact O-N 3.25Å; K17-L19 PolarHBondContact O-N 3.37Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 3.15Å; L19-K22 PolarHBondContact O-N 2.94Å; L19-E23 PolarHBondContact O-N 3.18Å; L19-V28 HydrophobicContact CB-CG1 3.88Å; L19-V28 HydrophobicContact CD1-CG1 4.24Å; L19-F30 HydrophobicContact CD1-CB 4.23Å; L19-F30 HydrophobicContact CD1-CD1 3.57Å; L19-F30 HydrophobicContact CD1-CD2 4.37Å; L19-F30 HydrophobicContact CD1-CE1 3.95Å; L19-F30 HydrophobicContact CD1-CG 3.8Å; L19-F30 HydrophobicContact CD1-CZ 4.49Å; L19-I282 HydrophobicContact CD1-CD1 3.75Å; L19-I282 HydrophobicContact CD2-CD1 3.99Å
20	C	96.4	Very high	97.5	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-37.6	172.9	-80.3	0	0	0	0	112.2	F16 K17 K22 E23 P24 E247	F16-C20 WeakPolarHBondContact CZ-SG 3.37Å; F16-C20 PolarHBondContact O-N 3.49Å; K17-C20 PolarHBondContact O-N 3.32Å; K17-C20 VanDerWaalsContact O-N 3.17Å; C20-K22 VanDerWaalsContact C-N 3.28Å; C20-K22 PolarHBondContact O-N 3.23Å; C20-E23 CarbonylContact O-C 3.43Å; C20-E23 PolarHBondContact O-N 3.49Å; C20-P24 WeakPolarHBondContact O-CA 3.49Å; C20-P24 VanDerWaalsContact O-N 3.08Å; C20-E247 PolarHBondContact SG-OE1 3.31Å
21	E	95.7	Very high	97.5	Very high	132 Å²	132	34.5 Å²	34.5	62%	0.617	18%	0.177	S	C	*	.	H	α-helix	trans	-62.9	-34.7	175.4	-73.6	173.4	-175	0	0	112.5	K17 Q18 L19	K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.17Å; Q18-E21 PolarHBondContact NE2-OE2 2.87Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 3.15Å
22	K	95.8	Very high	97.5	Very high	100 Å²	100	34.6 Å²	34.6	44%	0.435	18%	0.177	S	C	.	.	H	α-helix	trans	-76.7	-32.5	176.3	-72.2	178.5	172.8	174.2	0	113	L19 C20 P24 S287	L19-K22 PolarHBondContact O-N 2.94Å; C20-K22 VanDerWaalsContact C-N 3.28Å; C20-K22 PolarHBondContact O-N 3.23Å; K22-P24 VanDerWaalsContact C-CD 3.42Å; K22-P24 WeakPolarHBondContact O-CD 3.44Å; K22-S287 WeakPolarHBondContact CE-OG 3.46Å; K22-S287 PolarHBondContact NZ-OG 2.86Å
23	E	94.6	Very high	97.5	Very high	91 Å²	91	34.9 Å²	34.9	43%	0.425	18%	0.179	S	C	.	.	S	Bend	trans	-125.2	62.1	-176.3	-67.9	-74.6	161.8	0	0	110.8	L19 C20 L25 G26 V28	L19-E23 PolarHBondContact O-N 3.18Å; C20-E23 CarbonylContact O-C 3.43Å; C20-E23 PolarHBondContact O-N 3.49Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.07Å; E23-G26 PolarHBondContact O-N 3.06Å; E23-G26 VanDerWaalsContact O-N 3.15Å; E23-V28 HydrophobicContact CB-CG2 4.11Å
24	P	94.7	Very high	97.5	Very high	76 Å²	76	34.9 Å²	34.9	49%	0.494	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.8	-168.6	22.7	-33.8	0	0	0	113.1	C20 K22 K371	C20-P24 WeakPolarHBondContact O-CA 3.49Å; C20-P24 VanDerWaalsContact O-N 3.08Å; K22-P24 VanDerWaalsContact C-CD 3.42Å; K22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-K371 PolarHBondContact O-NZ 3.43Å
25	L	95.2	Very high	97.5	Very high	118 Å²	118	32.6 Å²	32.6	62%	0.618	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.7	178.9	-55.8	179	0	0	0	112.9	E23 T241 C373	E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.07Å; L25-T241 HydrophobicContact CD2-CG2 4.05Å; L25-C373 WeakPolarHBondContact O-CB 3.27Å
26	G	96.1	Very high	97.5	Very high	17 Å²	17	32.6 Å²	32.6	18%	0.175	17%	0.166	C	C	.	.	S	Bend	trans	-92.9	161.8	-172.8	0	0	0	0	0	112.9	E23	E23-G26 PolarHBondContact O-N 3.06Å; E23-G26 VanDerWaalsContact O-N 3.15Å
27	N	98.4	Very high	97.5	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.128	17%	0.166	C	C	.	.			trans	-67.4	134.9	166.7	-65.6	-20.8	0	0	0	109.7	V278 K280 K371 F372 C373 S374	N27-V278 HydrophobicContact CB-CG1 4.38Å; N27-K280 WeakPolarHBondContact O-CE 3.36Å; N27-K280 PolarHBondContact O-NZ 3.04Å; N27-K371 VanDerWaalsContact CA-O 3.26Å; N27-K371 WeakPolarHBondContact CA-O 3.35Å; N27-F372 WeakPolarHBondContact OD1-CA 3.47Å; N27-C373 PolarHBondContact OD1-N 3.47Å; N27-S374 PolarHBondContact ND2-O 2.65Å; N27-S374 PolarHBondContact OD1-N 3.38Å; N27-S374 PolarHBondContact OD1-O 2.85Å
28	V	98.6	Very high	97.6	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.8	171.1	175.5	0	0	0	0	107.8	F16 L19 E23 F30 G370 K371	F16-V28 HydrophobicContact CD2-CG1 4.08Å; F16-V28 HydrophobicContact CE2-CB 4.36Å; F16-V28 HydrophobicContact CE2-CG1 4.12Å; L19-V28 HydrophobicContact CB-CG1 3.88Å; L19-V28 HydrophobicContact CD1-CG1 4.24Å; E23-V28 HydrophobicContact CB-CG2 4.11Å; V28-F30 HydrophobicContact CG1-CD1 4.41Å; V28-G370 CarbonylContact O-C 3.58Å; V28-G370 WeakPolarHBondContact O-CA 3.33Å; V28-K371 HydrophobicContact CB-CB 4.14Å; V28-K371 PolarHBondContact N-O 2.93Å; V28-K371 PolarHBondContact O-N 3.43Å
29	L	98.8	Very high	97.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	126.3	171.9	173.6	63.4	0	0	0	109.4	V278 K280 V322 L324 Y356 F368 F369	L29-V278 HydrophobicContact CB-CG1 3.82Å; L29-V278 HydrophobicContact CD2-CB 3.96Å; L29-V278 HydrophobicContact CD2-CG1 3.73Å; L29-V278 WeakPolarHBondContact CD2-O 3.49Å; L29-V278 HydrophobicContact CG-CG1 4.44Å; L29-K280 HydrophobicContact CB-CB 4.25Å; L29-K280 HydrophobicContact CB-CG 4.09Å; L29-V322 HydrophobicContact CD1-CG1 4.05Å; L29-V322 HydrophobicContact CD2-CB 4.38Å; L29-V322 HydrophobicContact CD2-CG1 3.87Å; L29-V322 HydrophobicContact CG-CB 4.15Å; L29-V322 HydrophobicContact CG-CG1 3.71Å; L29-L324 HydrophobicContact CD1-CB 4.26Å; L29-L324 HydrophobicContact CD1-CD2 4.45Å; L29-L324 HydrophobicContact CD2-CB 3.67Å; L29-Y356 HydrophobicContact CD1-CE2 4.35Å; L29-F368 HydrophobicContact CD1-CB 4.32Å; L29-F368 HydrophobicContact CD1-CD1 4.48Å; L29-F369 WeakPolarHBondContact CA-O 3.08Å
30	F	98.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	170.8	171.3	76.7	-71.3	0	0	0	111.2	L15 F16 L19 V28 P32 L35 I282 F368 F369	L15-F30 HydrophobicContact CB-CE2 4.35Å; L15-F30 HydrophobicContact CB-CZ 4.35Å; L15-F30 HydrophobicContact CD2-CD2 4.02Å; L15-F30 HydrophobicContact CD2-CE2 3.64Å; L15-F30 HydrophobicContact CD2-CZ 4.38Å; L15-F30 HydrophobicContact CG-CE2 4.04Å; L15-F30 HydrophobicContact CG-CZ 4.3Å; F16-F30 HydrophobicContact CB-CE1 3.93Å; F16-F30 HydrophobicContact CB-CZ 4.16Å; F16-F30 HydrophobicContact CD2-CE1 4.11Å; L19-F30 HydrophobicContact CD1-CB 4.23Å; L19-F30 HydrophobicContact CD1-CD1 3.57Å; L19-F30 HydrophobicContact CD1-CD2 4.37Å; L19-F30 HydrophobicContact CD1-CE1 3.95Å; L19-F30 HydrophobicContact CD1-CG 3.8Å; L19-F30 HydrophobicContact CD1-CZ 4.49Å; V28-F30 HydrophobicContact CG1-CD1 4.41Å; F30-P32 HydrophobicContact CD2-CB 4.33Å; F30-P32 HydrophobicContact CE2-CB 3.58Å; F30-P32 HydrophobicContact CE2-CG 4.1Å; F30-P32 HydrophobicContact CZ-CB 4.14Å; F30-P32 HydrophobicContact CZ-CG 4.38Å; F30-P32 WeakPolarHBondContact O-CD 3.46Å; F30-L35 HydrophobicContact CD2-CD1 4.17Å; F30-I282 HydrophobicContact CB-CD1 3.88Å; F30-F368 WeakPolarHBondContact O-CA 3.34Å; F30-F369 HydrophobicContact CD1-CB 4.25Å; F30-F369 WeakPolarHBondContact CD1-O 3.42Å; F30-F369 HydrophobicContact CE1-CB 3.7Å; F30-F369 HydrophobicContact CE1-CD1 4.47Å; F30-F369 HydrophobicContact CE1-CG 4.2Å; F30-F369 HydrophobicContact CZ-CB 4.12Å; F30-F369 HydrophobicContact CZ-CD1 4.44Å; F30-F369 PolarHBondContact N-O 3.45Å; F30-F369 PolarHBondContact O-N 3.06Å
31	S	98.8	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.			trans	-111.8	93.5	176.7	173.6	0	0	0	0	109.6	I33 C34 L35 H320 I367	S31-I33 VanDerWaalsContact C-N 3.25Å; S31-I33 PolarHBondContact O-N 3.25Å; S31-C34 PolarHBondContact O-N 3.01Å; S31-C34 PolarHBondContact OG-SG 3.03Å; S31-L35 PolarHBondContact O-N 3.36Å; S31-H320 PolarHBondContact N-NE2 2.81Å; S31-H320 PolarHBondContact O-CE1 2.82Å; S31-I367 VanDerWaalsContact CA-O 3.29Å; S31-I367 WeakPolarHBondContact CA-O 3.49Å; S31-I367 WeakPolarHBondContact CB-O 3.36Å; S31-I367 PolarHBondContact OG-O 2.56Å
32	P	98.7	Very high	97.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-38.9	-178.1	19.1	-29.8	0	0	0	111.9	A12 F30 C34 L35 S36 I366 F369	A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.74Å; F30-P32 HydrophobicContact CD2-CB 4.33Å; F30-P32 HydrophobicContact CE2-CB 3.58Å; F30-P32 HydrophobicContact CE2-CG 4.1Å; F30-P32 HydrophobicContact CZ-CB 4.14Å; F30-P32 HydrophobicContact CZ-CG 4.38Å; F30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-C34 VanDerWaalsContact C-N 3.3Å; P32-C34 PolarHBondContact O-N 3.36Å; P32-L35 PolarHBondContact O-N 2.88Å; P32-L35 VanDerWaalsContact O-N 3.15Å; P32-S36 PolarHBondContact O-N 3.11Å; P32-S36 PolarHBondContact O-OG 2.91Å; P32-S36 VanDerWaalsContact O-OG 3.09Å; P32-I366 HydrophobicContact CG-CB 4.08Å; P32-I366 HydrophobicContact CG-CG2 3.74Å; P32-F369 HydrophobicContact CG-CB 4.31Å
33	I	98.5	Very high	98	Very high	7 Å²	7	19 Å²	19	4%	0.036	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-36.4	-178.7	-165.6	63.3	0	0	0	112.7	N8 S31 T37 F70 V73 L88 N365 I367	N8-I33 WeakPolarHBondContact ND2-CD1 3.12Å; S31-I33 VanDerWaalsContact C-N 3.25Å; S31-I33 PolarHBondContact O-N 3.25Å; I33-T37 WeakPolarHBondContact O-CB 3.27Å; I33-T37 PolarHBondContact O-N 3.25Å; I33-T37 PolarHBondContact O-OG1 3.42Å; I33-F70 HydrophobicContact CD1-CE1 3.94Å; I33-V73 HydrophobicContact CD1-CG1 3.99Å; I33-V73 HydrophobicContact CG1-CG1 3.98Å; I33-L88 HydrophobicContact CG2-CD1 3.85Å; I33-N365 HydrophobicContact CD1-CB 4.25Å; I33-I367 HydrophobicContact CG2-CD1 3.94Å; I33-I367 HydrophobicContact CG2-CG2 4.42Å
34	C	98.6	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-43.8	176.4	-72.4	0	0	0	0	111.3	S31 P32 T37 S38 K90 N163	S31-C34 PolarHBondContact O-N 3.01Å; S31-C34 PolarHBondContact OG-SG 3.03Å; P32-C34 VanDerWaalsContact C-N 3.3Å; P32-C34 PolarHBondContact O-N 3.36Å; C34-T37 PolarHBondContact O-N 3.27Å; C34-S38 PolarHBondContact O-N 3.07Å; C34-S38 PolarHBondContact O-OG 3.06Å; C34-S38 VanDerWaalsContact O-OG 3.12Å; C34-K90 HydrophobicContact CB-CD 4.37Å; C34-K90 HydrophobicContact CB-CG 3.88Å; C34-N163 HydrophobicContact CB-CB 4.13Å
35	L	98.7	Very high	98.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-46.2	177.4	-76.3	166.6	0	0	0	111.8	F11 L15 F30 S31 P32 T37 S38 L39 P284 V318 H320	F11-L35 HydrophobicContact CE1-CB 4.01Å; F11-L35 HydrophobicContact CZ-CB 4.31Å; L15-L35 HydrophobicContact CD2-CD1 3.44Å; L15-L35 VanDerWaalsContact CD2-CD1 3.44Å; F30-L35 HydrophobicContact CD2-CD1 4.17Å; S31-L35 PolarHBondContact O-N 3.36Å; P32-L35 PolarHBondContact O-N 2.88Å; P32-L35 VanDerWaalsContact O-N 3.15Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.05Å; L35-S38 PolarHBondContact O-N 2.88Å; L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 2.86Å; L35-P284 HydrophobicContact CD2-CG 4.1Å; L35-V318 HydrophobicContact CD2-CG1 3.99Å; L35-H320 WeakPolarHBondContact CG-ND1 3.4Å
36	S	98.8	Very high	98.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.1	-39.5	178	-53.6	0	0	0	0	112	N8 F11 P32 S40	N8-S36 WeakPolarHBondContact OD1-CB 3.44Å; F11-S36 WeakPolarHBondContact CD1-OG 3.19Å; P32-S36 PolarHBondContact O-N 3.11Å; P32-S36 PolarHBondContact O-OG 2.91Å; P32-S36 VanDerWaalsContact O-OG 3.09Å; S36-S40 VanDerWaalsContact O-CB 3.26Å; S36-S40 WeakPolarHBondContact O-CB 3.35Å; S36-S40 PolarHBondContact O-N 2.53Å; S36-S40 PolarHBondContact O-OG 3.27Å
37	T	98.7	Very high	98.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-68.1	-44.2	175.6	-57.5	0	0	0	0	112.7	I33 C34 L35 S40 L41 F70 K90 Y112 E115	I33-T37 WeakPolarHBondContact O-CB 3.27Å; I33-T37 PolarHBondContact O-N 3.25Å; I33-T37 PolarHBondContact O-OG1 3.42Å; C34-T37 PolarHBondContact O-N 3.27Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.05Å; T37-S40 WeakPolarHBondContact CA-OG 3.47Å; T37-S40 PolarHBondContact O-N 2.8Å; T37-S40 PolarHBondContact O-OG 2.8Å; T37-L41 PolarHBondContact O-N 3.13Å; T37-L41 VanDerWaalsContact O-N 3.09Å; T37-F70 HydrophobicContact CG2-CB 4.49Å; T37-F70 HydrophobicContact CG2-CD1 4.22Å; T37-F70 HydrophobicContact CG2-CG 4.44Å; T37-F70 WeakPolarHBondContact OG1-CD1 3.21Å; T37-F70 VanDerWaalsContact OG1-CE1 3.26Å; T37-F70 WeakPolarHBondContact OG1-CE1 3.47Å; T37-K90 HydrophobicContact CG2-CD 3.75Å; T37-Y112 HydrophobicContact CG2-CD1 4.02Å; T37-Y112 HydrophobicContact CG2-CE1 4.1Å; T37-E115 VanDerWaalsContact CG2-OE2 3.3Å; T37-E115 WeakPolarHBondContact CG2-OE2 3.24Å
38	S	98.6	Very high	98.5	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-64.2	-42.2	178.3	-61.4	0	0	0	0	112.3	C34 L35 L41 A42 N163	C34-S38 PolarHBondContact O-N 3.07Å; C34-S38 PolarHBondContact O-OG 3.06Å; C34-S38 VanDerWaalsContact O-OG 3.12Å; L35-S38 PolarHBondContact O-N 2.88Å; S38-L41 PolarHBondContact O-N 2.94Å; S38-A42 PolarHBondContact O-N 2.77Å; S38-N163 PolarHBondContact OG-ND2 2.66Å; S38-N163 PolarHBondContact OG-OD1 3.09Å
39	L	98.8	Very high	98.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-74.1	-30.7	-179.4	-66.7	171.7	0	0	0	111.8	F11 L35 A42 Q43 I54 L58 L288 L293 I296 L315	F11-L39 HydrophobicContact CZ-CD1 4.36Å; L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 2.86Å; L39-A42 WeakPolarHBondContact O-CB 3.39Å; L39-A42 PolarHBondContact O-N 3.24Å; L39-Q43 PolarHBondContact O-N 3.44Å; L39-I54 HydrophobicContact CB-CG2 4.47Å; L39-L58 HydrophobicContact CB-CD1 3.65Å; L39-L58 HydrophobicContact CB-CD2 4.38Å; L39-L58 HydrophobicContact CB-CG 4.5Å; L39-L58 HydrophobicContact CD1-CD2 4.05Å; L39-L288 HydrophobicContact CD1-CD1 4.34Å; L39-L288 HydrophobicContact CD1-CD2 4.17Å; L39-L293 HydrophobicContact CD1-CD1 4.22Å; L39-L293 HydrophobicContact CD2-CD1 4.42Å; L39-I296 HydrophobicContact CD2-CD1 4.06Å; L39-L315 HydrophobicContact CD2-CD2 4.23Å
40	S	98.6	Very high	98.5	Very high	1 Å²	1	17 Å²	17	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-67.6	-35.7	171.2	68.2	0	0	0	0	112.4	S36 T37 Q43 V44 F70 Y112	S36-S40 VanDerWaalsContact O-CB 3.26Å; S36-S40 WeakPolarHBondContact O-CB 3.35Å; S36-S40 PolarHBondContact O-N 2.53Å; S36-S40 PolarHBondContact O-OG 3.27Å; T37-S40 WeakPolarHBondContact CA-OG 3.47Å; T37-S40 PolarHBondContact O-N 2.8Å; T37-S40 PolarHBondContact O-OG 2.8Å; S40-Q43 WeakPolarHBondContact O-CB 3.34Å; S40-Q43 PolarHBondContact O-N 3.22Å; S40-V44 WeakPolarHBondContact O-CG2 3.48Å; S40-V44 PolarHBondContact O-N 2.93Å; S40-F70 VanDerWaalsContact CB-CE2 3.42Å; S40-F70 WeakPolarHBondContact OG-CD2 3.44Å; S40-F70 WeakPolarHBondContact OG-CE2 3.36Å; S40-Y112 WeakPolarHBondContact OG-CE1 3.23Å; S40-Y112 PolarHBondContact OG-OH 2.89Å; S40-Y112 VanDerWaalsContact OG-OH 3.11Å
41	L	98.6	Very high	98.5	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-44.3	169.5	172.8	59.6	0	0	0	111.5	T37 S38 Q43 V44 L92 F104 T108 Y112 L116	T37-L41 PolarHBondContact O-N 3.13Å; T37-L41 VanDerWaalsContact O-N 3.09Å; S38-L41 PolarHBondContact O-N 2.94Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 3.32Å; L41-V44 PolarHBondContact O-N 3.04Å; L41-L92 HydrophobicContact CD2-CB 3.78Å; L41-L92 HydrophobicContact CD2-CD1 4.15Å; L41-L92 HydrophobicContact CD2-CG 4.44Å; L41-L92 HydrophobicContact CG-CD1 4.13Å; L41-F104 HydrophobicContact CD1-CE2 4.48Å; L41-F104 HydrophobicContact CD1-CZ 4.15Å; L41-T108 HydrophobicContact CD1-CG2 3.39Å; L41-Y112 HydrophobicContact CB-CD1 3.88Å; L41-Y112 HydrophobicContact CB-CD2 4.26Å; L41-Y112 HydrophobicContact CB-CE1 3.93Å; L41-Y112 HydrophobicContact CB-CE2 4.3Å; L41-Y112 HydrophobicContact CB-CG 4.04Å; L41-Y112 HydrophobicContact CD1-CD2 3.57Å; L41-Y112 HydrophobicContact CD1-CE2 4.07Å; L41-Y112 HydrophobicContact CD1-CG 3.81Å; L41-Y112 HydrophobicContact CD2-CG 4.38Å; L41-Y112 HydrophobicContact CG-CD2 4.42Å; L41-Y112 HydrophobicContact CG-CG 4.28Å; L41-L116 HydrophobicContact CD2-CB 4.27Å
42	A	98.4	Very high	98.5	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-40	175.2	0	0	0	0	0	111.8	S38 L39 V44 G45 A46 L92	S38-A42 PolarHBondContact O-N 2.77Å; L39-A42 WeakPolarHBondContact O-CB 3.39Å; L39-A42 PolarHBondContact O-N 3.24Å; A42-V44 VanDerWaalsContact C-N 3.3Å; A42-V44 PolarHBondContact O-N 3.28Å; A42-G45 PolarHBondContact O-N 2.89Å; A42-G45 VanDerWaalsContact O-N 3.11Å; A42-A46 PolarHBondContact O-N 3.31Å; A42-A46 VanDerWaalsContact O-N 3.12Å; A42-L92 HydrophobicContact CB-CD1 4.08Å
43	Q	98.6	Very high	98.5	Very high	43 Å²	43	23.3 Å²	23.3	20%	0.201	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-36.2	177.7	-163.2	-175.8	27.5	0	0	113.1	L39 S40 L41 G45 A46 A51 I54 G55	L39-Q43 PolarHBondContact O-N 3.44Å; S40-Q43 WeakPolarHBondContact O-CB 3.34Å; S40-Q43 PolarHBondContact O-N 3.22Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 3.32Å; Q43-G45 PolarHBondContact O-N 3.07Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.1Å; Q43-A51 HydrophobicContact CG-CB 4.42Å; Q43-A51 PolarHBondContact NE2-O 3.28Å; Q43-I54 HydrophobicContact CB-CB 4.24Å; Q43-I54 HydrophobicContact CB-CD1 4.23Å; Q43-I54 HydrophobicContact CB-CG2 3.72Å; Q43-I54 HydrophobicContact CG-CB 4.03Å; Q43-I54 HydrophobicContact CG-CD1 4.5Å; Q43-I54 HydrophobicContact CG-CG2 3.93Å; Q43-G55 VanDerWaalsContact NE2-N 3.16Å
44	V	98.3	Very high	98.5	Very high	43 Å²	43	23 Å²	23	26%	0.261	13%	0.13	S	C	.	.	H	α-helix	trans	-60.1	-34.7	178	176.2	0	0	0	0	111.4	S40 L41 A42 P67 F104 T108 Y112	S40-V44 WeakPolarHBondContact O-CG2 3.48Å; S40-V44 PolarHBondContact O-N 2.93Å; L41-V44 PolarHBondContact O-N 3.04Å; A42-V44 VanDerWaalsContact C-N 3.3Å; A42-V44 PolarHBondContact O-N 3.28Å; V44-P67 HydrophobicContact CG2-CG 4.23Å; V44-F104 HydrophobicContact CB-CE2 4.16Å; V44-F104 HydrophobicContact CG1-CD2 4.02Å; V44-F104 HydrophobicContact CG1-CE2 4.09Å; V44-T108 HydrophobicContact CB-CG2 4.3Å; V44-T108 HydrophobicContact CG1-CG2 3.84Å; V44-Y112 HydrophobicContact CG2-CE2 4.12Å
45	G	97.6	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-86.8	-14.6	177.3	0	0	0	0	0	114.4	A42 Q43 F304 G306 M307	A42-G45 PolarHBondContact O-N 2.89Å; A42-G45 VanDerWaalsContact O-N 3.11Å; Q43-G45 PolarHBondContact O-N 3.07Å; G45-F304 CarbonylContact O-C 3.52Å; G45-F304 VanDerWaalsContact O-C 3.24Å; G45-F304 WeakPolarHBondContact O-CA 3.32Å; G45-G306 CarbonylContact O-C 3.24Å; G45-G306 WeakPolarHBondContact O-CA 3.25Å; G45-G306 PolarHBondContact O-N 2.81Å; G45-M307 PolarHBondContact O-N 3.39Å
46	A	98.3	Very high	98.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	16%	0.159	C	C	.	.			trans	-84.6	157	178.4	0	0	0	0	0	112.1	A42 Q43 T50 A51 I54 D303 F304	A42-A46 PolarHBondContact O-N 3.31Å; A42-A46 VanDerWaalsContact O-N 3.12Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.1Å; A46-T50 HydrophobicContact CB-CG2 3.84Å; A46-A51 HydrophobicContact CB-CB 4.02Å; A46-I54 HydrophobicContact CB-CD1 4.22Å; A46-D303 CarbonylContact C-O 3.52Å; A46-D303 VanDerWaalsContact CA-O 3.24Å; A46-D303 WeakPolarHBondContact CA-O 3.37Å; A46-F304 HydrophobicContact CB-CD1 4.07Å; A46-F304 HydrophobicContact CB-CE1 4.07Å
47	K	98.3	Very high	98.5	Very high	105 Å²	105	29.3 Å²	29.3	46%	0.457	16%	0.162	S	C	.	.			trans	-134.4	177	170.6	-64.7	-63.9	177	-167.8	0	110.3	T50 A51 D303 S305	K47-T50 PolarHBondContact O-N 3.03Å; K47-A51 PolarHBondContact O-N 3.17Å; K47-A51 VanDerWaalsContact O-N 3.12Å; K47-D303 WeakPolarHBondContact CB-OD2 3.3Å; K47-D303 PolarHBondContact N-O 2.86Å; K47-S305 WeakPolarHBondContact CB-OG 3.23Å; K47-S305 WeakPolarHBondContact CG-OG 3.11Å
48	G	97.9	Very high	98.5	Very high	41 Å²	41	29.3 Å²	29.3	42%	0.423	16%	0.162	S	C	.	.	H	α-helix	trans	51.9	-139	176.3	0	0	0	0	0	113.8	T50 A51 N52	G48-T50 VanDerWaalsContact C-N 3.28Å; G48-T50 PolarHBondContact O-N 2.93Å; G48-A51 PolarHBondContact O-N 2.97Å; G48-N52 PolarHBondContact O-N 3.24Å; G48-N52 VanDerWaalsContact O-N 3.11Å; G48-N52 PolarHBondContact O-ND2 3.25Å
49	D	98.4	Very high	98.5	Very high	102 Å²	102	32.1 Å²	32.1	55%	0.545	18%	0.175	S	C	.	.	H	α-helix	trans	-66.5	-29.2	-176.9	-65.6	-28.6	0	0	0	112.9	A51 N52 E53	D49-A51 PolarHBondContact O-N 3.13Å; D49-N52 PolarHBondContact O-N 3.18Å; D49-E53 WeakPolarHBondContact O-CB 3.25Å; D49-E53 WeakPolarHBondContact O-CG 3.1Å; D49-E53 PolarHBondContact O-N 3.27Å
50	T	98.7	Very high	98.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-44.7	174.6	-57.3	0	0	0	0	111	A46 K47 G48 I54 H295 I296 D303 F304	A46-T50 HydrophobicContact CB-CG2 3.84Å; K47-T50 PolarHBondContact O-N 3.03Å; G48-T50 VanDerWaalsContact C-N 3.28Å; G48-T50 PolarHBondContact O-N 2.93Å; T50-I54 HydrophobicContact CG2-CD1 4.33Å; T50-I54 WeakPolarHBondContact O-CD1 3.42Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 2.66Å; T50-H295 WeakPolarHBondContact OG1-CB 3.37Å; T50-I296 HydrophobicContact CG2-CB 4.2Å; T50-I296 HydrophobicContact CG2-CG1 4.39Å; T50-D303 PolarHBondContact OG1-N 3.42Å; T50-F304 HydrophobicContact CG2-CE2 4.47Å; T50-F304 HydrophobicContact CG2-CZ 4.42Å
51	A	98.6	Very high	98.1	Very high	16 Å²	16	38 Å²	38	13%	0.132	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-36.4	176.1	0	0	0	0	0	112.5	Q43 A46 K47 G48 D49 G55	Q43-A51 HydrophobicContact CG-CB 4.42Å; Q43-A51 PolarHBondContact NE2-O 3.28Å; A46-A51 HydrophobicContact CB-CB 4.02Å; K47-A51 PolarHBondContact O-N 3.17Å; K47-A51 VanDerWaalsContact O-N 3.12Å; G48-A51 PolarHBondContact O-N 2.97Å; D49-A51 PolarHBondContact O-N 3.13Å; A51-G55 PolarHBondContact O-N 2.88Å
52	N	98.6	Very high	97.8	Very high	92 Å²	92	45 Å²	45	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-45	178.5	-68.4	-27.6	0	0	0	112	G48 D49 I54 G55 Q56	G48-N52 PolarHBondContact O-N 3.24Å; G48-N52 VanDerWaalsContact O-N 3.11Å; G48-N52 PolarHBondContact O-ND2 3.25Å; D49-N52 PolarHBondContact O-N 3.18Å; N52-I54 VanDerWaalsContact C-N 3.34Å; N52-I54 PolarHBondContact O-N 3.5Å; N52-G55 WeakPolarHBondContact O-CA 3.41Å; N52-G55 PolarHBondContact O-N 3.39Å; N52-G55 VanDerWaalsContact O-N 3.11Å; N52-Q56 WeakPolarHBondContact O-CG 3.48Å; N52-Q56 PolarHBondContact O-N 3.33Å
53	E	98.7	Very high	97.7	Very high	26 Å²	26	46 Å²	46	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-46.1	175.7	-79.4	-170.7	166.5	0	0	111.3	D49 G55 Q56 V57 L293 K294 H295	D49-E53 WeakPolarHBondContact O-CB 3.25Å; D49-E53 WeakPolarHBondContact O-CG 3.1Å; D49-E53 PolarHBondContact O-N 3.27Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 3.1Å; E53-Q56 PolarHBondContact O-N 3.29Å; E53-V57 WeakPolarHBondContact O-CG2 3.4Å; E53-V57 PolarHBondContact O-N 2.94Å; E53-L293 HydrophobicContact CB-CD2 4.09Å; E53-L293 WeakPolarHBondContact O-CD2 3.48Å; E53-K294 PolarHBondContact OE2-N 2.96Å; E53-H295 IonicContact OE1-CE1 3.95Å; E53-H295 PolarHBondContact OE1-CE1 3.33Å; E53-H295 VanDerWaalsContact OE1-CE1 3.23Å; E53-H295 IonicContact OE1-CG 3.21Å; E53-H295 IonicContact OE1-ND1 2.78Å; E53-H295 PolarHBondContact OE1-ND1 3.41Å; E53-H295 IonicContact OE2-CG 3.23Å; E53-H295 PolarHBondContact OE2-N 2.89Å; E53-H295 IonicContact OE2-ND1 3.9Å; E53-H295 PolarHBondContact OE2-ND1 3.05Å; E53-H295 VanDerWaalsContact OE2-ND1 3.11Å
54	I	98.8	Very high	97.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-42.1	175.8	-61.5	164.8	0	0	0	110.7	L39 Q43 A46 T50 N52 L58 L293 I296	L39-I54 HydrophobicContact CB-CG2 4.47Å; Q43-I54 HydrophobicContact CB-CB 4.24Å; Q43-I54 HydrophobicContact CB-CD1 4.23Å; Q43-I54 HydrophobicContact CB-CG2 3.72Å; Q43-I54 HydrophobicContact CG-CB 4.03Å; Q43-I54 HydrophobicContact CG-CD1 4.5Å; Q43-I54 HydrophobicContact CG-CG2 3.93Å; A46-I54 HydrophobicContact CB-CD1 4.22Å; T50-I54 HydrophobicContact CG2-CD1 4.33Å; T50-I54 WeakPolarHBondContact O-CD1 3.42Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 2.66Å; N52-I54 VanDerWaalsContact C-N 3.34Å; N52-I54 PolarHBondContact O-N 3.5Å; I54-L58 HydrophobicContact CG2-CD1 3.52Å; I54-L58 HydrophobicContact CG2-CG 4.22Å; I54-L58 VanDerWaalsContact O-CB 3.26Å; I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 VanDerWaalsContact O-CG 3.28Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 3.3Å; I54-L293 HydrophobicContact CB-CD2 4.48Å; I54-L293 HydrophobicContact CG1-CD2 4.08Å; I54-I296 HydrophobicContact CD1-CD1 3.71Å; I54-I296 HydrophobicContact CD1-CG1 4.24Å; I54-I296 HydrophobicContact CG1-CD1 4Å
55	G	98.5	Very high	97.3	Very high	7 Å²	7	56.3 Å²	56.3	7%	0.072	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-42.7	178.2	0	0	0	0	0	113.1	Q43 A51 N52 E53 H59 F60	Q43-G55 VanDerWaalsContact NE2-N 3.16Å; A51-G55 PolarHBondContact O-N 2.88Å; N52-G55 WeakPolarHBondContact O-CA 3.41Å; N52-G55 PolarHBondContact O-N 3.39Å; N52-G55 VanDerWaalsContact O-N 3.11Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 3.1Å; G55-H59 PolarHBondContact O-N 3.12Å; G55-H59 VanDerWaalsContact O-N 3.13Å; G55-F60 PolarHBondContact O-N 2.99Å
56	Q	98.6	Very high	97.3	Very high	117 Å²	117	57 Å²	57	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-71	-49.6	-179.8	-71.9	172	-9.5	0	0	112	N52 E53 L58 H59 E61	N52-Q56 WeakPolarHBondContact O-CG 3.48Å; N52-Q56 PolarHBondContact O-N 3.33Å; E53-Q56 PolarHBondContact O-N 3.29Å; Q56-L58 VanDerWaalsContact C-N 3.27Å; Q56-L58 PolarHBondContact O-N 3.4Å; Q56-H59 PolarHBondContact O-N 3.11Å; Q56-E61 WeakPolarHBondContact CA-OE1 3.48Å
57	V	98.7	Very high	97.2	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-34.1	-178.9	173.8	0	0	0	0	111.8	F11 E53 H59 L291 L293	F11-V57 HydrophobicContact CD2-CG1 4.14Å; F11-V57 WeakPolarHBondContact CD2-O 3.4Å; F11-V57 HydrophobicContact CE2-CG1 4.11Å; E53-V57 WeakPolarHBondContact O-CG2 3.4Å; E53-V57 PolarHBondContact O-N 2.94Å; V57-H59 VanDerWaalsContact C-N 3.33Å; V57-H59 PolarHBondContact O-CD2 3.3Å; V57-H59 VanDerWaalsContact O-CD2 3.32Å; V57-L291 HydrophobicContact CG1-CB 3.87Å; V57-L291 HydrophobicContact CG1-CD1 4.38Å; V57-L291 HydrophobicContact CG2-CB 4.43Å; V57-L291 WeakPolarHBondContact CG2-O 3.46Å; V57-L293 HydrophobicContact CB-CD2 3.78Å; V57-L293 HydrophobicContact CB-CG 4.05Å; V57-L293 HydrophobicContact CG1-CD1 4.47Å; V57-L293 HydrophobicContact CG1-CD2 4.3Å; V57-L293 HydrophobicContact CG1-CG 4.03Å; V57-L293 HydrophobicContact CG2-CD2 3.63Å; V57-L293 HydrophobicContact CG2-CG 3.91Å
58	L	98.6	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.6	176.3	-61	178.3	0	0	0	113.9	F11 L39 I54 Q56 F60	F11-L58 HydrophobicContact CB-CD2 4.5Å; F11-L58 HydrophobicContact CD1-CD2 3.94Å; F11-L58 HydrophobicContact CD2-CD2 3.71Å; F11-L58 HydrophobicContact CE1-CD2 4.02Å; F11-L58 HydrophobicContact CE2-CD2 3.79Å; F11-L58 HydrophobicContact CG-CD2 3.76Å; F11-L58 HydrophobicContact CZ-CD2 3.94Å; L39-L58 HydrophobicContact CB-CD1 3.65Å; L39-L58 HydrophobicContact CB-CD2 4.38Å; L39-L58 HydrophobicContact CB-CG 4.5Å; L39-L58 HydrophobicContact CD1-CD2 4.05Å; I54-L58 HydrophobicContact CG2-CD1 3.52Å; I54-L58 HydrophobicContact CG2-CG 4.22Å; I54-L58 VanDerWaalsContact O-CB 3.26Å; I54-L58 WeakPolarHBondContact O-CB 3.33Å; I54-L58 VanDerWaalsContact O-CG 3.28Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 3.3Å; Q56-L58 VanDerWaalsContact C-N 3.27Å; Q56-L58 PolarHBondContact O-N 3.4Å; L58-F60 VanDerWaalsContact C-N 3.34Å; L58-F60 HydrophobicContact CB-CD1 4.03Å; L58-F60 HydrophobicContact CB-CD2 3.81Å; L58-F60 HydrophobicContact CB-CE1 3.8Å; L58-F60 HydrophobicContact CB-CE2 3.58Å; L58-F60 HydrophobicContact CB-CG 4.03Å; L58-F60 HydrophobicContact CB-CZ 3.57Å; L58-F60 HydrophobicContact CD1-CD2 4.07Å; L58-F60 HydrophobicContact CD1-CE2 3.29Å; L58-F60 HydrophobicContact CD1-CZ 3.65Å; L58-F60 HydrophobicContact CG-CE2 4.09Å; L58-F60 HydrophobicContact CG-CZ 4.2Å; L58-F60 VanDerWaalsContact O-CD1 3.26Å; L58-F60 WeakPolarHBondContact O-CD1 3.5Å; L58-F60 WeakPolarHBondContact O-CE1 3.26Å; L58-F60 PolarHBondContact O-N 2.87Å
59	H	98.4	Very high	97.1	Very high	63 Å²	63	56.9 Å²	56.9	29%	0.292	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	34.9	179.7	-59.7	-98.3	0	0	0	114.3	A7 A10 D14 G55 Q56 V57 E61	A7-H59 HydrophobicContact CB-CB 3.9Å; A7-H59 WeakPolarHBondContact CB-O 3.28Å; A10-H59 HydrophobicContact CB-CB 4.35Å; D14-H59 IonicContact OD2-CD2 2.78Å; D14-H59 IonicContact OD2-CE1 3.97Å; D14-H59 PolarHBondContact OD2-CE1 3.22Å; D14-H59 IonicContact OD2-NE2 3.69Å; D14-H59 PolarHBondContact OD2-NE2 3.47Å; G55-H59 PolarHBondContact O-N 3.12Å; G55-H59 VanDerWaalsContact O-N 3.13Å; Q56-H59 PolarHBondContact O-N 3.11Å; V57-H59 VanDerWaalsContact C-N 3.33Å; V57-H59 PolarHBondContact O-CD2 3.3Å; V57-H59 VanDerWaalsContact O-CD2 3.32Å; H59-E61 WeakPolarHBondContact CA-OE2 3.42Å
60	F	98	Very high	97.1	Very high	11 Å²	11	52 Å²	52	5%	0.048	26%	0.261	C	S	.	.			trans	-87.4	1.9	-176.9	-65.5	-18.6	0	0	0	115	L4 A7 G55 L58 N62 V63 V66 F70	L4-F60 HydrophobicContact CD1-CD1 3.99Å; L4-F60 HydrophobicContact CD1-CE1 3.5Å; L4-F60 VanDerWaalsContact CD1-CE1 3.5Å; L4-F60 HydrophobicContact CD1-CZ 4.22Å; A7-F60 HydrophobicContact CB-CD1 3.99Å; A7-F60 HydrophobicContact CB-CE1 4.31Å; G55-F60 PolarHBondContact O-N 2.99Å; L58-F60 VanDerWaalsContact C-N 3.34Å; L58-F60 HydrophobicContact CB-CD1 4.03Å; L58-F60 HydrophobicContact CB-CD2 3.81Å; L58-F60 HydrophobicContact CB-CE1 3.8Å; L58-F60 HydrophobicContact CB-CE2 3.58Å; L58-F60 HydrophobicContact CB-CG 4.03Å; L58-F60 HydrophobicContact CB-CZ 3.57Å; L58-F60 HydrophobicContact CD1-CD2 4.07Å; L58-F60 HydrophobicContact CD1-CE2 3.29Å; L58-F60 HydrophobicContact CD1-CZ 3.65Å; L58-F60 HydrophobicContact CG-CE2 4.09Å; L58-F60 HydrophobicContact CG-CZ 4.2Å; L58-F60 VanDerWaalsContact O-CD1 3.26Å; L58-F60 WeakPolarHBondContact O-CD1 3.5Å; L58-F60 WeakPolarHBondContact O-CE1 3.26Å; L58-F60 PolarHBondContact O-N 2.87Å; F60-N62 PolarHBondContact O-N 3.1Å; F60-V63 HydrophobicContact CB-CB 4.5Å; F60-V63 HydrophobicContact CD1-CG2 4.37Å; F60-V63 PolarHBondContact O-N 3.49Å; F60-V66 HydrophobicContact CB-CG2 4.08Å; F60-V66 HydrophobicContact CD1-CG2 4.38Å; F60-V66 HydrophobicContact CD2-CG1 3.93Å; F60-V66 HydrophobicContact CD2-CG2 4.11Å; F60-V66 HydrophobicContact CE1-CG1 4.46Å; F60-V66 HydrophobicContact CE2-CG1 3.73Å; F60-V66 HydrophobicContact CG-CG1 4.39Å; F60-V66 HydrophobicContact CG-CG2 3.95Å; F60-V66 HydrophobicContact CZ-CG1 4.03Å; F60-F70 HydrophobicContact CE1-CE2 4.21Å; F60-F70 HydrophobicContact CE1-CZ 4.31Å; F60-F70 HydrophobicContact CE2-CE2 4.21Å; F60-F70 AromaticContact CZ-CE2 3.55Å; F60-F70 HydrophobicContact CZ-CE2 3.55Å; F60-F70 AromaticContact CZ-CZ 3.78Å; F60-F70 HydrophobicContact CZ-CZ 3.78Å
61	E	92.6	Very high	97	Very high	113 Å²	113	55 Å²	55	53%	0.528	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.4	-170.8	-56.2	95	143.9	0	0	113.1	Q56 H59	Q56-E61 WeakPolarHBondContact CA-OE1 3.48Å; H59-E61 WeakPolarHBondContact CA-OE2 3.42Å
62	N	92.2	Very high	96.9	Very high	150 Å²	150	56.1 Å²	56.1	80%	0.802	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	10.2	-180	-64.4	-53.5	0	0	0	113.5	F60	F60-N62 PolarHBondContact O-N 3.1Å
63	V	96.2	Very high	96.7	Very high	23 Å²	23	51.9 Å²	51.9	14%	0.139	26%	0.258	C	S	.	.			trans	-95	112.2	-177.7	-174.7	0	0	0	0	109.8	A3 L4 A7 F60 V66	A3-V63 HydrophobicContact CB-CG2 4.28Å; L4-V63 HydrophobicContact CB-CG1 3.72Å; L4-V63 HydrophobicContact CD1-CG1 4.05Å; L4-V63 HydrophobicContact CG-CG1 4.42Å; A7-V63 HydrophobicContact CB-CG2 3.91Å; F60-V63 HydrophobicContact CB-CB 4.5Å; F60-V63 HydrophobicContact CD1-CG2 4.37Å; F60-V63 PolarHBondContact O-N 3.49Å; V63-V66 HydrophobicContact CB-CG2 3.88Å; V63-V66 HydrophobicContact CG1-CG2 3.67Å
64	K	93.8	Very high	96.6	Very high	197 Å²	197	51.2 Å²	51.2	86%	0.857	26%	0.256	S	S	*	.	S	Bend	trans	-78.7	138.3	172.5	-62.4	-176.2	-178.8	-178.8	0	110.6
65	D	93.9	Very high	96.4	Very high	105 Å²	105	53.6 Å²	53.6	56%	0.561	27%	0.272	S	S	*	.			trans	51.4	57.6	174.6	-161.6	-2.4	0	0	0	113.3	P67 F68 G69	D65-P67 VanDerWaalsContact C-CD 3.46Å; D65-P67 VanDerWaalsContact C-N 3.34Å; D65-F68 HydrophobicContact CB-CB 4.31Å; D65-F68 PolarHBondContact O-N 2.93Å; D65-F68 WeakPolarHBondContact OD1-CB 3.45Å; D65-F68 PolarHBondContact OD1-N 2.89Å; D65-F68 VanDerWaalsContact OD2-CB 3.25Å; D65-F68 WeakPolarHBondContact OD2-CB 3.2Å; D65-G69 PolarHBondContact O-N 3.22Å; D65-G69 VanDerWaalsContact O-N 3.1Å
66	V	97.4	Very high	96.2	Very high	16 Å²	16	54 Å²	54	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-50.2	-46.6	177.1	174.1	0	0	0	0	112.2	L4 F60 V63 F68 G69 F70	L4-V66 HydrophobicContact CD1-CG1 4.42Å; F60-V66 HydrophobicContact CB-CG2 4.08Å; F60-V66 HydrophobicContact CD1-CG2 4.38Å; F60-V66 HydrophobicContact CD2-CG1 3.93Å; F60-V66 HydrophobicContact CD2-CG2 4.11Å; F60-V66 HydrophobicContact CE1-CG1 4.46Å; F60-V66 HydrophobicContact CE2-CG1 3.73Å; F60-V66 HydrophobicContact CG-CG1 4.39Å; F60-V66 HydrophobicContact CG-CG2 3.95Å; F60-V66 HydrophobicContact CZ-CG1 4.03Å; V63-V66 HydrophobicContact CB-CG2 3.88Å; V63-V66 HydrophobicContact CG1-CG2 3.67Å; V66-F68 PolarHBondContact O-N 2.66Å; V66-G69 PolarHBondContact O-N 2.8Å; V66-G69 VanDerWaalsContact O-N 3.15Å; V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.55Å; V66-F70 WeakPolarHBondContact O-CD2 3.44Å; V66-F70 PolarHBondContact O-N 3.07Å
67	P	97.1	Very high	95.9	Very high	34 Å²	34	48.7 Å²	48.7	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-46.4	179.4	-24.9	36.1	0	0	0	113	V44 D65 G69 F70 Q71 P111 Y112	V44-P67 HydrophobicContact CG2-CG 4.23Å; D65-P67 VanDerWaalsContact C-CD 3.46Å; D65-P67 VanDerWaalsContact C-N 3.34Å; P67-G69 VanDerWaalsContact C-N 3.27Å; P67-G69 PolarHBondContact O-N 3.2Å; P67-F70 PolarHBondContact O-N 2.82Å; P67-Q71 PolarHBondContact O-N 2.86Å; P67-P111 HydrophobicContact CB-CB 3.71Å; P67-P111 HydrophobicContact CB-CG 3.82Å; P67-P111 WeakPolarHBondContact O-CB 3.33Å; P67-Y112 HydrophobicContact CB-CE2 4.08Å
68	F	96.4	Very high	95.6	Very high	106 Å²	106	52.2 Å²	52.2	47%	0.465	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-35.9	177.3	179.8	-100.9	0	0	0	112.6	D65 V66 Q71 T72	D65-F68 HydrophobicContact CB-CB 4.31Å; D65-F68 PolarHBondContact O-N 2.93Å; D65-F68 WeakPolarHBondContact OD1-CB 3.45Å; D65-F68 PolarHBondContact OD1-N 2.89Å; D65-F68 VanDerWaalsContact OD2-CB 3.25Å; D65-F68 WeakPolarHBondContact OD2-CB 3.2Å; V66-F68 PolarHBondContact O-N 2.66Å; F68-Q71 WeakPolarHBondContact O-CB 3.49Å; F68-Q71 PolarHBondContact O-N 3.07Å; F68-T72 PolarHBondContact O-N 3.11Å; F68-T72 PolarHBondContact O-OG1 2.74Å; F68-T72 VanDerWaalsContact O-OG1 3.09Å
69	G	97.1	Very high	95.4	Very high	4 Å²	4	57.8 Å²	57.8	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-47.5	173.8	0	0	0	0	0	112.4	L4 D65 V66 P67 T72 V73	L4-G69 VanDerWaalsContact CD2-C 3.5Å; D65-G69 PolarHBondContact O-N 3.22Å; D65-G69 VanDerWaalsContact O-N 3.1Å; V66-G69 PolarHBondContact O-N 2.8Å; V66-G69 VanDerWaalsContact O-N 3.15Å; P67-G69 VanDerWaalsContact C-N 3.27Å; P67-G69 PolarHBondContact O-N 3.2Å; G69-T72 PolarHBondContact O-N 3.44Å; G69-V73 WeakPolarHBondContact O-CG2 3.37Å; G69-V73 PolarHBondContact O-N 2.83Å; G69-V73 VanDerWaalsContact O-N 3.13Å
70	F	97.6	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-36	174.7	-78.8	-65.3	0	0	0	113.2	L4 N8 I33 T37 S40 F60 V66 P67 T72 V73 T74 Y112	L4-F70 HydrophobicContact CD1-CE2 3.85Å; L4-F70 HydrophobicContact CD1-CZ 3.99Å; L4-F70 HydrophobicContact CD2-CD2 4.25Å; L4-F70 HydrophobicContact CD2-CE2 4.31Å; L4-F70 HydrophobicContact CD2-CG 4.41Å; N8-F70 WeakPolarHBondContact OD1-CZ 3.25Å; I33-F70 HydrophobicContact CD1-CE1 3.94Å; T37-F70 HydrophobicContact CG2-CB 4.49Å; T37-F70 HydrophobicContact CG2-CD1 4.22Å; T37-F70 HydrophobicContact CG2-CG 4.44Å; T37-F70 WeakPolarHBondContact OG1-CD1 3.21Å; T37-F70 VanDerWaalsContact OG1-CE1 3.26Å; T37-F70 WeakPolarHBondContact OG1-CE1 3.47Å; S40-F70 VanDerWaalsContact CB-CE2 3.42Å; S40-F70 WeakPolarHBondContact OG-CD2 3.44Å; S40-F70 WeakPolarHBondContact OG-CE2 3.36Å; F60-F70 HydrophobicContact CE1-CE2 4.21Å; F60-F70 HydrophobicContact CE1-CZ 4.31Å; F60-F70 HydrophobicContact CE2-CE2 4.21Å; F60-F70 AromaticContact CZ-CE2 3.55Å; F60-F70 HydrophobicContact CZ-CE2 3.55Å; F60-F70 AromaticContact CZ-CZ 3.78Å; F60-F70 HydrophobicContact CZ-CZ 3.78Å; V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.55Å; V66-F70 WeakPolarHBondContact O-CD2 3.44Å; V66-F70 PolarHBondContact O-N 3.07Å; P67-F70 PolarHBondContact O-N 2.82Å; F70-T72 PolarHBondContact O-N 3.17Å; F70-V73 PolarHBondContact O-N 2.78Å; F70-T74 VanDerWaalsContact O-CB 3.29Å; F70-T74 WeakPolarHBondContact O-CB 3.36Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 3.28Å; F70-Y112 HydrophobicContact CB-CE1 4.2Å
71	Q	97.1	Very high	94.8	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-53.7	-44.1	172.9	-168.4	-178.1	-8.5	0	0	111.2	P67 F68 S75 P111	P67-Q71 PolarHBondContact O-N 2.86Å; F68-Q71 WeakPolarHBondContact O-CB 3.49Å; F68-Q71 PolarHBondContact O-N 3.07Å; Q71-S75 VanDerWaalsContact O-CB 3.23Å; Q71-S75 WeakPolarHBondContact O-CB 3.5Å; Q71-S75 PolarHBondContact O-N 2.88Å; Q71-P111 HydrophobicContact CB-CB 4.28Å
72	T	96	Very high	94.7	Very high	39 Å²	39	54.8 Å²	54.8	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-48.1	-180	-58	0	0	0	0	111.3	M1 F68 G69 F70 S75 D76	M1-T72 HydrophobicContact CE-CG2 3.53Å; M1-T72 HydrophobicContact SD-CG2 4.26Å; F68-T72 PolarHBondContact O-N 3.11Å; F68-T72 PolarHBondContact O-OG1 2.74Å; F68-T72 VanDerWaalsContact O-OG1 3.09Å; G69-T72 PolarHBondContact O-N 3.44Å; F70-T72 PolarHBondContact O-N 3.17Å; T72-S75 PolarHBondContact O-N 3.09Å; T72-D76 PolarHBondContact O-N 2.86Å
73	V	95.4	Very high	94.5	Very high	2 Å²	2	54 Å²	54	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-46.7	179	177.3	0	0	0	0	111.1	M1 I33 G69 F70 S75 D76 V77 T363	M1-V73 HydrophobicContact CE-CG2 4.06Å; I33-V73 HydrophobicContact CD1-CG1 3.99Å; I33-V73 HydrophobicContact CG1-CG1 3.98Å; G69-V73 WeakPolarHBondContact O-CG2 3.37Å; G69-V73 PolarHBondContact O-N 2.83Å; G69-V73 VanDerWaalsContact O-N 3.13Å; F70-V73 PolarHBondContact O-N 2.78Å; V73-S75 PolarHBondContact O-N 3.07Å; V73-D76 PolarHBondContact O-N 2.88Å; V73-V77 HydrophobicContact CG1-CG2 4.36Å; V73-V77 WeakPolarHBondContact O-CG2 3.4Å; V73-V77 PolarHBondContact O-N 3.09Å; V73-T363 HydrophobicContact CG2-CG2 4.32Å
74	T	95.6	Very high	94.4	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-42.2	177.5	-68.8	0	0	0	0	111.3	F70 V77 N78 E115	F70-T74 VanDerWaalsContact O-CB 3.29Å; F70-T74 WeakPolarHBondContact O-CB 3.36Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 3.28Å; T74-V77 PolarHBondContact O-N 2.94Å; T74-N78 WeakPolarHBondContact CG2-ND2 3.49Å; T74-N78 VanDerWaalsContact O-CB 3.25Å; T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 2.97Å; T74-N78 PolarHBondContact O-ND2 3.18Å; T74-E115 WeakPolarHBondContact CG2-OE1 3.48Å
75	S	95.5	Very high	94.6	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-44	176.5	-172.7	0	0	0	0	112.2	Q71 T72 V73 K79	Q71-S75 VanDerWaalsContact O-CB 3.23Å; Q71-S75 WeakPolarHBondContact O-CB 3.5Å; Q71-S75 PolarHBondContact O-N 2.88Å; T72-S75 PolarHBondContact O-N 3.09Å; V73-S75 PolarHBondContact O-N 3.07Å; S75-K79 VanDerWaalsContact O-CG 3.31Å; S75-K79 WeakPolarHBondContact O-CG 3.31Å; S75-K79 PolarHBondContact O-N 3.32Å; S75-K79 VanDerWaalsContact O-N 3.15Å
76	D	94.5	Very high	94.8	Very high	16 Å²	16	41.9 Å²	41.9	9%	0.086	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-47.4	178.2	-81.1	-14.5	0	0	0	111.2	T72 V73 N78 K79 L80 H360 K362	T72-D76 PolarHBondContact O-N 2.86Å; V73-D76 PolarHBondContact O-N 2.88Å; D76-N78 PolarHBondContact O-N 3.46Å; D76-K79 WeakPolarHBondContact O-CB 3.27Å; D76-K79 PolarHBondContact O-N 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.34Å; D76-L80 PolarHBondContact O-N 2.91Å; D76-L80 VanDerWaalsContact O-N 3.11Å; D76-H360 IonicContact OD2-CE1 2.79Å; D76-K362 IonicContact OD1-NZ 2.95Å; D76-K362 PolarHBondContact OD1-NZ 2.87Å; D76-K362 WeakPolarHBondContact OD2-CD 3.28Å; D76-K362 WeakPolarHBondContact OD2-CE 3.31Å; D76-K362 IonicContact OD2-NZ 2.72Å; D76-K362 PolarHBondContact OD2-NZ 3.49Å
77	V	92.5	Very high	94.8	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-41.8	178.7	173.3	0	0	0	0	112	V73 T74 K79 L80 S81 L86 L88 I367	V73-V77 HydrophobicContact CG1-CG2 4.36Å; V73-V77 WeakPolarHBondContact O-CG2 3.4Å; V73-V77 PolarHBondContact O-N 3.09Å; T74-V77 PolarHBondContact O-N 2.94Å; V77-K79 PolarHBondContact O-N 2.8Å; V77-L80 WeakPolarHBondContact O-CA 3.38Å; V77-L80 VanDerWaalsContact O-CB 3.32Å; V77-L80 WeakPolarHBondContact O-CB 3.24Å; V77-L80 PolarHBondContact O-N 3.45Å; V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.5Å; V77-L86 HydrophobicContact CG1-CD2 4.44Å; V77-L88 HydrophobicContact CG1-CB 4.3Å; V77-L88 HydrophobicContact CG1-CD1 3.56Å; V77-L88 HydrophobicContact CG1-CG 3.87Å; V77-L88 HydrophobicContact CG2-CD1 4.47Å; V77-I367 HydrophobicContact CG2-CD1 4.04Å
78	N	92.3	Very high	94.8	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-31.9	178.2	-73.2	-13.3	0	0	0	112	T74 D76 S81	T74-N78 WeakPolarHBondContact CG2-ND2 3.49Å; T74-N78 VanDerWaalsContact O-CB 3.25Å; T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 2.97Å; T74-N78 PolarHBondContact O-ND2 3.18Å; D76-N78 PolarHBondContact O-N 3.46Å; N78-S81 WeakPolarHBondContact O-CB 3.42Å; N78-S81 PolarHBondContact O-N 2.74Å
79	K	94.5	Very high	94.9	Very high	118 Å²	118	38.2 Å²	38.2	51%	0.513	21%	0.207	S	C	.	.	H	α-helix	trans	-68.7	-34.9	170.4	-69.8	168	-172.8	168.7	0	111.5	S75 D76 V77 S81 S82 F83	S75-K79 VanDerWaalsContact O-CG 3.31Å; S75-K79 WeakPolarHBondContact O-CG 3.31Å; S75-K79 PolarHBondContact O-N 3.32Å; S75-K79 VanDerWaalsContact O-N 3.15Å; D76-K79 WeakPolarHBondContact O-CB 3.27Å; D76-K79 PolarHBondContact O-N 3.23Å; V77-K79 PolarHBondContact O-N 2.8Å; K79-S81 VanDerWaalsContact C-N 3.27Å; K79-S81 PolarHBondContact O-N 3.32Å; K79-S82 PolarHBondContact O-N 3Å; K79-S82 PolarHBondContact O-OG 3.12Å; K79-F83 WeakPolarHBondContact O-CD2 3.44Å; K79-F83 WeakPolarHBondContact O-CE2 3.4Å
80	L	92.4	Very high	95	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-30.4	174.8	-63.9	-176.9	0	0	0	112.8	D76 V77 S82 F83 Y84 L86 H225 L226 H360	D76-L80 WeakPolarHBondContact O-CG 3.34Å; D76-L80 PolarHBondContact O-N 2.91Å; D76-L80 VanDerWaalsContact O-N 3.11Å; V77-L80 WeakPolarHBondContact O-CA 3.38Å; V77-L80 VanDerWaalsContact O-CB 3.32Å; V77-L80 WeakPolarHBondContact O-CB 3.24Å; V77-L80 PolarHBondContact O-N 3.45Å; L80-S82 PolarHBondContact O-N 2.68Å; L80-S82 VanDerWaalsContact O-N 3.13Å; L80-F83 PolarHBondContact O-N 3.4Å; L80-Y84 HydrophobicContact CB-CD2 4.16Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 PolarHBondContact O-N 3.04Å; L80-L86 HydrophobicContact CB-CD2 4.33Å; L80-H225 HydrophobicContact CD1-CB 4.1Å; L80-H225 HydrophobicContact CD2-CB 3.53Å; L80-H225 HydrophobicContact CG-CB 4.47Å; L80-L226 HydrophobicContact CD1-CD2 4Å; L80-L226 HydrophobicContact CD1-CG 4.36Å; L80-H360 VanDerWaalsContact CD1-CD2 3.5Å; L80-H360 WeakPolarHBondContact CD1-CD2 3.47Å
81	S	91	Very high	95	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.9	176	-65.3	0	0	0	0	115	V77 N78 K79 L86	V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.5Å; N78-S81 WeakPolarHBondContact O-CB 3.42Å; N78-S81 PolarHBondContact O-N 2.74Å; K79-S81 VanDerWaalsContact C-N 3.27Å; K79-S81 PolarHBondContact O-N 3.32Å; S81-L86 WeakPolarHBondContact CA-O 3.16Å; S81-L86 WeakPolarHBondContact CB-O 3.04Å; S81-L86 PolarHBondContact OG-O 3.25Å
82	S	90.1	Very high	95.1	Very high	91 Å²	91	36.7 Å²	36.7	64%	0.636	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.6	170.8	60.9	0	0	0	0	113.5	K79 L80	K79-S82 PolarHBondContact O-N 3Å; K79-S82 PolarHBondContact O-OG 3.12Å; L80-S82 PolarHBondContact O-N 2.68Å; L80-S82 VanDerWaalsContact O-N 3.13Å
83	F	89.1	Confident	95.2	Very high	135 Å²	135	34.9 Å²	34.9	59%	0.592	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-28.9	-178.9	-57.8	-71.1	0	0	0	112.6	K79 L80	K79-F83 WeakPolarHBondContact O-CD2 3.44Å; K79-F83 WeakPolarHBondContact O-CE2 3.4Å; L80-F83 PolarHBondContact O-N 3.4Å
84	Y	94.2	Very high	95.4	Very high	15 Å²	15	34.8 Å²	34.8	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-112.9	154.7	177.4	-67	-54.9	0	0	0	111.6	L80 L86 F167 F221 Q222 H225 L226	L80-Y84 HydrophobicContact CB-CD2 4.16Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 PolarHBondContact O-N 3.04Å; Y84-L86 PolarHBondContact O-N 2.99Å; Y84-F167 HydrophobicContact CD1-CE2 4.34Å; Y84-F167 HydrophobicContact CG-CE2 4.14Å; Y84-F221 HydrophobicContact CE1-CB 4.12Å; Y84-Q222 HydrophobicContact CE1-CB 4.12Å; Y84-Q222 PolarHBondContact OH-O 2.76Å; Y84-H225 HydrophobicContact CE2-CB 3.83Å; Y84-L226 HydrophobicContact CD2-CD1 4.31Å; Y84-L226 HydrophobicContact CE2-CB 4.47Å; Y84-L226 HydrophobicContact CE2-CD1 4.16Å; Y84-L226 HydrophobicContact CE2-CG 3.94Å
85	S	96.8	Very high	95.5	Very high	53 Å²	53	34.3 Å²	34.3	37%	0.371	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	70.9	161.1	-170	0	0	0	0	109.5	F167 V168	S85-F167 WeakPolarHBondContact O-CA 3.49Å; S85-F167 WeakPolarHBondContact O-CD2 3.41Å; S85-V168 PolarHBondContact O-N 3.03Å
86	L	97.8	Very high	95.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.2	-173.1	172.6	68.6	0	0	0	109.6	V77 L80 S81 Y84 L88 Y166 F167 L226 F368	V77-L86 HydrophobicContact CG1-CD2 4.44Å; L80-L86 HydrophobicContact CB-CD2 4.33Å; S81-L86 WeakPolarHBondContact CA-O 3.16Å; S81-L86 WeakPolarHBondContact CB-O 3.04Å; S81-L86 PolarHBondContact OG-O 3.25Å; Y84-L86 PolarHBondContact O-N 2.99Å; L86-L88 HydrophobicContact CD1-CD2 4.06Å; L86-L88 HydrophobicContact CD1-CG 4.35Å; L86-Y166 WeakPolarHBondContact CA-O 3.49Å; L86-Y166 WeakPolarHBondContact CD1-O 3.29Å; L86-F167 HydrophobicContact CB-CD2 3.82Å; L86-F167 HydrophobicContact CB-CE2 4.37Å; L86-F167 HydrophobicContact CD1-CB 3.79Å; L86-F167 HydrophobicContact CD1-CD2 3.97Å; L86-F167 HydrophobicContact CD1-CG 4.03Å; L86-F167 HydrophobicContact CG-CD2 4.41Å; L86-L226 HydrophobicContact CD2-CD1 3.98Å; L86-F368 HydrophobicContact CD1-CE2 3.77Å; L86-F368 HydrophobicContact CD1-CZ 3.83Å
87	K	98.1	Very high	95.7	Very high	53 Å²	53	38.7 Å²	38.7	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135	165.6	-61.6	-69.3	-174.3	176.4	0	110	I89 D141 A165 Y166	K87-I89 HydrophobicContact CB-CD1 4.25Å; K87-I89 HydrophobicContact CB-CG1 4.33Å; K87-D141 WeakPolarHBondContact CE-OD2 3.4Å; K87-D141 IonicContact NZ-OD2 2.78Å; K87-A165 CarbonylContact O-C 3.49Å; K87-A165 VanDerWaalsContact O-CA 3.25Å; K87-A165 WeakPolarHBondContact O-CA 3.42Å; K87-Y166 HydrophobicContact CB-CD1 3.88Å; K87-Y166 HydrophobicContact CB-CE1 3.5Å; K87-Y166 VanDerWaalsContact CB-CE1 3.5Å; K87-Y166 HydrophobicContact CG-CD1 4.2Å; K87-Y166 HydrophobicContact CG-CE1 3.31Å; K87-Y166 PolarHBondContact N-O 3.29Å; K87-Y166 PolarHBondContact O-N 2.7Å
88	L	97.9	Very high	95.9	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	88	169.9	-61.4	-167.2	0	0	0	108.9	I33 V77 L86 K90 A165 I367 F368	I33-L88 HydrophobicContact CG2-CD1 3.85Å; V77-L88 HydrophobicContact CG1-CB 4.3Å; V77-L88 HydrophobicContact CG1-CD1 3.56Å; V77-L88 HydrophobicContact CG1-CG 3.87Å; V77-L88 HydrophobicContact CG2-CD1 4.47Å; L86-L88 HydrophobicContact CD1-CD2 4.06Å; L86-L88 HydrophobicContact CD1-CG 4.35Å; L88-K90 PolarHBondContact O-NZ 2.73Å; L88-A165 HydrophobicContact CD2-CB 3.5Å; L88-I367 HydrophobicContact CD1-CG2 3.59Å; L88-I367 HydrophobicContact CD2-CG2 4.04Å; L88-I367 HydrophobicContact CG-CG2 4.35Å; L88-F368 HydrophobicContact CD2-CE1 4.16Å; L88-F368 HydrophobicContact CD2-CE2 4.48Å; L88-F368 HydrophobicContact CD2-CZ 3.74Å
89	I	98.2	Very high	96.1	Very high	20 Å²	20	40.8 Å²	40.8	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.5	-179.3	-50.2	-53.6	0	0	0	109.1	K87 R91 I136 L139 T140 N163 A164	K87-I89 HydrophobicContact CB-CD1 4.25Å; K87-I89 HydrophobicContact CB-CG1 4.33Å; I89-R91 HydrophobicContact CG2-CG 4.15Å; I89-I136 HydrophobicContact CG2-CD1 3.78Å; I89-L139 HydrophobicContact CD1-CB 3.92Å; I89-L139 HydrophobicContact CG1-CB 3.95Å; I89-L139 HydrophobicContact CG2-CB 4.32Å; I89-L139 HydrophobicContact CG2-CD1 4.01Å; I89-T140 HydrophobicContact CB-CG2 4.4Å; I89-T140 HydrophobicContact CG1-CG2 3.62Å; I89-N163 WeakPolarHBondContact O-CA 3.39Å; I89-A164 WeakPolarHBondContact CA-O 2.91Å; I89-A164 HydrophobicContact CB-CB 4.37Å; I89-A164 WeakPolarHBondContact CB-O 3.2Å; I89-A164 PolarHBondContact N-O 2.79Å; I89-A164 PolarHBondContact O-N 2.93Å
90	K	98.2	Very high	96.3	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.7	-179.8	-56.8	158.8	-69.1	-76.2	0	106.6	C34 T37 L88 E115	C34-K90 HydrophobicContact CB-CD 4.37Å; C34-K90 HydrophobicContact CB-CG 3.88Å; T37-K90 HydrophobicContact CG2-CD 3.75Å; L88-K90 PolarHBondContact O-NZ 2.73Å; K90-E115 HydrophobicContact CB-CG 4.5Å; K90-E115 WeakPolarHBondContact CE-OE1 3.38Å; K90-E115 IonicContact NZ-OE1 2.76Å; K90-E115 WeakPolarHBondContact O-CA 3.26Å; K90-E115 WeakPolarHBondContact O-CB 3.5Å
91	R	98.3	Very high	96.5	Very high	27 Å²	27	37.9 Å²	37.9	10%	0.102	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.3	-180	-71.7	-70.2	-177.8	-93.9	7.1	110.2	I89 Y93 K114 E115 I136 V161 V162	I89-R91 HydrophobicContact CG2-CG 4.15Å; R91-Y93 HydrophobicContact CB-CD2 4.06Å; R91-Y93 HydrophobicContact CB-CE1 4.44Å; R91-Y93 HydrophobicContact CB-CE2 3.42Å; R91-Y93 VanDerWaalsContact CB-CE2 3.42Å; R91-Y93 HydrophobicContact CG-CE2 4.17Å; R91-K114 WeakPolarHBondContact CD-O 3.47Å; R91-K114 PolarHBondContact NE-O 3.23Å; R91-K114 VanDerWaalsContact NE-O 3.11Å; R91-K114 PolarHBondContact NH1-O 2.93Å; R91-K114 PolarHBondContact NH2-O 3.27Å; R91-E115 CarbonylContact C-O 3.59Å; R91-E115 VanDerWaalsContact CA-O 3.3Å; R91-E115 WeakPolarHBondContact CA-O 3.41Å; R91-I136 HydrophobicContact CG-CD1 4.12Å; R91-V161 WeakPolarHBondContact O-CA 3.42Å; R91-V162 PolarHBondContact N-O 3.26Å; R91-V162 PolarHBondContact O-N 3.44Å
92	L	98.5	Very high	96.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.2	169.2	-168	149.8	0	0	0	106.2	L41 A42 I94 E115 L116 E117 I159 L160 V161	L41-L92 HydrophobicContact CD2-CB 3.78Å; L41-L92 HydrophobicContact CD2-CD1 4.15Å; L41-L92 HydrophobicContact CD2-CG 4.44Å; L41-L92 HydrophobicContact CG-CD1 4.13Å; A42-L92 HydrophobicContact CB-CD1 4.08Å; L92-I94 HydrophobicContact CD2-CD1 3.45Å; L92-I94 VanDerWaalsContact CD2-CD1 3.45Å; L92-I94 HydrophobicContact CD2-CG1 3.31Å; L92-E115 PolarHBondContact N-O 3.12Å; L92-L116 HydrophobicContact CD2-CD1 3.67Å; L92-E117 PolarHBondContact O-N 3.11Å; L92-I159 HydrophobicContact CD1-CG2 4.43Å; L92-I159 HydrophobicContact CD2-CG2 3.88Å; L92-I159 HydrophobicContact CG-CG2 4.06Å; L92-L160 WeakPolarHBondContact CA-O 3.48Å; L92-V161 HydrophobicContact CD1-CG2 4.06Å; L92-V161 HydrophobicContact CG-CG2 4.22Å
93	Y	98.6	Very high	97.1	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.8	178.7	-63.5	-76.4	0	0	0	109.1	R91 E117 V119 I132 I159 L160 V162	R91-Y93 HydrophobicContact CB-CD2 4.06Å; R91-Y93 HydrophobicContact CB-CE1 4.44Å; R91-Y93 HydrophobicContact CB-CE2 3.42Å; R91-Y93 VanDerWaalsContact CB-CE2 3.42Å; R91-Y93 HydrophobicContact CG-CE2 4.17Å; Y93-E117 CarbonylContact C-O 3.46Å; Y93-E117 VanDerWaalsContact CA-O 3.31Å; Y93-E117 WeakPolarHBondContact CA-O 3.26Å; Y93-E117 HydrophobicContact CD1-CB 3.92Å; Y93-E117 HydrophobicContact CD1-CG 4.31Å; Y93-E117 HydrophobicContact CE1-CB 4.02Å; Y93-E117 HydrophobicContact CE1-CG 4.27Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.05Å; Y93-V119 HydrophobicContact CD1-CG1 3.8Å; Y93-V119 HydrophobicContact CE1-CG1 4.42Å; Y93-I132 HydrophobicContact CD1-CD1 4.18Å; Y93-I132 HydrophobicContact CD1-CG1 4.21Å; Y93-I132 HydrophobicContact CD2-CD1 4.21Å; Y93-I132 HydrophobicContact CE1-CD1 4.35Å; Y93-I132 HydrophobicContact CE1-CG1 3.9Å; Y93-I132 HydrophobicContact CE2-CD1 4.36Å; Y93-I132 HydrophobicContact CE2-CG1 4.28Å; Y93-I132 HydrophobicContact CE2-CG2 3.89Å; Y93-I132 HydrophobicContact CG-CD1 4.11Å; Y93-I159 WeakPolarHBondContact O-CA 3.5Å; Y93-L160 HydrophobicContact CD2-CD2 4.13Å; Y93-L160 PolarHBondContact N-O 3.21Å; Y93-L160 PolarHBondContact O-N 2.89Å; Y93-V162 HydrophobicContact CD2-CB 4.39Å; Y93-V162 HydrophobicContact CD2-CG2 3.85Å; Y93-V162 HydrophobicContact CE2-CB 3.98Å; Y93-V162 HydrophobicContact CE2-CG2 3.75Å
94	I	98.5	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.3	179.4	-55.7	-164.5	0	0	0	109	L92 L98 L100 F104 L116 E117 T118 V119 M307	L92-I94 HydrophobicContact CD2-CD1 3.45Å; L92-I94 VanDerWaalsContact CD2-CD1 3.45Å; L92-I94 HydrophobicContact CD2-CG1 3.31Å; I94-L98 HydrophobicContact CG2-CB 3.9Å; I94-L98 HydrophobicContact CG2-CD1 3.42Å; I94-L98 VanDerWaalsContact CG2-CD1 3.42Å; I94-L98 HydrophobicContact CG2-CG 4.08Å; I94-L100 HydrophobicContact CB-CD1 4.39Å; I94-L100 HydrophobicContact CD1-CD1 3.94Å; I94-L100 HydrophobicContact CD1-CD2 3.77Å; I94-L100 HydrophobicContact CD1-CG 4.43Å; I94-L100 HydrophobicContact CG2-CD1 4.37Å; I94-L100 HydrophobicContact CG2-CD2 4.01Å; I94-L100 HydrophobicContact CG2-CG 4.31Å; I94-F104 HydrophobicContact CD1-CE1 4.3Å; I94-L116 HydrophobicContact CD1-CD1 3.58Å; I94-L116 HydrophobicContact CG1-CD1 3.9Å; I94-E117 PolarHBondContact N-O 3.16Å; I94-T118 CarbonylContact O-C 3.46Å; I94-T118 VanDerWaalsContact O-CA 3.24Å; I94-T118 WeakPolarHBondContact O-CA 3.44Å; I94-T118 VanDerWaalsContact O-CG2 3.27Å; I94-T118 WeakPolarHBondContact O-CG2 3.09Å; I94-V119 PolarHBondContact O-N 3.21Å; I94-M307 HydrophobicContact CD1-CE 4.47Å; I94-M307 HydrophobicContact CD1-SD 4.06Å
95	D	98.6	Very high	97.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.2	173.5	-171.5	-99	0	0	0	111.8	S97 L98 V119 F121 K122 K158	D95-S97 PolarHBondContact O-N 3.38Å; D95-S97 VanDerWaalsContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CB 3.37Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 3.44Å; D95-L98 WeakPolarHBondContact O-CB 3.4Å; D95-L98 PolarHBondContact O-N 2.89Å; D95-L98 VanDerWaalsContact O-N 3.07Å; D95-V119 CarbonylContact C-O 3.54Å; D95-V119 WeakPolarHBondContact CA-O 3.43Å; D95-F121 HydrophobicContact CB-CD2 4.12Å; D95-F121 WeakPolarHBondContact OD2-CB 3.37Å; D95-F121 PolarHBondContact OD2-N 3.23Å; D95-K122 PolarHBondContact OD2-N 3.18Å; D95-K158 PolarHBondContact N-O 3.42Å
96	K	97.4	Very high	97.6	Very high	116 Å²	116	42.1 Å²	42.1	50%	0.504	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-58	-26.8	-179.7	-78.3	174.5	-170.7	168.6	0	113.4	L98 N99 T118 V119 D120	K96-L98 PolarHBondContact O-N 3.19Å; K96-N99 PolarHBondContact O-N 3.01Å; K96-T118 HydrophobicContact CB-CG2 4.17Å; K96-T118 HydrophobicContact CG-CG2 3.49Å; K96-T118 VanDerWaalsContact CG-CG2 3.49Å; K96-V119 WeakPolarHBondContact CG-O 3.49Å; K96-V119 PolarHBondContact N-O 2.83Å; K96-D120 HydrophobicContact CD-CB 4.24Å
97	S	96.9	Very high	97.5	Very high	43 Å²	43	44.5 Å²	44.5	30%	0.301	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.1	-13.7	177.3	66.6	0	0	0	0	113.9	D95	D95-S97 PolarHBondContact O-N 3.38Å; D95-S97 VanDerWaalsContact O-N 3.13Å; D95-S97 WeakPolarHBondContact OD1-CB 3.37Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 3.44Å
98	L	96.9	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-82.9	-7.4	-179.8	-58.9	-173.2	0	0	0	114.5	I94 D95 K96 L100 K158 I159 S308 T310 V313	I94-L98 HydrophobicContact CG2-CB 3.9Å; I94-L98 HydrophobicContact CG2-CD1 3.42Å; I94-L98 VanDerWaalsContact CG2-CD1 3.42Å; I94-L98 HydrophobicContact CG2-CG 4.08Å; D95-L98 WeakPolarHBondContact O-CB 3.4Å; D95-L98 PolarHBondContact O-N 2.89Å; D95-L98 VanDerWaalsContact O-N 3.07Å; K96-L98 PolarHBondContact O-N 3.19Å; L98-L100 PolarHBondContact O-N 3.36Å; L98-K158 HydrophobicContact CD1-CB 4.19Å; L98-K158 HydrophobicContact CD2-CD 4.47Å; L98-I159 HydrophobicContact CD1-CG1 4.07Å; L98-S308 VanDerWaalsContact O-CB 3.23Å; L98-S308 WeakPolarHBondContact O-CB 3.28Å; L98-S308 PolarHBondContact O-OG 2.85Å; L98-T310 HydrophobicContact CD2-CG2 3.79Å; L98-V313 HydrophobicContact CD1-CG1 3.71Å; L98-V313 HydrophobicContact CD2-CB 4.41Å; L98-V313 HydrophobicContact CD2-CG1 4.13Å; L98-V313 HydrophobicContact CD2-CG2 3.39Å
99	N	96.5	Very high	97.2	Very high	132 Å²	132	49.4 Å²	49.4	71%	0.706	26%	0.263	S	S	*	.			trans	40	66	172.6	-64.3	-45.6	0	0	0	113.7	K96 S101	K96-N99 PolarHBondContact O-N 3.01Å; N99-S101 PolarHBondContact O-N 3.26Å
100	L	97.8	Very high	97	Very high	26 Å²	26	58 Å²	58	14%	0.136	29%	0.294	C	S	.	.			trans	-55.6	138.1	-171.7	-67.5	176.7	0	0	0	113.2	I94 L98 F104 I105 L116 M307	I94-L100 HydrophobicContact CB-CD1 4.39Å; I94-L100 HydrophobicContact CD1-CD1 3.94Å; I94-L100 HydrophobicContact CD1-CD2 3.77Å; I94-L100 HydrophobicContact CD1-CG 4.43Å; I94-L100 HydrophobicContact CG2-CD1 4.37Å; I94-L100 HydrophobicContact CG2-CD2 4.01Å; I94-L100 HydrophobicContact CG2-CG 4.31Å; L98-L100 PolarHBondContact O-N 3.36Å; L100-F104 HydrophobicContact CD1-CD1 4.43Å; L100-F104 HydrophobicContact CD1-CE1 4.35Å; L100-F104 HydrophobicContact CD2-CD1 4.1Å; L100-F104 HydrophobicContact CD2-CE1 4.21Å; L100-I105 HydrophobicContact CB-CD1 3.94Å; L100-I105 HydrophobicContact CB-CG1 4.06Å; L100-L116 HydrophobicContact CD1-CD2 4.28Å; L100-M307 CarbonylContact C-O 3.56Å; L100-M307 WeakPolarHBondContact CA-O 3.31Å; L100-M307 HydrophobicContact CD2-CB 4.06Å; L100-M307 HydrophobicContact CD2-SD 4.45Å
101	S	97.8	Very high	96.9	Very high	42 Å²	42	58.4 Å²	58.4	29%	0.294	30%	0.297	S	S	.	.			trans	-63.6	139	177.1	81.5	0	0	0	0	111	N99 E103 F104 I105 G306 M307	N99-S101 PolarHBondContact O-N 3.26Å; S101-E103 PolarHBondContact O-N 2.98Å; S101-F104 PolarHBondContact O-N 2.93Å; S101-F104 VanDerWaalsContact O-N 3.14Å; S101-F104 WeakPolarHBondContact OG-CB 3.06Å; S101-F104 PolarHBondContact OG-N 2.91Å; S101-F104 VanDerWaalsContact OG-N 3.1Å; S101-I105 PolarHBondContact O-N 2.99Å; S101-I105 VanDerWaalsContact O-N 3.1Å; S101-G306 PolarHBondContact OG-O 2.93Å; S101-M307 PolarHBondContact N-O 2.88Å
102	T	96.9	Very high	96.8	Very high	119 Å²	119	57.3 Å²	57.3	73%	0.73	29%	0.293	S	S	*	.	H	α-helix	trans	-59.3	-32.2	177.9	-53.1	0	0	0	0	111.7	I105 S106	T102-I105 PolarHBondContact O-N 3.14Å; T102-S106 VanDerWaalsContact O-CB 3.27Å; T102-S106 WeakPolarHBondContact O-CB 3.21Å; T102-S106 PolarHBondContact O-N 2.89Å; T102-S106 PolarHBondContact O-OG 2.96Å
103	E	96.8	Very high	96.5	Very high	141 Å²	141	59.9 Å²	59.9	66%	0.659	32%	0.315	S	S	*	.	H	α-helix	trans	-69.1	-39.1	177.8	-171.6	61.9	-171	0	0	112.4	S101 S106 S107	S101-E103 PolarHBondContact O-N 2.98Å; E103-S106 WeakPolarHBondContact CA-OG 3.48Å; E103-S106 PolarHBondContact O-OG 3.49Å; E103-S107 VanDerWaalsContact O-CB 3.26Å; E103-S107 WeakPolarHBondContact O-CB 3.13Å; E103-S107 PolarHBondContact O-N 3.46Å; E103-S107 PolarHBondContact O-OG 3.28Å
104	F	97.6	Very high	96.3	Very high	4 Å²	4	68 Å²	68	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-44.7	172.9	175	-106.6	0	0	0	111.5	L41 V44 I94 L100 S101 S106 S107 T108 L116 M307	L41-F104 HydrophobicContact CD1-CE2 4.48Å; L41-F104 HydrophobicContact CD1-CZ 4.15Å; V44-F104 HydrophobicContact CB-CE2 4.16Å; V44-F104 HydrophobicContact CG1-CD2 4.02Å; V44-F104 HydrophobicContact CG1-CE2 4.09Å; I94-F104 HydrophobicContact CD1-CE1 4.3Å; L100-F104 HydrophobicContact CD1-CD1 4.43Å; L100-F104 HydrophobicContact CD1-CE1 4.35Å; L100-F104 HydrophobicContact CD2-CD1 4.1Å; L100-F104 HydrophobicContact CD2-CE1 4.21Å; S101-F104 PolarHBondContact O-N 2.93Å; S101-F104 VanDerWaalsContact O-N 3.14Å; S101-F104 WeakPolarHBondContact OG-CB 3.06Å; S101-F104 PolarHBondContact OG-N 2.91Å; S101-F104 VanDerWaalsContact OG-N 3.1Å; F104-S106 PolarHBondContact O-N 3.11Å; F104-S107 PolarHBondContact O-OG 3.39Å; F104-T108 HydrophobicContact CD2-CG2 4.08Å; F104-T108 HydrophobicContact CE2-CG2 3.77Å; F104-T108 HydrophobicContact CZ-CG2 4.11Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 VanDerWaalsContact O-CG2 3.26Å; F104-T108 WeakPolarHBondContact O-CG2 3.43Å; F104-T108 PolarHBondContact O-N 3.09Å; F104-T108 VanDerWaalsContact O-N 3.16Å; F104-T108 PolarHBondContact O-OG1 3.1Å; F104-L116 HydrophobicContact CD1-CD2 4.31Å; F104-L116 HydrophobicContact CE1-CD1 4.11Å; F104-L116 HydrophobicContact CE1-CD2 3.67Å; F104-L116 HydrophobicContact CZ-CD1 4.48Å; F104-L116 HydrophobicContact CZ-CD2 4.4Å; F104-M307 HydrophobicContact CB-CB 4.29Å; F104-M307 HydrophobicContact CD1-CB 3.77Å; F104-M307 HydrophobicContact CD2-CB 3.84Å; F104-M307 HydrophobicContact CE1-CB 4Å; F104-M307 HydrophobicContact CE2-CB 4.09Å; F104-M307 HydrophobicContact CE2-CE 4.26Å; F104-M307 HydrophobicContact CG-CB 3.69Å; F104-M307 HydrophobicContact CZ-CB 4.16Å; F104-M307 HydrophobicContact CZ-CE 3.97Å
105	I	96.8	Very high	96.2	Very high	77 Å²	77	68.4 Å²	68.4	40%	0.395	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-44.5	178.1	-62.7	170.4	0	0	0	110.7	L100 S101 T102 T108 K109	L100-I105 HydrophobicContact CB-CD1 3.94Å; L100-I105 HydrophobicContact CB-CG1 4.06Å; S101-I105 PolarHBondContact O-N 2.99Å; S101-I105 VanDerWaalsContact O-N 3.1Å; T102-I105 PolarHBondContact O-N 3.14Å; I105-T108 PolarHBondContact O-N 2.77Å; I105-T108 PolarHBondContact O-OG1 3.14Å; I105-K109 WeakPolarHBondContact O-CB 3.21Å; I105-K109 PolarHBondContact O-N 3Å; I105-K109 VanDerWaalsContact O-N 3.1Å
106	S	96.1	Very high	96.1	Very high	63 Å²	63	70 Å²	70	44%	0.441	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-43.3	-177.7	72.8	0	0	0	0	111.8	T102 E103 F104 T108	T102-S106 VanDerWaalsContact O-CB 3.27Å; T102-S106 WeakPolarHBondContact O-CB 3.21Å; T102-S106 PolarHBondContact O-N 2.89Å; T102-S106 PolarHBondContact O-OG 2.96Å; E103-S106 WeakPolarHBondContact CA-OG 3.48Å; E103-S106 PolarHBondContact O-OG 3.49Å; F104-S106 PolarHBondContact O-N 3.11Å; S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.01Å
107	S	95.2	Very high	96.1	Very high	51 Å²	51	68.2 Å²	68.2	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-68.8	-29.5	-179.2	59.2	0	0	0	0	113.2	E103 F104 P111	E103-S107 VanDerWaalsContact O-CB 3.26Å; E103-S107 WeakPolarHBondContact O-CB 3.13Å; E103-S107 PolarHBondContact O-N 3.46Å; E103-S107 PolarHBondContact O-OG 3.28Å; F104-S107 PolarHBondContact O-OG 3.39Å; S107-P111 WeakPolarHBondContact O-CD 3.19Å
108	T	95.9	Very high	96.2	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-92.8	-17.2	-178.6	57.5	0	0	0	0	114	L41 V44 F104 I105 S106 R110 P111 Y112	L41-T108 HydrophobicContact CD1-CG2 3.39Å; V44-T108 HydrophobicContact CB-CG2 4.3Å; V44-T108 HydrophobicContact CG1-CG2 3.84Å; F104-T108 HydrophobicContact CD2-CG2 4.08Å; F104-T108 HydrophobicContact CE2-CG2 3.77Å; F104-T108 HydrophobicContact CZ-CG2 4.11Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 VanDerWaalsContact O-CG2 3.26Å; F104-T108 WeakPolarHBondContact O-CG2 3.43Å; F104-T108 PolarHBondContact O-N 3.09Å; F104-T108 VanDerWaalsContact O-N 3.16Å; F104-T108 PolarHBondContact O-OG1 3.1Å; I105-T108 PolarHBondContact O-N 2.77Å; I105-T108 PolarHBondContact O-OG1 3.14Å; S106-T108 VanDerWaalsContact C-N 3.34Å; S106-T108 PolarHBondContact O-N 3.01Å; T108-R110 VanDerWaalsContact C-N 3.34Å; T108-R110 PolarHBondContact O-N 3.01Å; T108-P111 WeakPolarHBondContact O-CD 3.13Å; T108-Y112 HydrophobicContact CG2-CD2 4.07Å; T108-Y112 HydrophobicContact CG2-CE2 4.47Å; T108-Y112 PolarHBondContact O-N 3.29Å
109	K	94.1	Very high	96.2	Very high	160 Å²	160	69.5 Å²	69.5	70%	0.696	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.1	-172.4	-170.2	171.3	-175.9	173.3	0	115.1	I105	I105-K109 WeakPolarHBondContact O-CB 3.21Å; I105-K109 PolarHBondContact O-N 3Å; I105-K109 VanDerWaalsContact O-N 3.1Å
110	R	94.6	Very high	96.3	Very high	201 Å²	201	64.3 Å²	64.3	76%	0.758	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-48.1	179.1	-67.1	-178.2	177.6	-179.8	0.4	112.5	T108 Y112	T108-R110 VanDerWaalsContact C-N 3.34Å; T108-R110 PolarHBondContact O-N 3.01Å; R110-Y112 VanDerWaalsContact C-N 3.32Å; R110-Y112 PolarHBondContact O-N 3.21Å
111	P	94.8	Very high	96.3	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.104	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.2	-175.9	-25.4	38.1	0	0	0	114.2	P67 Q71 S107 T108	P67-P111 HydrophobicContact CB-CB 3.71Å; P67-P111 HydrophobicContact CB-CG 3.82Å; P67-P111 WeakPolarHBondContact O-CB 3.33Å; Q71-P111 HydrophobicContact CB-CB 4.28Å; S107-P111 WeakPolarHBondContact O-CD 3.19Å; T108-P111 WeakPolarHBondContact O-CD 3.13Å
112	Y	96.5	Very high	96.2	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.016	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	43.2	-174.2	-53.3	-75.4	0	0	0	110.8	T37 S40 L41 V44 P67 F70 T108 R110 K114 E115	T37-Y112 HydrophobicContact CG2-CD1 4.02Å; T37-Y112 HydrophobicContact CG2-CE1 4.1Å; S40-Y112 WeakPolarHBondContact OG-CE1 3.23Å; S40-Y112 PolarHBondContact OG-OH 2.89Å; S40-Y112 VanDerWaalsContact OG-OH 3.11Å; L41-Y112 HydrophobicContact CB-CD1 3.88Å; L41-Y112 HydrophobicContact CB-CD2 4.26Å; L41-Y112 HydrophobicContact CB-CE1 3.93Å; L41-Y112 HydrophobicContact CB-CE2 4.3Å; L41-Y112 HydrophobicContact CB-CG 4.04Å; L41-Y112 HydrophobicContact CD1-CD2 3.57Å; L41-Y112 HydrophobicContact CD1-CE2 4.07Å; L41-Y112 HydrophobicContact CD1-CG 3.81Å; L41-Y112 HydrophobicContact CD2-CG 4.38Å; L41-Y112 HydrophobicContact CG-CD2 4.42Å; L41-Y112 HydrophobicContact CG-CG 4.28Å; V44-Y112 HydrophobicContact CG2-CE2 4.12Å; P67-Y112 HydrophobicContact CB-CE2 4.08Å; F70-Y112 HydrophobicContact CB-CE1 4.2Å; T108-Y112 HydrophobicContact CG2-CD2 4.07Å; T108-Y112 HydrophobicContact CG2-CE2 4.47Å; T108-Y112 PolarHBondContact O-N 3.29Å; R110-Y112 VanDerWaalsContact C-N 3.32Å; R110-Y112 PolarHBondContact O-N 3.21Å; Y112-K114 PolarHBondContact O-N 2.83Å; Y112-E115 WeakPolarHBondContact CD1-OE2 3.26Å; Y112-E115 WeakPolarHBondContact O-CB 3.48Å; Y112-E115 PolarHBondContact O-N 3.15Å
113	A	92.8	Very high	96.3	Very high	57 Å²	57	67 Å²	67	47%	0.471	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	121.9	-171.1	0	0	0	0	0	112.4	E115	A113-E115 PolarHBondContact O-N 3.01Å
114	K	93.3	Very high	96.3	Very high	172 Å²	172	64.8 Å²	64.8	75%	0.748	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	0.5	-174.8	-50.9	-179.4	179.1	-176.4	0	115	R91 Y112	R91-K114 WeakPolarHBondContact CD-O 3.47Å; R91-K114 PolarHBondContact NE-O 3.23Å; R91-K114 VanDerWaalsContact NE-O 3.11Å; R91-K114 PolarHBondContact NH1-O 2.93Å; R91-K114 PolarHBondContact NH2-O 3.27Å; Y112-K114 PolarHBondContact O-N 2.83Å
115	E	96.2	Very high	96.2	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.037	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.3	-178.2	-56.7	-178.8	170.4	0	0	112.7	T37 T74 K90 R91 L92 Y112 A113	T37-E115 VanDerWaalsContact CG2-OE2 3.3Å; T37-E115 WeakPolarHBondContact CG2-OE2 3.24Å; T74-E115 WeakPolarHBondContact CG2-OE1 3.48Å; K90-E115 HydrophobicContact CB-CG 4.5Å; K90-E115 WeakPolarHBondContact CE-OE1 3.38Å; K90-E115 IonicContact NZ-OE1 2.76Å; K90-E115 WeakPolarHBondContact O-CA 3.26Å; K90-E115 WeakPolarHBondContact O-CB 3.5Å; R91-E115 CarbonylContact C-O 3.59Å; R91-E115 VanDerWaalsContact CA-O 3.3Å; R91-E115 WeakPolarHBondContact CA-O 3.41Å; L92-E115 PolarHBondContact N-O 3.12Å; Y112-E115 WeakPolarHBondContact CD1-OE2 3.26Å; Y112-E115 WeakPolarHBondContact O-CB 3.48Å; Y112-E115 PolarHBondContact O-N 3.15Å; A113-E115 PolarHBondContact O-N 3.01Å
116	L	97.8	Very high	96.2	Very high	35 Å²	35	68.7 Å²	68.7	18%	0.183	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.8	172.2	-178.5	70.8	0	0	0	110.3	L41 L92 I94 L100 F104	L41-L116 HydrophobicContact CD2-CB 4.27Å; L92-L116 HydrophobicContact CD2-CD1 3.67Å; I94-L116 HydrophobicContact CD1-CD1 3.58Å; I94-L116 HydrophobicContact CG1-CD1 3.9Å; L100-L116 HydrophobicContact CD1-CD2 4.28Å; F104-L116 HydrophobicContact CD1-CD2 4.31Å; F104-L116 HydrophobicContact CE1-CD1 4.11Å; F104-L116 HydrophobicContact CE1-CD2 3.67Å; F104-L116 HydrophobicContact CZ-CD1 4.48Å; F104-L116 HydrophobicContact CZ-CD2 4.4Å
117	E	97.4	Very high	96.2	Very high	78 Å²	78	70.2 Å²	70.2	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.5	176	-170.8	168.5	177.3	0	0	110.9	L92 Y93 I94 V119	L92-E117 PolarHBondContact O-N 3.11Å; Y93-E117 CarbonylContact C-O 3.46Å; Y93-E117 VanDerWaalsContact CA-O 3.31Å; Y93-E117 WeakPolarHBondContact CA-O 3.26Å; Y93-E117 HydrophobicContact CD1-CB 3.92Å; Y93-E117 HydrophobicContact CD1-CG 4.31Å; Y93-E117 HydrophobicContact CE1-CB 4.02Å; Y93-E117 HydrophobicContact CE1-CG 4.27Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.05Å; I94-E117 PolarHBondContact N-O 3.16Å; E117-V119 HydrophobicContact CG-CG1 4.34Å
118	T	97.8	Very high	96.4	Very high	62 Å²	62	68 Å²	68	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.3	178.8	-45.8	0	0	0	0	110.1	I94 K96	I94-T118 CarbonylContact O-C 3.46Å; I94-T118 VanDerWaalsContact O-CA 3.24Å; I94-T118 WeakPolarHBondContact O-CA 3.44Å; I94-T118 VanDerWaalsContact O-CG2 3.27Å; I94-T118 WeakPolarHBondContact O-CG2 3.09Å; K96-T118 HydrophobicContact CB-CG2 4.17Å; K96-T118 HydrophobicContact CG-CG2 3.49Å; K96-T118 VanDerWaalsContact CG-CG2 3.49Å
119	V	98.3	Very high	96.4	Very high	8 Å²	8	68.9 Å²	68.9	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	174.1	-174.4	-61.7	0	0	0	0	110.9	Y93 I94 D95 K96 E117 F121 T128	Y93-V119 HydrophobicContact CD1-CG1 3.8Å; Y93-V119 HydrophobicContact CE1-CG1 4.42Å; I94-V119 PolarHBondContact O-N 3.21Å; D95-V119 CarbonylContact C-O 3.54Å; D95-V119 WeakPolarHBondContact CA-O 3.43Å; K96-V119 WeakPolarHBondContact CG-O 3.49Å; K96-V119 PolarHBondContact N-O 2.83Å; E117-V119 HydrophobicContact CG-CG1 4.34Å; V119-F121 HydrophobicContact CG2-CD1 4.42Å; V119-F121 HydrophobicContact CG2-CD2 3.71Å; V119-F121 HydrophobicContact CG2-CE1 4.09Å; V119-F121 HydrophobicContact CG2-CE2 3.31Å; V119-F121 HydrophobicContact CG2-CG 4.24Å; V119-F121 HydrophobicContact CG2-CZ 3.52Å; V119-T128 HydrophobicContact CB-CG2 3.75Å; V119-T128 HydrophobicContact CG1-CG2 4.41Å; V119-T128 HydrophobicContact CG2-CG2 3.82Å
120	D	98.1	Very high	96.5	Very high	24 Å²	24	62.7 Å²	62.7	13%	0.128	31%	0.309	C	S	.	.			trans	-117.5	83.8	-176.9	-169.6	-14.6	0	0	0	109.2	K96 D123 K124 T128	K96-D120 HydrophobicContact CD-CB 4.24Å; D120-D123 PolarHBondContact OD1-N 3Å; D120-K124 HydrophobicContact CB-CB 4.07Å; D120-K124 HydrophobicContact CB-CD 4.28Å; D120-K124 HydrophobicContact CB-CG 4.42Å; D120-K124 CarbonylContact O-C 3.46Å; D120-K124 VanDerWaalsContact O-C 3.29Å; D120-K124 PolarHBondContact O-N 3.04Å; D120-T128 PolarHBondContact O-OG1 2.9Å
121	F	97.9	Very high	96.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.6	177.4	-71.7	-62.2	0	0	0	110.7	D95 V119 L125 T128 I132 T157 L160	D95-F121 HydrophobicContact CB-CD2 4.12Å; D95-F121 WeakPolarHBondContact OD2-CB 3.37Å; D95-F121 PolarHBondContact OD2-N 3.23Å; V119-F121 HydrophobicContact CG2-CD1 4.42Å; V119-F121 HydrophobicContact CG2-CD2 3.71Å; V119-F121 HydrophobicContact CG2-CE1 4.09Å; V119-F121 HydrophobicContact CG2-CE2 3.31Å; V119-F121 HydrophobicContact CG2-CG 4.24Å; V119-F121 HydrophobicContact CG2-CZ 3.52Å; F121-L125 HydrophobicContact CD1-CD1 4.24Å; F121-L125 WeakPolarHBondContact O-CB 3.27Å; F121-T128 HydrophobicContact CD1-CG2 3.69Å; F121-T128 HydrophobicContact CE1-CG2 3.63Å; F121-T128 HydrophobicContact CG-CG2 4.46Å; F121-T128 HydrophobicContact CZ-CG2 4.38Å; F121-I132 HydrophobicContact CE1-CD1 3.83Å; F121-I132 HydrophobicContact CZ-CD1 3.91Å; F121-T157 HydrophobicContact CD1-CG2 4.35Å; F121-T157 HydrophobicContact CD2-CG2 3.77Å; F121-T157 HydrophobicContact CE1-CG2 4.34Å; F121-T157 HydrophobicContact CE2-CG2 3.75Å; F121-T157 HydrophobicContact CG-CG2 4.09Å; F121-T157 HydrophobicContact CZ-CG2 4.06Å; F121-L160 HydrophobicContact CE1-CD2 4.27Å; F121-L160 HydrophobicContact CE2-CB 4.26Å; F121-L160 HydrophobicContact CZ-CB 4.01Å; F121-L160 HydrophobicContact CZ-CD2 3.78Å
122	K	96.4	Very high	96.8	Very high	117 Å²	117	57.2 Å²	57.2	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-54.7	-173	-170.9	-175.8	177.7	-172.6	0	113.4	D95	D95-K122 PolarHBondContact OD2-N 3.18Å
123	D	97.3	Very high	96.8	Very high	127 Å²	127	57.9 Å²	57.9	68%	0.679	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-17.2	-170.2	-60	-37.6	0	0	0	112.1	D120	D120-D123 PolarHBondContact OD1-N 3Å
124	K	97.3	Very high	97.1	Very high	93 Å²	93	59.6 Å²	59.6	40%	0.404	30%	0.296	S	S	.	.			trans	-133.1	36.6	-174	-63.2	179.2	153.4	-125.4	0	114	D120 E126 E127 T128	D120-K124 HydrophobicContact CB-CB 4.07Å; D120-K124 HydrophobicContact CB-CD 4.28Å; D120-K124 HydrophobicContact CB-CG 4.42Å; D120-K124 CarbonylContact O-C 3.46Å; D120-K124 VanDerWaalsContact O-C 3.29Å; D120-K124 PolarHBondContact O-N 3.04Å; K124-E126 PolarHBondContact O-N 2.76Å; K124-E127 HydrophobicContact CB-CB 4.33Å; K124-E127 IonicContact NZ-OE1 3.7Å; K124-E127 IonicContact NZ-OE2 3.44Å; K124-E127 PolarHBondContact NZ-OE2 3.26Å; K124-E127 PolarHBondContact O-N 2.87Å; K124-T128 WeakPolarHBondContact O-CB 3.34Å; K124-T128 PolarHBondContact O-N 3.47Å; K124-T128 PolarHBondContact O-OG1 2.87Å
125	L	96.7	Very high	97.3	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-46.1	-54.2	-173.4	-177.8	60.4	0	0	0	114.5	F121 T128 K129 V153 D155	F121-L125 HydrophobicContact CD1-CD1 4.24Å; F121-L125 WeakPolarHBondContact O-CB 3.27Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-K129 HydrophobicContact CD1-CD 4.1Å; L125-K129 HydrophobicContact CD1-CG 4.26Å; L125-K129 HydrophobicContact CG-CD 4.05Å; L125-K129 WeakPolarHBondContact O-CG 3.05Å; L125-K129 PolarHBondContact O-N 2.86Å; L125-V153 HydrophobicContact CD1-CG2 4.36Å; L125-D155 HydrophobicContact CD2-CB 4.49Å
126	E	95.9	Very high	97.4	Very high	129 Å²	129	52.7 Å²	52.7	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-69.6	-36.6	-174.9	-67.4	-56.8	129.3	0	0	112.8	K124 K129 G130	K124-E126 PolarHBondContact O-N 2.76Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 2.8Å; E126-K129 IonicContact OE2-NZ 3.11Å; E126-G130 PolarHBondContact O-N 3.49Å; E126-G130 VanDerWaalsContact O-N 3.09Å
127	E	97.1	Very high	97.4	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-46.2	172.1	-169	-169.4	154.4	0	0	110.1	K124 G130 Q131	K124-E127 HydrophobicContact CB-CB 4.33Å; K124-E127 IonicContact NZ-OE1 3.7Å; K124-E127 IonicContact NZ-OE2 3.44Å; K124-E127 PolarHBondContact NZ-OE2 3.26Å; K124-E127 PolarHBondContact O-N 2.87Å; E127-G130 PolarHBondContact O-N 2.88Å; E127-Q131 WeakPolarHBondContact O-CG 3.47Å; E127-Q131 PolarHBondContact O-N 3.04Å; E127-Q131 PolarHBondContact OE1-NE2 2.85Å
128	T	97.6	Very high	97.4	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-44.1	178.4	-68.7	0	0	0	0	111.6	V119 D120 F121 K124 L125 G130 Q131 I132	V119-T128 HydrophobicContact CB-CG2 3.75Å; V119-T128 HydrophobicContact CG1-CG2 4.41Å; V119-T128 HydrophobicContact CG2-CG2 3.82Å; D120-T128 PolarHBondContact O-OG1 2.9Å; F121-T128 HydrophobicContact CD1-CG2 3.69Å; F121-T128 HydrophobicContact CE1-CG2 3.63Å; F121-T128 HydrophobicContact CG-CG2 4.46Å; F121-T128 HydrophobicContact CZ-CG2 4.38Å; K124-T128 WeakPolarHBondContact O-CB 3.34Å; K124-T128 PolarHBondContact O-N 3.47Å; K124-T128 PolarHBondContact O-OG1 2.87Å; L125-T128 PolarHBondContact O-N 2.83Å; T128-G130 PolarHBondContact O-N 3.26Å; T128-Q131 PolarHBondContact O-N 2.78Å; T128-I132 HydrophobicContact CG2-CD1 3.78Å; T128-I132 HydrophobicContact CG2-CG1 4.4Å; T128-I132 WeakPolarHBondContact O-CG1 3.26Å; T128-I132 PolarHBondContact O-N 2.97Å
129	K	97.1	Very high	97.3	Very high	23 Å²	23	56.5 Å²	56.5	10%	0.1	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175.2	-76.8	171.4	68.7	-177.6	0	111.4	L125 E126 I132 N133 L148 D150 V153	L125-K129 HydrophobicContact CD1-CD 4.1Å; L125-K129 HydrophobicContact CD1-CG 4.26Å; L125-K129 HydrophobicContact CG-CD 4.05Å; L125-K129 WeakPolarHBondContact O-CG 3.05Å; L125-K129 PolarHBondContact O-N 2.86Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 2.8Å; E126-K129 IonicContact OE2-NZ 3.11Å; K129-I132 PolarHBondContact O-N 2.95Å; K129-N133 WeakPolarHBondContact O-CB 3.44Å; K129-N133 PolarHBondContact O-N 3.44Å; K129-L148 HydrophobicContact CB-CD1 4.24Å; K129-L148 HydrophobicContact CG-CD1 4.04Å; K129-D150 PolarHBondContact NZ-O 2.69Å; K129-V153 HydrophobicContact CD-CG2 3.81Å; K129-V153 HydrophobicContact CG-CG2 3.61Å
130	G	96.4	Very high	97.2	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-43.1	176.4	0	0	0	0	0	112.9	E126 E127 T128 N134	E126-G130 PolarHBondContact O-N 3.49Å; E126-G130 VanDerWaalsContact O-N 3.09Å; E127-G130 PolarHBondContact O-N 2.88Å; T128-G130 PolarHBondContact O-N 3.26Å; G130-N134 WeakPolarHBondContact O-CB 3.28Å; G130-N134 VanDerWaalsContact O-CG 3.27Å; G130-N134 PolarHBondContact O-N 2.82Å; G130-N134 PolarHBondContact O-ND2 2.77Å; G130-N134 VanDerWaalsContact O-ND2 3.14Å
131	Q	97.3	Very high	97.2	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176.9	-74.1	174.7	3	0	0	112.2	E127 T128 S135	E127-Q131 WeakPolarHBondContact O-CG 3.47Å; E127-Q131 PolarHBondContact O-N 3.04Å; E127-Q131 PolarHBondContact OE1-NE2 2.85Å; T128-Q131 PolarHBondContact O-N 2.78Å; Q131-S135 WeakPolarHBondContact O-CB 3.45Å; Q131-S135 PolarHBondContact O-N 3.29Å
132	I	97.9	Very high	97.1	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-48.1	178	-68.1	170.6	0	0	0	110.5	Y93 F121 T128 K129 N134 S135 I136 I147 L148 L160	Y93-I132 HydrophobicContact CD1-CD1 4.18Å; Y93-I132 HydrophobicContact CD1-CG1 4.21Å; Y93-I132 HydrophobicContact CD2-CD1 4.21Å; Y93-I132 HydrophobicContact CE1-CD1 4.35Å; Y93-I132 HydrophobicContact CE1-CG1 3.9Å; Y93-I132 HydrophobicContact CE2-CD1 4.36Å; Y93-I132 HydrophobicContact CE2-CG1 4.28Å; Y93-I132 HydrophobicContact CE2-CG2 3.89Å; Y93-I132 HydrophobicContact CG-CD1 4.11Å; F121-I132 HydrophobicContact CE1-CD1 3.83Å; F121-I132 HydrophobicContact CZ-CD1 3.91Å; T128-I132 HydrophobicContact CG2-CD1 3.78Å; T128-I132 HydrophobicContact CG2-CG1 4.4Å; T128-I132 WeakPolarHBondContact O-CG1 3.26Å; T128-I132 PolarHBondContact O-N 2.97Å; K129-I132 PolarHBondContact O-N 2.95Å; I132-N134 PolarHBondContact O-N 2.96Å; I132-S135 PolarHBondContact O-N 2.9Å; I132-I136 HydrophobicContact CG2-CG1 4.24Å; I132-I136 WeakPolarHBondContact O-CB 3.43Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3Å; I132-I136 PolarHBondContact O-N 2.9Å; I132-I147 HydrophobicContact CG2-CG2 4.24Å; I132-L148 HydrophobicContact CB-CD1 3.88Å; I132-L148 HydrophobicContact CD1-CD1 4.21Å; I132-L148 HydrophobicContact CG2-CD1 3.77Å; I132-L148 HydrophobicContact CG2-CD2 4.26Å; I132-L148 HydrophobicContact CG2-CG 4.02Å; I132-L160 HydrophobicContact CD1-CD2 4.4Å
133	N	97.6	Very high	97	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-48.2	178.8	-81.8	-25.4	0	0	0	111.6	K129 I136 K137 N146 I147 L148	K129-N133 WeakPolarHBondContact O-CB 3.44Å; K129-N133 PolarHBondContact O-N 3.44Å; N133-I136 PolarHBondContact O-N 3.14Å; N133-K137 WeakPolarHBondContact O-CB 3.39Å; N133-K137 PolarHBondContact O-N 3.28Å; N133-N146 PolarHBondContact ND2-OD1 3.39Å; N133-I147 WeakPolarHBondContact OD1-CG2 3.47Å; N133-I147 PolarHBondContact OD1-N 3.32Å; N133-L148 PolarHBondContact OD1-N 3.24Å
134	N	97.7	Very high	96.9	Very high	93 Å²	93	51.9 Å²	51.9	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-44	178.2	-71.4	-30.4	0	0	0	112.3	G130 I132 I136 K137 D138	G130-N134 WeakPolarHBondContact O-CB 3.28Å; G130-N134 VanDerWaalsContact O-CG 3.27Å; G130-N134 PolarHBondContact O-N 2.82Å; G130-N134 PolarHBondContact O-ND2 2.77Å; G130-N134 VanDerWaalsContact O-ND2 3.14Å; I132-N134 PolarHBondContact O-N 2.96Å; N134-I136 PolarHBondContact O-N 2.99Å; N134-K137 WeakPolarHBondContact O-CB 3.41Å; N134-K137 PolarHBondContact O-N 2.98Å; N134-D138 VanDerWaalsContact O-CG 3.31Å; N134-D138 PolarHBondContact O-N 3.24Å
135	S	97.7	Very high	96.7	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-46.8	178.1	179.6	0	0	0	0	111.8	Q131 I132 D138 L139	Q131-S135 WeakPolarHBondContact O-CB 3.45Å; Q131-S135 PolarHBondContact O-N 3.29Å; I132-S135 PolarHBondContact O-N 2.9Å; S135-D138 PolarHBondContact O-N 3.46Å; S135-L139 VanDerWaalsContact O-CB 3.29Å; S135-L139 WeakPolarHBondContact O-CB 3.19Å; S135-L139 WeakPolarHBondContact O-CG 3.3Å; S135-L139 PolarHBondContact O-N 3.49Å
136	I	97.8	Very high	96.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-39.2	177.9	-65.6	-66.3	0	0	0	111.2	I89 R91 I132 N133 N134 L139 T140 I147 V162 A164	I89-I136 HydrophobicContact CG2-CD1 3.78Å; R91-I136 HydrophobicContact CG-CD1 4.12Å; I132-I136 HydrophobicContact CG2-CG1 4.24Å; I132-I136 WeakPolarHBondContact O-CB 3.43Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3Å; I132-I136 PolarHBondContact O-N 2.9Å; N133-I136 PolarHBondContact O-N 3.14Å; N134-I136 PolarHBondContact O-N 2.99Å; I136-L139 PolarHBondContact O-N 3.23Å; I136-T140 HydrophobicContact CG2-CG2 4.41Å; I136-T140 WeakPolarHBondContact O-CB 3.47Å; I136-T140 WeakPolarHBondContact O-CG2 3.47Å; I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 3.25Å; I136-I147 HydrophobicContact CB-CB 4.44Å; I136-I147 HydrophobicContact CB-CG2 4.01Å; I136-I147 HydrophobicContact CG1-CG2 4.04Å; I136-I147 HydrophobicContact CG2-CB 3.9Å; I136-I147 HydrophobicContact CG2-CG1 4.11Å; I136-I147 HydrophobicContact CG2-CG2 4Å; I136-V162 HydrophobicContact CD1-CG1 4.27Å; I136-V162 HydrophobicContact CG1-CG1 4.39Å; I136-A164 HydrophobicContact CG2-CB 3.83Å
137	K	98	Very high	96.5	Very high	79 Å²	79	51 Å²	51	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-57.3	-50	173.6	-179.7	-176.4	177.3	179	0	111.2	N133 N134 T140 D141 G142 F144	N133-K137 WeakPolarHBondContact O-CB 3.39Å; N133-K137 PolarHBondContact O-N 3.28Å; N134-K137 WeakPolarHBondContact O-CB 3.41Å; N134-K137 PolarHBondContact O-N 2.98Å; K137-T140 CarbonylContact O-C 3.57Å; K137-T140 PolarHBondContact O-N 3.5Å; K137-T140 PolarHBondContact O-OG1 2.84Å; K137-D141 PolarHBondContact O-N 3.45Å; K137-G142 PolarHBondContact O-N 3.39Å; K137-F144 VanDerWaalsContact CA-O 3.32Å; K137-F144 WeakPolarHBondContact CA-O 3.42Å; K137-F144 WeakPolarHBondContact CB-O 3.34Å
138	D	97.6	Very high	96.4	Very high	119 Å²	119	46.9 Å²	46.9	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-44.4	179.7	-69.5	-14.5	0	0	0	111.6	N134 S135 T140 D141	N134-D138 VanDerWaalsContact O-CG 3.31Å; N134-D138 PolarHBondContact O-N 3.24Å; S135-D138 PolarHBondContact O-N 3.46Å; D138-T140 PolarHBondContact O-N 2.97Å; D138-D141 PolarHBondContact O-N 3.12Å; D138-D141 VanDerWaalsContact O-N 3.15Å
139	L	96.5	Very high	95.8	Very high	56 Å²	56	49.3 Å²	49.3	29%	0.293	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-20.5	178.6	-72.3	171.1	0	0	0	113.4	I89 S135 I136	I89-L139 HydrophobicContact CD1-CB 3.92Å; I89-L139 HydrophobicContact CG1-CB 3.95Å; I89-L139 HydrophobicContact CG2-CB 4.32Å; I89-L139 HydrophobicContact CG2-CD1 4.01Å; S135-L139 VanDerWaalsContact O-CB 3.29Å; S135-L139 WeakPolarHBondContact O-CB 3.19Å; S135-L139 WeakPolarHBondContact O-CG 3.3Å; S135-L139 PolarHBondContact O-N 3.49Å; I136-L139 PolarHBondContact O-N 3.23Å
140	T	96.4	Very high	94.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	21.5	177.1	62	0	0	0	0	112.8	I89 I136 K137 D138 G142 H143 F144 A164 Y166	I89-T140 HydrophobicContact CB-CG2 4.4Å; I89-T140 HydrophobicContact CG1-CG2 3.62Å; I136-T140 HydrophobicContact CG2-CG2 4.41Å; I136-T140 WeakPolarHBondContact O-CB 3.47Å; I136-T140 WeakPolarHBondContact O-CG2 3.47Å; I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 3.25Å; K137-T140 CarbonylContact O-C 3.57Å; K137-T140 PolarHBondContact O-N 3.5Å; K137-T140 PolarHBondContact O-OG1 2.84Å; D138-T140 PolarHBondContact O-N 2.97Å; T140-G142 PolarHBondContact O-N 3.2Å; T140-G142 VanDerWaalsContact O-N 3.07Å; T140-H143 WeakPolarHBondContact O-CB 3.33Å; T140-H143 PolarHBondContact O-CD2 3.37Å; T140-H143 VanDerWaalsContact O-CD2 3.25Å; T140-H143 PolarHBondContact O-N 2.9Å; T140-F144 HydrophobicContact CG2-CD2 3.79Å; T140-F144 HydrophobicContact CG2-CE2 4.26Å; T140-F144 PolarHBondContact OG1-N 3.28Å; T140-A164 HydrophobicContact CG2-CB 4.07Å; T140-Y166 WeakPolarHBondContact O-CE1 3.44Å
141	D	96.3	Very high	94.1	Very high	95 Å²	95	61 Å²	61	51%	0.508	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.2	174.8	-55.6	-38.1	0	0	0	112.7	K87 K137 D138 Y166	K87-D141 WeakPolarHBondContact CE-OD2 3.4Å; K87-D141 IonicContact NZ-OD2 2.78Å; K137-D141 PolarHBondContact O-N 3.45Å; D138-D141 PolarHBondContact O-N 3.12Å; D138-D141 VanDerWaalsContact O-N 3.15Å; D141-Y166 PolarHBondContact OD2-OH 3.15Å
142	G	96.2	Very high	93.5	Very high	35 Å²	35	57 Å²	57	36%	0.361	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-0	180	0	0	0	0	0	115.6	K137 T140 F144	K137-G142 PolarHBondContact O-N 3.39Å; T140-G142 PolarHBondContact O-N 3.2Å; T140-G142 VanDerWaalsContact O-N 3.07Å; G142-F144 VanDerWaalsContact C-N 3.3Å; G142-F144 PolarHBondContact O-N 3.01Å
143	H	95.3	Very high	93.3	Very high	49 Å²	49	57.3 Å²	57.3	23%	0.227	32%	0.317	C	S	.	.	S	Bend	trans	-68.6	-25.5	-177.6	-77.4	-83.2	0	0	0	114	T140 Y166 R323	T140-H143 WeakPolarHBondContact O-CB 3.33Å; T140-H143 PolarHBondContact O-CD2 3.37Å; T140-H143 VanDerWaalsContact O-CD2 3.25Å; T140-H143 PolarHBondContact O-N 2.9Å; H143-Y166 HydrophobicContact CB-CD1 4.04Å; H143-Y166 HydrophobicContact CB-CE1 4.44Å; H143-Y166 HydrophobicContact CB-CG 4.21Å; H143-Y166 AromaticContact CD2-CD1 3.93Å; H143-Y166 AromaticContact CD2-CD2 3.82Å; H143-Y166 AromaticContact CD2-CE1 3.61Å; H143-Y166 AromaticContact CD2-CE2 3.53Å; H143-Y166 AromaticContact CD2-CZ 3.43Å; H143-Y166 VanDerWaalsContact CD2-CZ 3.43Å; H143-Y166 AromaticContact NE2-CD2 3.93Å; H143-Y166 AromaticContact NE2-CE2 3.51Å; H143-Y166 AromaticContact NE2-CZ 3.8Å; H143-R323 PolarHBondContact ND1-NH1 2.88Å; H143-R323 VanDerWaalsContact ND1-NH1 3.19Å
144	F	95.8	Very high	93.2	Very high	1 Å²	1	60 Å²	60	0%	0.004	33%	0.331	C	S	.	.			trans	-123.2	98.6	174.8	-55.8	-50	0	0	0	110.7	K137 T140 G142 I147 A164 A165 K321 R323	K137-F144 VanDerWaalsContact CA-O 3.32Å; K137-F144 WeakPolarHBondContact CA-O 3.42Å; K137-F144 WeakPolarHBondContact CB-O 3.34Å; T140-F144 HydrophobicContact CG2-CD2 3.79Å; T140-F144 HydrophobicContact CG2-CE2 4.26Å; T140-F144 PolarHBondContact OG1-N 3.28Å; G142-F144 VanDerWaalsContact C-N 3.3Å; G142-F144 PolarHBondContact O-N 3.01Å; F144-I147 HydrophobicContact CB-CD1 4.49Å; F144-A164 HydrophobicContact CD2-CB 3.79Å; F144-A164 HydrophobicContact CE2-CB 3.98Å; F144-A165 WeakPolarHBondContact CZ-O 3.37Å; F144-K321 HydrophobicContact CD1-CD 3.8Å; F144-K321 HydrophobicContact CD1-CG 4.2Å; F144-K321 HydrophobicContact CE1-CD 4.05Å; F144-K321 HydrophobicContact CE1-CG 3.94Å; F144-K321 HydrophobicContact CG-CD 4.38Å; F144-K321 HydrophobicContact CZ-CG 4.34Å; F144-R323 HydrophobicContact CE1-CB 3.94Å; F144-R323 HydrophobicContact CZ-CB 3.94Å
145	E	91.6	Very high	93.1	Very high	130 Å²	130	59.8 Å²	59.8	61%	0.607	33%	0.33	S	S	*	.	S	Bend	trans	-67.2	-48.9	-176.1	-64.1	-177.4	172.6	0	0	113.2
146	N	92.8	Very high	93	Very high	106 Å²	106	64.1 Å²	64.1	57%	0.567	35%	0.346	S	S	*	.			trans	-131.8	111	177	-65.4	-63.1	0	0	0	108.1	N133	N133-N146 PolarHBondContact ND2-OD1 3.39Å
147	I	95.6	Very high	93	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	35%	0.348	C	S	.	.			trans	-87.8	-30.3	179.7	-163.6	65.6	0	0	0	111.3	I132 N133 I136 F144 V162 A164 I319 K321	I132-I147 HydrophobicContact CG2-CG2 4.24Å; N133-I147 WeakPolarHBondContact OD1-CG2 3.47Å; N133-I147 PolarHBondContact OD1-N 3.32Å; I136-I147 HydrophobicContact CB-CB 4.44Å; I136-I147 HydrophobicContact CB-CG2 4.01Å; I136-I147 HydrophobicContact CG1-CG2 4.04Å; I136-I147 HydrophobicContact CG2-CB 3.9Å; I136-I147 HydrophobicContact CG2-CG1 4.11Å; I136-I147 HydrophobicContact CG2-CG2 4Å; F144-I147 HydrophobicContact CB-CD1 4.49Å; I147-V162 HydrophobicContact CG1-CG1 3.67Å; I147-V162 HydrophobicContact CG2-CG1 4.17Å; I147-A164 HydrophobicContact CD1-CB 4.16Å; I147-I319 HydrophobicContact CD1-CG2 4.34Å; I147-I319 HydrophobicContact CG1-CG2 4.04Å; I147-K321 HydrophobicContact CD1-CB 3.49Å; I147-K321 VanDerWaalsContact CD1-CB 3.49Å; I147-K321 HydrophobicContact CD1-CD 3.79Å; I147-K321 HydrophobicContact CD1-CG 4.22Å
148	L	94.5	Very high	93	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.042	34%	0.341	C	S	.	.	S	Bend	trans	-90.6	120.2	176.2	-54.8	-177.3	0	0	0	109.2	K129 I132 N133 S152 V153 L160 V162 I319	K129-L148 HydrophobicContact CB-CD1 4.24Å; K129-L148 HydrophobicContact CG-CD1 4.04Å; I132-L148 HydrophobicContact CB-CD1 3.88Å; I132-L148 HydrophobicContact CD1-CD1 4.21Å; I132-L148 HydrophobicContact CG2-CD1 3.77Å; I132-L148 HydrophobicContact CG2-CD2 4.26Å; I132-L148 HydrophobicContact CG2-CG 4.02Å; N133-L148 PolarHBondContact OD1-N 3.24Å; L148-S152 WeakPolarHBondContact CA-OG 3.22Å; L148-V153 HydrophobicContact CD1-CG2 4.12Å; L148-V153 HydrophobicContact CD2-CG1 4.31Å; L148-L160 HydrophobicContact CD2-CD2 4.1Å; L148-V162 HydrophobicContact CD2-CG2 4.39Å; L148-I319 HydrophobicContact CD2-CD1 3.33Å
149	A	86.4	Confident	93	Very high	55 Å²	55	57.1 Å²	57.1	46%	0.455	31%	0.311	S	S	.	.			trans	-76.9	160.4	165.7	0	0	0	0	0	110.5	N151 S152	A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.35Å; A149-N151 VanDerWaalsContact O-N 3.11Å; A149-S152 PolarHBondContact N-OG 3.38Å; A149-S152 WeakPolarHBondContact O-CB 3.3Å; A149-S152 PolarHBondContact O-N 3.19Å; A149-S152 PolarHBondContact O-OG 2.98Å
150	D	75.9	Confident	93.1	Very high	134 Å²	134	54.5 Å²	54.5	72%	0.717	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.6	-172.2	-67	-26.8	0	0	0	113.9	K129	K129-D150 PolarHBondContact NZ-O 2.69Å
151	N	81.7	Confident	93.2	Very high	164 Å²	164	54.5 Å²	54.5	88%	0.877	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	9.4	-179.5	-61.9	-29.2	0	0	0	113.9	A149 V153	A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.35Å; A149-N151 VanDerWaalsContact O-N 3.11Å; N151-V153 VanDerWaalsContact C-N 3.33Å
152	S	84.8	Confident	93.3	Very high	16 Å²	16	50 Å²	50	11%	0.112	27%	0.273	C	S	.	.	S	Bend	trans	-75.7	-21.8	-176.8	64.3	0	0	0	0	113.5	L148 A149 N317	L148-S152 WeakPolarHBondContact CA-OG 3.22Å; A149-S152 PolarHBondContact N-OG 3.38Å; A149-S152 WeakPolarHBondContact O-CB 3.3Å; A149-S152 PolarHBondContact O-N 3.19Å; A149-S152 PolarHBondContact O-OG 2.98Å; S152-N317 PolarHBondContact O-ND2 3.46Å
153	V	93.6	Very high	93.5	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.256	C	S	.	.			trans	-144.6	147.6	179.1	-64.8	0	0	0	0	109.8	L125 K129 L148 N151 L160	L125-V153 HydrophobicContact CD1-CG2 4.36Å; K129-V153 HydrophobicContact CD-CG2 3.81Å; K129-V153 HydrophobicContact CG-CG2 3.61Å; L148-V153 HydrophobicContact CD1-CG2 4.12Å; L148-V153 HydrophobicContact CD2-CG1 4.31Å; N151-V153 VanDerWaalsContact C-N 3.33Å; V153-L160 HydrophobicContact CG1-CD1 3.86Å; V153-L160 HydrophobicContact CG1-CD2 3.65Å; V153-L160 HydrophobicContact CG1-CG 4.32Å
154	N	95.4	Very high	93.6	Very high	74 Å²	74	46 Å²	46	40%	0.396	25%	0.245	S	C	.	.			trans	-136.7	-179.7	175.5	62.5	30.7	0	0	0	111.3	Q156 T157	N154-Q156 PolarHBondContact O-N 3.47Å; N154-Q156 WeakPolarHBondContact OD1-CA 3.37Å; N154-Q156 WeakPolarHBondContact OD1-CB 3.37Å; N154-Q156 PolarHBondContact OD1-N 3.12Å; N154-T157 PolarHBondContact N-OG1 3.4Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.49Å; N154-T157 PolarHBondContact O-N 2.9Å; N154-T157 VanDerWaalsContact O-N 3.09Å; N154-T157 PolarHBondContact O-OG1 2.87Å; N154-T157 PolarHBondContact OD1-N 2.93Å
155	D	95.6	Very high	93.7	Very high	88 Å²	88	46 Å²	46	47%	0.471	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.4	179.5	60.9	-18.7	0	0	0	114.2	L125	L125-D155 HydrophobicContact CD2-CB 4.49Å
156	Q	95.9	Very high	94.1	Very high	128 Å²	128	40 Å²	40	60%	0.598	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.3	174.1	-57.9	179.9	-24.1	0	0	112.9	N154 K158	N154-Q156 PolarHBondContact O-N 3.47Å; N154-Q156 WeakPolarHBondContact OD1-CA 3.37Å; N154-Q156 WeakPolarHBondContact OD1-CB 3.37Å; N154-Q156 PolarHBondContact OD1-N 3.12Å; Q156-K158 PolarHBondContact O-N 3.33Å
157	T	97.4	Very high	94.4	Very high	5 Å²	5	35 Å²	35	3%	0.031	19%	0.19	C	C	.	.			trans	-55.5	124.9	-179	-52.2	0	0	0	0	111.5	F121 N154 L160	F121-T157 HydrophobicContact CD1-CG2 4.35Å; F121-T157 HydrophobicContact CD2-CG2 3.77Å; F121-T157 HydrophobicContact CE1-CG2 4.34Å; F121-T157 HydrophobicContact CE2-CG2 3.75Å; F121-T157 HydrophobicContact CG-CG2 4.09Å; F121-T157 HydrophobicContact CZ-CG2 4.06Å; N154-T157 PolarHBondContact N-OG1 3.4Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.49Å; N154-T157 PolarHBondContact O-N 2.9Å; N154-T157 VanDerWaalsContact O-N 3.09Å; N154-T157 PolarHBondContact O-OG1 2.87Å; N154-T157 PolarHBondContact OD1-N 2.93Å; T157-L160 HydrophobicContact CG2-CB 4.03Å
158	K	97.6	Very high	94.5	Very high	44 Å²	44	36.6 Å²	36.6	19%	0.191	20%	0.199	C	C	.	.			trans	-102.9	-53.9	178.9	-59.5	-51.2	-178.2	-170.1	0	112.1	D95 L98 Q156 V313 S316	D95-K158 PolarHBondContact N-O 3.42Å; L98-K158 HydrophobicContact CD1-CB 4.19Å; L98-K158 HydrophobicContact CD2-CD 4.47Å; Q156-K158 PolarHBondContact O-N 3.33Å; K158-V313 HydrophobicContact CB-CG1 4.42Å; K158-S316 PolarHBondContact N-OG 3.45Å
159	I	98.5	Very high	94.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.1	179.1	-56	171.9	0	0	0	107.6	L92 Y93 L98 F304 M307 V313 L315 S316	L92-I159 HydrophobicContact CD1-CG2 4.43Å; L92-I159 HydrophobicContact CD2-CG2 3.88Å; L92-I159 HydrophobicContact CG-CG2 4.06Å; Y93-I159 WeakPolarHBondContact O-CA 3.5Å; L98-I159 HydrophobicContact CD1-CG1 4.07Å; I159-F304 HydrophobicContact CD1-CD2 4.39Å; I159-F304 HydrophobicContact CD1-CE1 4.36Å; I159-F304 HydrophobicContact CD1-CE2 4.25Å; I159-F304 HydrophobicContact CD1-CG 4.47Å; I159-F304 HydrophobicContact CD1-CZ 4.21Å; I159-M307 HydrophobicContact CD1-CE 4.35Å; I159-M307 HydrophobicContact CD1-SD 3.81Å; I159-V313 HydrophobicContact CD1-CG1 3.81Å; I159-V313 HydrophobicContact CG1-CG1 4.28Å; I159-L315 HydrophobicContact CB-CD1 4.3Å; I159-L315 HydrophobicContact CG2-CD1 3.8Å; I159-S316 WeakPolarHBondContact O-CB 3.17Å; I159-S316 PolarHBondContact O-N 2.86Å
160	L	98.6	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.2	177.7	172.3	72.6	0	0	0	109.4	L92 Y93 F121 I132 L148 V153 T157 V162 N317 I319	L92-L160 WeakPolarHBondContact CA-O 3.48Å; Y93-L160 HydrophobicContact CD2-CD2 4.13Å; Y93-L160 PolarHBondContact N-O 3.21Å; Y93-L160 PolarHBondContact O-N 2.89Å; F121-L160 HydrophobicContact CE1-CD2 4.27Å; F121-L160 HydrophobicContact CE2-CB 4.26Å; F121-L160 HydrophobicContact CZ-CB 4.01Å; F121-L160 HydrophobicContact CZ-CD2 3.78Å; I132-L160 HydrophobicContact CD1-CD2 4.4Å; L148-L160 HydrophobicContact CD2-CD2 4.1Å; V153-L160 HydrophobicContact CG1-CD1 3.86Å; V153-L160 HydrophobicContact CG1-CD2 3.65Å; V153-L160 HydrophobicContact CG1-CG 4.32Å; T157-L160 HydrophobicContact CG2-CB 4.03Å; L160-V162 HydrophobicContact CD1-CG2 4.35Å; L160-V162 HydrophobicContact CD2-CG2 3.69Å; L160-V162 HydrophobicContact CG-CG2 3.77Å; L160-N317 HydrophobicContact CD1-CB 3.87Å; L160-I319 HydrophobicContact CD1-CD1 4.1Å; L160-I319 HydrophobicContact CD1-CG1 4.38Å
161	V	98.6	Very high	96.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.5	168.9	170.1	0	0	0	0	109	R91 L92 L315 N317 V318 I319	R91-V161 WeakPolarHBondContact O-CA 3.42Å; L92-V161 HydrophobicContact CD1-CG2 4.06Å; L92-V161 HydrophobicContact CG-CG2 4.22Å; V161-L315 HydrophobicContact CB-CD1 4.33Å; V161-L315 HydrophobicContact CG2-CD1 3.7Å; V161-N317 PolarHBondContact N-O 2.97Å; V161-V318 HydrophobicContact CB-CB 4.49Å; V161-V318 HydrophobicContact CB-CG1 4.1Å; V161-V318 HydrophobicContact CB-CG2 4.27Å; V161-V318 HydrophobicContact CG1-CG1 3.94Å; V161-V318 WeakPolarHBondContact O-CA 3.4Å; V161-I319 PolarHBondContact O-N 3.34Å
162	V	98.5	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.9	172.3	-175.8	0	0	0	0	109.3	R91 Y93 I136 I147 L148 L160 I319	R91-V162 PolarHBondContact N-O 3.26Å; R91-V162 PolarHBondContact O-N 3.44Å; Y93-V162 HydrophobicContact CD2-CB 4.39Å; Y93-V162 HydrophobicContact CD2-CG2 3.85Å; Y93-V162 HydrophobicContact CE2-CB 3.98Å; Y93-V162 HydrophobicContact CE2-CG2 3.75Å; I136-V162 HydrophobicContact CD1-CG1 4.27Å; I136-V162 HydrophobicContact CG1-CG1 4.39Å; I147-V162 HydrophobicContact CG1-CG1 3.67Å; I147-V162 HydrophobicContact CG2-CG1 4.17Å; L148-V162 HydrophobicContact CD2-CG2 4.39Å; L160-V162 HydrophobicContact CD1-CG2 4.35Å; L160-V162 HydrophobicContact CD2-CG2 3.69Å; L160-V162 HydrophobicContact CG-CG2 3.77Å; V162-I319 HydrophobicContact CG2-CB 4.46Å; V162-I319 HydrophobicContact CG2-CD1 4.47Å
163	N	98.6	Very high	97.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.1	173.8	-76.7	-43.4	0	0	0	109.1	C34 S38 I89 I319 H320 K321	C34-N163 HydrophobicContact CB-CB 4.13Å; S38-N163 PolarHBondContact OG-ND2 2.66Å; S38-N163 PolarHBondContact OG-OD1 3.09Å; I89-N163 WeakPolarHBondContact O-CA 3.39Å; N163-I319 PolarHBondContact N-O 2.92Å; N163-H320 HydrophobicContact CB-CB 4.36Å; N163-H320 WeakPolarHBondContact CB-ND1 3.35Å; N163-H320 WeakPolarHBondContact O-CA 3.44Å; N163-K321 PolarHBondContact O-N 2.79Å
164	A	98.4	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111	-179.2	0	0	0	0	0	108.7	I89 I136 T140 F144 I147 K321	I89-A164 WeakPolarHBondContact CA-O 2.91Å; I89-A164 HydrophobicContact CB-CB 4.37Å; I89-A164 WeakPolarHBondContact CB-O 3.2Å; I89-A164 PolarHBondContact N-O 2.79Å; I89-A164 PolarHBondContact O-N 2.93Å; I136-A164 HydrophobicContact CG2-CB 3.83Å; T140-A164 HydrophobicContact CG2-CB 4.07Å; F144-A164 HydrophobicContact CD2-CB 3.79Å; F144-A164 HydrophobicContact CE2-CB 3.98Å; I147-A164 HydrophobicContact CD1-CB 4.16Å; A164-K321 WeakPolarHBondContact CA-O 3.41Å
165	A	98.5	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	-175.4	0	0	0	0	0	111.5	K87 L88 F144 K321 V322 R323 F368	K87-A165 CarbonylContact O-C 3.49Å; K87-A165 VanDerWaalsContact O-CA 3.25Å; K87-A165 WeakPolarHBondContact O-CA 3.42Å; L88-A165 HydrophobicContact CD2-CB 3.5Å; F144-A165 WeakPolarHBondContact CZ-O 3.37Å; A165-K321 PolarHBondContact N-O 2.92Å; A165-V322 HydrophobicContact CB-CG1 4.46Å; A165-V322 HydrophobicContact CB-CG2 4.25Å; A165-V322 CarbonylContact O-C 3.56Å; A165-V322 WeakPolarHBondContact O-CA 3.35Å; A165-R323 PolarHBondContact O-N 2.86Å; A165-F368 HydrophobicContact CB-CE1 3.96Å; A165-F368 HydrophobicContact CB-CZ 4.47Å
166	Y	98.6	Very high	98	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.02	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.6	168.7	82.6	-90.9	0	0	0	111.9	L86 K87 T140 D141 H143 V168 R323	L86-Y166 WeakPolarHBondContact CA-O 3.49Å; L86-Y166 WeakPolarHBondContact CD1-O 3.29Å; K87-Y166 HydrophobicContact CB-CD1 3.88Å; K87-Y166 HydrophobicContact CB-CE1 3.5Å; K87-Y166 VanDerWaalsContact CB-CE1 3.5Å; K87-Y166 HydrophobicContact CG-CD1 4.2Å; K87-Y166 HydrophobicContact CG-CE1 3.31Å; K87-Y166 PolarHBondContact N-O 3.29Å; K87-Y166 PolarHBondContact O-N 2.7Å; T140-Y166 WeakPolarHBondContact O-CE1 3.44Å; D141-Y166 PolarHBondContact OD2-OH 3.15Å; H143-Y166 HydrophobicContact CB-CD1 4.04Å; H143-Y166 HydrophobicContact CB-CE1 4.44Å; H143-Y166 HydrophobicContact CB-CG 4.21Å; H143-Y166 AromaticContact CD2-CD1 3.93Å; H143-Y166 AromaticContact CD2-CD2 3.82Å; H143-Y166 AromaticContact CD2-CE1 3.61Å; H143-Y166 AromaticContact CD2-CE2 3.53Å; H143-Y166 AromaticContact CD2-CZ 3.43Å; H143-Y166 VanDerWaalsContact CD2-CZ 3.43Å; H143-Y166 AromaticContact NE2-CD2 3.93Å; H143-Y166 AromaticContact NE2-CE2 3.51Å; H143-Y166 AromaticContact NE2-CZ 3.8Å; Y166-V168 HydrophobicContact CD2-CG2 4.45Å; Y166-R323 CarbonylContact C-O 3.43Å; Y166-R323 WeakPolarHBondContact CA-O 3.27Å
167	F	98.7	Very high	98	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.3	171.6	-178.2	-138.9	0	0	0	111	Y84 S85 L86 F221 L226 R323 L324 E325 I358 F368	Y84-F167 HydrophobicContact CD1-CE2 4.34Å; Y84-F167 HydrophobicContact CG-CE2 4.14Å; S85-F167 WeakPolarHBondContact O-CA 3.49Å; S85-F167 WeakPolarHBondContact O-CD2 3.41Å; L86-F167 HydrophobicContact CB-CD2 3.82Å; L86-F167 HydrophobicContact CB-CE2 4.37Å; L86-F167 HydrophobicContact CD1-CB 3.79Å; L86-F167 HydrophobicContact CD1-CD2 3.97Å; L86-F167 HydrophobicContact CD1-CG 4.03Å; L86-F167 HydrophobicContact CG-CD2 4.41Å; F167-F221 HydrophobicContact CE1-CD1 4Å; F167-F221 HydrophobicContact CE1-CD2 4Å; F167-F221 AromaticContact CE1-CE1 3.7Å; F167-F221 HydrophobicContact CE1-CE1 3.7Å; F167-F221 AromaticContact CE1-CE2 3.71Å; F167-F221 HydrophobicContact CE1-CE2 3.71Å; F167-F221 HydrophobicContact CE1-CG 4.15Å; F167-F221 AromaticContact CE1-CZ 3.55Å; F167-F221 HydrophobicContact CE1-CZ 3.55Å; F167-F221 AromaticContact CZ-CD1 3.81Å; F167-F221 HydrophobicContact CZ-CD1 3.81Å; F167-F221 HydrophobicContact CZ-CD2 4.13Å; F167-F221 AromaticContact CZ-CE1 3.97Å; F167-F221 HydrophobicContact CZ-CE1 3.97Å; F167-F221 HydrophobicContact CZ-CE2 4.28Å; F167-F221 AromaticContact CZ-CG 3.89Å; F167-F221 HydrophobicContact CZ-CG 3.89Å; F167-F221 HydrophobicContact CZ-CZ 4.21Å; F167-L226 HydrophobicContact CE1-CD1 4.21Å; F167-L226 HydrophobicContact CE2-CD1 4.37Å; F167-L226 HydrophobicContact CZ-CD1 4Å; F167-R323 PolarHBondContact N-O 2.76Å; F167-L324 HydrophobicContact CB-CD1 4.05Å; F167-L324 HydrophobicContact CD1-CD1 3.64Å; F167-L324 HydrophobicContact CG-CD1 4.26Å; F167-E325 PolarHBondContact O-N 2.53Å; F167-I358 HydrophobicContact CD1-CD1 3.87Å; F167-I358 HydrophobicContact CE1-CD1 4.09Å; F167-I358 HydrophobicContact CE1-CG2 4.48Å; F167-F368 HydrophobicContact CB-CD2 4.43Å; F167-F368 HydrophobicContact CB-CE2 3.48Å; F167-F368 VanDerWaalsContact CB-CE2 3.48Å; F167-F368 HydrophobicContact CB-CZ 3.63Å; F167-F368 HydrophobicContact CD1-CD2 4.42Å; F167-F368 HydrophobicContact CD1-CE2 4.05Å; F167-F368 HydrophobicContact CG-CE2 4.03Å
168	V	98.6	Very high	98.1	Very high	34 Å²	34	32.7 Å²	32.7	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.1	165.4	-173.4	0	0	0	0	107.4	S85 Y166 K170 E325	S85-V168 PolarHBondContact O-N 3.03Å; Y166-V168 HydrophobicContact CD2-CG2 4.45Å; V168-K170 PolarHBondContact O-N 3.35Å; V168-E325 HydrophobicContact CG1-CB 4.35Å; V168-E325 HydrophobicContact CG1-CG 4.34Å; V168-E325 HydrophobicContact CG2-CB 4.26Å
169	G	97.2	Very high	98.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.181	C	C	.	.			trans	-67.5	129	-172.4	0	0	0	0	0	112.2	E325	G169-E325 PolarHBondContact N-O 3.1Å
170	K	98	Very high	98.1	Very high	70 Å²	70	36.3 Å²	36.3	30%	0.304	19%	0.188	S	C	.	.			trans	-119.7	110.2	171.2	-170	166.5	-174.9	112.3	0	110	V168 F221 Q222 D329	V168-K170 PolarHBondContact O-N 3.35Å; K170-F221 CarbonylContact O-C 3.46Å; K170-F221 WeakPolarHBondContact O-CA 3.48Å; K170-F221 WeakPolarHBondContact O-CB 3.26Å; K170-Q222 VanDerWaalsContact CD-OE1 3.23Å; K170-Q222 PolarHBondContact O-N 2.9Å; K170-D329 WeakPolarHBondContact CA-O 3.43Å; K170-D329 WeakPolarHBondContact CD-OD2 3.27Å; K170-D329 VanDerWaalsContact NZ-CG 3.27Å; K170-D329 IonicContact NZ-OD1 3.47Å; K170-D329 PolarHBondContact NZ-OD1 2.76Å; K170-D329 IonicContact NZ-OD2 2.6Å; K170-D329 PolarHBondContact NZ-OD2 3.49Å
171	W	98.4	Very high	98.1	Very high	6 Å²	6	41.8 Å²	41.8	2%	0.023	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-67.9	155.2	-171.6	-61	117.1	0	0	0	113.1	K173 F175 L219 F221 M228 I273 I326 T327 D329 G330 G331	W171-K173 VanDerWaalsContact C-N 3.26Å; W171-K173 VanDerWaalsContact CB-O 3.23Å; W171-K173 WeakPolarHBondContact CB-O 3.34Å; W171-F175 AromaticContact CD1-CD2 3.7Å; W171-F175 AromaticContact CD1-CE2 3.81Å; W171-F175 HydrophobicContact CD2-CE2 4.43Å; W171-F175 HydrophobicContact CG-CD2 4.46Å; W171-F175 HydrophobicContact CG-CE2 4.28Å; W171-F175 AromaticContact NE1-CD2 3.77Å; W171-F175 AromaticContact NE1-CE2 3.62Å; W171-L219 HydrophobicContact CE3-CB 4.38Å; W171-L219 HydrophobicContact CH2-CB 4.33Å; W171-L219 HydrophobicContact CH2-CD1 4.39Å; W171-L219 HydrophobicContact CZ3-CB 3.77Å; W171-F221 HydrophobicContact CD2-CD1 4.31Å; W171-F221 HydrophobicContact CD2-CE1 4.13Å; W171-F221 AromaticContact CE3-CD1 3.63Å; W171-F221 HydrophobicContact CE3-CD1 3.63Å; W171-F221 AromaticContact CE3-CE1 3.5Å; W171-F221 HydrophobicContact CE3-CE1 3.5Å; W171-F221 HydrophobicContact CE3-CG 4.38Å; W171-F221 HydrophobicContact CE3-CZ 4.16Å; W171-F221 AromaticContact CH2-CE1 3.66Å; W171-F221 HydrophobicContact CH2-CE1 3.66Å; W171-F221 AromaticContact CH2-CZ 3.76Å; W171-F221 HydrophobicContact CH2-CZ 3.76Å; W171-F221 HydrophobicContact CZ2-CE1 4.27Å; W171-F221 AromaticContact CZ3-CD1 3.78Å; W171-F221 HydrophobicContact CZ3-CD1 3.78Å; W171-F221 AromaticContact CZ3-CE1 3.22Å; W171-F221 HydrophobicContact CZ3-CE1 3.22Å; W171-F221 HydrophobicContact CZ3-CE2 4.14Å; W171-F221 HydrophobicContact CZ3-CG 4.44Å; W171-F221 AromaticContact CZ3-CZ 3.43Å; W171-F221 HydrophobicContact CZ3-CZ 3.43Å; W171-F221 VanDerWaalsContact CZ3-CZ 3.43Å; W171-M228 HydrophobicContact CH2-CB 4.32Å; W171-M228 HydrophobicContact CH2-CE 4.44Å; W171-M228 HydrophobicContact CH2-SD 3.95Å; W171-M228 HydrophobicContact CZ3-CB 4.23Å; W171-I273 HydrophobicContact CZ2-CD1 3.91Å; W171-I326 HydrophobicContact CH2-CD1 4.12Å; W171-I326 HydrophobicContact CH2-CG2 4.49Å; W171-I326 HydrophobicContact CZ2-CD1 4.03Å; W171-I326 HydrophobicContact CZ2-CG2 3.59Å; W171-T327 PolarHBondContact NE1-O 3.15Å; W171-D329 VanDerWaalsContact CD1-O 3.23Å; W171-D329 PolarHBondContact N-O 2.85Å; W171-G330 CarbonylContact O-C 3.6Å; W171-G330 WeakPolarHBondContact O-CA 3.45Å; W171-G331 PolarHBondContact O-N 3.09Å
172	M	97.4	Very high	98.1	Very high	69 Å²	69	48.3 Å²	48.3	34%	0.34	24%	0.242	S	C	.	.	S	Bend	trans	-66	-35	164.6	-178	-178.3	173.4	0	0	111.2	P220 K224	M172-P220 HydrophobicContact CB-CB 4.16Å; M172-P220 VanDerWaalsContact CB-O 3.27Å; M172-P220 WeakPolarHBondContact CB-O 3.38Å; M172-P220 PolarHBondContact N-O 2.94Å; M172-P220 HydrophobicContact SD-CB 4.28Å; M172-K224 HydrophobicContact SD-CD 4.16Å; M172-K224 WeakPolarHBondContact SD-CE 3.21Å; M172-K224 HydrophobicContact SD-CG 3.72Å
173	K	96.6	Very high	98.1	Very high	35 Å²	35	49.8 Å²	49.8	15%	0.152	25%	0.252	C	S	.	.	S	Bend	trans	-124.9	111.3	178.3	-50.9	-173.7	174.9	-179.2	0	107.9	W171 M200 A202 T203 F204	W171-K173 VanDerWaalsContact C-N 3.26Å; W171-K173 VanDerWaalsContact CB-O 3.23Å; W171-K173 WeakPolarHBondContact CB-O 3.34Å; K173-M200 HydrophobicContact CB-CE 3.99Å; K173-A202 HydrophobicContact CD-CB 4.05Å; K173-T203 PolarHBondContact NZ-O 2.88Å; K173-F204 HydrophobicContact CD-CE1 4.19Å; K173-F204 HydrophobicContact CD-CZ 4.16Å
174	K	97.4	Very high	98.1	Very high	95 Å²	95	53.6 Å²	53.6	41%	0.413	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66	149.9	-179.4	74.2	-172	-168.4	-170.6	0	112.1	E328 G331 D332	K174-E328 WeakPolarHBondContact CA-O 3.43Å; K174-E328 WeakPolarHBondContact CB-O 3.29Å; K174-G331 PolarHBondContact N-O 2.85Å; K174-D332 WeakPolarHBondContact CE-OD1 3.19Å; K174-D332 IonicContact NZ-OD1 2.65Å; K174-D332 PolarHBondContact NZ-OD1 2.91Å
175	F	98.1	Very high	98.1	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-82.8	139.2	166.5	-68.3	-100	0	0	0	108.8	W171 E177 M198 M200 L271 I273 E328	W171-F175 AromaticContact CD1-CD2 3.7Å; W171-F175 AromaticContact CD1-CE2 3.81Å; W171-F175 HydrophobicContact CD2-CE2 4.43Å; W171-F175 HydrophobicContact CG-CD2 4.46Å; W171-F175 HydrophobicContact CG-CE2 4.28Å; W171-F175 AromaticContact NE1-CD2 3.77Å; W171-F175 AromaticContact NE1-CE2 3.62Å; F175-E177 PolarHBondContact O-N 3.01Å; F175-M198 HydrophobicContact CB-CB 4.19Å; F175-M198 HydrophobicContact CD1-CB 3.63Å; F175-M198 HydrophobicContact CD2-CE 4.23Å; F175-M198 HydrophobicContact CD2-SD 4.49Å; F175-M198 HydrophobicContact CE1-CB 4.11Å; F175-M198 HydrophobicContact CE2-CE 4.22Å; F175-M198 HydrophobicContact CG-CB 3.88Å; F175-M200 HydrophobicContact CD1-CB 3.88Å; F175-M200 HydrophobicContact CD1-CG 3.75Å; F175-M200 HydrophobicContact CD1-SD 3.89Å; F175-M200 HydrophobicContact CD2-SD 4.36Å; F175-M200 HydrophobicContact CE1-CB 4.18Å; F175-M200 HydrophobicContact CE1-CG 3.55Å; F175-M200 HydrophobicContact CE1-SD 3.7Å; F175-M200 HydrophobicContact CE2-SD 4.16Å; F175-M200 HydrophobicContact CG-SD 4.22Å; F175-M200 HydrophobicContact CZ-CG 4.24Å; F175-M200 HydrophobicContact CZ-SD 3.83Å; F175-L271 HydrophobicContact CE1-CD2 4.08Å; F175-L271 HydrophobicContact CE1-CG 4.27Å; F175-L271 HydrophobicContact CZ-CD2 3.71Å; F175-L271 HydrophobicContact CZ-CG 4.3Å; F175-I273 HydrophobicContact CE1-CD1 4.38Å; F175-I273 HydrophobicContact CE1-CG1 4.02Å; F175-I273 HydrophobicContact CE2-CD1 3.83Å; F175-I273 HydrophobicContact CE2-CG1 4.31Å; F175-I273 HydrophobicContact CZ-CD1 3.5Å; F175-I273 VanDerWaalsContact CZ-CD1 3.5Å; F175-I273 HydrophobicContact CZ-CG1 3.63Å; F175-E328 HydrophobicContact CB-CB 3.97Å; F175-E328 HydrophobicContact CB-CG 4.04Å; F175-E328 PolarHBondContact N-O 3.32Å
176	P	97.9	Very high	98.1	Very high	56 Å²	56	56.6 Å²	56.6	36%	0.364	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-69.9	120.7	170.8	-13.3	28.3	0	0	0	109.7	S178 E179	P176-S178 PolarHBondContact O-N 3.44Å; P176-S178 VanDerWaalsContact O-N 3.16Å; P176-E179 HydrophobicContact CB-CB 4.31Å; P176-E179 HydrophobicContact CB-CG 3.94Å; P176-E179 HydrophobicContact CG-CG 4.15Å; P176-E179 WeakPolarHBondContact O-CB 3.35Å; P176-E179 PolarHBondContact O-N 3.36Å
177	E	97.7	Very high	98.1	Very high	154 Å²	154	57.5 Å²	57.5	72%	0.72	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-58.2	-30.7	-180	-67.8	-178.6	-170.1	0	0	113	F175 E179 T180 E328	F175-E177 PolarHBondContact O-N 3.01Å; E177-E179 PolarHBondContact O-N 2.83Å; E177-T180 PolarHBondContact O-N 3.21Å; E177-T180 VanDerWaalsContact O-N 3.1Å; E177-E328 HydrophobicContact CG-CB 4.01Å; E177-E328 HydrophobicContact CG-CG 4.08Å
178	S	98	Very high	97.9	Very high	105 Å²	105	59 Å²	59	73%	0.734	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.5	174.9	59.5	0	0	0	0	113.9	P176	P176-S178 PolarHBondContact O-N 3.44Å; P176-S178 VanDerWaalsContact O-N 3.16Å
179	E	98.4	Very high	97.7	Very high	99 Å²	99	61.5 Å²	61.5	46%	0.463	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-97.1	-5.5	177.6	-62.6	-62.2	145.8	0	0	112.2	P176 E177 N199	P176-E179 HydrophobicContact CB-CB 4.31Å; P176-E179 HydrophobicContact CB-CG 3.94Å; P176-E179 HydrophobicContact CG-CG 4.15Å; P176-E179 WeakPolarHBondContact O-CB 3.35Å; P176-E179 PolarHBondContact O-N 3.36Å; E177-E179 PolarHBondContact O-N 2.83Å; E179-N199 HydrophobicContact CB-CB 4.23Å; E179-N199 PolarHBondContact O-ND2 2.96Å
180	T	98.7	Very high	97.6	Very high	24 Å²	24	67 Å²	67	15%	0.147	34%	0.344	C	S	.	.			trans	-75	128.6	169.8	-62.1	0	0	0	0	109.6	E177 Q196 M197 M198 E328	E177-T180 PolarHBondContact O-N 3.21Å; E177-T180 VanDerWaalsContact O-N 3.1Å; T180-Q196 HydrophobicContact CG2-CB 4.07Å; T180-M197 WeakPolarHBondContact CA-O 3.5Å; T180-M198 HydrophobicContact CG2-CG 4.36Å; T180-E328 WeakPolarHBondContact CB-OE1 3.45Å; T180-E328 WeakPolarHBondContact CG2-OE1 3.26Å; T180-E328 WeakPolarHBondContact OG1-CG 3.36Å; T180-E328 PolarHBondContact OG1-OE1 2.63Å
181	K	98.5	Very high	97.6	Very high	114 Å²	114	67.9 Å²	67.9	50%	0.496	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.1	-178.8	59	-172.3	175.7	-168.1	0	111.4	C183 M197	K181-C183 PolarHBondContact O-N 3.46Å; K181-M197 PolarHBondContact N-O 2.93Å; K181-M197 VanDerWaalsContact N-O 3.08Å; K181-M197 PolarHBondContact O-N 3.3Å
182	E	98.7	Very high	97.5	Very high	138 Å²	138	71.4 Å²	71.4	65%	0.645	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.8	172.5	-167	171.2	94.9	0	0	110.3	P194 V195	E182-P194 HydrophobicContact CG-CB 3.96Å; E182-V195 CarbonylContact C-O 3.53Å; E182-V195 WeakPolarHBondContact CA-O 3.23Å
183	C	98.4	Very high	97.6	Very high	31 Å²	31	72.8 Å²	72.8	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.7	179.4	-71.2	0	0	0	0	110.3	K181 F185 V195 M197	K181-C183 PolarHBondContact O-N 3.46Å; C183-F185 PolarHBondContact O-N 3.29Å; C183-V195 PolarHBondContact N-O 3.48Å; C183-V195 PolarHBondContact O-N 3.16Å; C183-M197 HydrophobicContact CB-CB 3.8Å; C183-M197 HydrophobicContact CB-CG 4.48Å
184	P	98.5	Very high	97.7	Very high	81 Å²	81	75.3 Å²	75.3	53%	0.526	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.5	169.7	29.2	-32.6	0	0	0	110.6	T192	P184-T192 HydrophobicContact CB-CG2 4.06Å
185	F	98.8	Very high	97.8	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.5	165.1	-172.7	-85.9	0	0	0	108.8	C183 V187 T192 K193 V195 P274 A350 D351 H352 P353 F354 F372 C373 P375	C183-F185 PolarHBondContact O-N 3.29Å; F185-V187 HydrophobicContact CD1-CG1 4.13Å; F185-V187 PolarHBondContact O-N 2.9Å; F185-T192 CarbonylContact O-C 3.6Å; F185-T192 WeakPolarHBondContact O-CA 3.5Å; F185-K193 WeakPolarHBondContact CB-O 3.02Å; F185-K193 PolarHBondContact N-O 3.16Å; F185-K193 PolarHBondContact O-N 3.04Å; F185-V195 HydrophobicContact CB-CB 4.19Å; F185-V195 HydrophobicContact CB-CG1 3.77Å; F185-V195 HydrophobicContact CD2-CG1 4.38Å; F185-P274 HydrophobicContact CE2-CG 4.4Å; F185-A350 WeakPolarHBondContact CE2-O 3.38Å; F185-D351 CarbonylContact C-O 3.56Å; F185-D351 WeakPolarHBondContact CA-O 3.37Å; F185-D351 VanDerWaalsContact CD2-C 3.48Å; F185-H352 VanDerWaalsContact CZ-O 3.28Å; F185-H352 WeakPolarHBondContact CZ-O 3.47Å; F185-P353 HydrophobicContact CE1-CG 4.27Å; F185-F354 HydrophobicContact CE2-CE1 4.23Å; F185-F372 HydrophobicContact CD2-CE1 4.07Å; F185-F372 HydrophobicContact CE1-CD1 4.36Å; F185-F372 HydrophobicContact CE1-CE1 4.22Å; F185-F372 AromaticContact CE2-CD1 3.75Å; F185-F372 HydrophobicContact CE2-CD1 3.75Å; F185-F372 AromaticContact CE2-CE1 3.57Å; F185-F372 HydrophobicContact CE2-CE1 3.57Å; F185-F372 AromaticContact CZ-CD1 3.55Å; F185-F372 HydrophobicContact CZ-CD1 3.55Å; F185-F372 AromaticContact CZ-CE1 3.65Å; F185-F372 HydrophobicContact CZ-CE1 3.65Å; F185-C373 WeakPolarHBondContact CE1-O 3.06Å; F185-P375 HydrophobicContact CB-CG 4.45Å
186	R	98.3	Very high	97.8	Very high	63 Å²	63	74.7 Å²	74.7	24%	0.238	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	119.6	175.6	-50.3	-176.1	-64.5	167.9	6.3	108.6	D191 T192 D235 D351 H352 P353	R186-D191 CarbonylContact C-O 3.59Å; R186-D191 WeakPolarHBondContact CA-O 3.14Å; R186-T192 HydrophobicContact CB-CG2 4.5Å; R186-T192 HydrophobicContact CG-CG2 4.11Å; R186-D235 IonicContact CZ-OD1 2.76Å; R186-D235 IonicContact NH1-OD1 2.86Å; R186-D235 PolarHBondContact NH1-OD1 3.39Å; R186-D235 IonicContact NH2-OD1 3.26Å; R186-D235 PolarHBondContact NH2-OD1 2.94Å; R186-D351 PolarHBondContact N-O 3.28Å; R186-D351 IonicContact NE-OD1 3.49Å; R186-H352 HydrophobicContact CB-CB 3.98Å; R186-H352 PolarHBondContact NH2-CE1 3.08Å; R186-H352 VanDerWaalsContact NH2-CG 3.32Å; R186-H352 PolarHBondContact NH2-ND1 3.37Å; R186-H352 VanDerWaalsContact NH2-ND1 3.1Å; R186-H352 WeakPolarHBondContact O-CA 3.45Å; R186-P353 VanDerWaalsContact O-CD 3.31Å; R186-P353 WeakPolarHBondContact O-CD 3.4Å
187	V	97.2	Very high	97.8	Very high	24 Å²	24	72.1 Å²	72.1	15%	0.145	38%	0.38	C	S	.	.	S	Bend	trans	-90.6	-19.1	175.7	-63	0	0	0	0	112	F185 D191 K193	F185-V187 HydrophobicContact CD1-CG1 4.13Å; F185-V187 PolarHBondContact O-N 2.9Å; V187-D191 HydrophobicContact CG2-CB 3.68Å; V187-D191 PolarHBondContact N-O 3.01Å; V187-K193 HydrophobicContact CG1-CB 4.46Å; V187-K193 HydrophobicContact CG1-CD 4.1Å; V187-K193 HydrophobicContact CG1-CG 4.11Å
188	N	95.3	Very high	97.9	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.171	35%	0.346	C	S	.	.	S	Bend	trans	-155.1	-164.1	172.9	61.5	43.8	0	0	0	108.4	T190 D191 S240	N188-T190 VanDerWaalsContact C-N 3.28Å; N188-T190 PolarHBondContact O-N 2.88Å; N188-T190 PolarHBondContact OD1-N 2.9Å; N188-T190 PolarHBondContact OD1-OG1 3.04Å; N188-D191 PolarHBondContact ND2-OD2 3.22Å; N188-D191 WeakPolarHBondContact OD1-CB 3.4Å; N188-D191 PolarHBondContact OD1-N 2.93Å; N188-S240 WeakPolarHBondContact CA-O 3.3Å; N188-S240 WeakPolarHBondContact CB-O 3.41Å
189	K	94.6	Very high	97.9	Very high	88 Å²	88	60.8 Å²	60.8	38%	0.383	32%	0.316	S	S	.	.	S	Bend	trans	-59.1	-31.9	-179.7	-75.3	176.8	174.8	167.4	0	115	V236 E237 D238 E239	K189-V236 WeakPolarHBondContact CE-O 3.32Å; K189-V236 HydrophobicContact CG-CG1 4.02Å; K189-V236 WeakPolarHBondContact CG-O 3.4Å; K189-E237 WeakPolarHBondContact CE-O 3.48Å; K189-E237 PolarHBondContact NZ-O 3.26Å; K189-D238 WeakPolarHBondContact CE-O 3.31Å; K189-E239 IonicContact NZ-OE1 3.68Å; K189-E239 PolarHBondContact NZ-OE1 2.95Å
190	T	95	Very high	97.9	Very high	116 Å²	116	57.3 Å²	57.3	71%	0.712	30%	0.301	S	S	*	.	S	Bend	trans	-118.8	-37.6	-168.5	54.7	0	0	0	0	113.2	N188	N188-T190 VanDerWaalsContact C-N 3.28Å; N188-T190 PolarHBondContact O-N 2.88Å; N188-T190 PolarHBondContact OD1-N 2.9Å; N188-T190 PolarHBondContact OD1-OG1 3.04Å
191	D	97.1	Very high	97.8	Very high	89 Å²	89	60.9 Å²	60.9	48%	0.476	32%	0.316	S	S	.	.			trans	-90.6	142.6	-170.1	-56.9	-28.8	0	0	0	111	R186 V187 N188	R186-D191 CarbonylContact C-O 3.59Å; R186-D191 WeakPolarHBondContact CA-O 3.14Å; V187-D191 HydrophobicContact CG2-CB 3.68Å; V187-D191 PolarHBondContact N-O 3.01Å; N188-D191 PolarHBondContact ND2-OD2 3.22Å; N188-D191 WeakPolarHBondContact OD1-CB 3.4Å; N188-D191 PolarHBondContact OD1-N 2.93Å
192	T	98.1	Very high	97.5	Very high	80 Å²	80	55.6 Å²	55.6	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.9	177.2	67.9	0	0	0	0	111.2	P184 F185 R186	P184-T192 HydrophobicContact CB-CG2 4.06Å; F185-T192 CarbonylContact O-C 3.6Å; F185-T192 WeakPolarHBondContact O-CA 3.5Å; R186-T192 HydrophobicContact CB-CG2 4.5Å; R186-T192 HydrophobicContact CG-CG2 4.11Å
193	K	98.4	Very high	97.3	Very high	98 Å²	98	50.3 Å²	50.3	43%	0.426	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.8	170.4	-69.2	-175.5	-175	174.2	0	110.1	F185 V187 S374 P375	F185-K193 WeakPolarHBondContact CB-O 3.02Å; F185-K193 PolarHBondContact N-O 3.16Å; F185-K193 PolarHBondContact O-N 3.04Å; V187-K193 HydrophobicContact CG1-CB 4.46Å; V187-K193 HydrophobicContact CG1-CD 4.1Å; V187-K193 HydrophobicContact CG1-CG 4.11Å; K193-S374 WeakPolarHBondContact CD-OG 3.13Å; K193-S374 PolarHBondContact NZ-OG 3.06Å; K193-P375 HydrophobicContact CB-CG 3.75Å; K193-P375 HydrophobicContact CD-CG 4.46Å
194	P	98.6	Very high	97.2	Very high	87 Å²	87	49.5 Å²	49.5	57%	0.565	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.2	177.1	27.5	-33.8	0	0	0	110.8	E182	E182-P194 HydrophobicContact CG-CB 3.96Å
195	V	98.7	Very high	97	Very high	10 Å²	10	47.2 Å²	47.2	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.9	172	73.2	0	0	0	0	110	E182 C183 F185 M197 P274 P375	E182-V195 CarbonylContact C-O 3.53Å; E182-V195 WeakPolarHBondContact CA-O 3.23Å; C183-V195 PolarHBondContact N-O 3.48Å; C183-V195 PolarHBondContact O-N 3.16Å; F185-V195 HydrophobicContact CB-CB 4.19Å; F185-V195 HydrophobicContact CB-CG1 3.77Å; F185-V195 HydrophobicContact CD2-CG1 4.38Å; V195-M197 HydrophobicContact CG1-CE 3.77Å; V195-M197 PolarHBondContact O-N 3.47Å; V195-P274 HydrophobicContact CG1-CB 4.32Å; V195-P274 HydrophobicContact CG2-CB 3.62Å; V195-P375 HydrophobicContact CB-CB 3.98Å; V195-P375 HydrophobicContact CB-CG 4.17Å; V195-P375 HydrophobicContact CG2-CB 3.79Å; V195-P375 HydrophobicContact CG2-CG 4.48Å
196	Q	98.8	Very high	96.9	Very high	79 Å²	79	47.6 Å²	47.6	37%	0.369	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	109.6	167.5	-67.2	-60.6	-42.2	0	0	108.8	T180 K275	T180-Q196 HydrophobicContact CG2-CB 4.07Å; Q196-K275 HydrophobicContact CB-CB 4.06Å; Q196-K275 HydrophobicContact CB-CD 4.44Å; Q196-K275 WeakPolarHBondContact O-CB 3.18Å; Q196-K275 PolarHBondContact O-N 3.23Å
197	M	98.8	Very high	96.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.7	-179	-167.3	64.8	70.1	0	0	109.5	T180 K181 C183 V195 N199 P274 D351	T180-M197 WeakPolarHBondContact CA-O 3.5Å; K181-M197 PolarHBondContact N-O 2.93Å; K181-M197 VanDerWaalsContact N-O 3.08Å; K181-M197 PolarHBondContact O-N 3.3Å; C183-M197 HydrophobicContact CB-CB 3.8Å; C183-M197 HydrophobicContact CB-CG 4.48Å; V195-M197 HydrophobicContact CG1-CE 3.77Å; V195-M197 PolarHBondContact O-N 3.47Å; M197-N199 PolarHBondContact O-ND2 3.17Å; M197-P274 VanDerWaalsContact SD-N 3.41Å; M197-D351 HydrophobicContact CE-CB 3.91Å
198	M	98.8	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.5	175.5	-51.7	-175.9	-60.8	0	0	108.9	F175 T180 S272 I273 K275 I326 T327 E328	F175-M198 HydrophobicContact CB-CB 4.19Å; F175-M198 HydrophobicContact CD1-CB 3.63Å; F175-M198 HydrophobicContact CD2-CE 4.23Å; F175-M198 HydrophobicContact CD2-SD 4.49Å; F175-M198 HydrophobicContact CE1-CB 4.11Å; F175-M198 HydrophobicContact CE2-CE 4.22Å; F175-M198 HydrophobicContact CG-CB 3.88Å; T180-M198 HydrophobicContact CG2-CG 4.36Å; M198-S272 VanDerWaalsContact O-CA 3.29Å; M198-S272 WeakPolarHBondContact O-CA 3.33Å; M198-I273 HydrophobicContact CE-CD1 3.62Å; M198-I273 HydrophobicContact CE-CG1 3.59Å; M198-I273 PolarHBondContact N-O 3.44Å; M198-I273 PolarHBondContact O-N 3.38Å; M198-K275 HydrophobicContact CG-CB 3.84Å; M198-K275 HydrophobicContact SD-CB 3.9Å; M198-K275 HydrophobicContact SD-CG 4.39Å; M198-I326 HydrophobicContact CE-CG2 3.78Å; M198-T327 VanDerWaalsContact SD-O 3.38Å; M198-E328 HydrophobicContact CG-CG 4.06Å; M198-E328 HydrophobicContact SD-CB 4.34Å; M198-E328 HydrophobicContact SD-CG 3.71Å; M198-E328 PolarHBondContact SD-N 2.98Å; M198-E328 VanDerWaalsContact SD-N 3.38Å
199	N	98.6	Very high	96.7	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.112	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.2	-175.1	-58.3	-81.9	0	0	0	111.4	E179 M197 L271 S272	E179-N199 HydrophobicContact CB-CB 4.23Å; E179-N199 PolarHBondContact O-ND2 2.96Å; M197-N199 PolarHBondContact O-ND2 3.17Å; N199-L271 WeakPolarHBondContact CA-O 3.34Å; N199-S272 WeakPolarHBondContact OD1-CB 2.86Å; N199-S272 PolarHBondContact OD1-OG 3.39Å
200	M	97.4	Very high	96.6	Very high	27 Å²	27	48.3 Å²	48.3	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167.4	169.5	72.3	-179.4	-49.3	0	0	111.2	K173 F175 A202 F204 L271	K173-M200 HydrophobicContact CB-CE 3.99Å; F175-M200 HydrophobicContact CD1-CB 3.88Å; F175-M200 HydrophobicContact CD1-CG 3.75Å; F175-M200 HydrophobicContact CD1-SD 3.89Å; F175-M200 HydrophobicContact CD2-SD 4.36Å; F175-M200 HydrophobicContact CE1-CB 4.18Å; F175-M200 HydrophobicContact CE1-CG 3.55Å; F175-M200 HydrophobicContact CE1-SD 3.7Å; F175-M200 HydrophobicContact CE2-SD 4.16Å; F175-M200 HydrophobicContact CG-SD 4.22Å; F175-M200 HydrophobicContact CZ-CG 4.24Å; F175-M200 HydrophobicContact CZ-SD 3.83Å; M200-A202 HydrophobicContact CE-CB 3.69Å; M200-F204 HydrophobicContact CE-CZ 4.47Å; M200-F204 HydrophobicContact SD-CE2 4.14Å; M200-F204 HydrophobicContact SD-CZ 3.84Å; M200-L271 HydrophobicContact CG-CB 4.11Å; M200-L271 HydrophobicContact CG-CD2 4.32Å; M200-L271 PolarHBondContact N-O 3.07Å; M200-L271 PolarHBondContact O-N 3.04Å; M200-L271 HydrophobicContact SD-CD2 4.36Å
201	E	96.4	Very high	96.4	Very high	99 Å²	99	46 Å²	46	46%	0.463	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.6	167.5	-165.5	-170.6	161.4	0	0	109.8	K268 V269	E201-K268 HydrophobicContact CG-CD 4.19Å; E201-K268 HydrophobicContact CG-CG 4.34Å; E201-K268 PolarHBondContact O-NZ 2.96Å; E201-K268 WeakPolarHBondContact OE1-CE 3.29Å; E201-V269 VanDerWaalsContact CA-O 3.31Å; E201-V269 WeakPolarHBondContact CA-O 3.28Å
202	A	94.1	Very high	96.3	Very high	2 Å²	2	42 Å²	42	2%	0.017	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	167.1	-177.8	0	0	0	0	0	112.1	K173 M200 F204 V269	K173-A202 HydrophobicContact CD-CB 4.05Å; M200-A202 HydrophobicContact CE-CB 3.69Å; A202-F204 HydrophobicContact CB-CD2 4.44Å; A202-F204 HydrophobicContact CB-CE2 3.74Å; A202-F204 HydrophobicContact CB-CZ 4.18Å; A202-F204 WeakPolarHBondContact O-CD2 2.91Å; A202-V269 PolarHBondContact N-O 2.8Å; A202-V269 VanDerWaalsContact N-O 3.08Å; A202-V269 PolarHBondContact O-N 3.21Å
203	T	94.3	Very high	96.1	Very high	28 Å²	28	40.2 Å²	40.2	17%	0.172	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127	177.6	-51.4	0	0	0	0	111.9	K173 N266 A267 Q343	K173-T203 PolarHBondContact NZ-O 2.88Å; T203-N266 HydrophobicContact CG2-CB 3.89Å; T203-A267 CarbonylContact C-O 3.57Å; T203-A267 WeakPolarHBondContact CA-O 3.48Å; T203-Q343 PolarHBondContact OG1-OE1 2.82Å; T203-Q343 VanDerWaalsContact OG1-OE1 3.12Å
204	F	95.4	Very high	96	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.6	174.4	-65.6	-80.5	0	0	0	110.9	K173 M200 A202 M206 I217 L219 N266 A267 V269 L271	K173-F204 HydrophobicContact CD-CE1 4.19Å; K173-F204 HydrophobicContact CD-CZ 4.16Å; M200-F204 HydrophobicContact CE-CZ 4.47Å; M200-F204 HydrophobicContact SD-CE2 4.14Å; M200-F204 HydrophobicContact SD-CZ 3.84Å; A202-F204 HydrophobicContact CB-CD2 4.44Å; A202-F204 HydrophobicContact CB-CE2 3.74Å; A202-F204 HydrophobicContact CB-CZ 4.18Å; A202-F204 WeakPolarHBondContact O-CD2 2.91Å; F204-M206 PolarHBondContact O-N 3.42Å; F204-I217 HydrophobicContact CB-CD1 3.86Å; F204-I217 HydrophobicContact CB-CG1 3.98Å; F204-I217 HydrophobicContact CD2-CD1 4.28Å; F204-I217 HydrophobicContact CG-CD1 4.14Å; F204-L219 HydrophobicContact CD1-CD2 3.78Å; F204-L219 HydrophobicContact CE1-CD2 3.79Å; F204-L219 HydrophobicContact CG-CD2 4.19Å; F204-L219 HydrophobicContact CZ-CD2 4.19Å; F204-N266 WeakPolarHBondContact O-CA 3.46Å; F204-A267 PolarHBondContact N-O 3.23Å; F204-A267 PolarHBondContact O-N 2.69Å; F204-V269 HydrophobicContact CB-CG2 4.38Å; F204-V269 HydrophobicContact CD2-CB 4.28Å; F204-L271 HydrophobicContact CD2-CD2 4.28Å; F204-L271 HydrophobicContact CE2-CB 4.48Å; F204-L271 HydrophobicContact CE2-CD2 3.65Å; F204-L271 HydrophobicContact CZ-CD2 3.89Å
205	C	95.6	Very high	95.9	Very high	32 Å²	32	33.2 Å²	33.2	22%	0.216	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.6	165.2	-64.9	0	0	0	0	107.8	E218 M264 A265	C205-E218 HydrophobicContact CB-CB 4.19Å; C205-E218 PolarHBondContact O-N 3.01Å; C205-M264 HydrophobicContact CB-CB 4.31Å; C205-M264 HydrophobicContact CB-CE 4.38Å; C205-M264 WeakPolarHBondContact O-CE 3.35Å; C205-A265 WeakPolarHBondContact CA-O 3.31Å
206	M	95.5	Very high	95.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.9	-178.4	-174.6	175.4	167.8	0	0	110.5	F204 K215 I216 I217 M264 A265 V269 D346 L348	F204-M206 PolarHBondContact O-N 3.42Å; M206-K215 HydrophobicContact CE-CB 3.96Å; M206-K215 HydrophobicContact CE-CD 3.51Å; M206-K215 HydrophobicContact CE-CG 3.76Å; M206-I216 CarbonylContact C-O 3.58Å; M206-I216 VanDerWaalsContact CA-O 3.27Å; M206-I216 WeakPolarHBondContact CA-O 3.48Å; M206-I216 VanDerWaalsContact CG-O 3.26Å; M206-I216 WeakPolarHBondContact CG-O 3.3Å; M206-I217 HydrophobicContact CB-CG1 4.39Å; M206-I217 HydrophobicContact CG-CB 4.4Å; M206-M264 WeakPolarHBondContact O-CA 3.4Å; M206-A265 PolarHBondContact N-O 3.19Å; M206-A265 PolarHBondContact O-N 3.38Å; M206-V269 HydrophobicContact CB-CG2 4.39Å; M206-V269 HydrophobicContact SD-CG1 4.07Å; M206-V269 HydrophobicContact SD-CG2 3.72Å; M206-D346 HydrophobicContact CE-CB 4.22Å; M206-D346 WeakPolarHBondContact CE-OD2 3.4Å; M206-D346 HydrophobicContact SD-CB 3.99Å; M206-L348 HydrophobicContact CE-CB 4.24Å; M206-L348 HydrophobicContact CE-CD1 4.26Å; M206-L348 HydrophobicContact SD-CB 4.48Å
207	G	95.2	Very high	95.9	Very high	13 Å²	13	29.1 Å²	29.1	13%	0.134	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	168.7	174.8	0	0	0	0	0	112.1	I216	G207-I216 PolarHBondContact N-O 2.87Å; G207-I216 WeakPolarHBondContact O-CG2 3.36Å; G207-I216 PolarHBondContact O-N 2.8Å
208	N	95.6	Very high	95.9	Very high	73 Å²	73	30.1 Å²	30.1	39%	0.39	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140	171.8	-70.8	-80.1	0	0	0	108.8	K215 K234	N208-K215 WeakPolarHBondContact OD1-CG 3.29Å; N208-K234 WeakPolarHBondContact OD1-CE 3.39Å
209	I	95.1	Very high	95.9	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.082	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	90.9	178.9	-50	163.4	0	0	0	107.3	S211 I212 N213 C214 I216 W258	I209-S211 VanDerWaalsContact C-N 3.29Å; I209-S211 PolarHBondContact O-N 3.36Å; I209-I212 HydrophobicContact CB-CD1 4.25Å; I209-I212 HydrophobicContact CB-CG1 3.88Å; I209-I212 HydrophobicContact CD1-CD1 4.14Å; I209-I212 HydrophobicContact CG2-CD1 3.98Å; I209-I212 HydrophobicContact CG2-CG1 3.53Å; I209-I212 PolarHBondContact O-N 3.17Å; I209-N213 PolarHBondContact O-N 2.93Å; I209-C214 HydrophobicContact CB-CB 4.49Å; I209-C214 PolarHBondContact N-O 3.1Å; I209-C214 PolarHBondContact O-N 2.92Å; I209-I216 HydrophobicContact CD1-CB 3.91Å; I209-I216 HydrophobicContact CD1-CG2 3.83Å; I209-I216 HydrophobicContact CG1-CB 4.5Å; I209-I216 HydrophobicContact CG1-CG2 3.92Å; I209-W258 HydrophobicContact CD1-CB 3.56Å; I209-W258 HydrophobicContact CD1-CD2 4.32Å; I209-W258 HydrophobicContact CD1-CG 3.64Å; I209-W258 HydrophobicContact CG1-CG 4.45Å; I209-W258 HydrophobicContact CG2-CG 4.2Å
210	D	92.9	Very high	95.8	Very high	121 Å²	121	30.1 Å²	30.1	65%	0.647	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-67.6	-28.7	-170.5	-62.5	-41.3	0	0	0	113	I212 N213 K234	D210-I212 PolarHBondContact O-N 2.75Å; D210-N213 PolarHBondContact O-N 3.24Å; D210-K234 IonicContact OD1-NZ 2.83Å; D210-K234 PolarHBondContact OD1-NZ 2.83Å
211	S	91.8	Very high	95.9	Very high	68 Å²	68	28.9 Å²	28.9	48%	0.476	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60.6	-30.6	178.7	61.8	0	0	0	0	113.9	I209 K245 Q249	I209-S211 VanDerWaalsContact C-N 3.29Å; I209-S211 PolarHBondContact O-N 3.36Å; S211-K245 VanDerWaalsContact O-CE 3.3Å; S211-K245 WeakPolarHBondContact O-CE 3.49Å; S211-Q249 PolarHBondContact O-NE2 2.83Å
212	I	93.5	Very high	95.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-114.8	8.8	177.5	52.8	167.3	0	0	0	112.8	I209 D210 C214 I246 Q249 W258	I209-I212 HydrophobicContact CB-CD1 4.25Å; I209-I212 HydrophobicContact CB-CG1 3.88Å; I209-I212 HydrophobicContact CD1-CD1 4.14Å; I209-I212 HydrophobicContact CG2-CD1 3.98Å; I209-I212 HydrophobicContact CG2-CG1 3.53Å; I209-I212 PolarHBondContact O-N 3.17Å; D210-I212 PolarHBondContact O-N 2.75Å; I212-C214 VanDerWaalsContact C-N 3.33Å; I212-C214 HydrophobicContact CD1-CB 3.77Å; I212-C214 HydrophobicContact CG1-CB 3.83Å; I212-C214 PolarHBondContact O-N 3.3Å; I212-C214 PolarHBondContact O-SG 3.01Å; I212-I246 HydrophobicContact CD1-CG1 4.33Å; I212-I246 HydrophobicContact CD1-CG2 4.29Å; I212-Q249 HydrophobicContact CG2-CB 3.83Å; I212-Q249 HydrophobicContact CG2-CG 4.08Å; I212-Q249 VanDerWaalsContact CG2-OE1 3.23Å; I212-W258 HydrophobicContact CD1-CD2 3.92Å; I212-W258 HydrophobicContact CD1-CE3 3.94Å; I212-W258 HydrophobicContact CD1-CH2 3.83Å; I212-W258 HydrophobicContact CD1-CZ2 3.81Å; I212-W258 HydrophobicContact CD1-CZ3 3.89Å; I212-W258 HydrophobicContact CG1-CZ2 4.27Å; I212-W258 HydrophobicContact CG2-CH2 3.89Å; I212-W258 HydrophobicContact CG2-CZ2 3.73Å
213	N	94.9	Very high	95.8	Very high	41 Å²	41	32 Å²	32	22%	0.219	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	50.8	-174.6	-162.6	29.6	0	0	0	113.4	I209 D210 K234 E237	I209-N213 PolarHBondContact O-N 2.93Å; D210-N213 PolarHBondContact O-N 3.24Å; N213-K234 WeakPolarHBondContact O-CG 3.47Å; N213-K234 PolarHBondContact O-N 3.07Å; N213-K234 WeakPolarHBondContact OD1-CD 3.48Å; N213-E237 PolarHBondContact ND2-OE1 3.02Å
214	C	95.7	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.3	-175.6	-69.7	0	0	0	0	113.1	I209 I212 L232 I246	I209-C214 HydrophobicContact CB-CB 4.49Å; I209-C214 PolarHBondContact N-O 3.1Å; I209-C214 PolarHBondContact O-N 2.92Å; I212-C214 VanDerWaalsContact C-N 3.33Å; I212-C214 HydrophobicContact CD1-CB 3.77Å; I212-C214 HydrophobicContact CG1-CB 3.83Å; I212-C214 PolarHBondContact O-N 3.3Å; I212-C214 PolarHBondContact O-SG 3.01Å; C214-L232 CarbonylContact C-O 3.52Å; C214-L232 WeakPolarHBondContact CA-O 3.45Å; C214-I246 WeakPolarHBondContact SG-CD1 3.39Å; C214-I246 VanDerWaalsContact SG-CG1 3.54Å
215	K	97.6	Very high	95.9	Very high	39 Å²	39	39 Å²	39	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.3	162.2	-75.8	176.3	175.5	-151.3	0	109.2	M206 N208 L232 K234 D346 E347 L348	M206-K215 HydrophobicContact CE-CB 3.96Å; M206-K215 HydrophobicContact CE-CD 3.51Å; M206-K215 HydrophobicContact CE-CG 3.76Å; N208-K215 WeakPolarHBondContact OD1-CG 3.29Å; K215-L232 PolarHBondContact N-O 2.83Å; K215-L232 PolarHBondContact O-N 3.29Å; K215-K234 HydrophobicContact CG-CG 4.25Å; K215-D346 IonicContact NZ-OD1 3.34Å; K215-D346 PolarHBondContact NZ-OD1 3.11Å; K215-E347 PolarHBondContact NZ-O 2.94Å; K215-L348 HydrophobicContact CB-CD1 4.36Å
216	I	98.1	Very high	96	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.6	172.9	179.1	56.7	0	0	0	109.3	M206 G207 I209 F229 I230 L231 T259 M264	M206-I216 CarbonylContact C-O 3.58Å; M206-I216 VanDerWaalsContact CA-O 3.27Å; M206-I216 WeakPolarHBondContact CA-O 3.48Å; M206-I216 VanDerWaalsContact CG-O 3.26Å; M206-I216 WeakPolarHBondContact CG-O 3.3Å; G207-I216 PolarHBondContact N-O 2.87Å; G207-I216 WeakPolarHBondContact O-CG2 3.36Å; G207-I216 PolarHBondContact O-N 2.8Å; I209-I216 HydrophobicContact CD1-CB 3.91Å; I209-I216 HydrophobicContact CD1-CG2 3.83Å; I209-I216 HydrophobicContact CG1-CB 4.5Å; I209-I216 HydrophobicContact CG1-CG2 3.92Å; I216-F229 HydrophobicContact CD1-CB 3.93Å; I216-F229 HydrophobicContact CD1-CD1 4.22Å; I216-I230 WeakPolarHBondContact CA-O 3.47Å; I216-I230 WeakPolarHBondContact CD1-O 3.41Å; I216-L231 HydrophobicContact CD1-CD1 3.75Å; I216-L231 HydrophobicContact CD1-CG 3.86Å; I216-T259 HydrophobicContact CD1-CG2 4.47Å; I216-M264 HydrophobicContact CG1-CE 3.97Å; I216-M264 HydrophobicContact CG1-SD 4.22Å; I216-M264 HydrophobicContact CG2-CE 4.24Å; I216-M264 HydrophobicContact CG2-CG 4.46Å; I216-M264 HydrophobicContact CG2-SD 4.47Å; I216-M264 WeakPolarHBondContact O-CE 3.48Å
217	I	98.4	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.9	175.1	-168	164.8	0	0	0	110.6	F204 M206 L219 F229 I230 V269 L271 L348	F204-I217 HydrophobicContact CB-CD1 3.86Å; F204-I217 HydrophobicContact CB-CG1 3.98Å; F204-I217 HydrophobicContact CD2-CD1 4.28Å; F204-I217 HydrophobicContact CG-CD1 4.14Å; M206-I217 HydrophobicContact CB-CG1 4.39Å; M206-I217 HydrophobicContact CG-CB 4.4Å; I217-L219 HydrophobicContact CD1-CD2 3.8Å; I217-L219 HydrophobicContact CG1-CD2 3.9Å; I217-L219 HydrophobicContact CG1-CG 4.43Å; I217-L219 HydrophobicContact CG2-CD2 4.37Å; I217-L219 HydrophobicContact CG2-CG 4.16Å; I217-F229 VanDerWaalsContact O-CA 3.29Å; I217-F229 WeakPolarHBondContact O-CA 3.47Å; I217-I230 HydrophobicContact CG2-CB 3.91Å; I217-I230 PolarHBondContact N-O 3.07Å; I217-I230 PolarHBondContact O-N 3.19Å; I217-I230 VanDerWaalsContact O-N 3.1Å; I217-V269 HydrophobicContact CD1-CG1 4.19Å; I217-V269 HydrophobicContact CD1-CG2 4.4Å; I217-L271 HydrophobicContact CD1-CD1 3.96Å; I217-L348 HydrophobicContact CB-CD1 3.52Å; I217-L348 HydrophobicContact CD1-CD1 4.14Å; I217-L348 HydrophobicContact CG1-CD1 4.44Å; I217-L348 HydrophobicContact CG2-CD1 3.3Å; I217-L348 HydrophobicContact CG2-CD2 4.42Å; I217-L348 HydrophobicContact CG2-CG 4.48Å
218	E	98.6	Very high	96.3	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.7	168.5	-177.9	-179.4	-161.9	0	0	109	C205 P220 S227 F229 M264	C205-E218 HydrophobicContact CB-CB 4.19Å; C205-E218 PolarHBondContact O-N 3.01Å; E218-P220 HydrophobicContact CG-CG 4.38Å; E218-P220 WeakPolarHBondContact O-CD 3.37Å; E218-S227 PolarHBondContact OE1-OG 2.82Å; E218-F229 HydrophobicContact CB-CD1 4.12Å; E218-F229 HydrophobicContact CB-CE1 3.63Å; E218-F229 HydrophobicContact CB-CZ 4.05Å; E218-F229 HydrophobicContact CG-CD1 4.43Å; E218-F229 HydrophobicContact CG-CE1 3.69Å; E218-F229 HydrophobicContact CG-CE2 4.24Å; E218-F229 HydrophobicContact CG-CZ 3.53Å; E218-M264 HydrophobicContact CB-CE 4.17Å
219	L	98.3	Very high	96.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	96.7	176.1	-58.3	179.9	0	0	0	108.9	W171 F204 I217 M228 I230 L271 I273	W171-L219 HydrophobicContact CE3-CB 4.38Å; W171-L219 HydrophobicContact CH2-CB 4.33Å; W171-L219 HydrophobicContact CH2-CD1 4.39Å; W171-L219 HydrophobicContact CZ3-CB 3.77Å; F204-L219 HydrophobicContact CD1-CD2 3.78Å; F204-L219 HydrophobicContact CE1-CD2 3.79Å; F204-L219 HydrophobicContact CG-CD2 4.19Å; F204-L219 HydrophobicContact CZ-CD2 4.19Å; I217-L219 HydrophobicContact CD1-CD2 3.8Å; I217-L219 HydrophobicContact CG1-CD2 3.9Å; I217-L219 HydrophobicContact CG1-CG 4.43Å; I217-L219 HydrophobicContact CG2-CD2 4.37Å; I217-L219 HydrophobicContact CG2-CG 4.16Å; L219-M228 HydrophobicContact CB-CB 4.33Å; L219-M228 PolarHBondContact N-O 3.37Å; L219-M228 PolarHBondContact O-N 3.48Å; L219-I230 HydrophobicContact CD1-CD1 3.72Å; L219-I230 HydrophobicContact CD1-CG1 4.43Å; L219-L271 HydrophobicContact CD1-CD2 4.45Å; L219-L271 HydrophobicContact CD2-CD1 4.5Å; L219-L271 HydrophobicContact CD2-CD2 3.54Å; L219-I273 HydrophobicContact CD1-CD1 4.1Å; L219-I273 HydrophobicContact CD1-CG2 4.43Å
220	P	98.1	Very high	96.7	Very high	19 Å²	19	32.4 Å²	32.4	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.8	-178	-17.9	31.9	0	0	0	112.2	M172 E218 K224 S227	M172-P220 HydrophobicContact CB-CB 4.16Å; M172-P220 VanDerWaalsContact CB-O 3.27Å; M172-P220 WeakPolarHBondContact CB-O 3.38Å; M172-P220 PolarHBondContact N-O 2.94Å; M172-P220 HydrophobicContact SD-CB 4.28Å; E218-P220 HydrophobicContact CG-CG 4.38Å; E218-P220 WeakPolarHBondContact O-CD 3.37Å; P220-K224 HydrophobicContact CB-CG 3.99Å; P220-S227 WeakPolarHBondContact CA-OG 3.45Å
221	F	98.1	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-77.2	167.8	164	-64	-75.1	0	0	0	110.3	Y84 F167 K170 W171 N223 K224 L226 M228 I326 I358	Y84-F221 HydrophobicContact CE1-CB 4.12Å; F167-F221 HydrophobicContact CE1-CD1 4Å; F167-F221 HydrophobicContact CE1-CD2 4Å; F167-F221 AromaticContact CE1-CE1 3.7Å; F167-F221 HydrophobicContact CE1-CE1 3.7Å; F167-F221 AromaticContact CE1-CE2 3.71Å; F167-F221 HydrophobicContact CE1-CE2 3.71Å; F167-F221 HydrophobicContact CE1-CG 4.15Å; F167-F221 AromaticContact CE1-CZ 3.55Å; F167-F221 HydrophobicContact CE1-CZ 3.55Å; F167-F221 AromaticContact CZ-CD1 3.81Å; F167-F221 HydrophobicContact CZ-CD1 3.81Å; F167-F221 HydrophobicContact CZ-CD2 4.13Å; F167-F221 AromaticContact CZ-CE1 3.97Å; F167-F221 HydrophobicContact CZ-CE1 3.97Å; F167-F221 HydrophobicContact CZ-CE2 4.28Å; F167-F221 AromaticContact CZ-CG 3.89Å; F167-F221 HydrophobicContact CZ-CG 3.89Å; F167-F221 HydrophobicContact CZ-CZ 4.21Å; K170-F221 CarbonylContact O-C 3.46Å; K170-F221 WeakPolarHBondContact O-CA 3.48Å; K170-F221 WeakPolarHBondContact O-CB 3.26Å; W171-F221 HydrophobicContact CD2-CD1 4.31Å; W171-F221 HydrophobicContact CD2-CE1 4.13Å; W171-F221 AromaticContact CE3-CD1 3.63Å; W171-F221 HydrophobicContact CE3-CD1 3.63Å; W171-F221 AromaticContact CE3-CE1 3.5Å; W171-F221 HydrophobicContact CE3-CE1 3.5Å; W171-F221 HydrophobicContact CE3-CG 4.38Å; W171-F221 HydrophobicContact CE3-CZ 4.16Å; W171-F221 AromaticContact CH2-CE1 3.66Å; W171-F221 HydrophobicContact CH2-CE1 3.66Å; W171-F221 AromaticContact CH2-CZ 3.76Å; W171-F221 HydrophobicContact CH2-CZ 3.76Å; W171-F221 HydrophobicContact CZ2-CE1 4.27Å; W171-F221 AromaticContact CZ3-CD1 3.78Å; W171-F221 HydrophobicContact CZ3-CD1 3.78Å; W171-F221 AromaticContact CZ3-CE1 3.22Å; W171-F221 HydrophobicContact CZ3-CE1 3.22Å; W171-F221 HydrophobicContact CZ3-CE2 4.14Å; W171-F221 HydrophobicContact CZ3-CG 4.44Å; W171-F221 AromaticContact CZ3-CZ 3.43Å; W171-F221 HydrophobicContact CZ3-CZ 3.43Å; W171-F221 VanDerWaalsContact CZ3-CZ 3.43Å; F221-N223 PolarHBondContact O-N 3.32Å; F221-K224 WeakPolarHBondContact O-CA 3.32Å; F221-K224 PolarHBondContact O-N 2.88Å; F221-L226 HydrophobicContact CB-CB 4.32Å; F221-L226 HydrophobicContact CD2-CB 3.66Å; F221-L226 HydrophobicContact CE2-CB 4.49Å; F221-L226 HydrophobicContact CG-CB 4.37Å; F221-L226 PolarHBondContact N-O 2.79Å; F221-M228 HydrophobicContact CE2-CB 3.84Å; F221-M228 HydrophobicContact CZ-CB 4Å; F221-M228 HydrophobicContact CZ-CE 4.36Å; F221-I326 HydrophobicContact CE1-CD1 4.22Å; F221-I326 HydrophobicContact CZ-CD1 4.18Å; F221-I358 HydrophobicContact CD2-CG2 4.46Å; F221-I358 HydrophobicContact CE2-CD1 4.14Å; F221-I358 HydrophobicContact CE2-CG1 4.2Å; F221-I358 HydrophobicContact CE2-CG2 3.88Å; F221-I358 HydrophobicContact CZ-CD1 4.1Å
222	Q	95.6	Very high	97.3	Very high	63 Å²	63	23.6 Å²	23.6	29%	0.294	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-47.6	133.6	-175.8	-172.6	177.2	-2.2	0	0	112	Y84 K170 K224	Y84-Q222 HydrophobicContact CE1-CB 4.12Å; Y84-Q222 PolarHBondContact OH-O 2.76Å; K170-Q222 VanDerWaalsContact CD-OE1 3.23Å; K170-Q222 PolarHBondContact O-N 2.9Å; Q222-K224 PolarHBondContact O-N 3.5Å; Q222-K224 VanDerWaalsContact O-N 3.12Å
223	N	93.6	Very high	97.5	Very high	105 Å²	105	23.7 Å²	23.7	56%	0.561	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	62.4	9.3	-176.4	-53.9	-19.1	0	0	0	116.2	F221 H225	F221-N223 PolarHBondContact O-N 3.32Å; N223-H225 PolarHBondContact O-N 3.48Å; N223-H225 VanDerWaalsContact O-N 3.16Å
224	K	95.9	Very high	97.6	Very high	120 Å²	120	25.5 Å²	25.5	52%	0.522	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	58.1	24.2	175.8	-51.5	-174	176.3	-174.1	0	115	M172 P220 F221 Q222 N361	M172-K224 HydrophobicContact SD-CD 4.16Å; M172-K224 WeakPolarHBondContact SD-CE 3.21Å; M172-K224 HydrophobicContact SD-CG 3.72Å; P220-K224 HydrophobicContact CB-CG 3.99Å; F221-K224 WeakPolarHBondContact O-CA 3.32Å; F221-K224 PolarHBondContact O-N 2.88Å; Q222-K224 PolarHBondContact O-N 3.5Å; Q222-K224 VanDerWaalsContact O-N 3.12Å; K224-N361 PolarHBondContact O-ND2 2.99Å
225	H	96.3	Very high	97.5	Very high	67 Å²	67	29.2 Å²	29.2	31%	0.31	14%	0.141	S	C	.	.	S	Bend	trans	-70.4	-43.1	174.5	-61.7	-55.8	0	0	0	111.3	L80 Y84 N223 H360 N361	L80-H225 HydrophobicContact CD1-CB 4.1Å; L80-H225 HydrophobicContact CD2-CB 3.53Å; L80-H225 HydrophobicContact CG-CB 4.47Å; Y84-H225 HydrophobicContact CE2-CB 3.83Å; N223-H225 PolarHBondContact O-N 3.48Å; N223-H225 VanDerWaalsContact O-N 3.16Å; H225-H360 PolarHBondContact O-CD2 2.9Å; H225-N361 PolarHBondContact O-N 3.12Å
226	L	98.2	Very high	97.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	153.4	170.5	-59.4	-176.4	0	0	0	110.1	L80 Y84 L86 F167 F221 I358 R359 H360 I367	L80-L226 HydrophobicContact CD1-CD2 4Å; L80-L226 HydrophobicContact CD1-CG 4.36Å; Y84-L226 HydrophobicContact CD2-CD1 4.31Å; Y84-L226 HydrophobicContact CE2-CB 4.47Å; Y84-L226 HydrophobicContact CE2-CD1 4.16Å; Y84-L226 HydrophobicContact CE2-CG 3.94Å; L86-L226 HydrophobicContact CD2-CD1 3.98Å; F167-L226 HydrophobicContact CE1-CD1 4.21Å; F167-L226 HydrophobicContact CE2-CD1 4.37Å; F167-L226 HydrophobicContact CZ-CD1 4Å; F221-L226 HydrophobicContact CB-CB 4.32Å; F221-L226 HydrophobicContact CD2-CB 3.66Å; F221-L226 HydrophobicContact CE2-CB 4.49Å; F221-L226 HydrophobicContact CG-CB 4.37Å; F221-L226 PolarHBondContact N-O 2.79Å; L226-I358 HydrophobicContact CB-CG2 4.16Å; L226-I358 HydrophobicContact CD1-CG2 4.19Å; L226-R359 VanDerWaalsContact CA-O 3.32Å; L226-R359 WeakPolarHBondContact CA-O 3.39Å; L226-H360 HydrophobicContact CD2-CB 3.8Å; L226-I367 HydrophobicContact CD2-CG1 4.19Å
227	S	98.4	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.8	167.8	-64.4	0	0	0	0	110.7	E218 P220 I358 R359 N361	E218-S227 PolarHBondContact OE1-OG 2.82Å; P220-S227 WeakPolarHBondContact CA-OG 3.45Å; S227-I358 WeakPolarHBondContact O-CA 3.45Å; S227-R359 PolarHBondContact N-O 2.85Å; S227-R359 PolarHBondContact O-N 2.81Å; S227-N361 PolarHBondContact OG-ND2 3.41Å
228	M	98.8	Very high	96.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.5	169.7	178.5	177	-79.2	0	0	108.6	W171 L219 F221 I230 F276 L324 I326 Y356 I357 I358	W171-M228 HydrophobicContact CH2-CB 4.32Å; W171-M228 HydrophobicContact CH2-CE 4.44Å; W171-M228 HydrophobicContact CH2-SD 3.95Å; W171-M228 HydrophobicContact CZ3-CB 4.23Å; L219-M228 HydrophobicContact CB-CB 4.33Å; L219-M228 PolarHBondContact N-O 3.37Å; L219-M228 PolarHBondContact O-N 3.48Å; F221-M228 HydrophobicContact CE2-CB 3.84Å; F221-M228 HydrophobicContact CZ-CB 4Å; F221-M228 HydrophobicContact CZ-CE 4.36Å; M228-I230 HydrophobicContact CG-CG1 4.03Å; M228-I230 HydrophobicContact SD-CD1 4.06Å; M228-I230 HydrophobicContact SD-CG1 4Å; M228-F276 HydrophobicContact CE-CZ 4.48Å; M228-L324 HydrophobicContact CE-CD2 4.12Å; M228-I326 HydrophobicContact CE-CD1 3.67Å; M228-I326 HydrophobicContact CE-CG1 3.99Å; M228-Y356 HydrophobicContact CE-CD2 4.1Å; M228-I357 CarbonylContact C-O 3.53Å; M228-I357 VanDerWaalsContact CA-O 3.28Å; M228-I357 WeakPolarHBondContact CA-O 3.42Å; M228-I358 HydrophobicContact CB-CG1 4.22Å; M228-I358 HydrophobicContact CE-CD1 3.77Å; M228-I358 HydrophobicContact CE-CG1 3.88Å; M228-I358 HydrophobicContact CG-CG1 4.39Å
229	F	98.7	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	168.9	-67	-96.2	0	0	0	107.8	I216 I217 E218 T259 P261 M264 Y356 I357 R359	I216-F229 HydrophobicContact CD1-CB 3.93Å; I216-F229 HydrophobicContact CD1-CD1 4.22Å; I217-F229 VanDerWaalsContact O-CA 3.29Å; I217-F229 WeakPolarHBondContact O-CA 3.47Å; E218-F229 HydrophobicContact CB-CD1 4.12Å; E218-F229 HydrophobicContact CB-CE1 3.63Å; E218-F229 HydrophobicContact CB-CZ 4.05Å; E218-F229 HydrophobicContact CG-CD1 4.43Å; E218-F229 HydrophobicContact CG-CE1 3.69Å; E218-F229 HydrophobicContact CG-CE2 4.24Å; E218-F229 HydrophobicContact CG-CZ 3.53Å; F229-T259 HydrophobicContact CB-CG2 4.23Å; F229-T259 HydrophobicContact CD1-CG2 4.4Å; F229-T259 HydrophobicContact CG-CG2 4.35Å; F229-P261 HydrophobicContact CE1-CG 4.29Å; F229-P261 HydrophobicContact CZ-CG 4.2Å; F229-M264 HydrophobicContact CE1-SD 4.39Å; F229-Y356 CarbonylContact O-C 3.52Å; F229-Y356 WeakPolarHBondContact O-CA 3.48Å; F229-Y356 WeakPolarHBondContact O-CB 3.37Å; F229-I357 HydrophobicContact CB-CD1 4.36Å; F229-I357 HydrophobicContact CB-CG1 3.72Å; F229-I357 HydrophobicContact CD2-CD1 4.31Å; F229-I357 HydrophobicContact CD2-CG1 4.14Å; F229-I357 HydrophobicContact CG-CG1 4.28Å; F229-I357 PolarHBondContact N-O 2.87Å; F229-I357 PolarHBondContact O-N 3.16Å; F229-R359 HydrophobicContact CD2-CB 4.32Å; F229-R359 HydrophobicContact CE2-CB 4.14Å
230	I	98.8	Very high	95.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.2	175.3	-64.2	178.4	0	0	0	108.2	I216 I217 L219 M228 L232 I273 F354	I216-I230 WeakPolarHBondContact CA-O 3.47Å; I216-I230 WeakPolarHBondContact CD1-O 3.41Å; I217-I230 HydrophobicContact CG2-CB 3.91Å; I217-I230 PolarHBondContact N-O 3.07Å; I217-I230 PolarHBondContact O-N 3.19Å; I217-I230 VanDerWaalsContact O-N 3.1Å; L219-I230 HydrophobicContact CD1-CD1 3.72Å; L219-I230 HydrophobicContact CD1-CG1 4.43Å; M228-I230 HydrophobicContact CG-CG1 4.03Å; M228-I230 HydrophobicContact SD-CD1 4.06Å; M228-I230 HydrophobicContact SD-CG1 4Å; I230-L232 HydrophobicContact CG2-CB 4.21Å; I230-I273 HydrophobicContact CD1-CG2 4.04Å; I230-F354 HydrophobicContact CD1-CE2 4.44Å; I230-F354 HydrophobicContact CG2-CB 3.99Å; I230-F354 HydrophobicContact CG2-CD2 3.79Å; I230-F354 HydrophobicContact CG2-CE2 4.48Å; I230-F354 HydrophobicContact CG2-CG 3.93Å
231	L	98.4	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104.2	168.9	-69.5	83	0	0	0	107.6	I216 I246 W258 T259 F354 I355	I216-L231 HydrophobicContact CD1-CD1 3.75Å; I216-L231 HydrophobicContact CD1-CG 3.86Å; L231-I246 HydrophobicContact CD2-CG2 4.49Å; L231-W258 HydrophobicContact CD2-CB 4.44Å; L231-W258 HydrophobicContact CD2-CD2 4.46Å; L231-W258 HydrophobicContact CD2-CE3 3.67Å; L231-W258 HydrophobicContact CD2-CZ3 4.35Å; L231-T259 HydrophobicContact CD1-CG2 4.14Å; L231-F354 WeakPolarHBondContact O-CB 3.33Å; L231-I355 HydrophobicContact CB-CB 4.4Å; L231-I355 PolarHBondContact N-O 3.33Å; L231-I355 PolarHBondContact O-N 2.67Å; L231-I355 VanDerWaalsContact O-N 3.08Å
232	L	98.6	Very high	94.5	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.4	-178	-178.4	71	0	0	0	108.9	C214 K215 I230 L348 N349 A350 H352 F354	C214-L232 CarbonylContact C-O 3.52Å; C214-L232 WeakPolarHBondContact CA-O 3.45Å; K215-L232 PolarHBondContact N-O 2.83Å; K215-L232 PolarHBondContact O-N 3.29Å; I230-L232 HydrophobicContact CG2-CB 4.21Å; L232-L348 HydrophobicContact CD2-CD2 3.86Å; L232-L348 HydrophobicContact CD2-CG 3.92Å; L232-N349 WeakPolarHBondContact CD2-O 3.41Å; L232-A350 HydrophobicContact CD1-CB 4.16Å; L232-A350 HydrophobicContact CD2-CB 4.2Å; L232-H352 WeakPolarHBondContact CD1-NE2 3.5Å; L232-F354 HydrophobicContact CB-CB 4.42Å; L232-F354 HydrophobicContact CD1-CB 3.82Å; L232-F354 HydrophobicContact CD1-CD1 4.31Å
233	P	97.9	Very high	94.4	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	146.6	166	-25.4	33.5	0	0	0	111.5	D235 G242 L243 I246 H352 P353	P233-D235 VanDerWaalsContact CB-O 3.29Å; P233-D235 WeakPolarHBondContact CB-O 3.36Å; P233-D235 PolarHBondContact O-N 3.24Å; P233-G242 WeakPolarHBondContact CG-O 3.15Å; P233-L243 HydrophobicContact CG-CD2 3.54Å; P233-I246 HydrophobicContact CG-CD1 3.97Å; P233-H352 PolarHBondContact O-NE2 2.85Å; P233-P353 WeakPolarHBondContact CD-O 3.21Å
234	K	96.8	Very high	94.4	Very high	80 Å²	80	37.9 Å²	37.9	35%	0.348	18%	0.184	S	C	.	.	S	Bend	trans	-68.4	-25.1	173.8	-68.1	-170.3	-157.1	158.7	0	111.5	N208 D210 N213 K215	N208-K234 WeakPolarHBondContact OD1-CE 3.39Å; D210-K234 IonicContact OD1-NZ 2.83Å; D210-K234 PolarHBondContact OD1-NZ 2.83Å; N213-K234 WeakPolarHBondContact O-CG 3.47Å; N213-K234 PolarHBondContact O-N 3.07Å; N213-K234 WeakPolarHBondContact OD1-CD 3.48Å; K215-K234 HydrophobicContact CG-CG 4.25Å
235	D	93.9	Very high	94.1	Very high	78 Å²	78	36.3 Å²	36.3	42%	0.417	18%	0.177	S	C	.	.	S	Bend	trans	-156.9	169.7	170.4	-155.6	5.3	0	0	0	111.8	R186 P233 E237	R186-D235 IonicContact CZ-OD1 2.76Å; R186-D235 IonicContact NH1-OD1 2.86Å; R186-D235 PolarHBondContact NH1-OD1 3.39Å; R186-D235 IonicContact NH2-OD1 3.26Å; R186-D235 PolarHBondContact NH2-OD1 2.94Å; P233-D235 VanDerWaalsContact CB-O 3.29Å; P233-D235 WeakPolarHBondContact CB-O 3.36Å; P233-D235 PolarHBondContact O-N 3.24Å; D235-E237 PolarHBondContact O-N 3.3Å
236	V	93.6	Very high	94	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	16%	0.162	C	C	.	.			trans	-86.3	95	173.3	-176.4	0	0	0	0	109.3	K189 H352	K189-V236 WeakPolarHBondContact CE-O 3.32Å; K189-V236 HydrophobicContact CG-CG1 4.02Å; K189-V236 WeakPolarHBondContact CG-O 3.4Å; V236-H352 HydrophobicContact CG2-CB 3.69Å
237	E	89.2	Confident	93.7	Very high	109 Å²	109	35.1 Å²	35.1	51%	0.509	17%	0.171	S	C	.	.			trans	-92.7	-22.2	-173.5	-66.1	179.4	-172.5	0	0	114.4	K189 N213 D235	K189-E237 WeakPolarHBondContact CE-O 3.48Å; K189-E237 PolarHBondContact NZ-O 3.26Å; N213-E237 PolarHBondContact ND2-OE1 3.02Å; D235-E237 PolarHBondContact O-N 3.3Å
238	D	89.8	Confident	93.5	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.123	21%	0.209	C	C	.	.	S	Bend	trans	-98.7	171.9	-178.3	66.3	45.1	0	0	0	112.9	K189 S240 T241 G242 L243 E244	K189-D238 WeakPolarHBondContact CE-O 3.31Å; D238-S240 PolarHBondContact O-N 3.45Å; D238-S240 VanDerWaalsContact OD1-C 3.3Å; D238-S240 WeakPolarHBondContact OD1-CA 2.88Å; D238-S240 PolarHBondContact OD1-N 3.11Å; D238-S240 PolarHBondContact OD1-OG 3.12Å; D238-T241 PolarHBondContact OD1-N 2.82Å; D238-T241 VanDerWaalsContact OD1-N 3.11Å; D238-G242 VanDerWaalsContact CG-CA 3.44Å; D238-G242 VanDerWaalsContact CG-N 3.27Å; D238-G242 WeakPolarHBondContact OD1-CA 3.32Å; D238-G242 PolarHBondContact OD1-N 2.68Å; D238-G242 WeakPolarHBondContact OD2-CA 3.44Å; D238-G242 PolarHBondContact OD2-N 3.2Å; D238-L243 PolarHBondContact OD2-N 3.03Å; D238-E244 HydrophobicContact CB-CG 4.39Å; D238-E244 WeakPolarHBondContact OD2-CB 3.48Å; D238-E244 WeakPolarHBondContact OD2-CG 3.28Å; D238-E244 PolarHBondContact OD2-N 3Å
239	E	85.4	Confident	93.3	Very high	158 Å²	158	47.1 Å²	47.1	74%	0.738	23%	0.225	S	C	*	.	S	Bend	trans	-80	-0.2	-177.9	-58.4	-54.7	127.2	0	0	113.2	K189	K189-E239 IonicContact NZ-OE1 3.68Å; K189-E239 PolarHBondContact NZ-OE1 2.95Å
240	S	89.1	Confident	93.2	Very high	26 Å²	26	47.1 Å²	47.1	18%	0.182	23%	0.225	C	C	.	.	S	Bend	trans	-114.7	-105.6	-177.7	70.6	0	0	0	0	111	N188 D238 E244	N188-S240 WeakPolarHBondContact CA-O 3.3Å; N188-S240 WeakPolarHBondContact CB-O 3.41Å; D238-S240 PolarHBondContact O-N 3.45Å; D238-S240 VanDerWaalsContact OD1-C 3.3Å; D238-S240 WeakPolarHBondContact OD1-CA 2.88Å; D238-S240 PolarHBondContact OD1-N 3.11Å; D238-S240 PolarHBondContact OD1-OG 3.12Å; S240-E244 PolarHBondContact OG-OE1 3.32Å
241	T	87.8	Confident	93	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.025	24%	0.241	C	C	.	.	S	Bend	trans	-104.3	-9.4	-170.8	58.6	0	0	0	0	113.4	L25 D238 L243 P353 C373	L25-T241 HydrophobicContact CD2-CG2 4.05Å; D238-T241 PolarHBondContact OD1-N 2.82Å; D238-T241 VanDerWaalsContact OD1-N 3.11Å; T241-L243 VanDerWaalsContact C-N 3.27Å; T241-P353 VanDerWaalsContact O-CB 3.23Å; T241-P353 WeakPolarHBondContact O-CB 3.37Å; T241-P353 VanDerWaalsContact O-CD 3.32Å; T241-P353 WeakPolarHBondContact O-CD 3.35Å; T241-P353 WeakPolarHBondContact O-CG 3.37Å; T241-C373 HydrophobicContact CG2-CB 4.29Å
242	G	89.8	Confident	92.7	Very high	9 Å²	9	52 Å²	52	9%	0.093	25%	0.254	C	S	.	.	S	Bend	trans	82.7	0.3	-170.2	0	0	0	0	0	113.9	P233 D238	P233-G242 WeakPolarHBondContact CG-O 3.15Å; D238-G242 VanDerWaalsContact CG-CA 3.44Å; D238-G242 VanDerWaalsContact CG-N 3.27Å; D238-G242 WeakPolarHBondContact OD1-CA 3.32Å; D238-G242 PolarHBondContact OD1-N 2.68Å; D238-G242 WeakPolarHBondContact OD2-CA 3.44Å; D238-G242 PolarHBondContact OD2-N 3.2Å
243	L	94.4	Very high	92.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.			trans	-101.7	-5.2	-172.1	-62.7	173.1	0	0	0	114	P233 D238 T241 K245 I246 E247 P353 I355 K371	P233-L243 HydrophobicContact CG-CD2 3.54Å; D238-L243 PolarHBondContact OD2-N 3.03Å; T241-L243 VanDerWaalsContact C-N 3.27Å; L243-K245 VanDerWaalsContact C-N 3.25Å; L243-K245 PolarHBondContact O-N 3.35Å; L243-I246 HydrophobicContact CD2-CD1 3.69Å; L243-I246 PolarHBondContact O-N 3.09Å; L243-E247 PolarHBondContact O-N 3.06Å; L243-P353 HydrophobicContact CD1-CB 3.64Å; L243-P353 HydrophobicContact CG-CB 4.07Å; L243-I355 HydrophobicContact CD1-CG1 4.28Å; L243-I355 HydrophobicContact CD2-CG1 4.31Å; L243-K371 HydrophobicContact CD1-CD 3.5Å; L243-K371 VanDerWaalsContact CD1-CD 3.5Å; L243-K371 HydrophobicContact CD1-CG 3.56Å
244	E	91.8	Very high	92.4	Very high	100 Å²	100	59.2 Å²	59.2	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-40.3	-173.5	-69.5	178.5	-159.3	0	0	112.1	D238 S240 I246 E247 K248	D238-E244 HydrophobicContact CB-CG 4.39Å; D238-E244 WeakPolarHBondContact OD2-CB 3.48Å; D238-E244 WeakPolarHBondContact OD2-CG 3.28Å; D238-E244 PolarHBondContact OD2-N 3Å; S240-E244 PolarHBondContact OG-OE1 3.32Å; E244-I246 PolarHBondContact O-N 3.2Å; E244-E247 PolarHBondContact O-N 3.03Å; E244-K248 VanDerWaalsContact O-CB 3.29Å; E244-K248 WeakPolarHBondContact O-CB 3.21Å; E244-K248 PolarHBondContact O-N 3.13Å
245	K	91.4	Very high	92.3	Very high	86 Å²	86	55.6 Å²	55.6	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-38.8	178.4	-169.2	178.1	-176.6	-177.1	0	112.2	S211 L243 Q249	S211-K245 VanDerWaalsContact O-CE 3.3Å; S211-K245 WeakPolarHBondContact O-CE 3.49Å; L243-K245 VanDerWaalsContact C-N 3.25Å; L243-K245 PolarHBondContact O-N 3.35Å; K245-Q249 PolarHBondContact O-N 2.94Å
246	I	93.6	Very high	92.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-52.2	176.3	-49.8	-176	0	0	0	108.9	I212 C214 L231 P233 L243 E244 K248 Q249 L250 W258 I355	I212-I246 HydrophobicContact CD1-CG1 4.33Å; I212-I246 HydrophobicContact CD1-CG2 4.29Å; C214-I246 WeakPolarHBondContact SG-CD1 3.39Å; C214-I246 VanDerWaalsContact SG-CG1 3.54Å; L231-I246 HydrophobicContact CD2-CG2 4.49Å; P233-I246 HydrophobicContact CG-CD1 3.97Å; L243-I246 HydrophobicContact CD2-CD1 3.69Å; L243-I246 PolarHBondContact O-N 3.09Å; E244-I246 PolarHBondContact O-N 3.2Å; I246-K248 PolarHBondContact O-N 2.95Å; I246-Q249 CarbonylContact O-C 3.57Å; I246-Q249 PolarHBondContact O-N 3.39Å; I246-Q249 VanDerWaalsContact O-N 3.09Å; I246-L250 WeakPolarHBondContact O-CA 3.5Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 PolarHBondContact O-N 3.01Å; I246-W258 HydrophobicContact CG2-CZ3 4Å; I246-I355 HydrophobicContact CB-CD1 4.29Å; I246-I355 HydrophobicContact CG2-CD1 3.87Å
247	E	92.6	Very high	92.3	Very high	42 Å²	42	60 Å²	60	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-37.7	-177.6	-68.9	-179.5	174.4	0	0	112	K17 C20 L243 E244 I355 K371	K17-E247 WeakPolarHBondContact CE-O 3.25Å; C20-E247 PolarHBondContact SG-OE1 3.31Å; L243-E247 PolarHBondContact O-N 3.06Å; E244-E247 PolarHBondContact O-N 3.03Å; E247-I355 HydrophobicContact CG-CD1 4.22Å; E247-K371 WeakPolarHBondContact OE1-CD 3.2Å; E247-K371 WeakPolarHBondContact OE1-CE 3.25Å; E247-K371 IonicContact OE1-NZ 2.72Å; E247-K371 PolarHBondContact OE1-NZ 2.78Å
248	K	92.4	Very high	92.5	Very high	181 Å²	181	55.4 Å²	55.4	79%	0.787	27%	0.27	S	S	*	.	H	α-helix	trans	-67.9	-41.4	175.6	-173.4	175.2	-178.7	176	0	113.6	E244 I246	E244-K248 VanDerWaalsContact O-CB 3.29Å; E244-K248 WeakPolarHBondContact O-CB 3.21Å; E244-K248 PolarHBondContact O-N 3.13Å; I246-K248 PolarHBondContact O-N 2.95Å
249	Q	95.1	Very high	92.7	Very high	72 Å²	72	54.4 Å²	54.4	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-88	-13	-179.3	-67.4	-170.9	41.3	0	0	113.4	S211 I212 K245 I246 N251 S254 W258	S211-Q249 PolarHBondContact O-NE2 2.83Å; I212-Q249 HydrophobicContact CG2-CB 3.83Å; I212-Q249 HydrophobicContact CG2-CG 4.08Å; I212-Q249 VanDerWaalsContact CG2-OE1 3.23Å; K245-Q249 PolarHBondContact O-N 2.94Å; I246-Q249 CarbonylContact O-C 3.57Å; I246-Q249 PolarHBondContact O-N 3.39Å; I246-Q249 VanDerWaalsContact O-N 3.09Å; Q249-N251 PolarHBondContact O-N 2.76Å; Q249-N251 PolarHBondContact O-ND2 3.2Å; Q249-S254 PolarHBondContact O-OG 3.08Å; Q249-W258 HydrophobicContact CB-CH2 3.88Å; Q249-W258 HydrophobicContact CB-CZ2 4.2Å
250	L	96.3	Very high	93	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.245	C	C	.	.			trans	-65.3	124	179.8	-177.1	67	0	0	0	109.4	V13 F16 K17 I246 L255 W258 F369	V13-L250 HydrophobicContact CG1-CD2 4.27Å; V13-L250 HydrophobicContact CG1-CG 3.87Å; F16-L250 HydrophobicContact CD1-CD2 3.6Å; F16-L250 HydrophobicContact CE1-CD2 3.68Å; K17-L250 WeakPolarHBondContact CE-O 3.34Å; K17-L250 PolarHBondContact NZ-O 3.43Å; I246-L250 WeakPolarHBondContact O-CA 3.5Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 PolarHBondContact O-N 3.01Å; L250-L255 HydrophobicContact CD1-CB 3.92Å; L250-L255 HydrophobicContact CD1-CD1 4.03Å; L250-L255 HydrophobicContact CD1-CG 4.4Å; L250-W258 HydrophobicContact CB-CZ3 4.32Å; L250-W258 HydrophobicContact CD1-CE3 4.34Å; L250-W258 HydrophobicContact CD1-CZ3 3.84Å; L250-F369 HydrophobicContact CD2-CZ 4.18Å
251	N	95.6	Very high	92.9	Very high	66 Å²	66	50.7 Å²	50.7	35%	0.353	25%	0.25	S	C	.	.			trans	-150.6	175.7	171	60.1	63.5	0	0	0	107.4	Q249 E253 S254 L255	Q249-N251 PolarHBondContact O-N 2.76Å; Q249-N251 PolarHBondContact O-ND2 3.2Å; N251-E253 VanDerWaalsContact C-N 3.33Å; N251-E253 PolarHBondContact O-N 3.26Å; N251-E253 WeakPolarHBondContact OD1-CB 3.3Å; N251-E253 PolarHBondContact OD1-N 2.81Å; N251-E253 VanDerWaalsContact OD1-N 3.12Å; N251-S254 PolarHBondContact N-OG 2.89Å; N251-S254 PolarHBondContact O-N 3.23Å; N251-S254 PolarHBondContact O-OG 2.82Å; N251-S254 PolarHBondContact OD1-N 3.48Å; N251-S254 PolarHBondContact OD1-OG 2.76Å; N251-L255 WeakPolarHBondContact O-CB 3.47Å; N251-L255 PolarHBondContact O-N 2.73Å
252	S	92.4	Very high	92.9	Very high	39 Å²	39	55.8 Å²	55.8	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-45.2	-177.5	61.1	0	0	0	0	112.3	L256	S252-L256 WeakPolarHBondContact O-CD1 3.37Å; S252-L256 WeakPolarHBondContact O-CG 3.37Å; S252-L256 PolarHBondContact O-N 3.24Å
253	E	94.1	Very high	92.8	Very high	150 Å²	150	59.8 Å²	59.8	70%	0.701	31%	0.308	S	S	*	.	H	α-helix	trans	-68.2	-46.9	-179	-59.5	-178.4	174.8	0	0	111.8	N251 L255 L256 Q257	N251-E253 VanDerWaalsContact C-N 3.33Å; N251-E253 PolarHBondContact O-N 3.26Å; N251-E253 WeakPolarHBondContact OD1-CB 3.3Å; N251-E253 PolarHBondContact OD1-N 2.81Å; N251-E253 VanDerWaalsContact OD1-N 3.12Å; E253-L255 PolarHBondContact O-N 2.84Å; E253-L256 PolarHBondContact O-N 2.84Å; E253-Q257 WeakPolarHBondContact O-CB 3.44Å; E253-Q257 PolarHBondContact O-N 3.46Å
254	S	95.4	Very high	92.7	Very high	11 Å²	11	60.7 Å²	60.7	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-41.4	-179.2	67.9	0	0	0	0	111.5	Q249 N251 L256 Q257 W258	Q249-S254 PolarHBondContact O-OG 3.08Å; N251-S254 PolarHBondContact N-OG 2.89Å; N251-S254 PolarHBondContact O-N 3.23Å; N251-S254 PolarHBondContact O-OG 2.82Å; N251-S254 PolarHBondContact OD1-N 3.48Å; N251-S254 PolarHBondContact OD1-OG 2.76Å; S254-L256 VanDerWaalsContact C-N 3.33Å; S254-L256 PolarHBondContact O-N 3.1Å; S254-Q257 PolarHBondContact O-N 3.47Å; S254-W258 VanDerWaalsContact O-CB 3.28Å; S254-W258 WeakPolarHBondContact O-CB 3.49Å; S254-W258 VanDerWaalsContact O-CD2 3.23Å; S254-W258 PolarHBondContact O-N 2.94Å
255	L	95.5	Very high	92.7	Very high	4 Å²	4	59 Å²	59	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-42.1	175.1	-176.4	62.5	0	0	0	111.8	V13 L250 N251 E253 T259 I357 I366 F369	V13-L255 HydrophobicContact CG2-CB 4.24Å; V13-L255 HydrophobicContact CG2-CD2 3.53Å; L250-L255 HydrophobicContact CD1-CB 3.92Å; L250-L255 HydrophobicContact CD1-CD1 4.03Å; L250-L255 HydrophobicContact CD1-CG 4.4Å; N251-L255 WeakPolarHBondContact O-CB 3.47Å; N251-L255 PolarHBondContact O-N 2.73Å; E253-L255 PolarHBondContact O-N 2.84Å; L255-T259 HydrophobicContact CD1-CG2 3.81Å; L255-T259 WeakPolarHBondContact O-CB 3.41Å; L255-T259 WeakPolarHBondContact O-CG2 3.37Å; L255-T259 PolarHBondContact O-N 2.95Å; L255-T259 PolarHBondContact O-OG1 2.91Å; L255-I357 HydrophobicContact CD1-CD1 4.44Å; L255-I366 HydrophobicContact CD2-CD1 3.64Å; L255-F369 HydrophobicContact CD2-CE1 3.9Å; L255-F369 HydrophobicContact CD2-CZ 4.01Å
256	L	92.3	Very high	92.7	Very high	48 Å²	48	59.6 Å²	59.6	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-42	177.2	-71.5	165.7	0	0	0	112	L6 S252 E253 S254 N260	L6-L256 HydrophobicContact CD2-CD1 3.28Å; L6-L256 HydrophobicContact CD2-CD2 4.21Å; L6-L256 HydrophobicContact CD2-CG 4.4Å; S252-L256 WeakPolarHBondContact O-CD1 3.37Å; S252-L256 WeakPolarHBondContact O-CG 3.37Å; S252-L256 PolarHBondContact O-N 3.24Å; E253-L256 PolarHBondContact O-N 2.84Å; S254-L256 VanDerWaalsContact C-N 3.33Å; S254-L256 PolarHBondContact O-N 3.1Å; L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 PolarHBondContact O-N 2.77Å
257	Q	94.4	Very high	92.7	Very high	131 Å²	131	59.7 Å²	59.7	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-49.8	177	-176.8	-177.8	-5.4	0	0	111.2	E253 S254 T259 N260	E253-Q257 WeakPolarHBondContact O-CB 3.44Å; E253-Q257 PolarHBondContact O-N 3.46Å; S254-Q257 PolarHBondContact O-N 3.47Å; Q257-T259 VanDerWaalsContact C-N 3.3Å; Q257-T259 PolarHBondContact O-N 2.88Å; Q257-N260 WeakPolarHBondContact O-CB 3.31Å; Q257-N260 PolarHBondContact O-N 2.86Å
258	W	94.3	Very high	92.8	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.045	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-34.5	-177	-64.3	-15.8	0	0	0	112.7	I209 I212 L231 I246 Q249 L250 S254	I209-W258 HydrophobicContact CD1-CB 3.56Å; I209-W258 HydrophobicContact CD1-CD2 4.32Å; I209-W258 HydrophobicContact CD1-CG 3.64Å; I209-W258 HydrophobicContact CG1-CG 4.45Å; I209-W258 HydrophobicContact CG2-CG 4.2Å; I212-W258 HydrophobicContact CD1-CD2 3.92Å; I212-W258 HydrophobicContact CD1-CE3 3.94Å; I212-W258 HydrophobicContact CD1-CH2 3.83Å; I212-W258 HydrophobicContact CD1-CZ2 3.81Å; I212-W258 HydrophobicContact CD1-CZ3 3.89Å; I212-W258 HydrophobicContact CG1-CZ2 4.27Å; I212-W258 HydrophobicContact CG2-CH2 3.89Å; I212-W258 HydrophobicContact CG2-CZ2 3.73Å; L231-W258 HydrophobicContact CD2-CB 4.44Å; L231-W258 HydrophobicContact CD2-CD2 4.46Å; L231-W258 HydrophobicContact CD2-CE3 3.67Å; L231-W258 HydrophobicContact CD2-CZ3 4.35Å; I246-W258 HydrophobicContact CG2-CZ3 4Å; Q249-W258 HydrophobicContact CB-CH2 3.88Å; Q249-W258 HydrophobicContact CB-CZ2 4.2Å; L250-W258 HydrophobicContact CB-CZ3 4.32Å; L250-W258 HydrophobicContact CD1-CE3 4.34Å; L250-W258 HydrophobicContact CD1-CZ3 3.84Å; S254-W258 VanDerWaalsContact O-CB 3.28Å; S254-W258 WeakPolarHBondContact O-CB 3.49Å; S254-W258 VanDerWaalsContact O-CD2 3.23Å; S254-W258 PolarHBondContact O-N 2.94Å
259	T	92.4	Very high	93	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	18.3	-176.9	66.6	0	0	0	0	113.4	I216 F229 L231 L255 Q257 P261 I357 R359	I216-T259 HydrophobicContact CD1-CG2 4.47Å; F229-T259 HydrophobicContact CB-CG2 4.23Å; F229-T259 HydrophobicContact CD1-CG2 4.4Å; F229-T259 HydrophobicContact CG-CG2 4.35Å; L231-T259 HydrophobicContact CD1-CG2 4.14Å; L255-T259 HydrophobicContact CD1-CG2 3.81Å; L255-T259 WeakPolarHBondContact O-CB 3.41Å; L255-T259 WeakPolarHBondContact O-CG2 3.37Å; L255-T259 PolarHBondContact O-N 2.95Å; L255-T259 PolarHBondContact O-OG1 2.91Å; Q257-T259 VanDerWaalsContact C-N 3.3Å; Q257-T259 PolarHBondContact O-N 2.88Å; T259-P261 VanDerWaalsContact O-CD 3.27Å; T259-P261 WeakPolarHBondContact O-CD 3.46Å; T259-I357 HydrophobicContact CG2-CD1 3.89Å; T259-R359 PolarHBondContact O-NH1 3.38Å; T259-R359 PolarHBondContact O-NH2 2.89Å; T259-R359 PolarHBondContact OG1-NH1 3.19Å
260	N	92.3	Very high	93.1	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	29%	0.292	S	S	.	.			trans	-79.7	113.1	175.3	-171.7	-17.7	0	0	0	110.2	L256 Q257 S262 T263	L256-N260 WeakPolarHBondContact O-CB 3.47Å; L256-N260 PolarHBondContact O-N 2.77Å; Q257-N260 WeakPolarHBondContact O-CB 3.31Å; Q257-N260 PolarHBondContact O-N 2.86Å; N260-S262 PolarHBondContact O-N 3.49Å; N260-S262 VanDerWaalsContact O-N 3.07Å; N260-S262 VanDerWaalsContact OD1-CB 3.32Å; N260-S262 WeakPolarHBondContact OD1-CB 3.4Å; N260-S262 PolarHBondContact OD1-N 2.95Å; N260-S262 PolarHBondContact OD1-OG 3.07Å; N260-T263 HydrophobicContact CB-CG2 4.32Å; N260-T263 PolarHBondContact O-N 3.36Å; N260-T263 PolarHBondContact O-OG1 3.15Å
261	P	86.3	Confident	93.2	Very high	43 Å²	43	52.5 Å²	52.5	28%	0.279	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.1	-179.6	-22.4	35.8	0	0	0	113.3	F229 T259 T263 M264	F229-P261 HydrophobicContact CE1-CG 4.29Å; F229-P261 HydrophobicContact CZ-CG 4.2Å; T259-P261 VanDerWaalsContact O-CD 3.27Å; T259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-T263 VanDerWaalsContact C-N 3.27Å; P261-T263 PolarHBondContact O-N 2.83Å; P261-M264 PolarHBondContact O-N 3.22Å
262	S	88.3	Confident	93.4	Very high	111 Å²	111	49.8 Å²	49.8	78%	0.776	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-71.8	-17.6	177.2	-56.6	0	0	0	0	113.9	N260 M264	N260-S262 PolarHBondContact O-N 3.49Å; N260-S262 VanDerWaalsContact O-N 3.07Å; N260-S262 VanDerWaalsContact OD1-CB 3.32Å; N260-S262 WeakPolarHBondContact OD1-CB 3.4Å; N260-S262 PolarHBondContact OD1-N 2.95Å; N260-S262 PolarHBondContact OD1-OG 3.07Å; S262-M264 VanDerWaalsContact C-N 3.34Å
263	T	88.4	Confident	93.7	Very high	93 Å²	93	48 Å²	48	57%	0.571	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-94.9	4.3	173.2	59.3	0	0	0	0	112.3	N260 P261	N260-T263 HydrophobicContact CB-CG2 4.32Å; N260-T263 PolarHBondContact O-N 3.36Å; N260-T263 PolarHBondContact O-OG1 3.15Å; P261-T263 VanDerWaalsContact C-N 3.27Å; P261-T263 PolarHBondContact O-N 2.83Å
264	M	92.2	Very high	93.9	Very high	20 Å²	20	41 Å²	41	10%	0.099	23%	0.232	C	C	.	.			trans	-110.9	154.6	-179.4	-58.8	169.3	69.6	0	0	109.3	C205 M206 I216 E218 F229 P261 S262	C205-M264 HydrophobicContact CB-CB 4.31Å; C205-M264 HydrophobicContact CB-CE 4.38Å; C205-M264 WeakPolarHBondContact O-CE 3.35Å; M206-M264 WeakPolarHBondContact O-CA 3.4Å; I216-M264 HydrophobicContact CG1-CE 3.97Å; I216-M264 HydrophobicContact CG1-SD 4.22Å; I216-M264 HydrophobicContact CG2-CE 4.24Å; I216-M264 HydrophobicContact CG2-CG 4.46Å; I216-M264 HydrophobicContact CG2-SD 4.47Å; I216-M264 WeakPolarHBondContact O-CE 3.48Å; E218-M264 HydrophobicContact CB-CE 4.17Å; F229-M264 HydrophobicContact CE1-SD 4.39Å; P261-M264 PolarHBondContact O-N 3.22Å; S262-M264 VanDerWaalsContact C-N 3.34Å
265	A	91.6	Very high	94.1	Very high	65 Å²	65	44.3 Å²	44.3	54%	0.537	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.2	178.5	0	0	0	0	0	110.7	C205 M206 A267	C205-A265 WeakPolarHBondContact CA-O 3.31Å; M206-A265 PolarHBondContact N-O 3.19Å; M206-A265 PolarHBondContact O-N 3.38Å; A265-A267 PolarHBondContact O-N 3.25Å
266	N	92.5	Very high	94.2	Very high	97 Å²	97	45 Å²	45	52%	0.519	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.4	170.8	-80.7	-57.5	0	0	0	109.6	T203 F204	T203-N266 HydrophobicContact CG2-CB 3.89Å; F204-N266 WeakPolarHBondContact O-CA 3.46Å
267	A	92.2	Very high	94.5	Very high	4 Å²	4	48 Å²	48	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.7	174.6	0	0	0	0	0	109.8	T203 F204 A265 V269 H344 D346	T203-A267 CarbonylContact C-O 3.57Å; T203-A267 WeakPolarHBondContact CA-O 3.48Å; F204-A267 PolarHBondContact N-O 3.23Å; F204-A267 PolarHBondContact O-N 2.69Å; A265-A267 PolarHBondContact O-N 3.25Å; A267-V269 HydrophobicContact CB-CG2 4.01Å; A267-V269 PolarHBondContact O-N 3.28Å; A267-H344 CarbonylContact C-O 3.57Å; A267-H344 VanDerWaalsContact CA-O 3.26Å; A267-H344 WeakPolarHBondContact CA-O 3.43Å; A267-H344 WeakPolarHBondContact CB-O 3.49Å; A267-D346 HydrophobicContact CB-CB 4.45Å
268	K	94.6	Very high	94.7	Very high	32 Å²	32	42.2 Å²	42.2	14%	0.139	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	106.3	167	-179.9	64.1	164.7	169.3	0	106.8	E201 E335 H344 K345 D346	E201-K268 HydrophobicContact CG-CD 4.19Å; E201-K268 HydrophobicContact CG-CG 4.34Å; E201-K268 PolarHBondContact O-NZ 2.96Å; E201-K268 WeakPolarHBondContact OE1-CE 3.29Å; K268-E335 IonicContact NZ-OE1 3.55Å; K268-E335 PolarHBondContact NZ-OE1 3.42Å; K268-E335 IonicContact NZ-OE2 3.83Å; K268-E335 PolarHBondContact NZ-OE2 2.91Å; K268-H344 PolarHBondContact N-O 2.75Å; K268-K345 HydrophobicContact CB-CG 4.43Å; K268-K345 WeakPolarHBondContact O-CA 3.43Å; K268-D346 PolarHBondContact O-N 3.38Å; K268-D346 VanDerWaalsContact O-N 3.13Å
269	V	96.4	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.6	-170.6	-174.2	0	0	0	0	110	E201 A202 F204 M206 I217 A267 L271 D346 L348	E201-V269 VanDerWaalsContact CA-O 3.31Å; E201-V269 WeakPolarHBondContact CA-O 3.28Å; A202-V269 PolarHBondContact N-O 2.8Å; A202-V269 VanDerWaalsContact N-O 3.08Å; A202-V269 PolarHBondContact O-N 3.21Å; F204-V269 HydrophobicContact CB-CG2 4.38Å; F204-V269 HydrophobicContact CD2-CB 4.28Å; M206-V269 HydrophobicContact CB-CG2 4.39Å; M206-V269 HydrophobicContact SD-CG1 4.07Å; M206-V269 HydrophobicContact SD-CG2 3.72Å; I217-V269 HydrophobicContact CD1-CG1 4.19Å; I217-V269 HydrophobicContact CD1-CG2 4.4Å; A267-V269 HydrophobicContact CB-CG2 4.01Å; A267-V269 PolarHBondContact O-N 3.28Å; V269-L271 HydrophobicContact CG1-CB 4.32Å; V269-L271 PolarHBondContact O-N 2.86Å; V269-D346 VanDerWaalsContact CA-O 3.28Å; V269-D346 WeakPolarHBondContact CA-O 3.42Å; V269-L348 HydrophobicContact CG1-CB 4.04Å
270	K	98.1	Very high	95.2	Very high	113 Å²	113	47.9 Å²	47.9	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.4	159.4	-177.4	176	169.6	-129.7	0	107.5	D346 E347 L348	K270-D346 PolarHBondContact N-O 2.72Å; K270-E347 HydrophobicContact CB-CB 4.4Å; K270-E347 HydrophobicContact CB-CG 4.25Å; K270-E347 IonicContact NZ-OE1 2.77Å; K270-E347 PolarHBondContact NZ-OE1 3.37Å; K270-E347 WeakPolarHBondContact O-CA 3.5Å; K270-L348 PolarHBondContact O-N 2.91Å
271	L	98.7	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.5	-169.1	-179.5	63.6	0	0	0	110.3	F175 N199 M200 F204 I217 L219 V269 I273 L348	F175-L271 HydrophobicContact CE1-CD2 4.08Å; F175-L271 HydrophobicContact CE1-CG 4.27Å; F175-L271 HydrophobicContact CZ-CD2 3.71Å; F175-L271 HydrophobicContact CZ-CG 4.3Å; N199-L271 WeakPolarHBondContact CA-O 3.34Å; M200-L271 HydrophobicContact CG-CB 4.11Å; M200-L271 HydrophobicContact CG-CD2 4.32Å; M200-L271 PolarHBondContact N-O 3.07Å; M200-L271 PolarHBondContact O-N 3.04Å; M200-L271 HydrophobicContact SD-CD2 4.36Å; F204-L271 HydrophobicContact CD2-CD2 4.28Å; F204-L271 HydrophobicContact CE2-CB 4.48Å; F204-L271 HydrophobicContact CE2-CD2 3.65Å; F204-L271 HydrophobicContact CZ-CD2 3.89Å; I217-L271 HydrophobicContact CD1-CD1 3.96Å; L219-L271 HydrophobicContact CD1-CD2 4.45Å; L219-L271 HydrophobicContact CD2-CD1 4.5Å; L219-L271 HydrophobicContact CD2-CD2 3.54Å; V269-L271 HydrophobicContact CG1-CB 4.32Å; V269-L271 PolarHBondContact O-N 2.86Å; L271-I273 HydrophobicContact CD1-CG2 3.75Å; L271-I273 HydrophobicContact CG-CG2 4.2Å; L271-L348 WeakPolarHBondContact CA-O 3.43Å; L271-L348 HydrophobicContact CD1-CB 4.11Å; L271-L348 HydrophobicContact CD1-CD2 3.87Å
272	S	98.8	Very high	95.9	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.6	171.7	-59.7	0	0	0	0	108.7	M198 N199 L348 N349 A350	M198-S272 VanDerWaalsContact O-CA 3.29Å; M198-S272 WeakPolarHBondContact O-CA 3.33Å; N199-S272 WeakPolarHBondContact OD1-CB 2.86Å; N199-S272 PolarHBondContact OD1-OG 3.39Å; S272-L348 PolarHBondContact N-O 3.13Å; S272-N349 VanDerWaalsContact CB-OD1 3.3Å; S272-N349 WeakPolarHBondContact CB-OD1 3.29Å; S272-A350 PolarHBondContact O-N 2.94Å
273	I	98.8	Very high	96.1	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.5	177.9	62.6	169.6	0	0	0	110.7	W171 F175 M198 L219 I230 L271 A350	W171-I273 HydrophobicContact CZ2-CD1 3.91Å; F175-I273 HydrophobicContact CE1-CD1 4.38Å; F175-I273 HydrophobicContact CE1-CG1 4.02Å; F175-I273 HydrophobicContact CE2-CD1 3.83Å; F175-I273 HydrophobicContact CE2-CG1 4.31Å; F175-I273 HydrophobicContact CZ-CD1 3.5Å; F175-I273 VanDerWaalsContact CZ-CD1 3.5Å; F175-I273 HydrophobicContact CZ-CG1 3.63Å; M198-I273 HydrophobicContact CE-CD1 3.62Å; M198-I273 HydrophobicContact CE-CG1 3.59Å; M198-I273 PolarHBondContact N-O 3.44Å; M198-I273 PolarHBondContact O-N 3.38Å; L219-I273 HydrophobicContact CD1-CD1 4.1Å; L219-I273 HydrophobicContact CD1-CG2 4.43Å; I230-I273 HydrophobicContact CD1-CG2 4.04Å; L271-I273 HydrophobicContact CD1-CG2 3.75Å; L271-I273 HydrophobicContact CG-CG2 4.2Å; I273-A350 HydrophobicContact CG2-CB 4.19Å
274	P	98.8	Very high	96.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.3	178.7	26.3	-32.5	0	0	0	110.3	F185 V195 M197 F276 A350 F354 F372	F185-P274 HydrophobicContact CE2-CG 4.4Å; V195-P274 HydrophobicContact CG1-CB 4.32Å; V195-P274 HydrophobicContact CG2-CB 3.62Å; M197-P274 VanDerWaalsContact SD-N 3.41Å; P274-F276 HydrophobicContact CG-CD1 4.2Å; P274-F276 VanDerWaalsContact O-CD1 3.28Å; P274-F276 WeakPolarHBondContact O-CD1 3.45Å; P274-A350 WeakPolarHBondContact CD-O 3.43Å; P274-F354 HydrophobicContact CG-CE1 3.76Å; P274-F354 HydrophobicContact CG-CZ 3.86Å; P274-F372 HydrophobicContact CB-CE1 4.2Å; P274-F372 HydrophobicContact CB-CZ 4.34Å; P274-F372 HydrophobicContact CG-CD1 4.18Å; P274-F372 HydrophobicContact CG-CE1 3.83Å; P274-F372 HydrophobicContact CG-CZ 4.29Å
275	K	98.8	Very high	96.7	Very high	82 Å²	82	45.2 Å²	45.2	36%	0.357	23%	0.225	S	C	.	.			trans	-74.8	124.4	160.1	177.4	174.6	-172.8	158.2	0	107.5	Q196 M198 I326 E328	Q196-K275 HydrophobicContact CB-CB 4.06Å; Q196-K275 HydrophobicContact CB-CD 4.44Å; Q196-K275 WeakPolarHBondContact O-CB 3.18Å; Q196-K275 PolarHBondContact O-N 3.23Å; M198-K275 HydrophobicContact CG-CB 3.84Å; M198-K275 HydrophobicContact SD-CB 3.9Å; M198-K275 HydrophobicContact SD-CG 4.39Å; K275-I326 WeakPolarHBondContact CG-O 3.39Å; K275-E328 WeakPolarHBondContact CE-OE2 3.26Å; K275-E328 IonicContact NZ-OE1 2.94Å; K275-E328 PolarHBondContact NZ-OE1 2.78Å; K275-E328 IonicContact NZ-OE2 3.45Å; K275-E328 PolarHBondContact NZ-OE2 2.94Å
276	F	98.6	Very high	97	Very high	18 Å²	18	44.1 Å²	44.1	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.5	-177.1	67	-96.8	0	0	0	112.9	M228 P274 V278 L324 I326 F354 Y356 F372	M228-F276 HydrophobicContact CE-CZ 4.48Å; P274-F276 HydrophobicContact CG-CD1 4.2Å; P274-F276 VanDerWaalsContact O-CD1 3.28Å; P274-F276 WeakPolarHBondContact O-CD1 3.45Å; F276-V278 HydrophobicContact CD2-CB 4.47Å; F276-V278 HydrophobicContact CD2-CG2 3.76Å; F276-V278 HydrophobicContact CE2-CG2 4.25Å; F276-L324 HydrophobicContact CE2-CD2 4.01Å; F276-L324 HydrophobicContact CE2-CG 4.3Å; F276-L324 HydrophobicContact CZ-CD2 4.29Å; F276-I326 HydrophobicContact CD1-CB 4.14Å; F276-I326 HydrophobicContact CD1-CG1 4.47Å; F276-I326 HydrophobicContact CD1-CG2 4.47Å; F276-I326 HydrophobicContact CD2-CB 4.49Å; F276-I326 HydrophobicContact CD2-CG1 4.43Å; F276-I326 HydrophobicContact CE1-CB 3.94Å; F276-I326 HydrophobicContact CE1-CG1 3.84Å; F276-I326 HydrophobicContact CE1-CG2 4.21Å; F276-I326 HydrophobicContact CE2-CB 4.34Å; F276-I326 HydrophobicContact CE2-CG1 3.82Å; F276-I326 HydrophobicContact CG-CB 4.42Å; F276-I326 HydrophobicContact CZ-CB 4.07Å; F276-I326 HydrophobicContact CZ-CG1 3.5Å; F276-I326 VanDerWaalsContact CZ-CG1 3.5Å; F276-I326 PolarHBondContact N-O 2.98Å; F276-I326 VanDerWaalsContact N-O 3.14Å; F276-I326 PolarHBondContact O-N 3.26Å; F276-F354 HydrophobicContact CE1-CZ 4.37Å; F276-Y356 HydrophobicContact CZ-CE1 4.47Å; F276-F372 HydrophobicContact CB-CD2 4.37Å; F276-F372 HydrophobicContact CB-CE2 3.59Å; F276-F372 HydrophobicContact CB-CZ 4.12Å; F276-F372 HydrophobicContact CD1-CD2 4.26Å; F276-F372 HydrophobicContact CD1-CE2 4.16Å; F276-F372 HydrophobicContact CD2-CD2 4.28Å; F276-F372 HydrophobicContact CD2-CE2 4.3Å; F276-F372 HydrophobicContact CG-CD2 4.06Å; F276-F372 AromaticContact CG-CE2 3.78Å; F276-F372 HydrophobicContact CG-CE2 3.78Å
277	K	98.6	Very high	97.3	Very high	112 Å²	112	39.5 Å²	39.5	49%	0.487	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.5	167.5	173.9	-179.2	155.6	178.5	0	107.7	R323 L324 E325	K277-R323 VanDerWaalsContact CE-NE 3.28Å; K277-L324 CarbonylContact C-O 3.54Å; K277-L324 WeakPolarHBondContact CA-O 3.35Å; K277-E325 HydrophobicContact CB-CB 4.49Å; K277-E325 HydrophobicContact CB-CG 4.25Å; K277-E325 HydrophobicContact CG-CB 4.36Å; K277-E325 HydrophobicContact CG-CG 4.42Å
278	V	98.3	Very high	97.6	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.9	177.1	175.5	0	0	0	0	108.3	N27 L29 F276 K280 R323 L324 F372	N27-V278 HydrophobicContact CB-CG1 4.38Å; L29-V278 HydrophobicContact CB-CG1 3.82Å; L29-V278 HydrophobicContact CD2-CB 3.96Å; L29-V278 HydrophobicContact CD2-CG1 3.73Å; L29-V278 WeakPolarHBondContact CD2-O 3.49Å; L29-V278 HydrophobicContact CG-CG1 4.44Å; F276-V278 HydrophobicContact CD2-CB 4.47Å; F276-V278 HydrophobicContact CD2-CG2 3.76Å; F276-V278 HydrophobicContact CE2-CG2 4.25Å; V278-K280 HydrophobicContact CG1-CG 3.92Å; V278-R323 CarbonylContact O-C 3.5Å; V278-R323 WeakPolarHBondContact O-CA 3.49Å; V278-L324 PolarHBondContact N-O 2.78Å; V278-L324 PolarHBondContact O-N 3Å; V278-F372 HydrophobicContact CG2-CD2 4.25Å; V278-F372 HydrophobicContact CG2-CE2 4.41Å
279	E	98.5	Very high	97.8	Very high	77 Å²	77	41.2 Å²	41.2	36%	0.36	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.3	171.1	-173.8	170.7	134	0	0	108.5	K321 V322 R323	E279-K321 WeakPolarHBondContact OE1-CE 3.15Å; E279-K321 IonicContact OE1-NZ 2.73Å; E279-K321 PolarHBondContact OE1-NZ 2.92Å; E279-V322 CarbonylContact C-O 3.53Å; E279-V322 WeakPolarHBondContact CA-O 2.86Å; E279-R323 HydrophobicContact CB-CB 4.38Å; E279-R323 HydrophobicContact CB-CG 4.43Å; E279-R323 HydrophobicContact CG-CB 4.2Å; E279-R323 WeakPolarHBondContact OE2-CD 3.43Å
280	K	98.1	Very high	97.9	Very high	57 Å²	57	46.6 Å²	46.6	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.9	-178.4	-73.9	-76.2	172	155.8	0	109.5	N27 L29 V278 K321 V322	N27-K280 WeakPolarHBondContact O-CE 3.36Å; N27-K280 PolarHBondContact O-NZ 3.04Å; L29-K280 HydrophobicContact CB-CB 4.25Å; L29-K280 HydrophobicContact CB-CG 4.09Å; V278-K280 HydrophobicContact CG1-CG 3.92Å; K280-K321 CarbonylContact O-C 3.29Å; K280-K321 WeakPolarHBondContact O-CA 3.46Å; K280-V322 PolarHBondContact N-O 3.35Å; K280-V322 PolarHBondContact O-N 2.94Å
281	M	97.4	Very high	97.9	Very high	95 Å²	95	43.6 Å²	43.6	47%	0.468	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.5	168.3	-175.3	179.6	176.2	0	0	106.9	I319 H320 K321	M281-I319 HydrophobicContact CE-CG2 3.65Å; M281-H320 CarbonylContact C-O 3.19Å; M281-H320 WeakPolarHBondContact CA-O 3.48Å; M281-K321 HydrophobicContact CB-CB 4.38Å; M281-K321 HydrophobicContact CB-CD 4.36Å; M281-K321 HydrophobicContact CB-CG 4.05Å; M281-K321 HydrophobicContact CG-CB 4.28Å; M281-K321 HydrophobicContact CG-CG 4.38Å
282	I	95.6	Very high	97.9	Very high	30 Å²	30	44.7 Å²	44.7	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.7	179	66.9	175.8	0	0	0	109.6	L19 F30 P284 H320	L19-I282 HydrophobicContact CD1-CD1 3.75Å; L19-I282 HydrophobicContact CD2-CD1 3.99Å; F30-I282 HydrophobicContact CB-CD1 3.88Å; I282-P284 WeakPolarHBondContact O-CD 3.25Å; I282-H320 HydrophobicContact CD1-CB 4.38Å; I282-H320 HydrophobicContact CG1-CB 3.74Å; I282-H320 PolarHBondContact N-O 2.81Å; I282-H320 PolarHBondContact O-N 3Å
283	D	93.9	Very high	97.8	Very high	88 Å²	88	44.3 Å²	44.3	47%	0.471	23%	0.226	S	C	.	.			trans	-96	105.1	156.9	178.1	-4.2	0	0	0	107.3	K285	D283-K285 PolarHBondContact O-N 2.87Å; D283-K285 WeakPolarHBondContact OD1-CB 3.35Å; D283-K285 PolarHBondContact OD1-N 2.75Å
284	P	96.4	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.			trans	-79.2	-4.2	-177.8	34.5	-35.5	0	0	0	112.8	L35 I282 A286 S287 L288 V318	L35-P284 HydrophobicContact CD2-CG 4.1Å; I282-P284 WeakPolarHBondContact O-CD 3.25Å; P284-A286 PolarHBondContact O-N 3.44Å; P284-S287 CarbonylContact O-C 3.6Å; P284-S287 WeakPolarHBondContact O-CA 3.17Å; P284-S287 WeakPolarHBondContact O-CB 3.36Å; P284-S287 PolarHBondContact O-N 3.2Å; P284-L288 HydrophobicContact CB-CD1 3.96Å; P284-L288 HydrophobicContact CB-CG 4.17Å; P284-L288 HydrophobicContact CG-CD1 4.03Å; P284-L288 WeakPolarHBondContact O-CB 3.16Å; P284-L288 WeakPolarHBondContact O-CG 3.36Å; P284-L288 PolarHBondContact O-N 2.8Å; P284-V318 WeakPolarHBondContact CD-O 3.49Å; P284-V318 HydrophobicContact CG-CB 3.81Å; P284-V318 HydrophobicContact CG-CG1 3.4Å; P284-V318 VanDerWaalsContact CG-CG1 3.4Å
285	K	96.8	Very high	97.8	Very high	59 Å²	59	53 Å²	53	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-49.9	-58.5	-172.2	179.1	173.8	177.5	169.4	0	113	D283 S287 L288 E289 F297	D283-K285 PolarHBondContact O-N 2.87Å; D283-K285 WeakPolarHBondContact OD1-CB 3.35Å; D283-K285 PolarHBondContact OD1-N 2.75Å; K285-S287 VanDerWaalsContact C-N 3.25Å; K285-S287 PolarHBondContact O-N 3.1Å; K285-L288 WeakPolarHBondContact O-CB 3.33Å; K285-L288 PolarHBondContact O-N 2.77Å; K285-E289 VanDerWaalsContact CE-OE1 3.25Å; K285-E289 WeakPolarHBondContact CE-OE1 3.42Å; K285-E289 WeakPolarHBondContact O-CG 3.38Å; K285-E289 PolarHBondContact O-N 3.46Å; K285-F297 HydrophobicContact CB-CE1 4.42Å; K285-F297 HydrophobicContact CB-CZ 4.46Å; K285-F297 HydrophobicContact CD-CD1 4.15Å; K285-F297 HydrophobicContact CD-CG 4.38Å; K285-F297 HydrophobicContact CG-CD1 4.01Å; K285-F297 HydrophobicContact CG-CD2 4.22Å; K285-F297 HydrophobicContact CG-CE1 4.01Å; K285-F297 HydrophobicContact CG-CE2 4.24Å; K285-F297 HydrophobicContact CG-CG 4.13Å; K285-F297 HydrophobicContact CG-CZ 4.14Å
286	A	97.3	Very high	97.8	Very high	43 Å²	43	49 Å²	49	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-32	-179.7	0	0	0	0	0	113	P284 N290	P284-A286 PolarHBondContact O-N 3.44Å; A286-N290 VanDerWaalsContact O-CG 3.26Å; A286-N290 PolarHBondContact O-N 3.01Å; A286-N290 VanDerWaalsContact O-N 3.15Å; A286-N290 PolarHBondContact O-ND2 3.31Å
287	S	98.3	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.3	-37	175.4	-65.7	0	0	0	0	111.5	K22 P284 K285 N290 L291	K22-S287 WeakPolarHBondContact CE-OG 3.46Å; K22-S287 PolarHBondContact NZ-OG 2.86Å; P284-S287 CarbonylContact O-C 3.6Å; P284-S287 WeakPolarHBondContact O-CA 3.17Å; P284-S287 WeakPolarHBondContact O-CB 3.36Å; P284-S287 PolarHBondContact O-N 3.2Å; K285-S287 VanDerWaalsContact C-N 3.25Å; K285-S287 PolarHBondContact O-N 3.1Å; S287-N290 PolarHBondContact O-N 2.89Å; S287-L291 WeakPolarHBondContact O-CG 3.29Å; S287-L291 PolarHBondContact O-N 2.96Å
288	L	98.6	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-37.7	175.8	-70.2	170.5	0	0	0	111.8	F11 L39 P284 K285 L291 G292 L293 F297	F11-L288 HydrophobicContact CE2-CD2 3.8Å; F11-L288 HydrophobicContact CZ-CD2 3.96Å; L39-L288 HydrophobicContact CD1-CD1 4.34Å; L39-L288 HydrophobicContact CD1-CD2 4.17Å; P284-L288 HydrophobicContact CB-CD1 3.96Å; P284-L288 HydrophobicContact CB-CG 4.17Å; P284-L288 HydrophobicContact CG-CD1 4.03Å; P284-L288 WeakPolarHBondContact O-CB 3.16Å; P284-L288 WeakPolarHBondContact O-CG 3.36Å; P284-L288 PolarHBondContact O-N 2.8Å; K285-L288 WeakPolarHBondContact O-CB 3.33Å; K285-L288 PolarHBondContact O-N 2.77Å; L288-L291 PolarHBondContact O-N 2.92Å; L288-G292 PolarHBondContact O-N 3.36Å; L288-G292 VanDerWaalsContact O-N 3.1Å; L288-L293 HydrophobicContact CB-CB 4.21Å; L288-L293 HydrophobicContact CB-CD1 4.09Å; L288-L293 HydrophobicContact CB-CG 4.4Å; L288-L293 HydrophobicContact CD1-CD1 4.41Å; L288-L293 HydrophobicContact CD2-CD1 4.05Å; L288-L293 HydrophobicContact CG-CD1 4.41Å; L288-L293 WeakPolarHBondContact O-CB 3.34Å; L288-L293 PolarHBondContact O-N 2.88Å; L288-F297 HydrophobicContact CB-CE2 3.97Å; L288-F297 HydrophobicContact CB-CZ 4.08Å; L288-F297 HydrophobicContact CD1-CZ 3.92Å
289	E	98.4	Very high	97.6	Very high	72 Å²	72	49.6 Å²	49.6	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-43.9	172.8	-73.8	171.5	163.4	0	0	111.5	K285 L291 G292 L293 F297	K285-E289 VanDerWaalsContact CE-OE1 3.25Å; K285-E289 WeakPolarHBondContact CE-OE1 3.42Å; K285-E289 WeakPolarHBondContact O-CG 3.38Å; K285-E289 PolarHBondContact O-N 3.46Å; E289-L291 PolarHBondContact O-N 3.47Å; E289-G292 PolarHBondContact O-N 2.94Å; E289-L293 WeakPolarHBondContact CA-O 3.48Å; E289-L293 WeakPolarHBondContact CG-O 3.36Å; E289-F297 HydrophobicContact CG-CD2 3.77Å; E289-F297 HydrophobicContact CG-CE2 4.08Å
290	N	98.4	Very high	97.5	Very high	113 Å²	113	53.4 Å²	53.4	60%	0.604	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-31.5	174.9	-73.6	-13.1	0	0	0	113.1	Q18 A286 S287 G292	Q18-N290 PolarHBondContact OE1-ND2 2.78Å; A286-N290 VanDerWaalsContact O-CG 3.26Å; A286-N290 PolarHBondContact O-N 3.01Å; A286-N290 VanDerWaalsContact O-N 3.15Å; A286-N290 PolarHBondContact O-ND2 3.31Å; S287-N290 PolarHBondContact O-N 2.89Å; N290-G292 VanDerWaalsContact C-N 3.33Å
291	L	98.4	Very high	97.5	Very high	49 Å²	49	54.1 Å²	54.1	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-78.8	-16.9	175.5	-66.8	176.3	0	0	0	113.1	F11 D14 L15 Q18 V57 S287 L288 E289	F11-L291 HydrophobicContact CE2-CD1 4.38Å; D14-L291 HydrophobicContact CB-CD1 4.22Å; D14-L291 HydrophobicContact CB-CD2 3.82Å; L15-L291 HydrophobicContact CB-CD1 4.27Å; Q18-L291 HydrophobicContact CG-CD1 4.46Å; Q18-L291 HydrophobicContact CG-CD2 3.93Å; Q18-L291 HydrophobicContact CG-CG 4.04Å; V57-L291 HydrophobicContact CG1-CB 3.87Å; V57-L291 HydrophobicContact CG1-CD1 4.38Å; V57-L291 HydrophobicContact CG2-CB 4.43Å; V57-L291 WeakPolarHBondContact CG2-O 3.46Å; S287-L291 WeakPolarHBondContact O-CG 3.29Å; S287-L291 PolarHBondContact O-N 2.96Å; L288-L291 PolarHBondContact O-N 2.92Å; E289-L291 PolarHBondContact O-N 3.47Å
292	G	98.4	Very high	97.5	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	125	1.4	175.1	0	0	0	0	0	115.6	L288 E289 N290 K294	L288-G292 PolarHBondContact O-N 3.36Å; L288-G292 VanDerWaalsContact O-N 3.1Å; E289-G292 PolarHBondContact O-N 2.94Å; N290-G292 VanDerWaalsContact C-N 3.33Å; G292-K294 PolarHBondContact O-N 2.83Å
293	L	98.4	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.			trans	-80.5	96.1	174.4	-66.3	-165.9	0	0	0	110.6	L39 E53 I54 V57 L288 E289 I296 F297	L39-L293 HydrophobicContact CD1-CD1 4.22Å; L39-L293 HydrophobicContact CD2-CD1 4.42Å; E53-L293 HydrophobicContact CB-CD2 4.09Å; E53-L293 WeakPolarHBondContact O-CD2 3.48Å; I54-L293 HydrophobicContact CB-CD2 4.48Å; I54-L293 HydrophobicContact CG1-CD2 4.08Å; V57-L293 HydrophobicContact CB-CD2 3.78Å; V57-L293 HydrophobicContact CB-CG 4.05Å; V57-L293 HydrophobicContact CG1-CD1 4.47Å; V57-L293 HydrophobicContact CG1-CD2 4.3Å; V57-L293 HydrophobicContact CG1-CG 4.03Å; V57-L293 HydrophobicContact CG2-CD2 3.63Å; V57-L293 HydrophobicContact CG2-CG 3.91Å; L288-L293 HydrophobicContact CB-CB 4.21Å; L288-L293 HydrophobicContact CB-CD1 4.09Å; L288-L293 HydrophobicContact CB-CG 4.4Å; L288-L293 HydrophobicContact CD1-CD1 4.41Å; L288-L293 HydrophobicContact CD2-CD1 4.05Å; L288-L293 HydrophobicContact CG-CD1 4.41Å; L288-L293 WeakPolarHBondContact O-CB 3.34Å; L288-L293 PolarHBondContact O-N 2.88Å; E289-L293 WeakPolarHBondContact CA-O 3.48Å; E289-L293 WeakPolarHBondContact CG-O 3.36Å; L293-I296 HydrophobicContact CB-CG2 3.83Å; L293-I296 HydrophobicContact CD1-CG2 4.38Å; L293-F297 HydrophobicContact CB-CD2 4.49Å; L293-F297 HydrophobicContact CB-CE2 3.87Å; L293-F297 VanDerWaalsContact O-CD2 3.27Å; L293-F297 WeakPolarHBondContact O-CD2 3.15Å; L293-F297 WeakPolarHBondContact O-CE2 3.1Å
294	K	97.8	Very high	97.9	Very high	134 Å²	134	48 Å²	48	58%	0.583	26%	0.257	S	S	*	.			trans	-110.9	-53.6	-178.3	-64.1	179.9	-179.1	177.9	0	111.5	E53 G292 I296 F297	E53-K294 PolarHBondContact OE2-N 2.96Å; G292-K294 PolarHBondContact O-N 2.83Å; K294-I296 VanDerWaalsContact C-N 3.26Å; K294-I296 PolarHBondContact O-N 2.86Å; K294-F297 PolarHBondContact O-N 2.9Å
295	H	98.3	Very high	97.9	Very high	51 Å²	51	51.4 Å²	51.4	24%	0.236	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.2	-37	-173.7	-63.8	79.6	0	0	0	111	T50 E53 F297 S298 S302	T50-H295 WeakPolarHBondContact OG1-CB 3.37Å; E53-H295 IonicContact OE1-CE1 3.95Å; E53-H295 PolarHBondContact OE1-CE1 3.33Å; E53-H295 VanDerWaalsContact OE1-CE1 3.23Å; E53-H295 IonicContact OE1-CG 3.21Å; E53-H295 IonicContact OE1-ND1 2.78Å; E53-H295 PolarHBondContact OE1-ND1 3.41Å; E53-H295 IonicContact OE2-CG 3.23Å; E53-H295 PolarHBondContact OE2-N 2.89Å; E53-H295 IonicContact OE2-ND1 3.9Å; E53-H295 PolarHBondContact OE2-ND1 3.05Å; E53-H295 VanDerWaalsContact OE2-ND1 3.11Å; H295-F297 PolarHBondContact O-N 3.5Å; H295-S298 PolarHBondContact O-N 2.93Å; H295-S298 VanDerWaalsContact O-N 3.08Å; H295-S302 WeakPolarHBondContact O-CA 3.46Å; H295-S302 WeakPolarHBondContact O-CB 3.16Å; H295-S302 PolarHBondContact O-N 3.3Å
296	I	98.4	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56.2	-29.4	-178.9	-160.8	-176.2	0	0	0	113.5	L39 T50 I54 L293 K294 F304 L315	L39-I296 HydrophobicContact CD2-CD1 4.06Å; T50-I296 HydrophobicContact CG2-CB 4.2Å; T50-I296 HydrophobicContact CG2-CG1 4.39Å; I54-I296 HydrophobicContact CD1-CD1 3.71Å; I54-I296 HydrophobicContact CD1-CG1 4.24Å; I54-I296 HydrophobicContact CG1-CD1 4Å; L293-I296 HydrophobicContact CB-CG2 3.83Å; L293-I296 HydrophobicContact CD1-CG2 4.38Å; K294-I296 VanDerWaalsContact C-N 3.26Å; K294-I296 PolarHBondContact O-N 2.86Å; I296-F304 HydrophobicContact CG1-CE2 4.35Å; I296-F304 HydrophobicContact CG1-CZ 3.78Å; I296-L315 HydrophobicContact CD1-CB 4.34Å; I296-L315 HydrophobicContact CD1-CD2 3.67Å; I296-L315 HydrophobicContact CG1-CB 3.95Å; I296-L315 HydrophobicContact CG1-CD2 4.18Å; I296-L315 WeakPolarHBondContact O-CB 3.13Å; I296-L315 PolarHBondContact O-N 2.73Å
297	F	98.3	Very high	97.9	Very high	19 Å²	19	47.4 Å²	47.4	8%	0.083	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-100.1	-0.3	-176.7	-59.8	-64.6	0	0	0	113.9	K285 L288 E289 L293 K294 H295 L315 V318	K285-F297 HydrophobicContact CB-CE1 4.42Å; K285-F297 HydrophobicContact CB-CZ 4.46Å; K285-F297 HydrophobicContact CD-CD1 4.15Å; K285-F297 HydrophobicContact CD-CG 4.38Å; K285-F297 HydrophobicContact CG-CD1 4.01Å; K285-F297 HydrophobicContact CG-CD2 4.22Å; K285-F297 HydrophobicContact CG-CE1 4.01Å; K285-F297 HydrophobicContact CG-CE2 4.24Å; K285-F297 HydrophobicContact CG-CG 4.13Å; K285-F297 HydrophobicContact CG-CZ 4.14Å; L288-F297 HydrophobicContact CB-CE2 3.97Å; L288-F297 HydrophobicContact CB-CZ 4.08Å; L288-F297 HydrophobicContact CD1-CZ 3.92Å; E289-F297 HydrophobicContact CG-CD2 3.77Å; E289-F297 HydrophobicContact CG-CE2 4.08Å; L293-F297 HydrophobicContact CB-CD2 4.49Å; L293-F297 HydrophobicContact CB-CE2 3.87Å; L293-F297 VanDerWaalsContact O-CD2 3.27Å; L293-F297 WeakPolarHBondContact O-CD2 3.15Å; L293-F297 WeakPolarHBondContact O-CE2 3.1Å; K294-F297 PolarHBondContact O-N 2.9Å; H295-F297 PolarHBondContact O-N 3.5Å; F297-L315 HydrophobicContact CD1-CB 4.08Å; F297-L315 HydrophobicContact CD1-CD2 4.21Å; F297-L315 HydrophobicContact CD1-CG 4.11Å; F297-L315 WeakPolarHBondContact CD1-O 3.29Å; F297-L315 HydrophobicContact CE1-CB 4.27Å; F297-L315 HydrophobicContact CE1-CD2 3.56Å; F297-L315 HydrophobicContact CE1-CG 3.86Å; F297-L315 HydrophobicContact CZ-CD2 4.26Å; F297-V318 HydrophobicContact CE1-CG2 4.07Å
298	S	97.8	Very high	97.9	Very high	35 Å²	35	47.7 Å²	47.7	25%	0.245	26%	0.263	C	S	.	.			trans	-113.6	112.3	-174	166.9	0	0	0	0	110.6	H295 D300 T301 S302	H295-S298 PolarHBondContact O-N 2.93Å; H295-S298 VanDerWaalsContact O-N 3.08Å; S298-D300 PolarHBondContact O-N 3.35Å; S298-D300 VanDerWaalsContact O-N 3.12Å; S298-T301 WeakPolarHBondContact CB-OG1 3.32Å; S298-T301 PolarHBondContact O-N 3.15Å; S298-T301 VanDerWaalsContact O-N 3.09Å; S298-T301 PolarHBondContact OG-N 3.48Å; S298-T301 PolarHBondContact OG-OG1 2.67Å; S298-S302 WeakPolarHBondContact O-CB 3.28Å; S298-S302 PolarHBondContact O-N 2.88Å; S298-S302 PolarHBondContact O-OG 3.46Å
299	E	96.4	Very high	97.8	Very high	96 Å²	96	56.7 Å²	56.7	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.2	-180	-66	-178.4	-177.9	0	0	113.2	G312 A314	E299-G312 WeakPolarHBondContact O-CA 3.4Å; E299-A314 HydrophobicContact CB-CB 4.43Å; E299-A314 HydrophobicContact CG-CB 3.76Å
300	D	96.9	Very high	97.6	Very high	157 Å²	157	56.1 Å²	56.1	84%	0.84	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.8	179.8	-61.9	-46.4	0	0	0	113.3	S298	S298-D300 PolarHBondContact O-N 3.35Å; S298-D300 VanDerWaalsContact O-N 3.12Å
301	T	97.4	Very high	97.4	Very high	71 Å²	71	60 Å²	60	44%	0.436	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-14.1	-167.5	64.5	0	0	0	0	114.3	S298	S298-T301 WeakPolarHBondContact CB-OG1 3.32Å; S298-T301 PolarHBondContact O-N 3.15Å; S298-T301 VanDerWaalsContact O-N 3.09Å; S298-T301 PolarHBondContact OG-N 3.48Å; S298-T301 PolarHBondContact OG-OG1 2.67Å
302	S	97.9	Very high	97.1	Very high	20 Å²	20	59.3 Å²	59.3	14%	0.14	32%	0.323	C	S	.	.			trans	-62.1	134.1	173.8	53.7	0	0	0	0	112.1	H295 S298 V313	H295-S302 WeakPolarHBondContact O-CA 3.46Å; H295-S302 WeakPolarHBondContact O-CB 3.16Å; H295-S302 PolarHBondContact O-N 3.3Å; S298-S302 WeakPolarHBondContact O-CB 3.28Å; S298-S302 PolarHBondContact O-N 2.88Å; S298-S302 PolarHBondContact O-OG 3.46Å; S302-V313 WeakPolarHBondContact CB-O 3.48Å; S302-V313 PolarHBondContact OG-O 2.69Å
303	D	98.4	Very high	97.1	Very high	56 Å²	56	58.4 Å²	58.4	30%	0.299	31%	0.312	S	S	.	.			trans	-114	99.7	170.9	-176.9	-1.7	0	0	0	110.4	A46 K47 T50 S305	A46-D303 CarbonylContact C-O 3.52Å; A46-D303 VanDerWaalsContact CA-O 3.24Å; A46-D303 WeakPolarHBondContact CA-O 3.37Å; K47-D303 WeakPolarHBondContact CB-OD2 3.3Å; K47-D303 PolarHBondContact N-O 2.86Å; T50-D303 PolarHBondContact OG1-N 3.42Å; D303-S305 WeakPolarHBondContact OD1-CB 3.23Å; D303-S305 PolarHBondContact OD1-N 2.79Å; D303-S305 PolarHBondContact OD1-OG 3.29Å
304	F	98.4	Very high	97	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.035	31%	0.313	C	S	.	.			trans	-107.8	27.1	174.4	-78	-72.4	0	0	0	113	G45 A46 T50 I159 I296 G306 M307 S308 V313	G45-F304 CarbonylContact O-C 3.52Å; G45-F304 VanDerWaalsContact O-C 3.24Å; G45-F304 WeakPolarHBondContact O-CA 3.32Å; A46-F304 HydrophobicContact CB-CD1 4.07Å; A46-F304 HydrophobicContact CB-CE1 4.07Å; T50-F304 HydrophobicContact CG2-CE2 4.47Å; T50-F304 HydrophobicContact CG2-CZ 4.42Å; I159-F304 HydrophobicContact CD1-CD2 4.39Å; I159-F304 HydrophobicContact CD1-CE1 4.36Å; I159-F304 HydrophobicContact CD1-CE2 4.25Å; I159-F304 HydrophobicContact CD1-CG 4.47Å; I159-F304 HydrophobicContact CD1-CZ 4.21Å; I296-F304 HydrophobicContact CG1-CE2 4.35Å; I296-F304 HydrophobicContact CG1-CZ 3.78Å; F304-G306 PolarHBondContact O-N 2.91Å; F304-M307 HydrophobicContact CB-CG 3.82Å; F304-M307 HydrophobicContact CB-SD 4.2Å; F304-M307 HydrophobicContact CD1-CE 3.5Å; F304-M307 HydrophobicContact CD1-CG 4.13Å; F304-M307 HydrophobicContact CD1-SD 3.84Å; F304-M307 HydrophobicContact CE1-CE 3.8Å; F304-M307 HydrophobicContact CG-CE 4.45Å; F304-M307 HydrophobicContact CG-CG 4.39Å; F304-M307 HydrophobicContact CG-SD 4.23Å; F304-M307 VanDerWaalsContact O-CG 3.23Å; F304-M307 WeakPolarHBondContact O-CG 3.38Å; F304-M307 PolarHBondContact O-N 3.03Å; F304-S308 PolarHBondContact O-N 3.14Å; F304-V313 HydrophobicContact CB-CG1 4.47Å; F304-V313 HydrophobicContact CD2-CG1 4.39Å; F304-V313 WeakPolarHBondContact CD2-O 3.44Å
305	S	97.9	Very high	97.1	Very high	73 Å²	73	52.2 Å²	52.2	51%	0.51	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.3	-177.8	61.1	0	0	0	0	114.3	K47 D303 S308	K47-S305 WeakPolarHBondContact CB-OG 3.23Å; K47-S305 WeakPolarHBondContact CG-OG 3.11Å; D303-S305 WeakPolarHBondContact OD1-CB 3.23Å; D303-S305 PolarHBondContact OD1-N 2.79Å; D303-S305 PolarHBondContact OD1-OG 3.29Å; S305-S308 WeakPolarHBondContact CA-O 3.39Å
306	G	96.8	Very high	97	Very high	17 Å²	17	51.4 Å²	51.4	18%	0.175	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.3	170	0	0	0	0	0	114.2	G45 S101 F304	G45-G306 CarbonylContact O-C 3.24Å; G45-G306 WeakPolarHBondContact O-CA 3.25Å; G45-G306 PolarHBondContact O-N 2.81Å; S101-G306 PolarHBondContact OG-O 2.93Å; F304-G306 PolarHBondContact O-N 2.91Å
307	M	96.9	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-31.6	179.3	62.6	166.3	68.9	0	0	114.1	G45 I94 L100 S101 F104 I159 F304	G45-M307 PolarHBondContact O-N 3.39Å; I94-M307 HydrophobicContact CD1-CE 4.47Å; I94-M307 HydrophobicContact CD1-SD 4.06Å; L100-M307 CarbonylContact C-O 3.56Å; L100-M307 WeakPolarHBondContact CA-O 3.31Å; L100-M307 HydrophobicContact CD2-CB 4.06Å; L100-M307 HydrophobicContact CD2-SD 4.45Å; S101-M307 PolarHBondContact N-O 2.88Å; F104-M307 HydrophobicContact CB-CB 4.29Å; F104-M307 HydrophobicContact CD1-CB 3.77Å; F104-M307 HydrophobicContact CD2-CB 3.84Å; F104-M307 HydrophobicContact CE1-CB 4Å; F104-M307 HydrophobicContact CE2-CB 4.09Å; F104-M307 HydrophobicContact CE2-CE 4.26Å; F104-M307 HydrophobicContact CG-CB 3.69Å; F104-M307 HydrophobicContact CZ-CB 4.16Å; F104-M307 HydrophobicContact CZ-CE 3.97Å; I159-M307 HydrophobicContact CD1-CE 4.35Å; I159-M307 HydrophobicContact CD1-SD 3.81Å; F304-M307 HydrophobicContact CB-CG 3.82Å; F304-M307 HydrophobicContact CB-SD 4.2Å; F304-M307 HydrophobicContact CD1-CE 3.5Å; F304-M307 HydrophobicContact CD1-CG 4.13Å; F304-M307 HydrophobicContact CD1-SD 3.84Å; F304-M307 HydrophobicContact CE1-CE 3.8Å; F304-M307 HydrophobicContact CG-CE 4.45Å; F304-M307 HydrophobicContact CG-CG 4.39Å; F304-M307 HydrophobicContact CG-SD 4.23Å; F304-M307 VanDerWaalsContact O-CG 3.23Å; F304-M307 WeakPolarHBondContact O-CG 3.38Å; F304-M307 PolarHBondContact O-N 3.03Å
308	S	97.5	Very high	96.9	Very high	6 Å²	6	52 Å²	52	4%	0.042	29%	0.29	C	S	.	.			trans	-152.6	144.6	-173.5	-179.7	0	0	0	0	111.5	L98 F304 S305 T310	L98-S308 VanDerWaalsContact O-CB 3.23Å; L98-S308 WeakPolarHBondContact O-CB 3.28Å; L98-S308 PolarHBondContact O-OG 2.85Å; F304-S308 PolarHBondContact O-N 3.14Å; S305-S308 WeakPolarHBondContact CA-O 3.39Å; S308-T310 VanDerWaalsContact C-N 3.31Å; S308-T310 WeakPolarHBondContact OG-CB 3.44Å; S308-T310 PolarHBondContact OG-N 3.2Å; S308-T310 PolarHBondContact OG-OG1 2.72Å
309	E	95.9	Very high	96.9	Very high	189 Å²	189	50.5 Å²	50.5	88%	0.883	28%	0.279	S	S	*	.	S	Bend	trans	-83.8	-8.4	170.4	-63.4	-176.7	-178	0	0	112.9	K311	E309-K311 PolarHBondContact O-N 3.42Å
310	T	95.6	Very high	97	Very high	60 Å²	60	46 Å²	46	37%	0.368	26%	0.258	S	S	.	.			trans	-64.9	128.2	178.1	-60	0	0	0	0	109.7	L98 S308 V313	L98-T310 HydrophobicContact CD2-CG2 3.79Å; S308-T310 VanDerWaalsContact C-N 3.31Å; S308-T310 WeakPolarHBondContact OG-CB 3.44Å; S308-T310 PolarHBondContact OG-N 3.2Å; S308-T310 PolarHBondContact OG-OG1 2.72Å; T310-V313 HydrophobicContact CG2-CG2 3.84Å; T310-V313 WeakPolarHBondContact O-CG2 3.39Å
311	K	92.8	Very high	97.1	Very high	196 Å²	196	40.1 Å²	40.1	85%	0.852	23%	0.225	S	C	*	.	S	Bend	trans	-83.4	160.5	175.9	-62.4	-174.3	177.9	-175.4	0	111.2	E309	E309-K311 PolarHBondContact O-N 3.42Å
312	G	93.6	Very high	97.2	Very high	34 Å²	34	36.7 Å²	36.7	35%	0.351	20%	0.204	S	C	.	.	S	Bend	trans	70.8	43.3	179.1	0	0	0	0	0	112	E299	E299-G312 WeakPolarHBondContact O-CA 3.4Å
313	V	96.9	Very high	97.2	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	20%	0.204	C	C	.	.			trans	-119.5	113.6	-173.8	177.2	0	0	0	0	108.9	L98 K158 I159 S302 F304 T310	L98-V313 HydrophobicContact CD1-CG1 3.71Å; L98-V313 HydrophobicContact CD2-CB 4.41Å; L98-V313 HydrophobicContact CD2-CG1 4.13Å; L98-V313 HydrophobicContact CD2-CG2 3.39Å; K158-V313 HydrophobicContact CB-CG1 4.42Å; I159-V313 HydrophobicContact CD1-CG1 3.81Å; I159-V313 HydrophobicContact CG1-CG1 4.28Å; S302-V313 WeakPolarHBondContact CB-O 3.48Å; S302-V313 PolarHBondContact OG-O 2.69Å; F304-V313 HydrophobicContact CB-CG1 4.47Å; F304-V313 HydrophobicContact CD2-CG1 4.39Å; F304-V313 WeakPolarHBondContact CD2-O 3.44Å; T310-V313 HydrophobicContact CG2-CG2 3.84Å; T310-V313 WeakPolarHBondContact O-CG2 3.39Å
314	A	98	Very high	97.2	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.189	C	C	.	.			trans	-128.3	168.7	175	0	0	0	0	0	111.9	E299 S316	E299-A314 HydrophobicContact CB-CB 4.43Å; E299-A314 HydrophobicContact CG-CB 3.76Å; A314-S316 PolarHBondContact O-N 2.91Å; A314-S316 VanDerWaalsContact O-N 3.11Å
315	L	98.4	Very high	97.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	102.4	165	-179.5	55.9	0	0	0	109	L39 I159 V161 I296 F297 V318	L39-L315 HydrophobicContact CD2-CD2 4.23Å; I159-L315 HydrophobicContact CB-CD1 4.3Å; I159-L315 HydrophobicContact CG2-CD1 3.8Å; V161-L315 HydrophobicContact CB-CD1 4.33Å; V161-L315 HydrophobicContact CG2-CD1 3.7Å; I296-L315 HydrophobicContact CD1-CB 4.34Å; I296-L315 HydrophobicContact CD1-CD2 3.67Å; I296-L315 HydrophobicContact CG1-CB 3.95Å; I296-L315 HydrophobicContact CG1-CD2 4.18Å; I296-L315 WeakPolarHBondContact O-CB 3.13Å; I296-L315 PolarHBondContact O-N 2.73Å; F297-L315 HydrophobicContact CD1-CB 4.08Å; F297-L315 HydrophobicContact CD1-CD2 4.21Å; F297-L315 HydrophobicContact CD1-CG 4.11Å; F297-L315 WeakPolarHBondContact CD1-O 3.29Å; F297-L315 HydrophobicContact CE1-CB 4.27Å; F297-L315 HydrophobicContact CE1-CD2 3.56Å; F297-L315 HydrophobicContact CE1-CG 3.86Å; F297-L315 HydrophobicContact CZ-CD2 4.26Å; L315-V318 HydrophobicContact CD1-CG2 4.22Å; L315-V318 HydrophobicContact CD2-CG2 3.63Å; L315-V318 HydrophobicContact CG-CG2 3.96Å
316	S	97.2	Very high	97.3	Very high	34 Å²	34	33.2 Å²	33.2	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-45	-172.2	-53.8	0	0	0	0	111.9	K158 I159 A314	K158-S316 PolarHBondContact N-OG 3.45Å; I159-S316 WeakPolarHBondContact O-CB 3.17Å; I159-S316 PolarHBondContact O-N 2.86Å; A314-S316 PolarHBondContact O-N 2.91Å; A314-S316 VanDerWaalsContact O-N 3.11Å
317	N	96.4	Very high	97.4	Very high	31 Å²	31	33.4 Å²	33.4	17%	0.166	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.7	178.6	-157.1	1.3	0	0	0	112.5	S152 L160 V161	S152-N317 PolarHBondContact O-ND2 3.46Å; L160-N317 HydrophobicContact CD1-CB 3.87Å; V161-N317 PolarHBondContact N-O 2.97Å
318	V	97.8	Very high	97.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.3	175.2	-174.2	0	0	0	0	109.2	L35 V161 P284 F297 L315	L35-V318 HydrophobicContact CD2-CG1 3.99Å; V161-V318 HydrophobicContact CB-CB 4.49Å; V161-V318 HydrophobicContact CB-CG1 4.1Å; V161-V318 HydrophobicContact CB-CG2 4.27Å; V161-V318 HydrophobicContact CG1-CG1 3.94Å; V161-V318 WeakPolarHBondContact O-CA 3.4Å; P284-V318 WeakPolarHBondContact CD-O 3.49Å; P284-V318 HydrophobicContact CG-CB 3.81Å; P284-V318 HydrophobicContact CG-CG1 3.4Å; P284-V318 VanDerWaalsContact CG-CG1 3.4Å; F297-V318 HydrophobicContact CE1-CG2 4.07Å; L315-V318 HydrophobicContact CD1-CG2 4.22Å; L315-V318 HydrophobicContact CD2-CG2 3.63Å; L315-V318 HydrophobicContact CG-CG2 3.96Å
319	I	98	Very high	97.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.8	175.3	-63.2	171.3	0	0	0	108.4	I147 L148 L160 V161 V162 N163 M281	I147-I319 HydrophobicContact CD1-CG2 4.34Å; I147-I319 HydrophobicContact CG1-CG2 4.04Å; L148-I319 HydrophobicContact CD2-CD1 3.33Å; L160-I319 HydrophobicContact CD1-CD1 4.1Å; L160-I319 HydrophobicContact CD1-CG1 4.38Å; V161-I319 PolarHBondContact O-N 3.34Å; V162-I319 HydrophobicContact CG2-CB 4.46Å; V162-I319 HydrophobicContact CG2-CD1 4.47Å; N163-I319 PolarHBondContact N-O 2.92Å; M281-I319 HydrophobicContact CE-CG2 3.65Å
320	H	98.5	Very high	97.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	104.7	177.7	-169.6	91.2	0	0	0	110.8	S31 L35 N163 M281 I282 V322	S31-H320 PolarHBondContact N-NE2 2.81Å; S31-H320 PolarHBondContact O-CE1 2.82Å; L35-H320 WeakPolarHBondContact CG-ND1 3.4Å; N163-H320 HydrophobicContact CB-CB 4.36Å; N163-H320 WeakPolarHBondContact CB-ND1 3.35Å; N163-H320 WeakPolarHBondContact O-CA 3.44Å; M281-H320 CarbonylContact C-O 3.19Å; M281-H320 WeakPolarHBondContact CA-O 3.48Å; I282-H320 HydrophobicContact CD1-CB 4.38Å; I282-H320 HydrophobicContact CG1-CB 3.74Å; I282-H320 PolarHBondContact N-O 2.81Å; I282-H320 PolarHBondContact O-N 3Å; H320-V322 WeakPolarHBondContact NE2-CG2 3.32Å
321	K	98.6	Very high	96.9	Very high	33 Å²	33	26.7 Å²	26.7	14%	0.143	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.2	180	-164.9	170.4	-177.3	-176.3	0	111.2	F144 I147 N163 A164 A165 E279 K280 M281	F144-K321 HydrophobicContact CD1-CD 3.8Å; F144-K321 HydrophobicContact CD1-CG 4.2Å; F144-K321 HydrophobicContact CE1-CD 4.05Å; F144-K321 HydrophobicContact CE1-CG 3.94Å; F144-K321 HydrophobicContact CG-CD 4.38Å; F144-K321 HydrophobicContact CZ-CG 4.34Å; I147-K321 HydrophobicContact CD1-CB 3.49Å; I147-K321 VanDerWaalsContact CD1-CB 3.49Å; I147-K321 HydrophobicContact CD1-CD 3.79Å; I147-K321 HydrophobicContact CD1-CG 4.22Å; N163-K321 PolarHBondContact O-N 2.79Å; A164-K321 WeakPolarHBondContact CA-O 3.41Å; A165-K321 PolarHBondContact N-O 2.92Å; E279-K321 WeakPolarHBondContact OE1-CE 3.15Å; E279-K321 IonicContact OE1-NZ 2.73Å; E279-K321 PolarHBondContact OE1-NZ 2.92Å; K280-K321 CarbonylContact O-C 3.29Å; K280-K321 WeakPolarHBondContact O-CA 3.46Å; M281-K321 HydrophobicContact CB-CB 4.38Å; M281-K321 HydrophobicContact CB-CD 4.36Å; M281-K321 HydrophobicContact CB-CG 4.05Å; M281-K321 HydrophobicContact CG-CB 4.28Å; M281-K321 HydrophobicContact CG-CG 4.38Å
322	V	98.8	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.2	-176.3	-174.8	0	0	0	0	111.2	L29 A165 E279 K280 H320 F368	L29-V322 HydrophobicContact CD1-CG1 4.05Å; L29-V322 HydrophobicContact CD2-CB 4.38Å; L29-V322 HydrophobicContact CD2-CG1 3.87Å; L29-V322 HydrophobicContact CG-CB 4.15Å; L29-V322 HydrophobicContact CG-CG1 3.71Å; A165-V322 HydrophobicContact CB-CG1 4.46Å; A165-V322 HydrophobicContact CB-CG2 4.25Å; A165-V322 CarbonylContact O-C 3.56Å; A165-V322 WeakPolarHBondContact O-CA 3.35Å; E279-V322 CarbonylContact C-O 3.53Å; E279-V322 WeakPolarHBondContact CA-O 2.86Å; K280-V322 PolarHBondContact N-O 3.35Å; K280-V322 PolarHBondContact O-N 2.94Å; H320-V322 WeakPolarHBondContact NE2-CG2 3.32Å; V322-F368 HydrophobicContact CG1-CD1 3.61Å; V322-F368 HydrophobicContact CG1-CE1 3.6Å
323	R	98.7	Very high	95	Very high	34 Å²	34	24 Å²	24	13%	0.128	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.6	171.5	176.9	-179.7	166.6	175.6	-4.3	110.8	H143 F144 A165 Y166 F167 K277 V278 E279 E325	H143-R323 PolarHBondContact ND1-NH1 2.88Å; H143-R323 VanDerWaalsContact ND1-NH1 3.19Å; F144-R323 HydrophobicContact CE1-CB 3.94Å; F144-R323 HydrophobicContact CZ-CB 3.94Å; A165-R323 PolarHBondContact O-N 2.86Å; Y166-R323 CarbonylContact C-O 3.43Å; Y166-R323 WeakPolarHBondContact CA-O 3.27Å; F167-R323 PolarHBondContact N-O 2.76Å; K277-R323 VanDerWaalsContact CE-NE 3.28Å; V278-R323 CarbonylContact O-C 3.5Å; V278-R323 WeakPolarHBondContact O-CA 3.49Å; E279-R323 HydrophobicContact CB-CB 4.38Å; E279-R323 HydrophobicContact CB-CG 4.43Å; E279-R323 HydrophobicContact CG-CB 4.2Å; E279-R323 WeakPolarHBondContact OE2-CD 3.43Å; R323-E325 IonicContact CZ-OE2 3.89Å; R323-E325 IonicContact NE-OE2 2.7Å; R323-E325 IonicContact NH2-OE2 3.93Å; R323-E325 PolarHBondContact NH2-OE2 3.11Å
324	L	98.8	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.9	171.8	177.8	63.6	0	0	0	109	L29 F167 M228 F276 K277 V278 I326 Y356 I358	L29-L324 HydrophobicContact CD1-CB 4.26Å; L29-L324 HydrophobicContact CD1-CD2 4.45Å; L29-L324 HydrophobicContact CD2-CB 3.67Å; F167-L324 HydrophobicContact CB-CD1 4.05Å; F167-L324 HydrophobicContact CD1-CD1 3.64Å; F167-L324 HydrophobicContact CG-CD1 4.26Å; M228-L324 HydrophobicContact CE-CD2 4.12Å; F276-L324 HydrophobicContact CE2-CD2 4.01Å; F276-L324 HydrophobicContact CE2-CG 4.3Å; F276-L324 HydrophobicContact CZ-CD2 4.29Å; K277-L324 CarbonylContact C-O 3.54Å; K277-L324 WeakPolarHBondContact CA-O 3.35Å; V278-L324 PolarHBondContact N-O 2.78Å; V278-L324 PolarHBondContact O-N 3Å; L324-I326 HydrophobicContact CD1-CD1 4.07Å; L324-I326 HydrophobicContact CD1-CG1 4.45Å; L324-I326 HydrophobicContact CD2-CG1 4.38Å; L324-I326 HydrophobicContact CG-CD1 4.32Å; L324-I326 HydrophobicContact CG-CG1 4.16Å; L324-Y356 HydrophobicContact CD2-CD2 4.33Å; L324-Y356 HydrophobicContact CD2-CE2 3.47Å; L324-Y356 VanDerWaalsContact CD2-CE2 3.47Å; L324-I358 HydrophobicContact CD1-CD1 3.53Å; L324-I358 HydrophobicContact CD2-CD1 3.76Å; L324-I358 HydrophobicContact CG-CD1 4.32Å
325	E	98.8	Very high	91.3	Very high	48 Å²	48	34.3 Å²	34.3	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.4	177.6	-175.2	164.4	174.7	0	0	109.8	F167 V168 G169 K277 R323 T327	F167-E325 PolarHBondContact O-N 2.53Å; V168-E325 HydrophobicContact CG1-CB 4.35Å; V168-E325 HydrophobicContact CG1-CG 4.34Å; V168-E325 HydrophobicContact CG2-CB 4.26Å; G169-E325 PolarHBondContact N-O 3.1Å; K277-E325 HydrophobicContact CB-CB 4.49Å; K277-E325 HydrophobicContact CB-CG 4.25Å; K277-E325 HydrophobicContact CG-CB 4.36Å; K277-E325 HydrophobicContact CG-CG 4.42Å; R323-E325 IonicContact CZ-OE2 3.89Å; R323-E325 IonicContact NE-OE2 2.7Å; R323-E325 IonicContact NH2-OE2 3.93Å; R323-E325 PolarHBondContact NH2-OE2 3.11Å; E325-T327 HydrophobicContact CG-CG2 4.07Å
326	I	98.8	Very high	89.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.7	-178.2	-65.6	-56.6	0	0	0	108.4	W171 M198 F221 M228 K275 F276 L324	W171-I326 HydrophobicContact CH2-CD1 4.12Å; W171-I326 HydrophobicContact CH2-CG2 4.49Å; W171-I326 HydrophobicContact CZ2-CD1 4.03Å; W171-I326 HydrophobicContact CZ2-CG2 3.59Å; M198-I326 HydrophobicContact CE-CG2 3.78Å; F221-I326 HydrophobicContact CE1-CD1 4.22Å; F221-I326 HydrophobicContact CZ-CD1 4.18Å; M228-I326 HydrophobicContact CE-CD1 3.67Å; M228-I326 HydrophobicContact CE-CG1 3.99Å; K275-I326 WeakPolarHBondContact CG-O 3.39Å; F276-I326 HydrophobicContact CD1-CB 4.14Å; F276-I326 HydrophobicContact CD1-CG1 4.47Å; F276-I326 HydrophobicContact CD1-CG2 4.47Å; F276-I326 HydrophobicContact CD2-CB 4.49Å; F276-I326 HydrophobicContact CD2-CG1 4.43Å; F276-I326 HydrophobicContact CE1-CB 3.94Å; F276-I326 HydrophobicContact CE1-CG1 3.84Å; F276-I326 HydrophobicContact CE1-CG2 4.21Å; F276-I326 HydrophobicContact CE2-CB 4.34Å; F276-I326 HydrophobicContact CE2-CG1 3.82Å; F276-I326 HydrophobicContact CG-CB 4.42Å; F276-I326 HydrophobicContact CZ-CB 4.07Å; F276-I326 HydrophobicContact CZ-CG1 3.5Å; F276-I326 VanDerWaalsContact CZ-CG1 3.5Å; F276-I326 PolarHBondContact N-O 2.98Å; F276-I326 VanDerWaalsContact N-O 3.14Å; F276-I326 PolarHBondContact O-N 3.26Å; L324-I326 HydrophobicContact CD1-CD1 4.07Å; L324-I326 HydrophobicContact CD1-CG1 4.45Å; L324-I326 HydrophobicContact CD2-CG1 4.38Å; L324-I326 HydrophobicContact CG-CD1 4.32Å; L324-I326 HydrophobicContact CG-CG1 4.16Å
327	T	98.7	Very high	86.7	Confident	21 Å²	21	43.8 Å²	43.8	13%	0.129	25%	0.246	C	C	.	.			trans	-133.1	-173.3	-178.6	68.8	0	0	0	0	110.3	W171 M198 E325 D329	W171-T327 PolarHBondContact NE1-O 3.15Å; M198-T327 VanDerWaalsContact SD-O 3.38Å; E325-T327 HydrophobicContact CG-CG2 4.07Å; T327-D329 VanDerWaalsContact C-N 3.28Å; T327-D329 PolarHBondContact OG1-N 3.05Å
328	E	98.7	Very high	84.3	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.056	27%	0.27	C	S	.	.	S	Bend	trans	-73.6	-20.9	178.2	-62	85.4	165.8	0	0	112.9	K174 F175 E177 T180 M198 K275	K174-E328 WeakPolarHBondContact CA-O 3.43Å; K174-E328 WeakPolarHBondContact CB-O 3.29Å; F175-E328 HydrophobicContact CB-CB 3.97Å; F175-E328 HydrophobicContact CB-CG 4.04Å; F175-E328 PolarHBondContact N-O 3.32Å; E177-E328 HydrophobicContact CG-CB 4.01Å; E177-E328 HydrophobicContact CG-CG 4.08Å; T180-E328 WeakPolarHBondContact CB-OE1 3.45Å; T180-E328 WeakPolarHBondContact CG2-OE1 3.26Å; T180-E328 WeakPolarHBondContact OG1-CG 3.36Å; T180-E328 PolarHBondContact OG1-OE1 2.63Å; M198-E328 HydrophobicContact CG-CG 4.06Å; M198-E328 HydrophobicContact SD-CB 4.34Å; M198-E328 HydrophobicContact SD-CG 3.71Å; M198-E328 PolarHBondContact SD-N 2.98Å; M198-E328 VanDerWaalsContact SD-N 3.38Å; K275-E328 WeakPolarHBondContact CE-OE2 3.26Å; K275-E328 IonicContact NZ-OE1 2.94Å; K275-E328 PolarHBondContact NZ-OE1 2.78Å; K275-E328 IonicContact NZ-OE2 3.45Å; K275-E328 PolarHBondContact NZ-OE2 2.94Å
329	D	97.9	Very high	82.1	Confident	74 Å²	74	47.2 Å²	47.2	40%	0.396	29%	0.285	S	S	.	.			trans	-59.6	139.1	-168.4	-174.2	32.5	0	0	0	112.5	K170 W171 T327	K170-D329 WeakPolarHBondContact CA-O 3.43Å; K170-D329 WeakPolarHBondContact CD-OD2 3.27Å; K170-D329 VanDerWaalsContact NZ-CG 3.27Å; K170-D329 IonicContact NZ-OD1 3.47Å; K170-D329 PolarHBondContact NZ-OD1 2.76Å; K170-D329 IonicContact NZ-OD2 2.6Å; K170-D329 PolarHBondContact NZ-OD2 3.49Å; W171-D329 VanDerWaalsContact CD1-O 3.23Å; W171-D329 PolarHBondContact N-O 2.85Å; T327-D329 VanDerWaalsContact C-N 3.28Å; T327-D329 PolarHBondContact OG1-N 3.05Å
330	G	94.8	Very high	79.8	Confident	10 Å²	10	56.2 Å²	56.2	10%	0.103	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	177.2	-178.3	-175	0	0	0	0	0	113.7	W171	W171-G330 CarbonylContact O-C 3.6Å; W171-G330 WeakPolarHBondContact O-CA 3.45Å
331	G	85.7	Confident	77.6	Confident	19 Å²	19	63.6 Å²	63.6	20%	0.196	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-76.5	155.6	172.3	0	0	0	0	0	113	W171 K174 S333	W171-G331 PolarHBondContact O-N 3.09Å; K174-G331 PolarHBondContact N-O 2.85Å; G331-S333 PolarHBondContact O-N 2.95Å
332	D	82.2	Confident	75.7	Confident	124 Å²	124	70.1 Å²	70.1	66%	0.663	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-68.6	125.3	167	-67.8	-48.9	0	0	0	109.7	K174	K174-D332 WeakPolarHBondContact CE-OD1 3.19Å; K174-D332 IonicContact NZ-OD1 2.65Å; K174-D332 PolarHBondContact NZ-OD1 2.91Å
333	S	64.5	Low	74.3	Confident	50 Å²	50	73 Å²	73	35%	0.35	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-90.1	119.9	175.4	-179.3	0	0	0	0	109.9	G331 E335	G331-S333 PolarHBondContact O-N 2.95Å; S333-E335 PolarHBondContact O-N 3.13Å
334	I	58.3	Low	73.6	Confident	153 Å²	153	77.1 Å²	77.1	79%	0.785	43%	0.426	S	S	*	.			trans	-82	105.9	162.8	-57	174.3	0	0	0	107	V336	I334-V336 PolarHBondContact O-N 2.83Å
335	E	58.7	Low	73.2	Confident	68 Å²	68	84.5 Å²	84.5	32%	0.318	46%	0.458	S	S	.	.			trans	-67.4	126.3	165.5	-65.6	-151.5	137.7	0	0	109.1	K268 S333 P337 R340	K268-E335 IonicContact NZ-OE1 3.55Å; K268-E335 PolarHBondContact NZ-OE1 3.42Å; K268-E335 IonicContact NZ-OE2 3.83Å; K268-E335 PolarHBondContact NZ-OE2 2.91Å; S333-E335 PolarHBondContact O-N 3.13Å; E335-P337 WeakPolarHBondContact O-CD 3.34Å; E335-R340 IonicContact OE2-NH2 3.56Å; E335-R340 PolarHBondContact OE2-NH2 3.42Å
336	V	54.1	Low	73	Confident	115 Å²	115	83.8 Å²	83.8	70%	0.697	46%	0.456	S	S	*	.			trans	-70.2	113.6	176.4	-175.2	0	0	0	0	108.4	I334 G338	I334-V336 PolarHBondContact O-N 2.83Å; V336-G338 PolarHBondContact O-N 3.34Å
337	P	43.4	Very low	72.9	Confident	121 Å²	121	87.6 Å²	87.6	79%	0.786	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	108.8	177.7	-12.9	29.3	0	0	0	108.4	E335	E335-P337 WeakPolarHBondContact O-CD 3.34Å
338	G	47.2	Very low	72.9	Confident	64 Å²	64	86.7 Å²	86.7	66%	0.66	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.9	-20.2	179.7	0	0	0	0	0	114.9	V336 R340	V336-G338 PolarHBondContact O-N 3.34Å; G338-R340 PolarHBondContact O-N 3.43Å
339	A	50.2	Low	72.9	Confident	39 Å²	39	88.6 Å²	88.6	32%	0.322	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-79.5	3.3	178.4	0	0	0	0	0	114.5	I341 Q343	A339-I341 PolarHBondContact O-N 3.08Å; A339-Q343 HydrophobicContact CB-CG 4.41Å; A339-Q343 WeakPolarHBondContact O-CG 3.4Å
340	R	51.2	Low	72.9	Confident	194 Å²	194	85.1 Å²	85.1	73%	0.732	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-78.3	-14.3	-167.2	-68.2	-174.4	175.4	-166.8	-3.8	115.4	E335 G338	E335-R340 IonicContact OE2-NH2 3.56Å; E335-R340 PolarHBondContact OE2-NH2 3.42Å; G338-R340 PolarHBondContact O-N 3.43Å
341	I	52.6	Low	73.1	Confident	155 Å²	155	86.2 Å²	86.2	80%	0.795	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-96.9	-17	-169.1	-57.8	176.5	0	0	0	112.6	A339	A339-I341 PolarHBondContact O-N 3.08Å
342	L	58.4	Low	73.7	Confident	171 Å²	171	85.6 Å²	85.6	90%	0.895	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	5.1	-175.8	-67	171.7	0	0	0	115.1
343	Q	67.9	Low	74.5	Confident	61 Å²	61	79.7 Å²	79.7	29%	0.285	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-82.5	128.8	177.9	-83.8	-176.8	-3	0	0	111.6	T203 A339 K345	T203-Q343 PolarHBondContact OG1-OE1 2.82Å; T203-Q343 VanDerWaalsContact OG1-OE1 3.12Å; A339-Q343 HydrophobicContact CB-CG 4.41Å; A339-Q343 WeakPolarHBondContact O-CG 3.4Å; Q343-K345 PolarHBondContact O-N 3.26Å
344	H	83.9	Confident	76.1	Confident	120 Å²	120	77.4 Å²	77.4	56%	0.556	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.9	168.3	-177.3	67.7	0	0	0	109.6	A267 K268 D346	A267-H344 CarbonylContact C-O 3.57Å; A267-H344 VanDerWaalsContact CA-O 3.26Å; A267-H344 WeakPolarHBondContact CA-O 3.43Å; A267-H344 WeakPolarHBondContact CB-O 3.49Å; K268-H344 PolarHBondContact N-O 2.75Å; H344-D346 IonicContact NE2-OD2 3.84Å
345	K	90.9	Very high	78	Confident	154 Å²	154	70.1 Å²	70.1	67%	0.67	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.1	173	-68.1	-171.7	176.5	-169.4	0	108.8	K268 Q343	K268-K345 HydrophobicContact CB-CG 4.43Å; K268-K345 WeakPolarHBondContact O-CA 3.43Å; Q343-K345 PolarHBondContact O-N 3.26Å
346	D	94.4	Very high	79.9	Confident	33 Å²	33	67 Å²	67	18%	0.176	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172.3	175.3	-152.5	-24.8	0	0	0	109.2	M206 K215 A267 K268 V269 K270 H344	M206-D346 HydrophobicContact CE-CB 4.22Å; M206-D346 WeakPolarHBondContact CE-OD2 3.4Å; M206-D346 HydrophobicContact SD-CB 3.99Å; K215-D346 IonicContact NZ-OD1 3.34Å; K215-D346 PolarHBondContact NZ-OD1 3.11Å; A267-D346 HydrophobicContact CB-CB 4.45Å; K268-D346 PolarHBondContact O-N 3.38Å; K268-D346 VanDerWaalsContact O-N 3.13Å; V269-D346 VanDerWaalsContact CA-O 3.28Å; V269-D346 WeakPolarHBondContact CA-O 3.42Å; K270-D346 PolarHBondContact N-O 2.72Å; H344-D346 IonicContact NE2-OD2 3.84Å
347	E	96.8	Very high	82.1	Confident	82 Å²	82	61.5 Å²	61.5	38%	0.383	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.6	176.9	178.6	168.2	-142.9	0	0	109.4	K215 K270	K215-E347 PolarHBondContact NZ-O 2.94Å; K270-E347 HydrophobicContact CB-CB 4.4Å; K270-E347 HydrophobicContact CB-CG 4.25Å; K270-E347 IonicContact NZ-OE1 2.77Å; K270-E347 PolarHBondContact NZ-OE1 3.37Å; K270-E347 WeakPolarHBondContact O-CA 3.5Å
348	L	98.4	Very high	84.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	108.2	168.5	-168.7	154.9	0	0	0	108.3	M206 K215 I217 L232 V269 K270 L271 S272 A350	M206-L348 HydrophobicContact CE-CB 4.24Å; M206-L348 HydrophobicContact CE-CD1 4.26Å; M206-L348 HydrophobicContact SD-CB 4.48Å; K215-L348 HydrophobicContact CB-CD1 4.36Å; I217-L348 HydrophobicContact CB-CD1 3.52Å; I217-L348 HydrophobicContact CD1-CD1 4.14Å; I217-L348 HydrophobicContact CG1-CD1 4.44Å; I217-L348 HydrophobicContact CG2-CD1 3.3Å; I217-L348 HydrophobicContact CG2-CD2 4.42Å; I217-L348 HydrophobicContact CG2-CG 4.48Å; L232-L348 HydrophobicContact CD2-CD2 3.86Å; L232-L348 HydrophobicContact CD2-CG 3.92Å; V269-L348 HydrophobicContact CG1-CB 4.04Å; K270-L348 PolarHBondContact O-N 2.91Å; L271-L348 WeakPolarHBondContact CA-O 3.43Å; L271-L348 HydrophobicContact CD1-CB 4.11Å; L271-L348 HydrophobicContact CD1-CD2 3.87Å; S272-L348 PolarHBondContact N-O 3.13Å; L348-A350 HydrophobicContact CD2-CB 4.02Å
349	N	98.6	Very high	87.1	Confident	53 Å²	53	53.5 Å²	53.5	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	97.3	176.3	178.1	29.9	0	0	0	108.9	L232 S272 D351	L232-N349 WeakPolarHBondContact CD2-O 3.41Å; S272-N349 VanDerWaalsContact CB-OD1 3.3Å; S272-N349 WeakPolarHBondContact CB-OD1 3.29Å; N349-D351 PolarHBondContact ND2-OD2 2.91Å; N349-D351 PolarHBondContact O-N 3.35Å
350	A	98.6	Very high	89.4	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.			trans	-81	57.2	-179.4	0	0	0	0	0	111.4	F185 L232 S272 I273 P274 L348 H352 F354	F185-A350 WeakPolarHBondContact CE2-O 3.38Å; L232-A350 HydrophobicContact CD1-CB 4.16Å; L232-A350 HydrophobicContact CD2-CB 4.2Å; S272-A350 PolarHBondContact O-N 2.94Å; I273-A350 HydrophobicContact CG2-CB 4.19Å; P274-A350 WeakPolarHBondContact CD-O 3.43Å; L348-A350 HydrophobicContact CD2-CB 4.02Å; A350-H352 VanDerWaalsContact C-N 3.33Å; A350-F354 HydrophobicContact CB-CD1 3.87Å; A350-F354 HydrophobicContact CB-CE1 3.9Å
351	D	98.4	Very high	91.5	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.182	22%	0.219	C	C	.	.			trans	-93.3	15.8	-179.9	70.3	-7.7	0	0	0	113.7	F185 R186 M197 N349	F185-D351 CarbonylContact C-O 3.56Å; F185-D351 WeakPolarHBondContact CA-O 3.37Å; F185-D351 VanDerWaalsContact CD2-C 3.48Å; R186-D351 PolarHBondContact N-O 3.28Å; R186-D351 IonicContact NE-OD1 3.49Å; M197-D351 HydrophobicContact CE-CB 3.91Å; N349-D351 PolarHBondContact ND2-OD2 2.91Å; N349-D351 PolarHBondContact O-N 3.35Å
352	H	98.7	Very high	93.6	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	21%	0.212	C	C	.	.	S	Bend	trans	-153.3	171.1	179	60.7	-84.6	0	0	0	109.6	F185 R186 L232 P233 V236 A350 F354	F185-H352 VanDerWaalsContact CZ-O 3.28Å; F185-H352 WeakPolarHBondContact CZ-O 3.47Å; R186-H352 HydrophobicContact CB-CB 3.98Å; R186-H352 PolarHBondContact NH2-CE1 3.08Å; R186-H352 VanDerWaalsContact NH2-CG 3.32Å; R186-H352 PolarHBondContact NH2-ND1 3.37Å; R186-H352 VanDerWaalsContact NH2-ND1 3.1Å; R186-H352 WeakPolarHBondContact O-CA 3.45Å; L232-H352 WeakPolarHBondContact CD1-NE2 3.5Å; P233-H352 PolarHBondContact O-NE2 2.85Å; V236-H352 HydrophobicContact CG2-CB 3.69Å; A350-H352 VanDerWaalsContact C-N 3.33Å; H352-F354 WeakPolarHBondContact O-CD1 3.35Å; H352-F354 PolarHBondContact O-N 3.03Å
353	P	98.7	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.			trans	-58.7	140.4	-166.2	-28.2	39.5	0	0	0	113.5	F185 R186 P233 T241 L243 F372 C373	F185-P353 HydrophobicContact CE1-CG 4.27Å; R186-P353 VanDerWaalsContact O-CD 3.31Å; R186-P353 WeakPolarHBondContact O-CD 3.4Å; P233-P353 WeakPolarHBondContact CD-O 3.21Å; T241-P353 VanDerWaalsContact O-CB 3.23Å; T241-P353 WeakPolarHBondContact O-CB 3.37Å; T241-P353 VanDerWaalsContact O-CD 3.32Å; T241-P353 WeakPolarHBondContact O-CD 3.35Å; T241-P353 WeakPolarHBondContact O-CG 3.37Å; L243-P353 HydrophobicContact CD1-CB 3.64Å; L243-P353 HydrophobicContact CG-CB 4.07Å; P353-F372 WeakPolarHBondContact CA-O 3.14Å; P353-C373 HydrophobicContact CB-CB 4.45Å
354	F	98.8	Very high	96.7	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.6	179.3	57.6	-95.3	0	0	0	112	F185 I230 L231 L232 P274 F276 A350 H352 Y356 K371 F372	F185-F354 HydrophobicContact CE2-CE1 4.23Å; I230-F354 HydrophobicContact CD1-CE2 4.44Å; I230-F354 HydrophobicContact CG2-CB 3.99Å; I230-F354 HydrophobicContact CG2-CD2 3.79Å; I230-F354 HydrophobicContact CG2-CE2 4.48Å; I230-F354 HydrophobicContact CG2-CG 3.93Å; L231-F354 WeakPolarHBondContact O-CB 3.33Å; L232-F354 HydrophobicContact CB-CB 4.42Å; L232-F354 HydrophobicContact CD1-CB 3.82Å; L232-F354 HydrophobicContact CD1-CD1 4.31Å; P274-F354 HydrophobicContact CG-CE1 3.76Å; P274-F354 HydrophobicContact CG-CZ 3.86Å; F276-F354 HydrophobicContact CE1-CZ 4.37Å; A350-F354 HydrophobicContact CB-CD1 3.87Å; A350-F354 HydrophobicContact CB-CE1 3.9Å; H352-F354 WeakPolarHBondContact O-CD1 3.35Å; H352-F354 PolarHBondContact O-N 3.03Å; F354-Y356 AromaticContact CD2-CD1 3.96Å; F354-Y356 HydrophobicContact CD2-CD1 3.96Å; F354-Y356 AromaticContact CE2-CD1 3.69Å; F354-Y356 HydrophobicContact CE2-CD1 3.69Å; F354-Y356 HydrophobicContact CE2-CE1 4.44Å; F354-Y356 HydrophobicContact CE2-CG 4.37Å; F354-K371 WeakPolarHBondContact O-CA 3.44Å; F354-F372 HydrophobicContact CD1-CB 4.49Å; F354-F372 HydrophobicContact CD1-CD1 4.47Å; F354-F372 HydrophobicContact CD2-CB 4.21Å; F354-F372 HydrophobicContact CE1-CB 4.02Å; F354-F372 AromaticContact CE1-CD1 3.67Å; F354-F372 HydrophobicContact CE1-CD1 3.67Å; F354-F372 HydrophobicContact CE1-CG 4.14Å; F354-F372 HydrophobicContact CE2-CB 3.71Å; F354-F372 HydrophobicContact CE2-CG 4.43Å; F354-F372 HydrophobicContact CZ-CB 3.6Å; F354-F372 AromaticContact CZ-CD1 3.82Å; F354-F372 HydrophobicContact CZ-CD1 3.82Å; F354-F372 AromaticContact CZ-CG 3.85Å; F354-F372 HydrophobicContact CZ-CG 3.85Å; F354-F372 PolarHBondContact N-O 3.43Å; F354-F372 PolarHBondContact O-N 3.25Å
355	I	98.8	Very high	97.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.5	169.2	-67.7	175.8	0	0	0	108.2	F16 L231 L243 I246 E247 F369 K371	F16-I355 HydrophobicContact CE1-CD1 3.92Å; F16-I355 HydrophobicContact CE1-CG1 4.49Å; F16-I355 HydrophobicContact CZ-CD1 3.95Å; F16-I355 HydrophobicContact CZ-CG1 4.03Å; F16-I355 HydrophobicContact CZ-CG2 4.17Å; L231-I355 HydrophobicContact CB-CB 4.4Å; L231-I355 PolarHBondContact N-O 3.33Å; L231-I355 PolarHBondContact O-N 2.67Å; L231-I355 VanDerWaalsContact O-N 3.08Å; L243-I355 HydrophobicContact CD1-CG1 4.28Å; L243-I355 HydrophobicContact CD2-CG1 4.31Å; I246-I355 HydrophobicContact CB-CD1 4.29Å; I246-I355 HydrophobicContact CG2-CD1 3.87Å; E247-I355 HydrophobicContact CG-CD1 4.22Å; I355-F369 HydrophobicContact CG2-CD2 4.47Å; I355-F369 HydrophobicContact CG2-CE2 3.68Å; I355-K371 HydrophobicContact CG1-CG 4.29Å
356	Y	98.8	Very high	97.7	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	174.5	65	-89.1	0	0	0	112.6	L29 M228 F229 F276 L324 F354 G370 F372	L29-Y356 HydrophobicContact CD1-CE2 4.35Å; M228-Y356 HydrophobicContact CE-CD2 4.1Å; F229-Y356 CarbonylContact O-C 3.52Å; F229-Y356 WeakPolarHBondContact O-CA 3.48Å; F229-Y356 WeakPolarHBondContact O-CB 3.37Å; F276-Y356 HydrophobicContact CZ-CE1 4.47Å; L324-Y356 HydrophobicContact CD2-CD2 4.33Å; L324-Y356 HydrophobicContact CD2-CE2 3.47Å; L324-Y356 VanDerWaalsContact CD2-CE2 3.47Å; F354-Y356 AromaticContact CD2-CD1 3.96Å; F354-Y356 HydrophobicContact CD2-CD1 3.96Å; F354-Y356 AromaticContact CE2-CD1 3.69Å; F354-Y356 HydrophobicContact CE2-CD1 3.69Å; F354-Y356 HydrophobicContact CE2-CE1 4.44Å; F354-Y356 HydrophobicContact CE2-CG 4.37Å; Y356-G370 PolarHBondContact N-O 2.81Å; Y356-G370 PolarHBondContact O-N 2.6Å; Y356-G370 VanDerWaalsContact O-O 3.11Å; Y356-F372 HydrophobicContact CD1-CB 4.38Å; Y356-F372 HydrophobicContact CE1-CB 4.04Å
357	I	98.8	Very high	97.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.7	167.5	62	167.1	0	0	0	109.7	M228 F229 L255 T259 I366 F368 F369	M228-I357 CarbonylContact C-O 3.53Å; M228-I357 VanDerWaalsContact CA-O 3.28Å; M228-I357 WeakPolarHBondContact CA-O 3.42Å; F229-I357 HydrophobicContact CB-CD1 4.36Å; F229-I357 HydrophobicContact CB-CG1 3.72Å; F229-I357 HydrophobicContact CD2-CD1 4.31Å; F229-I357 HydrophobicContact CD2-CG1 4.14Å; F229-I357 HydrophobicContact CG-CG1 4.28Å; F229-I357 PolarHBondContact N-O 2.87Å; F229-I357 PolarHBondContact O-N 3.16Å; L255-I357 HydrophobicContact CD1-CD1 4.44Å; T259-I357 HydrophobicContact CG2-CD1 3.89Å; I357-I366 HydrophobicContact CB-CG2 4.14Å; I357-I366 HydrophobicContact CD1-CD1 4.44Å; I357-I366 HydrophobicContact CD1-CG1 4.26Å; I357-I366 HydrophobicContact CG2-CD1 4.45Å; I357-I366 HydrophobicContact CG2-CG2 4.19Å; I357-F368 CarbonylContact C-O 3.45Å; I357-F368 WeakPolarHBondContact CA-O 3.36Å; I357-F369 HydrophobicContact CG2-CB 4.45Å; I357-F369 HydrophobicContact CG2-CD1 4.12Å; I357-F369 HydrophobicContact CG2-CD2 3.52Å; I357-F369 HydrophobicContact CG2-CE1 4.22Å; I357-F369 HydrophobicContact CG2-CE2 3.64Å; I357-F369 HydrophobicContact CG2-CG 3.77Å; I357-F369 HydrophobicContact CG2-CZ 3.98Å
358	I	98.8	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116	165.3	-60.3	178.1	0	0	0	107	F167 F221 L226 S227 M228 L324 I367 F368	F167-I358 HydrophobicContact CD1-CD1 3.87Å; F167-I358 HydrophobicContact CE1-CD1 4.09Å; F167-I358 HydrophobicContact CE1-CG2 4.48Å; F221-I358 HydrophobicContact CD2-CG2 4.46Å; F221-I358 HydrophobicContact CE2-CD1 4.14Å; F221-I358 HydrophobicContact CE2-CG1 4.2Å; F221-I358 HydrophobicContact CE2-CG2 3.88Å; F221-I358 HydrophobicContact CZ-CD1 4.1Å; L226-I358 HydrophobicContact CB-CG2 4.16Å; L226-I358 HydrophobicContact CD1-CG2 4.19Å; S227-I358 WeakPolarHBondContact O-CA 3.45Å; M228-I358 HydrophobicContact CB-CG1 4.22Å; M228-I358 HydrophobicContact CE-CD1 3.77Å; M228-I358 HydrophobicContact CE-CG1 3.88Å; M228-I358 HydrophobicContact CG-CG1 4.39Å; L324-I358 HydrophobicContact CD1-CD1 3.53Å; L324-I358 HydrophobicContact CD2-CD1 3.76Å; L324-I358 HydrophobicContact CG-CD1 4.32Å; I358-I367 WeakPolarHBondContact O-CA 3.2Å; I358-I367 WeakPolarHBondContact O-CB 3.26Å; I358-I367 PolarHBondContact O-N 3.45Å; I358-F368 HydrophobicContact CB-CB 4.04Å; I358-F368 HydrophobicContact CB-CD2 3.96Å; I358-F368 HydrophobicContact CD1-CB 4.25Å; I358-F368 HydrophobicContact CD1-CD2 3.9Å; I358-F368 HydrophobicContact CD1-CG 4.41Å; I358-F368 HydrophobicContact CG1-CB 4.3Å; I358-F368 HydrophobicContact CG1-CD2 4.44Å; I358-F368 HydrophobicContact CG2-CD2 4.16Å; I358-F368 PolarHBondContact N-O 3.12Å; I358-F368 PolarHBondContact O-N 2.92Å
359	R	98.1	Very high	98.1	Very high	17 Å²	17	21.4 Å²	21.4	6%	0.064	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.5	-174.5	-173.4	171	68.2	-164.9	0.2	110.5	L226 S227 F229 T259 N361 R364 N365	L226-R359 VanDerWaalsContact CA-O 3.32Å; L226-R359 WeakPolarHBondContact CA-O 3.39Å; S227-R359 PolarHBondContact N-O 2.85Å; S227-R359 PolarHBondContact O-N 2.81Å; F229-R359 HydrophobicContact CD2-CB 4.32Å; F229-R359 HydrophobicContact CE2-CB 4.14Å; T259-R359 PolarHBondContact O-NH1 3.38Å; T259-R359 PolarHBondContact O-NH2 2.89Å; T259-R359 PolarHBondContact OG1-NH1 3.19Å; R359-N361 PolarHBondContact O-N 2.89Å; R359-R364 VanDerWaalsContact CD-O 3.3Å; R359-R364 WeakPolarHBondContact CD-O 3.4Å; R359-R364 WeakPolarHBondContact CG-O 3.45Å; R359-N365 WeakPolarHBondContact CA-O 3.27Å; R359-N365 WeakPolarHBondContact CG-O 3.35Å
360	H	97.8	Very high	98	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.028	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.9	166.3	175.9	-132.1	0	0	0	109.6	D76 L80 H225 L226 K362 T363 R364 N365 I367	D76-H360 IonicContact OD2-CE1 2.79Å; L80-H360 VanDerWaalsContact CD1-CD2 3.5Å; L80-H360 WeakPolarHBondContact CD1-CD2 3.47Å; H225-H360 PolarHBondContact O-CD2 2.9Å; L226-H360 HydrophobicContact CD2-CB 3.8Å; H360-K362 PolarHBondContact O-N 2.85Å; H360-T363 PolarHBondContact ND1-OG1 3.21Å; H360-T363 PolarHBondContact O-N 3.1Å; H360-R364 WeakPolarHBondContact O-CA 3.38Å; H360-R364 PolarHBondContact O-N 2.9Å; H360-N365 PolarHBondContact N-O 3.16Å; H360-I367 HydrophobicContact CB-CD1 3.93Å; H360-I367 HydrophobicContact CB-CG1 3.87Å
361	N	96.1	Very high	98	Very high	42 Å²	42	18.9 Å²	18.9	23%	0.225	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.3	-166.8	-72.9	-20.5	0	0	0	113.3	K224 H225 S227 R359	K224-N361 PolarHBondContact O-ND2 2.99Å; H225-N361 PolarHBondContact O-N 3.12Å; S227-N361 PolarHBondContact OG-ND2 3.41Å; R359-N361 PolarHBondContact O-N 2.89Å
362	K	95.6	Very high	98	Very high	150 Å²	150	17.3 Å²	17.3	65%	0.652	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-45.7	-179.7	179.9	-173.6	173	-158.7	0	112.4	D76 H360	D76-K362 IonicContact OD1-NZ 2.95Å; D76-K362 PolarHBondContact OD1-NZ 2.87Å; D76-K362 WeakPolarHBondContact OD2-CD 3.28Å; D76-K362 WeakPolarHBondContact OD2-CE 3.31Å; D76-K362 IonicContact OD2-NZ 2.72Å; D76-K362 PolarHBondContact OD2-NZ 3.49Å; H360-K362 PolarHBondContact O-N 2.85Å
363	T	95.3	Very high	98	Very high	18 Å²	18	17.1 Å²	17.1	11%	0.11	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.9	-178	67	0	0	0	0	113.3	M1 Q5 V73 H360 N365	M1-T363 HydrophobicContact CE-CG2 4.5Å; Q5-T363 VanDerWaalsContact CG-O 3.31Å; Q5-T363 WeakPolarHBondContact CG-O 3.16Å; V73-T363 HydrophobicContact CG2-CG2 4.32Å; H360-T363 PolarHBondContact ND1-OG1 3.21Å; H360-T363 PolarHBondContact O-N 3.1Å; T363-N365 WeakPolarHBondContact CB-ND2 3.43Å; T363-N365 PolarHBondContact O-N 3.35Å; T363-N365 PolarHBondContact O-ND2 2.77Å; T363-N365 PolarHBondContact OG1-ND2 2.94Å
364	R	96.1	Very high	97.9	Very high	107 Å²	107	18 Å²	18	40%	0.404	8%	0.082	S	C	.	.			trans	53.7	13.8	-171.8	-53.7	-172.2	-51.1	-178.7	5.2	115.7	Q5 R359 H360	Q5-R364 HydrophobicContact CG-CB 3.98Å; Q5-R364 WeakPolarHBondContact CG-O 3.34Å; R359-R364 VanDerWaalsContact CD-O 3.3Å; R359-R364 WeakPolarHBondContact CD-O 3.4Å; R359-R364 WeakPolarHBondContact CG-O 3.45Å; H360-R364 WeakPolarHBondContact O-CA 3.38Å; H360-R364 PolarHBondContact O-N 2.9Å
365	N	98	Very high	97.7	Very high	3 Å²	3	22 Å²	22	2%	0.016	11%	0.108	C	C	.	.			trans	-73.9	140.2	178.1	-79.4	-98.1	0	0	0	110.5	N8 I33 R359 H360 T363 I367	N8-N365 PolarHBondContact ND2-OD1 2.59Å; I33-N365 HydrophobicContact CD1-CB 4.25Å; R359-N365 WeakPolarHBondContact CA-O 3.27Å; R359-N365 WeakPolarHBondContact CG-O 3.35Å; H360-N365 PolarHBondContact N-O 3.16Å; T363-N365 WeakPolarHBondContact CB-ND2 3.43Å; T363-N365 PolarHBondContact O-N 3.35Å; T363-N365 PolarHBondContact O-ND2 2.77Å; T363-N365 PolarHBondContact OG1-ND2 2.94Å; N365-I367 PolarHBondContact O-N 2.89Å
366	I	98.6	Very high	97.6	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.041	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.8	173.3	-58.5	170.5	0	0	0	107.6	A12 P32 L255 I357 F368 F369	A12-I366 HydrophobicContact CB-CD1 4.2Å; P32-I366 HydrophobicContact CG-CB 4.08Å; P32-I366 HydrophobicContact CG-CG2 3.74Å; L255-I366 HydrophobicContact CD2-CD1 3.64Å; I357-I366 HydrophobicContact CB-CG2 4.14Å; I357-I366 HydrophobicContact CD1-CD1 4.44Å; I357-I366 HydrophobicContact CD1-CG1 4.26Å; I357-I366 HydrophobicContact CG2-CD1 4.45Å; I357-I366 HydrophobicContact CG2-CG2 4.19Å; I366-F368 VanDerWaalsContact CG2-O 3.31Å; I366-F368 WeakPolarHBondContact CG2-O 3.23Å; I366-F369 HydrophobicContact CD1-CD1 4.35Å; I366-F369 HydrophobicContact CD1-CE1 4.41Å; I366-F369 HydrophobicContact CG2-CB 4.04Å; I366-F369 HydrophobicContact CG2-CD1 4.33Å; I366-F369 HydrophobicContact CG2-CG 4.43Å
367	I	98.6	Very high	97.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-44.6	179	-55.1	-57	0	0	0	110.5	S31 I33 V77 L88 L226 I358 H360 N365	S31-I367 VanDerWaalsContact CA-O 3.29Å; S31-I367 WeakPolarHBondContact CA-O 3.49Å; S31-I367 WeakPolarHBondContact CB-O 3.36Å; S31-I367 PolarHBondContact OG-O 2.56Å; I33-I367 HydrophobicContact CG2-CD1 3.94Å; I33-I367 HydrophobicContact CG2-CG2 4.42Å; V77-I367 HydrophobicContact CG2-CD1 4.04Å; L88-I367 HydrophobicContact CD1-CG2 3.59Å; L88-I367 HydrophobicContact CD2-CG2 4.04Å; L88-I367 HydrophobicContact CG-CG2 4.35Å; L226-I367 HydrophobicContact CD2-CG1 4.19Å; I358-I367 WeakPolarHBondContact O-CA 3.2Å; I358-I367 WeakPolarHBondContact O-CB 3.26Å; I358-I367 PolarHBondContact O-N 3.45Å; H360-I367 HydrophobicContact CB-CD1 3.93Å; H360-I367 HydrophobicContact CB-CG1 3.87Å; N365-I367 PolarHBondContact O-N 2.89Å
368	F	98.9	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.5	173.3	-58.2	-78.1	0	0	0	109.5	L29 F30 L86 L88 A165 F167 V322 I357 I358 I366	L29-F368 HydrophobicContact CD1-CB 4.32Å; L29-F368 HydrophobicContact CD1-CD1 4.48Å; F30-F368 WeakPolarHBondContact O-CA 3.34Å; L86-F368 HydrophobicContact CD1-CE2 3.77Å; L86-F368 HydrophobicContact CD1-CZ 3.83Å; L88-F368 HydrophobicContact CD2-CE1 4.16Å; L88-F368 HydrophobicContact CD2-CE2 4.48Å; L88-F368 HydrophobicContact CD2-CZ 3.74Å; A165-F368 HydrophobicContact CB-CE1 3.96Å; A165-F368 HydrophobicContact CB-CZ 4.47Å; F167-F368 HydrophobicContact CB-CD2 4.43Å; F167-F368 HydrophobicContact CB-CE2 3.48Å; F167-F368 VanDerWaalsContact CB-CE2 3.48Å; F167-F368 HydrophobicContact CB-CZ 3.63Å; F167-F368 HydrophobicContact CD1-CD2 4.42Å; F167-F368 HydrophobicContact CD1-CE2 4.05Å; F167-F368 HydrophobicContact CG-CE2 4.03Å; V322-F368 HydrophobicContact CG1-CD1 3.61Å; V322-F368 HydrophobicContact CG1-CE1 3.6Å; I357-F368 CarbonylContact C-O 3.45Å; I357-F368 WeakPolarHBondContact CA-O 3.36Å; I358-F368 HydrophobicContact CB-CB 4.04Å; I358-F368 HydrophobicContact CB-CD2 3.96Å; I358-F368 HydrophobicContact CD1-CB 4.25Å; I358-F368 HydrophobicContact CD1-CD2 3.9Å; I358-F368 HydrophobicContact CD1-CG 4.41Å; I358-F368 HydrophobicContact CG1-CB 4.3Å; I358-F368 HydrophobicContact CG1-CD2 4.44Å; I358-F368 HydrophobicContact CG2-CD2 4.16Å; I358-F368 PolarHBondContact N-O 3.12Å; I358-F368 PolarHBondContact O-N 2.92Å; I366-F368 VanDerWaalsContact CG2-O 3.31Å; I366-F368 WeakPolarHBondContact CG2-O 3.23Å
369	F	98.9	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.4	174.5	-157.3	156.4	0	0	0	107.6	A12 V13 F16 L29 F30 P32 L250 L255 I355 I357 I366	A12-F369 HydrophobicContact CB-CD1 4.09Å; A12-F369 HydrophobicContact CB-CE1 4.49Å; V13-F369 HydrophobicContact CG2-CE1 4.05Å; F16-F369 HydrophobicContact CB-CD1 4.08Å; F16-F369 HydrophobicContact CB-CE1 3.95Å; F16-F369 HydrophobicContact CB-CE2 4.45Å; F16-F369 HydrophobicContact CB-CG 4.42Å; F16-F369 HydrophobicContact CB-CZ 4.16Å; F16-F369 HydrophobicContact CD1-CE1 4.5Å; F16-F369 AromaticContact CD1-CE2 3.91Å; F16-F369 HydrophobicContact CD1-CE2 3.91Å; F16-F369 AromaticContact CD1-CZ 3.87Å; F16-F369 HydrophobicContact CD1-CZ 3.87Å; F16-F369 AromaticContact CD2-CD2 3.59Å; F16-F369 HydrophobicContact CD2-CD2 3.59Å; F16-F369 AromaticContact CD2-CE2 3.71Å; F16-F369 HydrophobicContact CD2-CE2 3.71Å; F16-F369 HydrophobicContact CD2-CG 4.04Å; F16-F369 HydrophobicContact CD2-CZ 4.25Å; F16-F369 HydrophobicContact CE1-CE2 4.02Å; F16-F369 HydrophobicContact CE1-CZ 4.32Å; F16-F369 AromaticContact CE2-CD2 3.81Å; F16-F369 HydrophobicContact CE2-CD2 3.81Å; F16-F369 AromaticContact CE2-CE2 3.82Å; F16-F369 HydrophobicContact CE2-CE2 3.82Å; F16-F369 HydrophobicContact CG-CD1 4.34Å; F16-F369 HydrophobicContact CG-CD2 4Å; F16-F369 HydrophobicContact CG-CE1 4.12Å; F16-F369 AromaticContact CG-CE2 3.74Å; F16-F369 HydrophobicContact CG-CE2 3.74Å; F16-F369 HydrophobicContact CG-CG 4.32Å; F16-F369 AromaticContact CG-CZ 3.82Å; F16-F369 HydrophobicContact CG-CZ 3.82Å; F16-F369 HydrophobicContact CZ-CD2 4.41Å; F16-F369 AromaticContact CZ-CE2 3.97Å; F16-F369 HydrophobicContact CZ-CE2 3.97Å; L29-F369 WeakPolarHBondContact CA-O 3.08Å; F30-F369 HydrophobicContact CD1-CB 4.25Å; F30-F369 WeakPolarHBondContact CD1-O 3.42Å; F30-F369 HydrophobicContact CE1-CB 3.7Å; F30-F369 HydrophobicContact CE1-CD1 4.47Å; F30-F369 HydrophobicContact CE1-CG 4.2Å; F30-F369 HydrophobicContact CZ-CB 4.12Å; F30-F369 HydrophobicContact CZ-CD1 4.44Å; F30-F369 PolarHBondContact N-O 3.45Å; F30-F369 PolarHBondContact O-N 3.06Å; P32-F369 HydrophobicContact CG-CB 4.31Å; L250-F369 HydrophobicContact CD2-CZ 4.18Å; L255-F369 HydrophobicContact CD2-CE1 3.9Å; L255-F369 HydrophobicContact CD2-CZ 4.01Å; I355-F369 HydrophobicContact CG2-CD2 4.47Å; I355-F369 HydrophobicContact CG2-CE2 3.68Å; I357-F369 HydrophobicContact CG2-CB 4.45Å; I357-F369 HydrophobicContact CG2-CD1 4.12Å; I357-F369 HydrophobicContact CG2-CD2 3.52Å; I357-F369 HydrophobicContact CG2-CE1 4.22Å; I357-F369 HydrophobicContact CG2-CE2 3.64Å; I357-F369 HydrophobicContact CG2-CG 3.77Å; I357-F369 HydrophobicContact CG2-CZ 3.98Å; I366-F369 HydrophobicContact CD1-CD1 4.35Å; I366-F369 HydrophobicContact CD1-CE1 4.41Å; I366-F369 HydrophobicContact CG2-CB 4.04Å; I366-F369 HydrophobicContact CG2-CD1 4.33Å; I366-F369 HydrophobicContact CG2-CG 4.43Å
370	G	98.6	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	173.8	175.8	0	0	0	0	0	115.4	V28 Y356	V28-G370 CarbonylContact O-C 3.58Å; V28-G370 WeakPolarHBondContact O-CA 3.33Å; Y356-G370 PolarHBondContact N-O 2.81Å; Y356-G370 PolarHBondContact O-N 2.6Å; Y356-G370 VanDerWaalsContact O-O 3.11Å
371	K	98.3	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.7	172.3	-174.1	172.2	84	154.2	0	107	F16 P24 N27 V28 L243 E247 F354 I355 C373	F16-K371 HydrophobicContact CE2-CB 4.13Å; F16-K371 HydrophobicContact CZ-CB 4.08Å; P24-K371 PolarHBondContact O-NZ 3.43Å; N27-K371 VanDerWaalsContact CA-O 3.26Å; N27-K371 WeakPolarHBondContact CA-O 3.35Å; V28-K371 HydrophobicContact CB-CB 4.14Å; V28-K371 PolarHBondContact N-O 2.93Å; V28-K371 PolarHBondContact O-N 3.43Å; L243-K371 HydrophobicContact CD1-CD 3.5Å; L243-K371 VanDerWaalsContact CD1-CD 3.5Å; L243-K371 HydrophobicContact CD1-CG 3.56Å; E247-K371 WeakPolarHBondContact OE1-CD 3.2Å; E247-K371 WeakPolarHBondContact OE1-CE 3.25Å; E247-K371 IonicContact OE1-NZ 2.72Å; E247-K371 PolarHBondContact OE1-NZ 2.78Å; F354-K371 WeakPolarHBondContact O-CA 3.44Å; I355-K371 HydrophobicContact CG1-CG 4.29Å; K371-C373 WeakPolarHBondContact CE-SG 3.47Å
372	F	98.7	Very high	97.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109	174.1	-172.1	-93	0	0	0	108.1	N27 F185 P274 F276 V278 P353 F354 Y356 P375	N27-F372 WeakPolarHBondContact OD1-CA 3.47Å; F185-F372 HydrophobicContact CD2-CE1 4.07Å; F185-F372 HydrophobicContact CE1-CD1 4.36Å; F185-F372 HydrophobicContact CE1-CE1 4.22Å; F185-F372 AromaticContact CE2-CD1 3.75Å; F185-F372 HydrophobicContact CE2-CD1 3.75Å; F185-F372 AromaticContact CE2-CE1 3.57Å; F185-F372 HydrophobicContact CE2-CE1 3.57Å; F185-F372 AromaticContact CZ-CD1 3.55Å; F185-F372 HydrophobicContact CZ-CD1 3.55Å; F185-F372 AromaticContact CZ-CE1 3.65Å; F185-F372 HydrophobicContact CZ-CE1 3.65Å; P274-F372 HydrophobicContact CB-CE1 4.2Å; P274-F372 HydrophobicContact CB-CZ 4.34Å; P274-F372 HydrophobicContact CG-CD1 4.18Å; P274-F372 HydrophobicContact CG-CE1 3.83Å; P274-F372 HydrophobicContact CG-CZ 4.29Å; F276-F372 HydrophobicContact CB-CD2 4.37Å; F276-F372 HydrophobicContact CB-CE2 3.59Å; F276-F372 HydrophobicContact CB-CZ 4.12Å; F276-F372 HydrophobicContact CD1-CD2 4.26Å; F276-F372 HydrophobicContact CD1-CE2 4.16Å; F276-F372 HydrophobicContact CD2-CD2 4.28Å; F276-F372 HydrophobicContact CD2-CE2 4.3Å; F276-F372 HydrophobicContact CG-CD2 4.06Å; F276-F372 AromaticContact CG-CE2 3.78Å; F276-F372 HydrophobicContact CG-CE2 3.78Å; V278-F372 HydrophobicContact CG2-CD2 4.25Å; V278-F372 HydrophobicContact CG2-CE2 4.41Å; P353-F372 WeakPolarHBondContact CA-O 3.14Å; F354-F372 HydrophobicContact CD1-CB 4.49Å; F354-F372 HydrophobicContact CD1-CD1 4.47Å; F354-F372 HydrophobicContact CD2-CB 4.21Å; F354-F372 HydrophobicContact CE1-CB 4.02Å; F354-F372 AromaticContact CE1-CD1 3.67Å; F354-F372 HydrophobicContact CE1-CD1 3.67Å; F354-F372 HydrophobicContact CE1-CG 4.14Å; F354-F372 HydrophobicContact CE2-CB 3.71Å; F354-F372 HydrophobicContact CE2-CG 4.43Å; F354-F372 HydrophobicContact CZ-CB 3.6Å; F354-F372 AromaticContact CZ-CD1 3.82Å; F354-F372 HydrophobicContact CZ-CD1 3.82Å; F354-F372 AromaticContact CZ-CG 3.85Å; F354-F372 HydrophobicContact CZ-CG 3.85Å; F354-F372 PolarHBondContact N-O 3.43Å; F354-F372 PolarHBondContact O-N 3.25Å; Y356-F372 HydrophobicContact CD1-CB 4.38Å; Y356-F372 HydrophobicContact CE1-CB 4.04Å; F372-P375 HydrophobicContact CZ-CB 4.28Å
373	C	97.7	Very high	97.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.02	10%	0.099	C	C	.	.			trans	-110	-23.3	-178.4	-76	0	0	0	0	113.5	L25 N27 F185 T241 P353 K371	L25-C373 WeakPolarHBondContact O-CB 3.27Å; N27-C373 PolarHBondContact OD1-N 3.47Å; F185-C373 WeakPolarHBondContact CE1-O 3.06Å; T241-C373 HydrophobicContact CG2-CB 4.29Å; P353-C373 HydrophobicContact CB-CB 4.45Å; K371-C373 WeakPolarHBondContact CE-SG 3.47Å
374	S	96.5	Very high	97.8	Very high	18 Å²	18	18.9 Å²	18.9	13%	0.126	10%	0.098	C	C	.	.			trans	-155.4	144	179.5	173.9	0	0	0	0	109.9	N27 K193	N27-S374 PolarHBondContact ND2-O 2.65Å; N27-S374 PolarHBondContact OD1-N 3.38Å; N27-S374 PolarHBondContact OD1-O 2.85Å; K193-S374 WeakPolarHBondContact CD-OG 3.13Å; K193-S374 PolarHBondContact NZ-OG 3.06Å
375	P	94.2	Very high	97.9	Very high	86 Å²	86	10.9 Å²	10.9	56%	0.558	7%	0.07	S	C	*	.			trans	-62	0	163.3	29.6	-35.3	0	0	0	112.2	F185 K193 V195 F372	F185-P375 HydrophobicContact CB-CG 4.45Å; K193-P375 HydrophobicContact CB-CG 3.75Å; K193-P375 HydrophobicContact CD-CG 4.46Å; V195-P375 HydrophobicContact CB-CB 3.98Å; V195-P375 HydrophobicContact CB-CG 4.17Å; V195-P375 HydrophobicContact CG2-CB 3.79Å; V195-P375 HydrophobicContact CG2-CG 4.48Å; F372-P375 HydrophobicContact CZ-CB 4.28Å

Retrieved 375 of 375 residues in 723.2 ms (Link to these results)

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