A0A096NMC6_PAPAN Loading...

Maspardin

May play a role as a negative regulatory factor in CD4-dependent T-cell activation.

AlphaFold DB (A0A0D9RJN8), UniProt , Accession A0A096NMC6, Species PAPAN (Papio anubis, Olive baboon), Gene SPG21, Length 308 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	52.3	Low	87.5	Confident	198 Å²	198	75.7 Å²	75.7	98%	0.975	43%	0.427	S	S	*	.				0	140.6	0	-86.8	167.6	173.4	0	0	106.3	M176	M1-M176 HydrophobicContact SD-CG 4.4Å; M1-M176 HydrophobicContact SD-SD 4.45Å
2	G	66.8	Low	88.2	Confident	56 Å²	56	84 Å²	84	58%	0.577	45%	0.447	S	S	*	.			trans	-97.1	167.6	-175.9	0	0	0	0	0	111.5	I4	G2-I4 PolarHBondContact O-N 3.38Å
3	E	86.3	Confident	89	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	41%	0.412	S	S	.	.			trans	-39.4	121.8	178.3	-165.5	-176.7	172.6	0	0	112.8	K5 V6 S7	E3-K5 HydrophobicContact CG-CB 4.35Å; E3-K5 PolarHBondContact O-N 3.32Å; E3-K5 VanDerWaalsContact O-N 3.08Å; E3-V6 HydrophobicContact CB-CG2 4.09Å; E3-V6 PolarHBondContact O-N 3.31Å; E3-V6 VanDerWaalsContact O-N 3.08Å; E3-S7 PolarHBondContact O-N 2.65Å
4	I	93.8	Very high	89.5	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.026	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-53	-38.2	-174.6	-69.8	176.1	0	0	0	111.8	G2 V6 S7 Y10 F60 D179 A180 F183 L259	G2-I4 PolarHBondContact O-N 3.38Å; I4-V6 PolarHBondContact O-N 3.34Å; I4-S7 VanDerWaalsContact O-CB 3.26Å; I4-S7 WeakPolarHBondContact O-CB 3.38Å; I4-S7 PolarHBondContact O-N 3.06Å; I4-S7 PolarHBondContact O-OG 3.35Å; I4-Y10 VanDerWaalsContact O-CB 3.26Å; I4-Y10 WeakPolarHBondContact O-CB 3.44Å; I4-F60 HydrophobicContact CG2-CE1 3.57Å; I4-F60 HydrophobicContact CG2-CZ 3.61Å; I4-D179 HydrophobicContact CD1-CB 4.36Å; I4-D179 HydrophobicContact CG1-CB 4.18Å; I4-A180 HydrophobicContact CD1-CB 4.43Å; I4-F183 HydrophobicContact CB-CB 3.98Å; I4-F183 HydrophobicContact CB-CD2 3.78Å; I4-F183 HydrophobicContact CB-CG 3.95Å; I4-F183 HydrophobicContact CD1-CB 4.05Å; I4-F183 HydrophobicContact CD1-CG 4.42Å; I4-F183 HydrophobicContact CG1-CB 4.49Å; I4-F183 HydrophobicContact CG2-CB 4.28Å; I4-F183 HydrophobicContact CG2-CD1 4.24Å; I4-F183 HydrophobicContact CG2-CD2 3.47Å; I4-F183 VanDerWaalsContact CG2-CD2 3.47Å; I4-F183 HydrophobicContact CG2-CE2 3.78Å; I4-F183 HydrophobicContact CG2-CG 3.72Å; I4-F183 HydrophobicContact CG2-CZ 4.3Å; I4-L259 HydrophobicContact CD1-CD2 4.39Å
5	K	91	Very high	89.9	Confident	84 Å²	84	80.2 Å²	80.2	37%	0.365	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-60	-28.7	-177.4	176.7	171.2	171.1	-168.1	0	114.4	E3 Y10 F183 D186	E3-K5 HydrophobicContact CG-CB 4.35Å; E3-K5 PolarHBondContact O-N 3.32Å; E3-K5 VanDerWaalsContact O-N 3.08Å; K5-Y10 WeakPolarHBondContact O-CD1 3.42Å; K5-F183 HydrophobicContact CB-CD2 4.27Å; K5-D186 WeakPolarHBondContact CD-OD2 3.22Å; K5-D186 WeakPolarHBondContact CE-OD2 3.32Å; K5-D186 IonicContact NZ-OD2 3.65Å; K5-D186 PolarHBondContact NZ-OD2 2.86Å
6	V	92.6	Very high	90.2	Very high	91 Å²	91	79.3 Å²	79.3	55%	0.552	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-108.3	7.2	177.4	-58.1	0	0	0	0	112.3	E3 I4 N11	E3-V6 HydrophobicContact CB-CG2 4.09Å; E3-V6 PolarHBondContact O-N 3.31Å; E3-V6 VanDerWaalsContact O-N 3.08Å; I4-V6 PolarHBondContact O-N 3.34Å; V6-N11 PolarHBondContact O-ND2 3.02Å
7	S	95.4	Very high	90.6	Very high	16 Å²	16	75.6 Å²	75.6	11%	0.112	42%	0.415	C	S	.	.			trans	-66.1	146.1	179.9	72	0	0	0	0	112	E3 I4 D9 Y10 N11	E3-S7 PolarHBondContact O-N 2.65Å; I4-S7 VanDerWaalsContact O-CB 3.26Å; I4-S7 WeakPolarHBondContact O-CB 3.38Å; I4-S7 PolarHBondContact O-N 3.06Å; I4-S7 PolarHBondContact O-OG 3.35Å; S7-D9 VanDerWaalsContact C-N 3.29Å; S7-D9 PolarHBondContact O-N 3.34Å; S7-Y10 PolarHBondContact O-N 2.84Å; S7-Y10 VanDerWaalsContact OG-CB 3.26Å; S7-Y10 WeakPolarHBondContact OG-CB 3.33Å; S7-Y10 PolarHBondContact OG-N 2.73Å; S7-N11 PolarHBondContact O-N 3.09Å; S7-N11 PolarHBondContact O-ND2 3.41Å
8	P	95.8	Very high	90.9	Very high	106 Å²	106	76.1 Å²	76.1	69%	0.688	42%	0.423	S	S	*	.	H	α-helix	trans	-54.8	-43.2	176.6	-27.3	35.3	0	0	0	113	Y10 N11 W12	P8-Y10 PolarHBondContact O-N 3.41Å; P8-N11 PolarHBondContact O-N 3.38Å; P8-W12 VanDerWaalsContact O-CB 3.27Å; P8-W12 WeakPolarHBondContact O-CB 3.48Å; P8-W12 PolarHBondContact O-N 3.45Å
9	D	95.3	Very high	91.3	Very high	83 Å²	83	76 Å²	76	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-62	-45.2	-179.9	-63	-12.6	0	0	0	112	S7 W12 F13 F60 R61 L64	S7-D9 VanDerWaalsContact C-N 3.29Å; S7-D9 PolarHBondContact O-N 3.34Å; D9-W12 PolarHBondContact O-N 2.94Å; D9-F13 WeakPolarHBondContact O-CB 3.24Å; D9-F13 PolarHBondContact O-N 3.41Å; D9-F60 HydrophobicContact CB-CE2 4.1Å; D9-R61 IonicContact OD2-NH1 3.38Å; D9-L64 HydrophobicContact CB-CD1 4.16Å
10	Y	97.1	Very high	91.6	Very high	11 Å²	11	75.8 Å²	75.8	4%	0.043	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-41.4	-179.7	-177.9	-107.3	0	0	0	111.5	I4 K5 S7 P8 F13 R14 D57 F60 F183 R187	I4-Y10 VanDerWaalsContact O-CB 3.26Å; I4-Y10 WeakPolarHBondContact O-CB 3.44Å; K5-Y10 WeakPolarHBondContact O-CD1 3.42Å; S7-Y10 PolarHBondContact O-N 2.84Å; S7-Y10 VanDerWaalsContact OG-CB 3.26Å; S7-Y10 WeakPolarHBondContact OG-CB 3.33Å; S7-Y10 PolarHBondContact OG-N 2.73Å; P8-Y10 PolarHBondContact O-N 3.41Å; Y10-F13 HydrophobicContact CD2-CD1 4.35Å; Y10-F13 HydrophobicContact CE2-CD1 4.34Å; Y10-F13 WeakPolarHBondContact O-CB 3.42Å; Y10-F13 PolarHBondContact O-N 3.42Å; Y10-R14 HydrophobicContact CD1-CG 4.34Å; Y10-R14 HydrophobicContact CE1-CG 3.94Å; Y10-R14 HydrophobicContact CE2-CG 4.17Å; Y10-R14 WeakPolarHBondContact O-CB 3.37Å; Y10-R14 VanDerWaalsContact O-CG 3.29Å; Y10-R14 WeakPolarHBondContact O-CG 3.49Å; Y10-R14 PolarHBondContact O-N 3.05Å; Y10-D57 HydrophobicContact CE2-CB 4.18Å; Y10-D57 PolarHBondContact OH-OD2 2.8Å; Y10-F60 HydrophobicContact CD2-CB 4.35Å; Y10-F60 AromaticContact CD2-CD1 3.84Å; Y10-F60 HydrophobicContact CD2-CD1 3.84Å; Y10-F60 HydrophobicContact CD2-CD2 4.04Å; Y10-F60 HydrophobicContact CD2-CE1 4.09Å; Y10-F60 HydrophobicContact CD2-CE2 4.29Å; Y10-F60 AromaticContact CD2-CG 3.8Å; Y10-F60 HydrophobicContact CD2-CG 3.8Å; Y10-F60 HydrophobicContact CD2-CZ 4.32Å; Y10-F60 HydrophobicContact CE2-CD1 4.42Å; Y10-F183 HydrophobicContact CD1-CE2 4.49Å; Y10-F183 HydrophobicContact CD2-CE2 4.18Å; Y10-F183 HydrophobicContact CD2-CZ 4.06Å; Y10-F183 HydrophobicContact CE1-CE2 4.14Å; Y10-F183 AromaticContact CE2-CE2 3.82Å; Y10-F183 HydrophobicContact CE2-CE2 3.82Å; Y10-F183 AromaticContact CE2-CZ 3.52Å; Y10-F183 HydrophobicContact CE2-CZ 3.52Å; Y10-F183 AromaticContact CZ-CE2 3.8Å; Y10-F183 AromaticContact CZ-CZ 3.84Å; Y10-R187 PolarHBondContact OH-NH1 2.85Å
11	N	96.4	Very high	91.9	Very high	87 Å²	87	79.2 Å²	79.2	47%	0.465	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-42.3	174.6	-73.9	-34.6	0	0	0	111.8	V6 S7 P8 R14 G15	V6-N11 PolarHBondContact O-ND2 3.02Å; S7-N11 PolarHBondContact O-N 3.09Å; S7-N11 PolarHBondContact O-ND2 3.41Å; P8-N11 PolarHBondContact O-N 3.38Å; N11-R14 PolarHBondContact O-N 2.97Å; N11-G15 PolarHBondContact O-N 2.96Å
12	W	96.2	Very high	94.1	Very high	175 Å²	175	70.7 Å²	70.7	66%	0.663	38%	0.384	S	S	*	.	H	α-helix	trans	-60.9	-47.7	174.9	178.9	-98.7	0	0	0	111.6	P8 D9 R14 G15 T16	P8-W12 VanDerWaalsContact O-CB 3.27Å; P8-W12 WeakPolarHBondContact O-CB 3.48Å; P8-W12 PolarHBondContact O-N 3.45Å; D9-W12 PolarHBondContact O-N 2.94Å; W12-R14 VanDerWaalsContact C-N 3.35Å; W12-R14 PolarHBondContact O-N 2.98Å; W12-G15 PolarHBondContact O-N 3.22Å; W12-G15 VanDerWaalsContact O-N 3.15Å; W12-T16 HydrophobicContact CD2-CG2 3.92Å; W12-T16 HydrophobicContact CE3-CG2 4.36Å; W12-T16 HydrophobicContact CG-CG2 4.41Å; W12-T16 HydrophobicContact CH2-CG2 4.2Å; W12-T16 HydrophobicContact CZ2-CG2 3.73Å; W12-T16 HydrophobicContact CZ3-CG2 4.49Å; W12-T16 WeakPolarHBondContact O-CB 3.49Å; W12-T16 WeakPolarHBondContact O-CG2 2.96Å; W12-T16 PolarHBondContact O-N 3.35Å; W12-T16 PolarHBondContact O-OG1 3Å
13	F	97.5	Very high	95.6	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-54.9	-50.1	175.1	164.2	-105.5	0	0	0	111.7	D9 Y10 G15 T16 V17 Y35 D57 F60 I63 L64	D9-F13 WeakPolarHBondContact O-CB 3.24Å; D9-F13 PolarHBondContact O-N 3.41Å; Y10-F13 HydrophobicContact CD2-CD1 4.35Å; Y10-F13 HydrophobicContact CE2-CD1 4.34Å; Y10-F13 WeakPolarHBondContact O-CB 3.42Å; Y10-F13 PolarHBondContact O-N 3.42Å; F13-G15 PolarHBondContact O-N 3.39Å; F13-T16 PolarHBondContact O-N 3.42Å; F13-T16 PolarHBondContact O-OG1 3.15Å; F13-V17 HydrophobicContact CD2-CB 3.97Å; F13-V17 HydrophobicContact CD2-CG2 3.79Å; F13-V17 HydrophobicContact CE2-CB 3.78Å; F13-V17 HydrophobicContact CE2-CG1 4.18Å; F13-V17 HydrophobicContact CE2-CG2 3.99Å; F13-V17 PolarHBondContact O-N 3Å; F13-Y35 HydrophobicContact CE1-CD1 4.37Å; F13-Y35 HydrophobicContact CE1-CD2 4.41Å; F13-Y35 AromaticContact CE1-CE1 3.96Å; F13-Y35 HydrophobicContact CE1-CE1 3.96Å; F13-Y35 HydrophobicContact CE1-CE2 4.03Å; F13-Y35 AromaticContact CE1-CZ 3.76Å; F13-Y35 HydrophobicContact CE2-CD1 4.14Å; F13-Y35 HydrophobicContact CE2-CE1 4.49Å; F13-Y35 HydrophobicContact CE2-CG 4.17Å; F13-Y35 AromaticContact CZ-CD1 3.6Å; F13-Y35 HydrophobicContact CZ-CD1 3.6Å; F13-Y35 AromaticContact CZ-CD2 3.65Å; F13-Y35 HydrophobicContact CZ-CD2 3.65Å; F13-Y35 AromaticContact CZ-CE1 3.65Å; F13-Y35 HydrophobicContact CZ-CE1 3.65Å; F13-Y35 AromaticContact CZ-CE2 3.73Å; F13-Y35 HydrophobicContact CZ-CE2 3.73Å; F13-Y35 AromaticContact CZ-CG 3.57Å; F13-Y35 HydrophobicContact CZ-CG 3.57Å; F13-Y35 AromaticContact CZ-CZ 3.7Å; F13-D57 HydrophobicContact CE1-CB 3.82Å; F13-D57 HydrophobicContact CZ-CB 4.48Å; F13-F60 HydrophobicContact CB-CB 4.26Å; F13-F60 HydrophobicContact CB-CD2 4.37Å; F13-F60 HydrophobicContact CD1-CB 3.47Å; F13-F60 VanDerWaalsContact CD1-CB 3.47Å; F13-F60 HydrophobicContact CD1-CG 4.4Å; F13-F60 HydrophobicContact CD2-CB 4.02Å; F13-F60 HydrophobicContact CE1-CB 3.69Å; F13-F60 HydrophobicContact CE2-CB 4.21Å; F13-F60 HydrophobicContact CG-CB 3.63Å; F13-F60 HydrophobicContact CZ-CB 4.04Å; F13-I63 HydrophobicContact CD2-CG2 4.33Å; F13-I63 HydrophobicContact CE2-CB 4.17Å; F13-I63 HydrophobicContact CE2-CD1 3.55Å; F13-I63 HydrophobicContact CE2-CG1 4.48Å; F13-I63 HydrophobicContact CE2-CG2 3.97Å; F13-I63 HydrophobicContact CZ-CD1 3.8Å; F13-L64 HydrophobicContact CB-CD1 4.09Å; F13-L64 HydrophobicContact CB-CD2 4.1Å; F13-L64 HydrophobicContact CB-CG 4.21Å; F13-L64 HydrophobicContact CD2-CD2 4.4Å
14	R	96	Very high	96.1	Very high	125 Å²	125	68.6 Å²	68.6	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-29.5	179.4	-72.6	-69.7	-61	-170.9	-5.1	113.2	Y10 N11 W12 Y35	Y10-R14 HydrophobicContact CD1-CG 4.34Å; Y10-R14 HydrophobicContact CE1-CG 3.94Å; Y10-R14 HydrophobicContact CE2-CG 4.17Å; Y10-R14 WeakPolarHBondContact O-CB 3.37Å; Y10-R14 VanDerWaalsContact O-CG 3.29Å; Y10-R14 WeakPolarHBondContact O-CG 3.49Å; Y10-R14 PolarHBondContact O-N 3.05Å; N11-R14 PolarHBondContact O-N 2.97Å; W12-R14 VanDerWaalsContact C-N 3.35Å; W12-R14 PolarHBondContact O-N 2.98Å; R14-Y35 PolarHBondContact NH1-OH 3.21Å
15	G	95.4	Very high	96.3	Very high	70 Å²	70	69.2 Å²	69.2	72%	0.722	37%	0.366	S	S	*	.	H	α-helix	trans	-83.7	-19.5	177.2	0	0	0	0	0	114.8	N11 W12 F13	N11-G15 PolarHBondContact O-N 2.96Å; W12-G15 PolarHBondContact O-N 3.22Å; W12-G15 VanDerWaalsContact O-N 3.15Å; F13-G15 PolarHBondContact O-N 3.39Å
16	T	95	Very high	96.4	Very high	66 Å²	66	73.4 Å²	73.4	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-114.4	-30.3	-171.2	54	0	0	0	0	114.4	W12 F13	W12-T16 HydrophobicContact CD2-CG2 3.92Å; W12-T16 HydrophobicContact CE3-CG2 4.36Å; W12-T16 HydrophobicContact CG-CG2 4.41Å; W12-T16 HydrophobicContact CH2-CG2 4.2Å; W12-T16 HydrophobicContact CZ2-CG2 3.73Å; W12-T16 HydrophobicContact CZ3-CG2 4.49Å; W12-T16 WeakPolarHBondContact O-CB 3.49Å; W12-T16 WeakPolarHBondContact O-CG2 2.96Å; W12-T16 PolarHBondContact O-N 3.35Å; W12-T16 PolarHBondContact O-OG1 3Å; F13-T16 PolarHBondContact O-N 3.42Å; F13-T16 PolarHBondContact O-OG1 3.15Å
17	V	96.6	Very high	96.4	Very high	16 Å²	16	72.1 Å²	72.1	10%	0.097	38%	0.383	C	S	.	.	S	Bend	trans	-108.7	107.1	-179.7	-167.5	0	0	0	0	109.2	F13 Y35 A37 I63	F13-V17 HydrophobicContact CD2-CB 3.97Å; F13-V17 HydrophobicContact CD2-CG2 3.79Å; F13-V17 HydrophobicContact CE2-CB 3.78Å; F13-V17 HydrophobicContact CE2-CG1 4.18Å; F13-V17 HydrophobicContact CE2-CG2 3.99Å; F13-V17 PolarHBondContact O-N 3Å; V17-Y35 HydrophobicContact CB-CD1 4.27Å; V17-Y35 HydrophobicContact CG1-CD1 3.91Å; V17-Y35 HydrophobicContact CG1-CG 4.37Å; V17-Y35 WeakPolarHBondContact O-CD1 3.39Å; V17-Y35 WeakPolarHBondContact O-CE1 3.47Å; V17-A37 HydrophobicContact CG1-CB 3.96Å; V17-A37 HydrophobicContact CG2-CB 4.46Å; V17-I63 HydrophobicContact CG2-CG2 4.38Å
18	P	97	Very high	96.2	Very high	85 Å²	85	77.2 Å²	77.2	55%	0.552	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-71.9	138.2	-175.7	28.4	-34.4	0	0	0	111.6	K20	P18-K20 PolarHBondContact O-N 2.85Å
19	L	97.9	Very high	96.2	Very high	74 Å²	74	76 Å²	76	39%	0.387	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-73.9	119.3	168.9	-176.9	69.4	0	0	0	109.3	Y35	L19-Y35 HydrophobicContact CB-CD1 4.45Å; L19-Y35 HydrophobicContact CB-CE1 3.81Å; L19-Y35 HydrophobicContact CD1-CD1 4.45Å; L19-Y35 HydrophobicContact CD1-CD2 4.2Å; L19-Y35 HydrophobicContact CD1-CE1 4.07Å; L19-Y35 HydrophobicContact CD1-CE2 3.77Å
20	K	97.9	Very high	96.2	Very high	72 Å²	72	73.2 Å²	73.2	31%	0.313	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	147.6	174.6	-60.5	-178	-175.3	-179.4	0	110.1	P18 S33 L34	P18-K20 PolarHBondContact O-N 2.85Å; K20-S33 CarbonylContact O-C 3.53Å; K20-S33 WeakPolarHBondContact O-CA 3.43Å; K20-L34 HydrophobicContact CB-CD1 4.18Å; K20-L34 HydrophobicContact CB-CG 4.18Å; K20-L34 HydrophobicContact CD-CD1 4.26Å; K20-L34 PolarHBondContact N-O 2.92Å; K20-L34 PolarHBondContact O-N 3.1Å
21	K	98.1	Very high	96.2	Very high	147 Å²	147	75.7 Å²	75.7	64%	0.639	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.2	173.5	-73.5	-175.2	174.1	-169.3	0	108.7	I31 W32	K21-I31 HydrophobicContact CB-CG2 3.62Å; K21-I31 HydrophobicContact CD-CG2 4.03Å; K21-I31 HydrophobicContact CG-CG2 3.82Å; K21-W32 CarbonylContact C-O 3.53Å; K21-W32 VanDerWaalsContact CA-O 3.29Å; K21-W32 WeakPolarHBondContact CA-O 3.4Å
22	I	98.3	Very high	96.3	Very high	19 Å²	19	71.5 Å²	71.5	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.6	-176.3	-54.1	-173.2	0	0	0	108.7	V24 W32 L34 L94 L98	I22-V24 HydrophobicContact CG2-CG1 3.67Å; I22-W32 HydrophobicContact CB-CB 4.46Å; I22-W32 PolarHBondContact N-O 3.01Å; I22-W32 WeakPolarHBondContact O-CB 3.5Å; I22-W32 PolarHBondContact O-N 2.7Å; I22-L34 HydrophobicContact CD1-CD2 3.78Å; I22-L34 HydrophobicContact CG1-CD2 4.25Å; I22-L94 HydrophobicContact CB-CD1 4.32Å; I22-L94 HydrophobicContact CD1-CD1 4.24Å; I22-L94 HydrophobicContact CG2-CD1 4.2Å; I22-L98 HydrophobicContact CD1-CD2 3.76Å
23	I	98.1	Very high	96.4	Very high	81 Å²	81	63.9 Å²	63.9	42%	0.415	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.3	170.9	-62.8	165.5	0	0	0	106.5	D28 I31	I23-D28 HydrophobicContact CD1-CB 4.36Å; I23-D28 WeakPolarHBondContact CD1-O 3.46Å; I23-I31 HydrophobicContact CD1-CG1 4.24Å; I23-I31 HydrophobicContact CG1-CG1 3.92Å
24	V	97.7	Very high	96.5	Very high	28 Å²	28	63.9 Å²	63.9	17%	0.17	35%	0.351	C	S	.	.			trans	-127.3	-12.4	178.6	-60.4	0	0	0	0	113.2	I22 K93 L94 H97	I22-V24 HydrophobicContact CG2-CG1 3.67Å; V24-K93 HydrophobicContact CB-CB 3.88Å; V24-K93 HydrophobicContact CG2-CB 3.76Å; V24-K93 WeakPolarHBondContact O-CD 3.4Å; V24-L94 HydrophobicContact CG1-CD1 4.32Å; V24-L94 HydrophobicContact CG2-CB 4.43Å; V24-H97 HydrophobicContact CG1-CB 3.82Å
25	D	96.3	Very high	96.6	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.091	33%	0.33	C	S	.	.	S	Bend	trans	-91.9	161.2	174.8	-66	-73.8	0	0	0	110.7	D27 K30 Y81 K93	D25-D27 PolarHBondContact O-N 3.3Å; D25-K30 HydrophobicContact CB-CB 4.24Å; D25-K30 HydrophobicContact CB-CD 4Å; D25-Y81 PolarHBondContact OD2-OH 2.95Å; D25-K93 IonicContact OD1-NZ 3.4Å; D25-K93 PolarHBondContact OD1-NZ 2.6Å
26	D	92.9	Very high	96.7	Very high	172 Å²	172	55 Å²	55	92%	0.92	30%	0.296	S	S	*	.	S	Bend	trans	-66.2	-21.9	174.4	-58.5	-41.9	0	0	0	111.9
27	D	92.8	Very high	96.9	Very high	65 Å²	65	52.4 Å²	52.4	35%	0.348	28%	0.282	S	S	.	.	S	Bend	trans	-84.4	108.8	171.9	179.6	-6.3	0	0	0	110	D25 S29 K30	D25-D27 PolarHBondContact O-N 3.3Å; D27-S29 VanDerWaalsContact CG-OG 3.25Å; D27-S29 PolarHBondContact O-N 3.4Å; D27-S29 VanDerWaalsContact OD1-CB 3.25Å; D27-S29 WeakPolarHBondContact OD1-CB 3.29Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.91Å; D27-S29 PolarHBondContact OD2-OG 2.73Å; D27-K30 HydrophobicContact CB-CD 4.1Å; D27-K30 HydrophobicContact CB-CG 4.26Å; D27-K30 WeakPolarHBondContact O-CB 3.35Å; D27-K30 PolarHBondContact O-N 2.96Å; D27-K30 VanDerWaalsContact O-N 3.09Å; D27-K30 WeakPolarHBondContact OD2-CE 3.49Å
28	D	92.8	Very high	96.9	Very high	122 Å²	122	53.2 Å²	53.2	65%	0.652	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.2	-177.1	67.5	-8.3	0	0	0	114	I23 K30	I23-D28 HydrophobicContact CD1-CB 4.36Å; I23-D28 WeakPolarHBondContact CD1-O 3.46Å; D28-K30 VanDerWaalsContact C-N 3.27Å
29	S	94.2	Very high	96.9	Very high	81 Å²	81	50.6 Å²	50.6	57%	0.566	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.6	172.5	78.5	0	0	0	0	112.7	D27 I31	D27-S29 VanDerWaalsContact CG-OG 3.25Å; D27-S29 PolarHBondContact O-N 3.4Å; D27-S29 VanDerWaalsContact OD1-CB 3.25Å; D27-S29 WeakPolarHBondContact OD1-CB 3.29Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.91Å; D27-S29 PolarHBondContact OD2-OG 2.73Å; S29-I31 PolarHBondContact O-N 2.7Å; S29-I31 VanDerWaalsContact O-N 3.09Å
30	K	96.6	Very high	96.7	Very high	24 Å²	24	53 Å²	53	10%	0.104	28%	0.28	C	S	.	.			trans	-85.1	84.3	-179	-69	179.2	-177.9	162.8	0	112.1	D25 D27 D28 P79 Y81 E86	D25-K30 HydrophobicContact CB-CB 4.24Å; D25-K30 HydrophobicContact CB-CD 4Å; D27-K30 HydrophobicContact CB-CD 4.1Å; D27-K30 HydrophobicContact CB-CG 4.26Å; D27-K30 WeakPolarHBondContact O-CB 3.35Å; D27-K30 PolarHBondContact O-N 2.96Å; D27-K30 VanDerWaalsContact O-N 3.09Å; D27-K30 WeakPolarHBondContact OD2-CE 3.49Å; D28-K30 VanDerWaalsContact C-N 3.27Å; K30-P79 HydrophobicContact CB-CB 3.83Å; K30-P79 HydrophobicContact CB-CG 4.15Å; K30-P79 HydrophobicContact CG-CB 4.15Å; K30-Y81 HydrophobicContact CD-CD1 4.32Å; K30-Y81 HydrophobicContact CD-CE1 3.85Å; K30-E86 WeakPolarHBondContact CE-OE1 3.34Å; K30-E86 IonicContact NZ-OE1 3.55Å; K30-E86 PolarHBondContact NZ-OE1 3.27Å
31	I	97.6	Very high	96.5	Very high	63 Å²	63	54 Å²	54	32%	0.323	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.1	-176.2	-55	171.1	0	0	0	111	K21 I23 S29 S33	K21-I31 HydrophobicContact CB-CG2 3.62Å; K21-I31 HydrophobicContact CD-CG2 4.03Å; K21-I31 HydrophobicContact CG-CG2 3.82Å; I23-I31 HydrophobicContact CD1-CG1 4.24Å; I23-I31 HydrophobicContact CG1-CG1 3.92Å; S29-I31 PolarHBondContact O-N 2.7Å; S29-I31 VanDerWaalsContact O-N 3.09Å; I31-S33 PolarHBondContact O-N 3.18Å
32	W	98.3	Very high	96.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120	165.9	-71.6	90.6	0	0	0	109.5	K21 I22 L76 Y78 P79 Y81 F87 F91 L94	K21-W32 CarbonylContact C-O 3.53Å; K21-W32 VanDerWaalsContact CA-O 3.29Å; K21-W32 WeakPolarHBondContact CA-O 3.4Å; I22-W32 HydrophobicContact CB-CB 4.46Å; I22-W32 PolarHBondContact N-O 3.01Å; I22-W32 WeakPolarHBondContact O-CB 3.5Å; I22-W32 PolarHBondContact O-N 2.7Å; W32-L76 HydrophobicContact CE3-CD1 4.33Å; W32-L76 HydrophobicContact CZ3-CB 4.45Å; W32-L76 HydrophobicContact CZ3-CD1 3.96Å; W32-Y78 VanDerWaalsContact CZ3-CB 3.45Å; W32-P79 HydrophobicContact CD2-CG 3.94Å; W32-P79 VanDerWaalsContact CE2-CD 3.47Å; W32-P79 HydrophobicContact CG-CG 3.87Å; W32-Y81 HydrophobicContact CH2-CE2 4.16Å; W32-Y81 AromaticContact CZ2-CE2 3.55Å; W32-Y81 HydrophobicContact CZ2-CE2 3.55Å; W32-Y81 AromaticContact CZ2-CZ 3.92Å; W32-Y81 WeakPolarHBondContact CZ2-OH 3.37Å; W32-Y81 PolarHBondContact NE1-OH 2.85Å; W32-F87 HydrophobicContact CH2-CD2 4.45Å; W32-F87 AromaticContact CH2-CE2 3.96Å; W32-F87 HydrophobicContact CH2-CE2 3.96Å; W32-F91 HydrophobicContact CH2-CB 3.9Å; W32-F91 AromaticContact CH2-CD2 3.84Å; W32-F91 HydrophobicContact CH2-CD2 3.84Å; W32-F91 HydrophobicContact CH2-CG 4.19Å; W32-F91 HydrophobicContact CZ2-CB 4.05Å; W32-F91 HydrophobicContact CZ2-CD2 4.44Å; W32-F91 HydrophobicContact CZ3-CD2 4.2Å; W32-L94 HydrophobicContact CB-CD1 4.2Å; W32-L94 HydrophobicContact CB-CD2 4.37Å; W32-L94 HydrophobicContact CD2-CB 4.48Å; W32-L94 HydrophobicContact CD2-CD2 3.63Å; W32-L94 HydrophobicContact CD2-CG 4.45Å; W32-L94 HydrophobicContact CE3-CD2 3.58Å; W32-L94 HydrophobicContact CG-CD1 4.16Å; W32-L94 HydrophobicContact CG-CD2 3.99Å; W32-L94 HydrophobicContact CG-CG 4.48Å; W32-L94 HydrophobicContact CZ3-CD2 4.06Å
33	S	98.3	Very high	96.4	Very high	14 Å²	14	52.6 Å²	52.6	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.5	174	-65.1	0	0	0	0	109.1	K20 I31 L76 Q77	K20-S33 CarbonylContact O-C 3.53Å; K20-S33 WeakPolarHBondContact O-CA 3.43Å; I31-S33 PolarHBondContact O-N 3.18Å; S33-L76 CarbonylContact O-C 3.46Å; S33-Q77 PolarHBondContact N-O 2.94Å; S33-Q77 VanDerWaalsContact N-O 3.11Å; S33-Q77 PolarHBondContact O-N 2.99Å
34	L	98.3	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.1	-173.9	67.2	97.8	0	0	0	114.8	K20 I22 D36 I74 A75 L76 L94	K20-L34 HydrophobicContact CB-CD1 4.18Å; K20-L34 HydrophobicContact CB-CG 4.18Å; K20-L34 HydrophobicContact CD-CD1 4.26Å; K20-L34 PolarHBondContact N-O 2.92Å; K20-L34 PolarHBondContact O-N 3.1Å; I22-L34 HydrophobicContact CD1-CD2 3.78Å; I22-L34 HydrophobicContact CG1-CD2 4.25Å; L34-D36 HydrophobicContact CD1-CB 3.68Å; L34-I74 HydrophobicContact CB-CG2 4.39Å; L34-I74 HydrophobicContact CD1-CG2 4.12Å; L34-A75 WeakPolarHBondContact CA-O 3.2Å; L34-A75 WeakPolarHBondContact CB-O 3.49Å; L34-L76 HydrophobicContact CB-CD2 3.45Å; L34-L76 VanDerWaalsContact CB-CD2 3.45Å; L34-L76 HydrophobicContact CD2-CD2 3.94Å; L34-L76 HydrophobicContact CG-CD2 4.28Å; L34-L94 HydrophobicContact CD2-CD1 4.21Å
35	Y	98.6	Very high	96.5	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134	161.5	-59.8	-81.3	0	0	0	108.2	F13 R14 V17 L19 A56 D57 I63 I74 A75	F13-Y35 HydrophobicContact CE1-CD1 4.37Å; F13-Y35 HydrophobicContact CE1-CD2 4.41Å; F13-Y35 AromaticContact CE1-CE1 3.96Å; F13-Y35 HydrophobicContact CE1-CE1 3.96Å; F13-Y35 HydrophobicContact CE1-CE2 4.03Å; F13-Y35 AromaticContact CE1-CZ 3.76Å; F13-Y35 HydrophobicContact CE2-CD1 4.14Å; F13-Y35 HydrophobicContact CE2-CE1 4.49Å; F13-Y35 HydrophobicContact CE2-CG 4.17Å; F13-Y35 AromaticContact CZ-CD1 3.6Å; F13-Y35 HydrophobicContact CZ-CD1 3.6Å; F13-Y35 AromaticContact CZ-CD2 3.65Å; F13-Y35 HydrophobicContact CZ-CD2 3.65Å; F13-Y35 AromaticContact CZ-CE1 3.65Å; F13-Y35 HydrophobicContact CZ-CE1 3.65Å; F13-Y35 AromaticContact CZ-CE2 3.73Å; F13-Y35 HydrophobicContact CZ-CE2 3.73Å; F13-Y35 AromaticContact CZ-CG 3.57Å; F13-Y35 HydrophobicContact CZ-CG 3.57Å; F13-Y35 AromaticContact CZ-CZ 3.7Å; R14-Y35 PolarHBondContact NH1-OH 3.21Å; V17-Y35 HydrophobicContact CB-CD1 4.27Å; V17-Y35 HydrophobicContact CG1-CD1 3.91Å; V17-Y35 HydrophobicContact CG1-CG 4.37Å; V17-Y35 WeakPolarHBondContact O-CD1 3.39Å; V17-Y35 WeakPolarHBondContact O-CE1 3.47Å; L19-Y35 HydrophobicContact CB-CD1 4.45Å; L19-Y35 HydrophobicContact CB-CE1 3.81Å; L19-Y35 HydrophobicContact CD1-CD1 4.45Å; L19-Y35 HydrophobicContact CD1-CD2 4.2Å; L19-Y35 HydrophobicContact CD1-CE1 4.07Å; L19-Y35 HydrophobicContact CD1-CE2 3.77Å; Y35-A56 HydrophobicContact CD2-CB 3.68Å; Y35-A56 HydrophobicContact CE2-CB 3.82Å; Y35-D57 HydrophobicContact CE2-CB 3.67Å; Y35-I63 HydrophobicContact CD2-CD1 4.44Å; Y35-I63 HydrophobicContact CG-CD1 4.33Å; Y35-I74 CarbonylContact O-C 3.56Å; Y35-I74 WeakPolarHBondContact O-CA 3.45Å; Y35-A75 PolarHBondContact N-O 2.76Å; Y35-A75 PolarHBondContact O-N 3.33Å
36	D	98.2	Very high	96.6	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	116.3	177	-179.9	-17.2	0	0	0	107.2	L34 R40 R72 V73 I74	L34-D36 HydrophobicContact CD1-CB 3.68Å; D36-R40 PolarHBondContact O-NH2 3.17Å; D36-R40 IonicContact OD1-CZ 3.71Å; D36-R40 IonicContact OD1-NH1 2.65Å; D36-R40 PolarHBondContact OD1-NH1 2.87Å; D36-R40 IonicContact OD1-NH2 2.73Å; D36-R40 IonicContact OD2-CZ 3.34Å; D36-R40 IonicContact OD2-NH1 3.46Å; D36-R40 PolarHBondContact OD2-NH1 2.83Å; D36-R72 IonicContact OD1-CZ 3.76Å; D36-R72 IonicContact OD1-NE 3.96Å; D36-R72 PolarHBondContact OD1-NE 3.42Å; D36-R72 VanDerWaalsContact OD1-NE 3.17Å; D36-R72 IonicContact OD1-NH2 2.84Å; D36-R72 IonicContact OD2-CZ 3.62Å; D36-R72 IonicContact OD2-NE 2.72Å; D36-R72 IonicContact OD2-NH2 3.06Å; D36-R72 PolarHBondContact OD2-NH2 3.28Å; D36-V73 WeakPolarHBondContact CA-O 3.35Å; D36-I74 HydrophobicContact CB-CG1 4.07Å; D36-I74 HydrophobicContact CB-CG2 4.39Å
37	A	98.1	Very high	96.9	Very high	12 Å²	12	38.6 Å²	38.6	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.1	-171.9	0	0	0	0	0	111	V17 I63 T67 R72 V73	V17-A37 HydrophobicContact CG1-CB 3.96Å; V17-A37 HydrophobicContact CG2-CB 4.46Å; A37-I63 HydrophobicContact CB-CG2 3.82Å; A37-T67 HydrophobicContact CB-CG2 3.66Å; A37-R72 WeakPolarHBondContact O-CA 3.37Å; A37-V73 PolarHBondContact N-O 2.67Å; A37-V73 PolarHBondContact O-N 2.88Å
38	G	97	Very high	97.2	Very high	32 Å²	32	35.5 Å²	35.5	33%	0.33	19%	0.194	S	C	.	.	S	Bend	trans	92	-172.2	-172.6	0	0	0	0	0	114.1	R40	G38-R40 PolarHBondContact O-N 2.92Å
39	P	96.2	Very high	97.5	Very high	30 Å²	30	29.7 Å²	29.7	20%	0.195	16%	0.163	C	C	.	.			trans	-66.6	122.7	-169.8	-18.7	29.8	0	0	0	113.2	S41 I42 R72 D285	P39-S41 VanDerWaalsContact C-N 3.28Å; P39-S41 PolarHBondContact O-N 3.12Å; P39-I42 HydrophobicContact CB-CD1 3.79Å; P39-I42 HydrophobicContact CB-CG1 4.21Å; P39-I42 HydrophobicContact CG-CD1 3.83Å; P39-I42 PolarHBondContact O-N 3.1Å; P39-R72 WeakPolarHBondContact O-CD 3.13Å; P39-D285 HydrophobicContact CG-CB 4Å
40	R	93.9	Very high	97.7	Very high	125 Å²	125	25.8 Å²	25.8	47%	0.472	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.2	-177.1	-60.3	-61.2	-178.2	166.7	-15.4	114.5	D36 G38 I42	D36-R40 PolarHBondContact O-NH2 3.17Å; D36-R40 IonicContact OD1-CZ 3.71Å; D36-R40 IonicContact OD1-NH1 2.65Å; D36-R40 PolarHBondContact OD1-NH1 2.87Å; D36-R40 IonicContact OD1-NH2 2.73Å; D36-R40 IonicContact OD2-CZ 3.34Å; D36-R40 IonicContact OD2-NH1 3.46Å; D36-R40 PolarHBondContact OD2-NH1 2.83Å; G38-R40 PolarHBondContact O-N 2.92Å; R40-I42 PolarHBondContact O-N 3Å
41	S	94.4	Very high	97.7	Very high	92 Å²	92	25 Å²	25	64%	0.643	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.5	173.9	47	0	0	0	0	112.5	P39 R43	P39-S41 VanDerWaalsContact C-N 3.28Å; P39-S41 PolarHBondContact O-N 3.12Å; S41-R43 PolarHBondContact O-N 3.08Å
42	I	97.4	Very high	97.7	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.056	12%	0.122	C	C	.	.			trans	-76.5	118	-178.9	-62.6	167.5	0	0	0	109.8	P39 R40 R72 A282 A283 D285	P39-I42 HydrophobicContact CB-CD1 3.79Å; P39-I42 HydrophobicContact CB-CG1 4.21Å; P39-I42 HydrophobicContact CG-CD1 3.83Å; P39-I42 PolarHBondContact O-N 3.1Å; R40-I42 PolarHBondContact O-N 3Å; I42-R72 HydrophobicContact CB-CB 3.94Å; I42-R72 HydrophobicContact CD1-CB 4.01Å; I42-R72 HydrophobicContact CG2-CB 3.99Å; I42-R72 VanDerWaalsContact O-CD 3.22Å; I42-R72 WeakPolarHBondContact O-CD 3.16Å; I42-R72 PolarHBondContact O-NH1 3Å; I42-A282 WeakPolarHBondContact CG2-O 3.39Å; I42-A283 WeakPolarHBondContact CD1-O 3.41Å; I42-D285 VanDerWaalsContact CD1-N 3.33Å
43	R	97.6	Very high	97.5	Very high	127 Å²	127	22.9 Å²	22.9	48%	0.479	12%	0.123	S	C	.	.	S	Bend	trans	-95.2	-4.7	177.9	-63.6	-165.4	179.8	-132.1	0	114.8	S41 P45 L100 D101	S41-R43 PolarHBondContact O-N 3.08Å; R43-P45 VanDerWaalsContact O-CD 3.24Å; R43-P45 WeakPolarHBondContact O-CD 3.24Å; R43-L100 WeakPolarHBondContact O-CA 3.28Å; R43-D101 WeakPolarHBondContact CB-OD2 3.44Å; R43-D101 PolarHBondContact O-N 3.45Å
44	C	98.3	Very high	97.2	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.119	C	C	.	.	S	Bend	trans	-117.3	61.9	179.6	-58.2	0	0	0	0	112	K102 Y281 A283	C44-K102 WeakPolarHBondContact CA-O 3.45Å; C44-K102 WeakPolarHBondContact CB-O 3.49Å; C44-K102 PolarHBondContact SG-O 3.01Å; C44-Y281 WeakPolarHBondContact CB-O 3.38Å; C44-A283 VanDerWaalsContact O-CA 3.26Å; C44-A283 WeakPolarHBondContact O-CA 3.46Å; C44-A283 VanDerWaalsContact O-CB 3.31Å; C44-A283 WeakPolarHBondContact O-CB 3.42Å
45	P	98.6	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.			trans	-69.4	165.7	-174.6	30.3	-37.4	0	0	0	113.4	R43 I47 R72 I74 L100 V103 H104	R43-P45 VanDerWaalsContact O-CD 3.24Å; R43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-I47 HydrophobicContact CG-CD1 4.46Å; P45-I47 HydrophobicContact CG-CG1 4.22Å; P45-R72 HydrophobicContact CB-CB 4.17Å; P45-R72 HydrophobicContact CB-CG 3.95Å; P45-R72 WeakPolarHBondContact CB-O 3.25Å; P45-I74 HydrophobicContact CB-CD1 4.13Å; P45-I74 HydrophobicContact CB-CG1 4.13Å; P45-I74 HydrophobicContact CG-CD1 3.76Å; P45-I74 HydrophobicContact CG-CG1 4.29Å; P45-L100 HydrophobicContact CG-CD1 3.73Å; P45-L100 HydrophobicContact CG-CD2 3.91Å; P45-L100 HydrophobicContact CG-CG 4.38Å; P45-V103 HydrophobicContact CG-CG1 4.3Å; P45-H104 PolarHBondContact O-N 3.23Å
46	L	98.9	Very high	97.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.5	160.8	178	66	0	0	0	109.9	F48 L66 R72 V73 I74 H104 F106 I132 V269 L273	L46-F48 HydrophobicContact CD2-CD2 4.34Å; L46-F48 HydrophobicContact CD2-CE2 3.32Å; L46-F48 HydrophobicContact CD2-CZ 3.51Å; L46-F48 HydrophobicContact CG-CD2 4.2Å; L46-F48 HydrophobicContact CG-CE2 3.63Å; L46-F48 HydrophobicContact CG-CZ 4.17Å; L46-L66 HydrophobicContact CD2-CD1 3.8Å; L46-R72 PolarHBondContact N-O 3.31Å; L46-V73 CarbonylContact O-C 3.54Å; L46-V73 WeakPolarHBondContact O-CA 3.27Å; L46-I74 PolarHBondContact O-N 2.93Å; L46-H104 CarbonylContact C-O 3.54Å; L46-H104 WeakPolarHBondContact CA-O 3.22Å; L46-H104 HydrophobicContact CD1-CB 3.81Å; L46-F106 HydrophobicContact CD1-CB 4.19Å; L46-I132 HydrophobicContact CD1-CD1 4.39Å; L46-V269 HydrophobicContact CD2-CG1 3.4Å; L46-L273 HydrophobicContact CB-CD1 4.41Å; L46-L273 HydrophobicContact CD2-CD1 4.09Å
47	I	98.9	Very high	97.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.7	179.5	-52.3	-170.2	0	0	0	110.3	P45 I74 L76 F91 L95 L100 V103 H104 L105 F106	P45-I47 HydrophobicContact CG-CD1 4.46Å; P45-I47 HydrophobicContact CG-CG1 4.22Å; I47-I74 CarbonylContact C-O 3.56Å; I47-I74 WeakPolarHBondContact CA-O 3.22Å; I47-I74 HydrophobicContact CG1-CB 4.17Å; I47-L76 HydrophobicContact CG2-CD1 3.42Å; I47-L76 VanDerWaalsContact CG2-CD1 3.42Å; I47-L76 HydrophobicContact CG2-CG 3.68Å; I47-F91 HydrophobicContact CD1-CE2 4.44Å; I47-F91 HydrophobicContact CD1-CZ 4.24Å; I47-F91 HydrophobicContact CG2-CZ 4.32Å; I47-L95 HydrophobicContact CD1-CD2 3.63Å; I47-L100 HydrophobicContact CD1-CD1 4.06Å; I47-V103 HydrophobicContact CD1-CB 3.96Å; I47-V103 HydrophobicContact CD1-CG1 3.77Å; I47-V103 HydrophobicContact CD1-CG2 4.2Å; I47-V103 HydrophobicContact CG1-CB 4.22Å; I47-V103 HydrophobicContact CG1-CG1 4.39Å; I47-H104 PolarHBondContact N-O 3.33Å; I47-L105 HydrophobicContact CB-CD2 3.78Å; I47-L105 HydrophobicContact CG1-CD2 4.45Å; I47-L105 HydrophobicContact CG2-CD2 4.36Å; I47-L105 WeakPolarHBondContact O-CA 3.43Å; I47-F106 PolarHBondContact O-N 3.16Å
48	F	98.9	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.5	177.5	-72.6	-99.1	0	0	0	111.9	L46 F59 Q62 L66 V73 I74 A75 L76 F106	L46-F48 HydrophobicContact CD2-CD2 4.34Å; L46-F48 HydrophobicContact CD2-CE2 3.32Å; L46-F48 HydrophobicContact CD2-CZ 3.51Å; L46-F48 HydrophobicContact CG-CD2 4.2Å; L46-F48 HydrophobicContact CG-CE2 3.63Å; L46-F48 HydrophobicContact CG-CZ 4.17Å; F48-F59 HydrophobicContact CB-CB 4.24Å; F48-F59 HydrophobicContact CB-CD1 4.2Å; F48-F59 HydrophobicContact CB-CD2 3.49Å; F48-F59 VanDerWaalsContact CB-CD2 3.49Å; F48-F59 HydrophobicContact CB-CE1 4.44Å; F48-F59 HydrophobicContact CB-CE2 3.75Å; F48-F59 HydrophobicContact CB-CG 3.71Å; F48-F59 HydrophobicContact CB-CZ 4.21Å; F48-F59 HydrophobicContact CD1-CB 4.23Å; F48-F59 AromaticContact CD1-CD1 3.47Å; F48-F59 HydrophobicContact CD1-CD1 3.47Å; F48-F59 VanDerWaalsContact CD1-CD1 3.47Å; F48-F59 HydrophobicContact CD1-CD2 4.34Å; F48-F59 AromaticContact CD1-CE1 3.8Å; F48-F59 HydrophobicContact CD1-CE1 3.8Å; F48-F59 AromaticContact CD1-CG 3.76Å; F48-F59 HydrophobicContact CD1-CG 3.76Å; F48-F59 HydrophobicContact CD1-CZ 4.34Å; F48-F59 HydrophobicContact CE1-CD1 4.21Å; F48-F59 HydrophobicContact CG-CB 4.21Å; F48-F59 HydrophobicContact CG-CD1 4.13Å; F48-F59 HydrophobicContact CG-CD2 4.23Å; F48-F59 AromaticContact CG-CG 3.93Å; F48-F59 HydrophobicContact CG-CG 3.93Å; F48-Q62 HydrophobicContact CD1-CG 4.38Å; F48-Q62 HydrophobicContact CE1-CB 3.92Å; F48-Q62 HydrophobicContact CE1-CG 3.55Å; F48-Q62 HydrophobicContact CE2-CB 4.12Å; F48-Q62 HydrophobicContact CZ-CB 3.63Å; F48-Q62 HydrophobicContact CZ-CG 3.69Å; F48-L66 HydrophobicContact CE2-CD1 4Å; F48-L66 HydrophobicContact CZ-CD1 3.81Å; F48-V73 HydrophobicContact CD2-CG1 3.59Å; F48-V73 HydrophobicContact CE2-CG1 3.48Å; F48-V73 VanDerWaalsContact CE2-CG1 3.48Å; F48-I74 PolarHBondContact N-O 2.87Å; F48-A75 HydrophobicContact CB-CB 4.17Å; F48-L76 PolarHBondContact O-N 2.86Å; F48-F106 CarbonylContact C-O 3.48Å; F48-F106 VanDerWaalsContact CA-O 3.32Å; F48-F106 WeakPolarHBondContact CA-O 3.49Å; F48-F106 HydrophobicContact CD1-CB 3.61Å; F48-F106 AromaticContact CD1-CD1 3.26Å; F48-F106 HydrophobicContact CD1-CD1 3.26Å; F48-F106 HydrophobicContact CD1-CD2 4.35Å; F48-F106 AromaticContact CD1-CE1 3.97Å; F48-F106 HydrophobicContact CD1-CE1 3.97Å; F48-F106 AromaticContact CD1-CG 3.49Å; F48-F106 HydrophobicContact CD1-CG 3.49Å; F48-F106 VanDerWaalsContact CD1-CG 3.49Å; F48-F106 HydrophobicContact CE1-CB 3.62Å; F48-F106 AromaticContact CE1-CD1 3.51Å; F48-F106 HydrophobicContact CE1-CD1 3.51Å; F48-F106 AromaticContact CE1-CD2 3.77Å; F48-F106 HydrophobicContact CE1-CD2 3.77Å; F48-F106 HydrophobicContact CE1-CE1 4.05Å; F48-F106 HydrophobicContact CE1-CE2 4.28Å; F48-F106 AromaticContact CE1-CG 3.34Å; F48-F106 HydrophobicContact CE1-CG 3.34Å; F48-F106 HydrophobicContact CE1-CZ 4.4Å; F48-F106 HydrophobicContact CG-CB 4.13Å; F48-F106 HydrophobicContact CG-CD1 4.33Å; F48-F106 HydrophobicContact CG-CG 4.46Å; F48-F106 HydrophobicContact CZ-CB 4.18Å; F48-F106 HydrophobicContact CZ-CG 4.26Å
49	L	98.8	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.2	176.9	-66.8	174.4	0	0	0	110.9	L76 Y78 F87 F106 A108 G111 A115	L49-L76 HydrophobicContact CD2-CB 4.21Å; L49-L76 HydrophobicContact CD2-CD1 3.9Å; L49-Y78 HydrophobicContact CD2-CD1 4.43Å; L49-F87 HydrophobicContact CD1-CZ 4.4Å; L49-F87 HydrophobicContact CD2-CZ 4.43Å; L49-F106 PolarHBondContact N-O 3.41Å; L49-A108 PolarHBondContact O-N 3.39Å; L49-A108 VanDerWaalsContact O-N 3.07Å; L49-G111 WeakPolarHBondContact CD1-O 3.38Å; L49-A115 HydrophobicContact CD1-CB 3.98Å
50	P	98.3	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.			trans	-77.8	161.1	-173.5	29.9	-36	0	0	0	113.1	V58 F59 L76 Y78 G111	P50-V58 HydrophobicContact CB-CG2 4.37Å; P50-F59 HydrophobicContact CB-CE2 3.89Å; P50-F59 HydrophobicContact CB-CZ 4.42Å; P50-L76 WeakPolarHBondContact CD-O 3.31Å; P50-L76 VanDerWaalsContact CG-O 3.27Å; P50-L76 WeakPolarHBondContact CG-O 3.38Å; P50-Y78 HydrophobicContact CG-CD1 4.26Å; P50-Y78 HydrophobicContact CG-CE1 3.73Å; P50-Y78 PolarHBondContact O-OH 3.18Å; P50-Y78 VanDerWaalsContact O-OH 3.08Å; P50-G111 WeakPolarHBondContact O-CA 3.37Å; P50-G111 PolarHBondContact O-N 3.11Å
51	P	97.4	Very high	97.5	Very high	7 Å²	7	15.6 Å²	15.6	5%	0.045	8%	0.079	C	C	.	.			trans	-70.7	178	169	36.3	-39.3	0	0	0	111	S53 G54 A108 M184 Y258	P51-S53 PolarHBondContact O-N 3.31Å; P51-S53 VanDerWaalsContact O-N 3.16Å; P51-G54 PolarHBondContact O-N 2.94Å; P51-A108 VanDerWaalsContact CA-O 3.32Å; P51-A108 WeakPolarHBondContact CA-O 3.31Å; P51-M184 HydrophobicContact CG-CE 3.98Å; P51-Y258 WeakPolarHBondContact CG-OH 3.27Å
52	V	96.3	Very high	97.7	Very high	13 Å²	13	11.2 Å²	11.2	8%	0.079	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-46.2	176.6	175.5	0	0	0	0	112.4	G54 L110 V164 R199 L200 N203	V52-G54 PolarHBondContact O-N 3.17Å; V52-L110 HydrophobicContact CG2-CB 3.91Å; V52-L110 HydrophobicContact CG2-CD2 3.64Å; V52-L110 HydrophobicContact CG2-CG 4.41Å; V52-V164 HydrophobicContact CG1-CG1 4.48Å; V52-V164 HydrophobicContact CG1-CG2 3.68Å; V52-R199 HydrophobicContact CB-CB 4.48Å; V52-R199 HydrophobicContact CG1-CB 3.98Å; V52-R199 HydrophobicContact CG2-CB 4.47Å; V52-R199 WeakPolarHBondContact O-CD 3.37Å; V52-R199 PolarHBondContact O-NH1 3.45Å; V52-L200 HydrophobicContact CG1-CD2 4.08Å; V52-L200 HydrophobicContact CG1-CG 4.07Å; V52-N203 HydrophobicContact CG2-CB 4.05Å
53	S	94.3	Very high	97.7	Very high	5 Å²	5	10.8 Å²	10.8	4%	0.035	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.2	-177.7	50.5	0	0	0	0	115.2	P51 M184	P51-S53 PolarHBondContact O-N 3.31Å; P51-S53 VanDerWaalsContact O-N 3.16Å; S53-M184 VanDerWaalsContact OG-CE 3.26Å; S53-M184 WeakPolarHBondContact OG-CE 3.16Å
54	G	93	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.			trans	-92.6	154.2	-167.8	0	0	0	0	0	114.3	P51 V52 R199	P51-G54 PolarHBondContact O-N 2.94Å; V52-G54 PolarHBondContact O-N 3.17Å; G54-R199 PolarHBondContact O-NH1 3.09Å
55	T	96.9	Very high	97.7	Very high	9 Å²	9	8.1 Å²	8.1	6%	0.055	5%	0.045	C	C	.	.			trans	-114.9	177.7	163.6	65.9	0	0	0	0	109.1	D57 V58 Q77 R187 L191	T55-D57 PolarHBondContact O-N 3.09Å; T55-D57 VanDerWaalsContact O-N 3.14Å; T55-D57 PolarHBondContact OG1-OD1 3.38Å; T55-V58 WeakPolarHBondContact O-CG1 3.43Å; T55-V58 VanDerWaalsContact O-CG2 3.22Å; T55-V58 WeakPolarHBondContact O-CG2 3.42Å; T55-V58 PolarHBondContact O-N 3.02Å; T55-Q77 VanDerWaalsContact CB-OE1 3.23Å; T55-R187 HydrophobicContact CG2-CB 4.47Å; T55-R187 WeakPolarHBondContact OG1-CD 3.29Å; T55-L191 HydrophobicContact CG2-CD2 3.84Å; T55-L191 HydrophobicContact CG2-CG 4.41Å
56	A	97.4	Very high	97.7	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.008	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.7	-175.8	0	0	0	0	0	113.6	Y35 V58 A75 Q77	Y35-A56 HydrophobicContact CD2-CB 3.68Å; Y35-A56 HydrophobicContact CE2-CB 3.82Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.49Å; A56-A75 HydrophobicContact CB-CB 4.49Å; A56-A75 VanDerWaalsContact O-CB 3.27Å; A56-A75 WeakPolarHBondContact O-CB 3.18Å; A56-Q77 HydrophobicContact CB-CB 4.1Å
57	D	97.7	Very high	97.6	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.021	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-81.4	-5.4	-175.5	67.5	0.7	0	0	0	114.2	Y10 F13 Y35 T55 F59 F60 R187	Y10-D57 HydrophobicContact CE2-CB 4.18Å; Y10-D57 PolarHBondContact OH-OD2 2.8Å; F13-D57 HydrophobicContact CE1-CB 3.82Å; F13-D57 HydrophobicContact CZ-CB 4.48Å; Y35-D57 HydrophobicContact CE2-CB 3.67Å; T55-D57 PolarHBondContact O-N 3.09Å; T55-D57 VanDerWaalsContact O-N 3.14Å; T55-D57 PolarHBondContact OG1-OD1 3.38Å; D57-F59 PolarHBondContact O-N 2.9Å; D57-F59 VanDerWaalsContact O-N 3.14Å; D57-F60 WeakPolarHBondContact O-CB 3.25Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 PolarHBondContact O-N 2.57Å; D57-R187 WeakPolarHBondContact OD1-CD 3.28Å; D57-R187 IonicContact OD1-NH1 3.17Å; D57-R187 IonicContact OD2-CZ 2.7Å; D57-R187 IonicContact OD2-NH1 3.81Å; D57-R187 PolarHBondContact OD2-NH1 3.27Å
58	V	98.3	Very high	97.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.6	174.6	-53.3	0	0	0	0	112.3	P50 T55 A56 F183 M184 R187 Y258 L259	P50-V58 HydrophobicContact CB-CG2 4.37Å; T55-V58 WeakPolarHBondContact O-CG1 3.43Å; T55-V58 VanDerWaalsContact O-CG2 3.22Å; T55-V58 WeakPolarHBondContact O-CG2 3.42Å; T55-V58 PolarHBondContact O-N 3.02Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.49Å; V58-F183 HydrophobicContact CG1-CE1 4.32Å; V58-M184 HydrophobicContact CB-SD 3.91Å; V58-M184 HydrophobicContact CG1-CE 4.13Å; V58-M184 HydrophobicContact CG1-SD 3.44Å; V58-M184 WeakPolarHBondContact CG1-SD 3.39Å; V58-R187 HydrophobicContact CG1-CB 4.49Å; V58-R187 HydrophobicContact CG1-CG 3.88Å; V58-Y258 HydrophobicContact CB-CE2 4.01Å; V58-Y258 HydrophobicContact CG2-CE2 3.84Å; V58-L259 WeakPolarHBondContact O-CD2 3.48Å
59	F	98.6	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-98.8	17.5	176.4	-56.7	-66.7	0	0	0	113.1	F48 P50 D57 R61 Q62 I63 A75 F106 A108 Y258	F48-F59 HydrophobicContact CB-CB 4.24Å; F48-F59 HydrophobicContact CB-CD1 4.2Å; F48-F59 HydrophobicContact CB-CD2 3.49Å; F48-F59 VanDerWaalsContact CB-CD2 3.49Å; F48-F59 HydrophobicContact CB-CE1 4.44Å; F48-F59 HydrophobicContact CB-CE2 3.75Å; F48-F59 HydrophobicContact CB-CG 3.71Å; F48-F59 HydrophobicContact CB-CZ 4.21Å; F48-F59 HydrophobicContact CD1-CB 4.23Å; F48-F59 AromaticContact CD1-CD1 3.47Å; F48-F59 HydrophobicContact CD1-CD1 3.47Å; F48-F59 VanDerWaalsContact CD1-CD1 3.47Å; F48-F59 HydrophobicContact CD1-CD2 4.34Å; F48-F59 AromaticContact CD1-CE1 3.8Å; F48-F59 HydrophobicContact CD1-CE1 3.8Å; F48-F59 AromaticContact CD1-CG 3.76Å; F48-F59 HydrophobicContact CD1-CG 3.76Å; F48-F59 HydrophobicContact CD1-CZ 4.34Å; F48-F59 HydrophobicContact CE1-CD1 4.21Å; F48-F59 HydrophobicContact CG-CB 4.21Å; F48-F59 HydrophobicContact CG-CD1 4.13Å; F48-F59 HydrophobicContact CG-CD2 4.23Å; F48-F59 AromaticContact CG-CG 3.93Å; F48-F59 HydrophobicContact CG-CG 3.93Å; P50-F59 HydrophobicContact CB-CE2 3.89Å; P50-F59 HydrophobicContact CB-CZ 4.42Å; D57-F59 PolarHBondContact O-N 2.9Å; D57-F59 VanDerWaalsContact O-N 3.14Å; F59-R61 PolarHBondContact O-N 2.96Å; F59-Q62 HydrophobicContact CB-CB 4.37Å; F59-Q62 WeakPolarHBondContact O-CA 3.27Å; F59-Q62 WeakPolarHBondContact O-CB 3.4Å; F59-Q62 PolarHBondContact O-N 3.41Å; F59-I63 WeakPolarHBondContact O-CG1 3.44Å; F59-I63 PolarHBondContact O-N 3.36Å; F59-A75 HydrophobicContact CB-CB 4.12Å; F59-A75 HydrophobicContact CD2-CB 4.16Å; F59-F106 HydrophobicContact CE1-CD1 4.17Å; F59-F106 AromaticContact CE1-CE1 3.86Å; F59-F106 HydrophobicContact CE1-CE1 3.86Å; F59-A108 HydrophobicContact CZ-CB 4.33Å; F59-Y258 AromaticContact CD1-CD2 3.9Å; F59-Y258 HydrophobicContact CD1-CD2 3.9Å; F59-Y258 HydrophobicContact CD1-CE2 4.39Å; F59-Y258 HydrophobicContact CD1-CG 4.19Å; F59-Y258 HydrophobicContact CE1-CD1 4.22Å; F59-Y258 AromaticContact CE1-CD2 3.83Å; F59-Y258 HydrophobicContact CE1-CD2 3.83Å; F59-Y258 HydrophobicContact CE1-CE1 4.43Å; F59-Y258 HydrophobicContact CE1-CE2 4.06Å; F59-Y258 AromaticContact CE1-CG 3.92Å; F59-Y258 HydrophobicContact CE1-CG 3.92Å
60	F	98.6	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.2	-36.2	-177.4	79.7	-80.4	0	0	0	112.8	I4 D9 Y10 F13 D57 Q62 I63 L64 L259	I4-F60 HydrophobicContact CG2-CE1 3.57Å; I4-F60 HydrophobicContact CG2-CZ 3.61Å; D9-F60 HydrophobicContact CB-CE2 4.1Å; Y10-F60 HydrophobicContact CD2-CB 4.35Å; Y10-F60 AromaticContact CD2-CD1 3.84Å; Y10-F60 HydrophobicContact CD2-CD1 3.84Å; Y10-F60 HydrophobicContact CD2-CD2 4.04Å; Y10-F60 HydrophobicContact CD2-CE1 4.09Å; Y10-F60 HydrophobicContact CD2-CE2 4.29Å; Y10-F60 AromaticContact CD2-CG 3.8Å; Y10-F60 HydrophobicContact CD2-CG 3.8Å; Y10-F60 HydrophobicContact CD2-CZ 4.32Å; Y10-F60 HydrophobicContact CE2-CD1 4.42Å; F13-F60 HydrophobicContact CB-CB 4.26Å; F13-F60 HydrophobicContact CB-CD2 4.37Å; F13-F60 HydrophobicContact CD1-CB 3.47Å; F13-F60 VanDerWaalsContact CD1-CB 3.47Å; F13-F60 HydrophobicContact CD1-CG 4.4Å; F13-F60 HydrophobicContact CD2-CB 4.02Å; F13-F60 HydrophobicContact CE1-CB 3.69Å; F13-F60 HydrophobicContact CE2-CB 4.21Å; F13-F60 HydrophobicContact CG-CB 3.63Å; F13-F60 HydrophobicContact CZ-CB 4.04Å; D57-F60 WeakPolarHBondContact O-CB 3.25Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 PolarHBondContact O-N 2.57Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 2.86Å; F60-I63 PolarHBondContact O-N 2.84Å; F60-L64 HydrophobicContact CD2-CD1 4.11Å; F60-L64 WeakPolarHBondContact O-CB 3.4Å; F60-L64 VanDerWaalsContact O-CG 3.31Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 2.87Å; F60-L259 HydrophobicContact CD1-CD2 4.27Å; F60-L259 HydrophobicContact CE1-CD2 3.81Å
61	R	98.3	Very high	97.3	Very high	56 Å²	56	17.4 Å²	17.4	21%	0.211	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-35.9	176.8	-62.2	-167.8	177.5	-76.5	2.6	112.1	D9 F59 A65 L259 S262 N266	D9-R61 IonicContact OD2-NH1 3.38Å; F59-R61 PolarHBondContact O-N 2.96Å; R61-A65 WeakPolarHBondContact O-CB 3.24Å; R61-A65 PolarHBondContact O-N 2.86Å; R61-L259 WeakPolarHBondContact CD-O 3.45Å; R61-L259 PolarHBondContact NE-O 3.02Å; R61-S262 VanDerWaalsContact CD-CB 3.47Å; R61-S262 VanDerWaalsContact CD-OG 3.3Å; R61-S262 WeakPolarHBondContact CD-OG 3.35Å; R61-N266 PolarHBondContact O-ND2 2.99Å
62	Q	98.6	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.2	-47.1	174.6	-70.6	55.8	58.5	0	0	109.8	F48 F59 F60 L64 A65 L66 Y258 N266	F48-Q62 HydrophobicContact CD1-CG 4.38Å; F48-Q62 HydrophobicContact CE1-CB 3.92Å; F48-Q62 HydrophobicContact CE1-CG 3.55Å; F48-Q62 HydrophobicContact CE2-CB 4.12Å; F48-Q62 HydrophobicContact CZ-CB 3.63Å; F48-Q62 HydrophobicContact CZ-CG 3.69Å; F59-Q62 HydrophobicContact CB-CB 4.37Å; F59-Q62 WeakPolarHBondContact O-CA 3.27Å; F59-Q62 WeakPolarHBondContact O-CB 3.4Å; F59-Q62 PolarHBondContact O-N 3.41Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 2.86Å; Q62-L64 PolarHBondContact O-N 3.1Å; Q62-A65 PolarHBondContact O-N 3.31Å; Q62-L66 HydrophobicContact CB-CD1 4.13Å; Q62-L66 WeakPolarHBondContact O-CB 3.25Å; Q62-L66 VanDerWaalsContact O-CG 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.2Å; Q62-Y258 PolarHBondContact NE2-O 2.94Å; Q62-Y258 PolarHBondContact OE1-O 3.01Å; Q62-N266 VanDerWaalsContact CG-OD1 3.27Å; Q62-N266 WeakPolarHBondContact CG-OD1 3.29Å; Q62-N266 PolarHBondContact NE2-OD1 3.11Å
63	I	98.5	Very high	97.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-56.7	-54.2	178	-66.3	166.8	0	0	0	110.3	F13 V17 Y35 A37 F59 F60 A65 T67 V73 A75	F13-I63 HydrophobicContact CD2-CG2 4.33Å; F13-I63 HydrophobicContact CE2-CB 4.17Å; F13-I63 HydrophobicContact CE2-CD1 3.55Å; F13-I63 HydrophobicContact CE2-CG1 4.48Å; F13-I63 HydrophobicContact CE2-CG2 3.97Å; F13-I63 HydrophobicContact CZ-CD1 3.8Å; V17-I63 HydrophobicContact CG2-CG2 4.38Å; Y35-I63 HydrophobicContact CD2-CD1 4.44Å; Y35-I63 HydrophobicContact CG-CD1 4.33Å; A37-I63 HydrophobicContact CB-CG2 3.82Å; F59-I63 WeakPolarHBondContact O-CG1 3.44Å; F59-I63 PolarHBondContact O-N 3.36Å; F60-I63 PolarHBondContact O-N 2.84Å; I63-A65 PolarHBondContact O-N 3.4Å; I63-T67 HydrophobicContact CG2-CG2 4.26Å; I63-T67 VanDerWaalsContact O-CB 3.26Å; I63-T67 WeakPolarHBondContact O-CB 3.38Å; I63-T67 WeakPolarHBondContact O-CG2 3.14Å; I63-T67 PolarHBondContact O-N 3.37Å; I63-T67 PolarHBondContact O-OG1 3Å; I63-V73 HydrophobicContact CG1-CG1 3.96Å; I63-A75 HydrophobicContact CD1-CB 3.77Å; I63-A75 HydrophobicContact CG1-CB 4.38Å
64	L	97.8	Very high	97.7	Very high	47 Å²	47	17 Å²	17	25%	0.246	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-47.5	-177	-70.4	178.3	0	0	0	112.3	D9 F13 F60 Q62 T67 G68	D9-L64 HydrophobicContact CB-CD1 4.16Å; F13-L64 HydrophobicContact CB-CD1 4.09Å; F13-L64 HydrophobicContact CB-CD2 4.1Å; F13-L64 HydrophobicContact CB-CG 4.21Å; F13-L64 HydrophobicContact CD2-CD2 4.4Å; F60-L64 HydrophobicContact CD2-CD1 4.11Å; F60-L64 WeakPolarHBondContact O-CB 3.4Å; F60-L64 VanDerWaalsContact O-CG 3.31Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 2.87Å; Q62-L64 PolarHBondContact O-N 3.1Å; L64-T67 PolarHBondContact O-OG1 3.18Å; L64-G68 PolarHBondContact O-N 3.43Å
65	A	98.1	Very high	98	Very high	27 Å²	27	17 Å²	17	22%	0.223	10%	0.098	C	C	.	.	H	α-helix	trans	-70.5	-52.9	-177.1	0	0	0	0	0	112.5	R61 Q62 I63 T67 G68 W69 N266	R61-A65 WeakPolarHBondContact O-CB 3.24Å; R61-A65 PolarHBondContact O-N 2.86Å; Q62-A65 PolarHBondContact O-N 3.31Å; I63-A65 PolarHBondContact O-N 3.4Å; A65-T67 VanDerWaalsContact C-N 3.35Å; A65-T67 PolarHBondContact O-N 3.01Å; A65-G68 WeakPolarHBondContact O-CA 3.5Å; A65-G68 PolarHBondContact O-N 2.99Å; A65-G68 VanDerWaalsContact O-N 3.17Å; A65-W69 HydrophobicContact CB-CZ2 4.35Å; A65-W69 PolarHBondContact O-N 3.15Å; A65-W69 VanDerWaalsContact O-N 3.11Å; A65-N266 WeakPolarHBondContact CB-ND2 3.38Å
66	L	98.4	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68	-36	-173.2	-64.2	172.5	0	0	0	111.7	L46 F48 Q62 G68 W69 G70 Y71 V73 V269	L46-L66 HydrophobicContact CD2-CD1 3.8Å; F48-L66 HydrophobicContact CE2-CD1 4Å; F48-L66 HydrophobicContact CZ-CD1 3.81Å; Q62-L66 HydrophobicContact CB-CD1 4.13Å; Q62-L66 WeakPolarHBondContact O-CB 3.25Å; Q62-L66 VanDerWaalsContact O-CG 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.2Å; L66-G68 VanDerWaalsContact C-N 3.34Å; L66-W69 HydrophobicContact CD2-CE3 3.65Å; L66-W69 HydrophobicContact CD2-CZ3 3.68Å; L66-W69 CarbonylContact O-C 3.54Å; L66-W69 WeakPolarHBondContact O-CA 3.26Å; L66-W69 PolarHBondContact O-N 3.28Å; L66-W69 VanDerWaalsContact O-N 3.09Å; L66-G70 PolarHBondContact O-N 2.91Å; L66-Y71 HydrophobicContact CB-CD2 4.47Å; L66-Y71 HydrophobicContact CD2-CD2 4.48Å; L66-Y71 WeakPolarHBondContact O-CB 3.42Å; L66-Y71 WeakPolarHBondContact O-CD2 3.38Å; L66-Y71 PolarHBondContact O-N 3.46Å; L66-V73 HydrophobicContact CB-CG2 3.66Å; L66-V73 HydrophobicContact CD1-CG2 4Å; L66-V269 HydrophobicContact CD1-CG1 3.91Å; L66-V269 HydrophobicContact CD2-CG1 4.04Å
67	T	97.4	Very high	98	Very high	36 Å²	36	18 Å²	18	22%	0.221	10%	0.102	C	C	.	.	H	α-helix	trans	-69.9	-33.7	175.1	61.4	0	0	0	0	111.9	A37 I63 L64 A65 W69 G70 Y71 V73	A37-T67 HydrophobicContact CB-CG2 3.66Å; I63-T67 HydrophobicContact CG2-CG2 4.26Å; I63-T67 VanDerWaalsContact O-CB 3.26Å; I63-T67 WeakPolarHBondContact O-CB 3.38Å; I63-T67 WeakPolarHBondContact O-CG2 3.14Å; I63-T67 PolarHBondContact O-N 3.37Å; I63-T67 PolarHBondContact O-OG1 3Å; L64-T67 PolarHBondContact O-OG1 3.18Å; A65-T67 VanDerWaalsContact C-N 3.35Å; A65-T67 PolarHBondContact O-N 3.01Å; T67-W69 PolarHBondContact O-N 3.26Å; T67-G70 PolarHBondContact O-N 3.21Å; T67-Y71 WeakPolarHBondContact CA-O 3.46Å; T67-V73 HydrophobicContact CG2-CB 4.16Å; T67-V73 HydrophobicContact CG2-CG2 4.24Å
68	G	95.8	Very high	97.8	Very high	55 Å²	55	17.9 Å²	17.9	57%	0.567	10%	0.101	S	C	*	.	H	α-helix	trans	-61.4	-25.5	168.4	0	0	0	0	0	113.4	L64 A65 L66 G70	L64-G68 PolarHBondContact O-N 3.43Å; A65-G68 WeakPolarHBondContact O-CA 3.5Å; A65-G68 PolarHBondContact O-N 2.99Å; A65-G68 VanDerWaalsContact O-N 3.17Å; L66-G68 VanDerWaalsContact C-N 3.34Å; G68-G70 VanDerWaalsContact C-N 3.35Å
69	W	96.5	Very high	97.7	Very high	98 Å²	98	18.3 Å²	18.3	37%	0.371	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7.9	173.1	-54.7	-23.1	0	0	0	113.6	A65 L66 T67 Y71 N266 Q270 I284	A65-W69 HydrophobicContact CB-CZ2 4.35Å; A65-W69 PolarHBondContact O-N 3.15Å; A65-W69 VanDerWaalsContact O-N 3.11Å; L66-W69 HydrophobicContact CD2-CE3 3.65Å; L66-W69 HydrophobicContact CD2-CZ3 3.68Å; L66-W69 CarbonylContact O-C 3.54Å; L66-W69 WeakPolarHBondContact O-CA 3.26Å; L66-W69 PolarHBondContact O-N 3.28Å; L66-W69 VanDerWaalsContact O-N 3.09Å; T67-W69 PolarHBondContact O-N 3.26Å; W69-Y71 HydrophobicContact CB-CD2 3.98Å; W69-Y71 HydrophobicContact CB-CE2 4.14Å; W69-N266 HydrophobicContact CH2-CB 3.76Å; W69-N266 HydrophobicContact CZ3-CB 3.93Å; W69-Q270 HydrophobicContact CZ3-CB 4.29Å; W69-I284 WeakPolarHBondContact O-CD1 3.4Å
70	G	97.3	Very high	97.7	Very high	7 Å²	7	19.9 Å²	19.9	7%	0.072	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	6.1	175.6	0	0	0	0	0	115.5	L66 T67 G68 D285	L66-G70 PolarHBondContact O-N 2.91Å; T67-G70 PolarHBondContact O-N 3.21Å; G68-G70 VanDerWaalsContact C-N 3.35Å; G70-D285 PolarHBondContact O-N 3.26Å
71	Y	98.4	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-78	144.7	175.4	-68.1	-93.9	0	0	0	111.9	L66 T67 W69 Q270 L273 H277 A283 I284	L66-Y71 HydrophobicContact CB-CD2 4.47Å; L66-Y71 HydrophobicContact CD2-CD2 4.48Å; L66-Y71 WeakPolarHBondContact O-CB 3.42Å; L66-Y71 WeakPolarHBondContact O-CD2 3.38Å; L66-Y71 PolarHBondContact O-N 3.46Å; T67-Y71 WeakPolarHBondContact CA-O 3.46Å; W69-Y71 HydrophobicContact CB-CD2 3.98Å; W69-Y71 HydrophobicContact CB-CE2 4.14Å; Y71-Q270 HydrophobicContact CE2-CG 4.44Å; Y71-Q270 WeakPolarHBondContact OH-CG 3.38Å; Y71-L273 HydrophobicContact CD1-CD1 3.75Å; Y71-L273 HydrophobicContact CE1-CB 3.84Å; Y71-L273 HydrophobicContact CE1-CD1 3.49Å; Y71-L273 VanDerWaalsContact CE1-CD1 3.49Å; Y71-L273 HydrophobicContact CE1-CG 4.32Å; Y71-H277 AromaticContact CE1-NE2 3.89Å; Y71-H277 AromaticContact CZ-NE2 3.67Å; Y71-H277 PolarHBondContact OH-CE1 2.73Å; Y71-H277 PolarHBondContact OH-NE2 3.47Å; Y71-A283 CarbonylContact C-O 3.56Å; Y71-A283 VanDerWaalsContact CA-O 3.28Å; Y71-A283 WeakPolarHBondContact CA-O 3.28Å; Y71-A283 HydrophobicContact CD1-CB 4Å; Y71-I284 HydrophobicContact CD1-CB 3.79Å; Y71-I284 HydrophobicContact CD1-CG1 4.43Å; Y71-I284 HydrophobicContact CD2-CD1 4.21Å; Y71-I284 HydrophobicContact CD2-CG1 4.31Å; Y71-I284 HydrophobicContact CE1-CB 3.78Å; Y71-I284 HydrophobicContact CE1-CD1 4.42Å; Y71-I284 HydrophobicContact CE1-CG1 4.45Å; Y71-I284 HydrophobicContact CE1-CG2 4.48Å; Y71-I284 HydrophobicContact CE2-CD1 3.79Å; Y71-I284 HydrophobicContact CE2-CG1 4.32Å; Y71-I284 HydrophobicContact CG-CB 4.19Å; Y71-I284 HydrophobicContact CG-CG1 4.38Å
72	R	98.5	Very high	97.5	Very high	15 Å²	15	21.6 Å²	21.6	6%	0.057	12%	0.12	C	C	.	.			trans	-85.3	119.6	162.3	-171.7	-176.9	177	-172	-5	109.3	D36 A37 P39 I42 P45 L46 A283	D36-R72 IonicContact OD1-CZ 3.76Å; D36-R72 IonicContact OD1-NE 3.96Å; D36-R72 PolarHBondContact OD1-NE 3.42Å; D36-R72 VanDerWaalsContact OD1-NE 3.17Å; D36-R72 IonicContact OD1-NH2 2.84Å; D36-R72 IonicContact OD2-CZ 3.62Å; D36-R72 IonicContact OD2-NE 2.72Å; D36-R72 IonicContact OD2-NH2 3.06Å; D36-R72 PolarHBondContact OD2-NH2 3.28Å; A37-R72 WeakPolarHBondContact O-CA 3.37Å; P39-R72 WeakPolarHBondContact O-CD 3.13Å; I42-R72 HydrophobicContact CB-CB 3.94Å; I42-R72 HydrophobicContact CD1-CB 4.01Å; I42-R72 HydrophobicContact CG2-CB 3.99Å; I42-R72 VanDerWaalsContact O-CD 3.22Å; I42-R72 WeakPolarHBondContact O-CD 3.16Å; I42-R72 PolarHBondContact O-NH1 3Å; P45-R72 HydrophobicContact CB-CB 4.17Å; P45-R72 HydrophobicContact CB-CG 3.95Å; P45-R72 WeakPolarHBondContact CB-O 3.25Å; L46-R72 PolarHBondContact N-O 3.31Å; R72-A283 PolarHBondContact N-O 2.62Å
73	V	98.6	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.2	-177.1	-179.9	0	0	0	0	110.3	D36 A37 L46 F48 I63 L66 T67	D36-V73 WeakPolarHBondContact CA-O 3.35Å; A37-V73 PolarHBondContact N-O 2.67Å; A37-V73 PolarHBondContact O-N 2.88Å; L46-V73 CarbonylContact O-C 3.54Å; L46-V73 WeakPolarHBondContact O-CA 3.27Å; F48-V73 HydrophobicContact CD2-CG1 3.59Å; F48-V73 HydrophobicContact CE2-CG1 3.48Å; F48-V73 VanDerWaalsContact CE2-CG1 3.48Å; I63-V73 HydrophobicContact CG1-CG1 3.96Å; L66-V73 HydrophobicContact CB-CG2 3.66Å; L66-V73 HydrophobicContact CD1-CG2 4Å; T67-V73 HydrophobicContact CG2-CB 4.16Å; T67-V73 HydrophobicContact CG2-CG2 4.24Å
74	I	98.8	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125	173.6	-51.9	-175.9	0	0	0	108.5	L34 Y35 D36 P45 L46 I47 F48 L76 L98 L100	L34-I74 HydrophobicContact CB-CG2 4.39Å; L34-I74 HydrophobicContact CD1-CG2 4.12Å; Y35-I74 CarbonylContact O-C 3.56Å; Y35-I74 WeakPolarHBondContact O-CA 3.45Å; D36-I74 HydrophobicContact CB-CG1 4.07Å; D36-I74 HydrophobicContact CB-CG2 4.39Å; P45-I74 HydrophobicContact CB-CD1 4.13Å; P45-I74 HydrophobicContact CB-CG1 4.13Å; P45-I74 HydrophobicContact CG-CD1 3.76Å; P45-I74 HydrophobicContact CG-CG1 4.29Å; L46-I74 PolarHBondContact O-N 2.93Å; I47-I74 CarbonylContact C-O 3.56Å; I47-I74 WeakPolarHBondContact CA-O 3.22Å; I47-I74 HydrophobicContact CG1-CB 4.17Å; F48-I74 PolarHBondContact N-O 2.87Å; I74-L76 HydrophobicContact CG2-CD2 3.62Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; I74-L98 HydrophobicContact CD1-CD1 4.31Å; I74-L100 HydrophobicContact CD1-CD1 3.94Å
75	A	98.8	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.7	171	0	0	0	0	0	109.6	L34 Y35 F48 A56 F59 I63	L34-A75 WeakPolarHBondContact CA-O 3.2Å; L34-A75 WeakPolarHBondContact CB-O 3.49Å; Y35-A75 PolarHBondContact N-O 2.76Å; Y35-A75 PolarHBondContact O-N 3.33Å; F48-A75 HydrophobicContact CB-CB 4.17Å; A56-A75 HydrophobicContact CB-CB 4.49Å; A56-A75 VanDerWaalsContact O-CB 3.27Å; A56-A75 WeakPolarHBondContact O-CB 3.18Å; F59-A75 HydrophobicContact CB-CB 4.12Å; F59-A75 HydrophobicContact CD2-CB 4.16Å; I63-A75 HydrophobicContact CD1-CB 3.77Å; I63-A75 HydrophobicContact CG1-CB 4.38Å
76	L	98.1	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.2	-172.5	-58.4	-178.3	0	0	0	111.9	W32 S33 L34 I47 F48 L49 P50 I74 F91 L94	W32-L76 HydrophobicContact CE3-CD1 4.33Å; W32-L76 HydrophobicContact CZ3-CB 4.45Å; W32-L76 HydrophobicContact CZ3-CD1 3.96Å; S33-L76 CarbonylContact O-C 3.46Å; L34-L76 HydrophobicContact CB-CD2 3.45Å; L34-L76 VanDerWaalsContact CB-CD2 3.45Å; L34-L76 HydrophobicContact CD2-CD2 3.94Å; L34-L76 HydrophobicContact CG-CD2 4.28Å; I47-L76 HydrophobicContact CG2-CD1 3.42Å; I47-L76 VanDerWaalsContact CG2-CD1 3.42Å; I47-L76 HydrophobicContact CG2-CG 3.68Å; F48-L76 PolarHBondContact O-N 2.86Å; L49-L76 HydrophobicContact CD2-CB 4.21Å; L49-L76 HydrophobicContact CD2-CD1 3.9Å; P50-L76 WeakPolarHBondContact CD-O 3.31Å; P50-L76 VanDerWaalsContact CG-O 3.27Å; P50-L76 WeakPolarHBondContact CG-O 3.38Å; I74-L76 HydrophobicContact CG2-CD2 3.62Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; L76-F91 HydrophobicContact CD1-CD2 4.11Å; L76-F91 HydrophobicContact CD1-CE2 3.45Å; L76-F91 VanDerWaalsContact CD1-CE2 3.45Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å; L76-L94 HydrophobicContact CD1-CD2 3.96Å; L76-L94 HydrophobicContact CD2-CD2 3.96Å
77	Q	96.5	Very high	97.2	Very high	31 Å²	31	29.1 Å²	29.1	15%	0.145	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.7	155.6	168.1	173.7	-6.6	0	0	105.6	S33 T55 A56 E195	S33-Q77 PolarHBondContact N-O 2.94Å; S33-Q77 VanDerWaalsContact N-O 3.11Å; S33-Q77 PolarHBondContact O-N 2.99Å; T55-Q77 VanDerWaalsContact CB-OE1 3.23Å; A56-Q77 HydrophobicContact CB-CB 4.1Å; Q77-E195 PolarHBondContact NE2-OE1 3.33Å
78	Y	94.2	Very high	97.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	15%	0.145	C	C	.	.			trans	-80.3	146.1	-176.3	40.3	-89.4	0	0	0	111.5	W32 L49 P50 F87 L110 L114 R199	W32-Y78 VanDerWaalsContact CZ3-CB 3.45Å; L49-Y78 HydrophobicContact CD2-CD1 4.43Å; P50-Y78 HydrophobicContact CG-CD1 4.26Å; P50-Y78 HydrophobicContact CG-CE1 3.73Å; P50-Y78 PolarHBondContact O-OH 3.18Å; P50-Y78 VanDerWaalsContact O-OH 3.08Å; Y78-F87 HydrophobicContact CD1-CE2 4.16Å; Y78-F87 HydrophobicContact CD2-CD2 4.47Å; Y78-F87 HydrophobicContact CD2-CE2 4.34Å; Y78-F87 HydrophobicContact CG-CD2 4.4Å; Y78-F87 AromaticContact CG-CE2 3.9Å; Y78-F87 HydrophobicContact CG-CE2 3.9Å; Y78-L110 WeakPolarHBondContact OH-CD2 3.26Å; Y78-L114 HydrophobicContact CE1-CD1 4.27Å; Y78-L114 HydrophobicContact CE2-CD1 4Å; Y78-R199 HydrophobicContact CE2-CG 3.78Å
79	P	97	Very high	97.4	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.058	13%	0.128	C	C	.	.			trans	-56.4	175.5	172	-24	28.3	0	0	0	114.9	K30 W32 Y81	K30-P79 HydrophobicContact CB-CB 3.83Å; K30-P79 HydrophobicContact CB-CG 4.15Å; K30-P79 HydrophobicContact CG-CB 4.15Å; W32-P79 HydrophobicContact CD2-CG 3.94Å; W32-P79 VanDerWaalsContact CE2-CD 3.47Å; W32-P79 HydrophobicContact CG-CG 3.87Å; P79-Y81 HydrophobicContact CB-CD2 4.3Å; P79-Y81 HydrophobicContact CB-CE2 3.87Å; P79-Y81 HydrophobicContact CG-CE2 3.83Å; P79-Y81 PolarHBondContact O-N 3.02Å
80	V	97.3	Very high	97.5	Very high	33 Å²	33	22.2 Å²	22.2	20%	0.2	11%	0.11	C	C	.	.			trans	-69.2	99.7	169	-176.7	0	0	0	0	109	W82 E195	V80-W82 HydrophobicContact CG1-CZ2 3.85Å; V80-E195 HydrophobicContact CG2-CG 4.04Å
81	Y	97.4	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.			trans	-115.1	137.7	168.3	-63.2	-66	0	0	0	110.1	D25 K30 W32 P79 E86 F87 G90 S198	D25-Y81 PolarHBondContact OD2-OH 2.95Å; K30-Y81 HydrophobicContact CD-CD1 4.32Å; K30-Y81 HydrophobicContact CD-CE1 3.85Å; W32-Y81 HydrophobicContact CH2-CE2 4.16Å; W32-Y81 AromaticContact CZ2-CE2 3.55Å; W32-Y81 HydrophobicContact CZ2-CE2 3.55Å; W32-Y81 AromaticContact CZ2-CZ 3.92Å; W32-Y81 WeakPolarHBondContact CZ2-OH 3.37Å; W32-Y81 PolarHBondContact NE1-OH 2.85Å; P79-Y81 HydrophobicContact CB-CD2 4.3Å; P79-Y81 HydrophobicContact CB-CE2 3.87Å; P79-Y81 HydrophobicContact CG-CE2 3.83Å; P79-Y81 PolarHBondContact O-N 3.02Å; Y81-E86 VanDerWaalsContact CA-OE2 3.28Å; Y81-E86 WeakPolarHBondContact CA-OE2 3.42Å; Y81-E86 HydrophobicContact CD1-CB 4.1Å; Y81-E86 HydrophobicContact CD1-CG 3.54Å; Y81-E86 HydrophobicContact CE1-CG 4.13Å; Y81-F87 HydrophobicContact CD2-CB 4.04Å; Y81-F87 AromaticContact CD2-CD2 3.84Å; Y81-F87 HydrophobicContact CD2-CD2 3.84Å; Y81-F87 HydrophobicContact CD2-CG 4.41Å; Y81-F87 HydrophobicContact CE2-CD2 4.24Å; Y81-F87 HydrophobicContact CG-CB 4.15Å; Y81-G90 WeakPolarHBondContact OH-CA 3.37Å; Y81-S198 VanDerWaalsContact O-CB 3.25Å; Y81-S198 WeakPolarHBondContact O-CB 3.43Å
82	W	95.8	Very high	97.6	Very high	93 Å²	93	25.6 Å²	25.6	35%	0.352	12%	0.121	S	C	.	.	S	Bend	trans	-100.8	-14	-173.9	-66.8	101.6	0	0	0	113.6	V80 E86 W153 A197 T201 Q205	V80-W82 HydrophobicContact CG1-CZ2 3.85Å; W82-E86 PolarHBondContact N-OE2 2.86Å; W82-W153 HydrophobicContact CH2-CB 3.6Å; W82-W153 HydrophobicContact CZ2-CB 4.45Å; W82-W153 HydrophobicContact CZ3-CB 3.88Å; W82-A197 HydrophobicContact CH2-CB 3.72Å; W82-A197 HydrophobicContact CZ3-CB 4.04Å; W82-T201 HydrophobicContact CE3-CG2 4.42Å; W82-Q205 PolarHBondContact O-OE1 3.14Å
83	D	95.4	Very high	97.6	Very high	59 Å²	59	27.4 Å²	27.4	32%	0.316	13%	0.129	S	C	.	.	S	Bend	trans	-142.9	162.9	173.8	75.1	74.9	0	0	0	112.7	L85 E86 F87	D83-L85 VanDerWaalsContact C-N 3.32Å; D83-L85 PolarHBondContact O-N 3.38Å; D83-L85 WeakPolarHBondContact OD1-CA 3.43Å; D83-L85 VanDerWaalsContact OD1-CB 3.25Å; D83-L85 WeakPolarHBondContact OD1-CB 3.02Å; D83-L85 PolarHBondContact OD1-N 2.99Å; D83-E86 PolarHBondContact O-N 2.86Å; D83-E86 PolarHBondContact OD1-N 2.77Å; D83-F87 PolarHBondContact O-N 3.06Å; D83-F87 VanDerWaalsContact O-N 3.1Å
84	H	96.9	Very high	97.6	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-34.2	-175.9	-56.8	97.3	0	0	0	113.5	C88 F113 L202	H84-C88 WeakPolarHBondContact O-CB 3.46Å; H84-C88 PolarHBondContact O-N 3.45Å; H84-C88 PolarHBondContact O-SG 3.31Å; H84-F113 AromaticContact CD2-CE1 3.73Å; H84-F113 AromaticContact NE2-CE1 3.43Å; H84-F113 WeakPolarHBondContact NE2-CE1 3.45Å; H84-L202 PolarHBondContact NE2-O 2.89Å; H84-L202 VanDerWaalsContact NE2-O 3.09Å
85	L	97.3	Very high	97.6	Very high	108 Å²	108	27.4 Å²	27.4	57%	0.565	13%	0.129	S	C	*	.	H	α-helix	trans	-70.9	-43	-178.9	178.7	65.3	0	0	0	109.9	D83 C88 D89 Y121	D83-L85 VanDerWaalsContact C-N 3.32Å; D83-L85 PolarHBondContact O-N 3.38Å; D83-L85 WeakPolarHBondContact OD1-CA 3.43Å; D83-L85 VanDerWaalsContact OD1-CB 3.25Å; D83-L85 WeakPolarHBondContact OD1-CB 3.02Å; D83-L85 PolarHBondContact OD1-N 2.99Å; L85-C88 PolarHBondContact O-N 3.32Å; L85-D89 WeakPolarHBondContact O-CB 3.44Å; L85-D89 PolarHBondContact O-N 2.71Å; L85-Y121 HydrophobicContact CD1-CD2 3.85Å; L85-Y121 HydrophobicContact CD1-CE2 3.39Å
86	E	97.2	Very high	97.5	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.229	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175	-159.9	-168.7	-161.5	0	0	111.4	K30 Y81 W82 D83 C88 D89 G90	K30-E86 WeakPolarHBondContact CE-OE1 3.34Å; K30-E86 IonicContact NZ-OE1 3.55Å; K30-E86 PolarHBondContact NZ-OE1 3.27Å; Y81-E86 VanDerWaalsContact CA-OE2 3.28Å; Y81-E86 WeakPolarHBondContact CA-OE2 3.42Å; Y81-E86 HydrophobicContact CD1-CB 4.1Å; Y81-E86 HydrophobicContact CD1-CG 3.54Å; Y81-E86 HydrophobicContact CE1-CG 4.13Å; W82-E86 PolarHBondContact N-OE2 2.86Å; D83-E86 PolarHBondContact O-N 2.86Å; D83-E86 PolarHBondContact OD1-N 2.77Å; E86-C88 VanDerWaalsContact C-N 3.33Å; E86-C88 PolarHBondContact O-N 3.2Å; E86-D89 PolarHBondContact O-N 3.25Å; E86-G90 PolarHBondContact O-N 3Å
87	F	98.4	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.7	-46.5	173	170.2	-89.5	0	0	0	111.7	W32 L49 Y78 Y81 D83 F91 L114	W32-F87 HydrophobicContact CH2-CD2 4.45Å; W32-F87 AromaticContact CH2-CE2 3.96Å; W32-F87 HydrophobicContact CH2-CE2 3.96Å; L49-F87 HydrophobicContact CD1-CZ 4.4Å; L49-F87 HydrophobicContact CD2-CZ 4.43Å; Y78-F87 HydrophobicContact CD1-CE2 4.16Å; Y78-F87 HydrophobicContact CD2-CD2 4.47Å; Y78-F87 HydrophobicContact CD2-CE2 4.34Å; Y78-F87 HydrophobicContact CG-CD2 4.4Å; Y78-F87 AromaticContact CG-CE2 3.9Å; Y78-F87 HydrophobicContact CG-CE2 3.9Å; Y81-F87 HydrophobicContact CD2-CB 4.04Å; Y81-F87 AromaticContact CD2-CD2 3.84Å; Y81-F87 HydrophobicContact CD2-CD2 3.84Å; Y81-F87 HydrophobicContact CD2-CG 4.41Å; Y81-F87 HydrophobicContact CE2-CD2 4.24Å; Y81-F87 HydrophobicContact CG-CB 4.15Å; D83-F87 PolarHBondContact O-N 3.06Å; D83-F87 VanDerWaalsContact O-N 3.1Å; F87-F91 HydrophobicContact CE1-CB 4.37Å; F87-F91 HydrophobicContact CE1-CD1 4.39Å; F87-F91 HydrophobicContact CZ-CB 4.43Å; F87-F91 HydrophobicContact CZ-CD1 4.48Å; F87-F91 HydrophobicContact CZ-CG 4.47Å; F87-F91 VanDerWaalsContact O-CB 3.25Å; F87-F91 WeakPolarHBondContact O-CB 3.27Å; F87-F91 PolarHBondContact O-N 2.78Å; F87-L114 HydrophobicContact CD1-CB 4.18Å; F87-L114 HydrophobicContact CD1-CD2 3.88Å; F87-L114 HydrophobicContact CD1-CG 4.42Å; F87-L114 HydrophobicContact CD2-CD1 4.05Å; F87-L114 HydrophobicContact CD2-CD2 4.48Å; F87-L114 HydrophobicContact CE1-CB 3.63Å; F87-L114 HydrophobicContact CE1-CD1 4.39Å; F87-L114 HydrophobicContact CE1-CD2 4.23Å; F87-L114 HydrophobicContact CE1-CG 4.29Å; F87-L114 HydrophobicContact CE2-CB 4.44Å; F87-L114 HydrophobicContact CE2-CD1 3.83Å; F87-L114 HydrophobicContact CG-CD1 4.42Å; F87-L114 HydrophobicContact CG-CD2 4.04Å; F87-L114 HydrophobicContact CZ-CB 3.78Å; F87-L114 HydrophobicContact CZ-CD1 4.02Å; F87-L114 HydrophobicContact CZ-CG 4.37Å
88	C	98.6	Very high	97.6	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-177.8	-72.1	0	0	0	0	112.3	H84 L85 E86 R92 F118 Y121	H84-C88 WeakPolarHBondContact O-CB 3.46Å; H84-C88 PolarHBondContact O-N 3.45Å; H84-C88 PolarHBondContact O-SG 3.31Å; L85-C88 PolarHBondContact O-N 3.32Å; E86-C88 VanDerWaalsContact C-N 3.33Å; E86-C88 PolarHBondContact O-N 3.2Å; C88-R92 WeakPolarHBondContact O-CB 3.21Å; C88-R92 PolarHBondContact O-N 3.34Å; C88-F118 HydrophobicContact CB-CD2 4.04Å; C88-F118 WeakPolarHBondContact O-CE2 3.38Å; C88-Y121 HydrophobicContact CB-CD1 3.61Å; C88-Y121 HydrophobicContact CB-CD2 4.08Å; C88-Y121 HydrophobicContact CB-CE1 4.06Å; C88-Y121 HydrophobicContact CB-CE2 4.49Å; C88-Y121 HydrophobicContact CB-CG 3.62Å
89	D	98.2	Very high	97.8	Very high	39 Å²	39	42.2 Å²	42.2	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-48.1	177.4	-173.4	56.8	0	0	0	111.4	L85 E86 F91 R92 K93	L85-D89 WeakPolarHBondContact O-CB 3.44Å; L85-D89 PolarHBondContact O-N 2.71Å; E86-D89 PolarHBondContact O-N 3.25Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 3.13Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.47Å; D89-R92 IonicContact OD1-CZ 2.7Å; D89-R92 IonicContact OD1-NE 2.91Å; D89-R92 IonicContact OD1-NH2 3.79Å; D89-R92 PolarHBondContact OD1-NH2 2.74Å; D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 2.86Å; D89-K93 WeakPolarHBondContact OD2-CE 3.15Å; D89-K93 IonicContact OD2-NZ 2.92Å; D89-K93 PolarHBondContact OD2-NZ 3.16Å
90	G	98.3	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-39.4	175.8	0	0	0	0	0	112.6	Y81 E86 K93 L94	Y81-G90 WeakPolarHBondContact OH-CA 3.37Å; E86-G90 PolarHBondContact O-N 3Å; G90-K93 PolarHBondContact O-N 2.82Å; G90-L94 PolarHBondContact O-N 2.94Å
91	F	98.8	Very high	97.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-39.7	176.4	-171.9	-140	0	0	0	111.9	W32 I47 L76 F87 D89 K93 L94 L95 L105 F118	W32-F91 HydrophobicContact CH2-CB 3.9Å; W32-F91 AromaticContact CH2-CD2 3.84Å; W32-F91 HydrophobicContact CH2-CD2 3.84Å; W32-F91 HydrophobicContact CH2-CG 4.19Å; W32-F91 HydrophobicContact CZ2-CB 4.05Å; W32-F91 HydrophobicContact CZ2-CD2 4.44Å; W32-F91 HydrophobicContact CZ3-CD2 4.2Å; I47-F91 HydrophobicContact CD1-CE2 4.44Å; I47-F91 HydrophobicContact CD1-CZ 4.24Å; I47-F91 HydrophobicContact CG2-CZ 4.32Å; L76-F91 HydrophobicContact CD1-CD2 4.11Å; L76-F91 HydrophobicContact CD1-CE2 3.45Å; L76-F91 VanDerWaalsContact CD1-CE2 3.45Å; L76-F91 HydrophobicContact CD1-CZ 4.23Å; F87-F91 HydrophobicContact CE1-CB 4.37Å; F87-F91 HydrophobicContact CE1-CD1 4.39Å; F87-F91 HydrophobicContact CZ-CB 4.43Å; F87-F91 HydrophobicContact CZ-CD1 4.48Å; F87-F91 HydrophobicContact CZ-CG 4.47Å; F87-F91 VanDerWaalsContact O-CB 3.25Å; F87-F91 WeakPolarHBondContact O-CB 3.27Å; F87-F91 PolarHBondContact O-N 2.78Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 3.13Å; F91-K93 PolarHBondContact O-N 3.02Å; F91-L94 HydrophobicContact CD2-CD2 4.2Å; F91-L94 HydrophobicContact CE2-CD2 4.38Å; F91-L94 WeakPolarHBondContact O-CB 3.45Å; F91-L94 PolarHBondContact O-N 3.21Å; F91-L95 HydrophobicContact CD2-CD2 4.48Å; F91-L95 HydrophobicContact CE2-CD2 3.82Å; F91-L95 HydrophobicContact CE2-CG 4.31Å; F91-L95 HydrophobicContact CZ-CD2 4.01Å; F91-L95 HydrophobicContact CZ-CG 4.47Å; F91-L95 WeakPolarHBondContact O-CG 3.47Å; F91-L95 PolarHBondContact O-N 3.44Å; F91-L105 HydrophobicContact CE1-CD1 4.19Å; F91-L105 HydrophobicContact CE1-CD2 4.07Å; F91-L105 HydrophobicContact CZ-CD2 3.88Å; F91-F118 HydrophobicContact CB-CD2 4.36Å; F91-F118 HydrophobicContact CB-CE2 4.28Å; F91-F118 HydrophobicContact CD1-CB 4.2Å; F91-F118 AromaticContact CD1-CD1 3.54Å; F91-F118 HydrophobicContact CD1-CD1 3.54Å; F91-F118 AromaticContact CD1-CD2 3.69Å; F91-F118 HydrophobicContact CD1-CD2 3.69Å; F91-F118 AromaticContact CD1-CE1 3.71Å; F91-F118 HydrophobicContact CD1-CE1 3.71Å; F91-F118 AromaticContact CD1-CE2 3.84Å; F91-F118 HydrophobicContact CD1-CE2 3.84Å; F91-F118 AromaticContact CD1-CG 3.52Å; F91-F118 HydrophobicContact CD1-CG 3.52Å; F91-F118 AromaticContact CD1-CZ 3.85Å; F91-F118 HydrophobicContact CD1-CZ 3.85Å; F91-F118 AromaticContact CE1-CD1 3.55Å; F91-F118 HydrophobicContact CE1-CD1 3.55Å; F91-F118 AromaticContact CE1-CE1 3.73Å; F91-F118 HydrophobicContact CE1-CE1 3.73Å; F91-F118 AromaticContact CE1-CG 3.99Å; F91-F118 HydrophobicContact CE1-CG 3.99Å; F91-F118 HydrophobicContact CE1-CZ 4.29Å; F91-F118 HydrophobicContact CG-CD2 4.48Å; F91-F118 HydrophobicContact CG-CE2 4.4Å
92	R	98.6	Very high	97.8	Very high	79 Å²	79	47 Å²	47	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-47.8	172.2	-176.1	-176.7	60.4	75.9	-1.5	111.4	C88 D89 L94 L95 D96 F118	C88-R92 WeakPolarHBondContact O-CB 3.21Å; C88-R92 PolarHBondContact O-N 3.34Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.47Å; D89-R92 IonicContact OD1-CZ 2.7Å; D89-R92 IonicContact OD1-NE 2.91Å; D89-R92 IonicContact OD1-NH2 3.79Å; D89-R92 PolarHBondContact OD1-NH2 2.74Å; R92-L94 VanDerWaalsContact C-N 3.28Å; R92-L94 PolarHBondContact O-N 3.05Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-L95 VanDerWaalsContact O-N 3.15Å; R92-D96 IonicContact NH1-OD2 2.81Å; R92-D96 PolarHBondContact NH1-OD2 3.24Å; R92-D96 PolarHBondContact O-N 2.79Å; R92-F118 HydrophobicContact CB-CE2 3.99Å; R92-F118 HydrophobicContact CB-CZ 4.33Å
93	K	98.5	Very high	97.9	Very high	52 Å²	52	42.6 Å²	42.6	23%	0.226	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-38.1	176.6	-66.9	173.1	-171.1	152.8	0	111.8	V24 D25 D89 G90 F91 D96 H97	V24-K93 HydrophobicContact CB-CB 3.88Å; V24-K93 HydrophobicContact CG2-CB 3.76Å; V24-K93 WeakPolarHBondContact O-CD 3.4Å; D25-K93 IonicContact OD1-NZ 3.4Å; D25-K93 PolarHBondContact OD1-NZ 2.6Å; D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 2.86Å; D89-K93 WeakPolarHBondContact OD2-CE 3.15Å; D89-K93 IonicContact OD2-NZ 2.92Å; D89-K93 PolarHBondContact OD2-NZ 3.16Å; G90-K93 PolarHBondContact O-N 2.82Å; F91-K93 PolarHBondContact O-N 3.02Å; K93-D96 PolarHBondContact O-N 2.75Å; K93-H97 WeakPolarHBondContact O-CB 3.5Å; K93-H97 PolarHBondContact O-N 3.41Å
94	L	98.8	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-46.2	173.5	-179.7	68.5	0	0	0	111.9	I22 V24 W32 L34 L76 G90 F91 R92 D96 H97 L98	I22-L94 HydrophobicContact CB-CD1 4.32Å; I22-L94 HydrophobicContact CD1-CD1 4.24Å; I22-L94 HydrophobicContact CG2-CD1 4.2Å; V24-L94 HydrophobicContact CG1-CD1 4.32Å; V24-L94 HydrophobicContact CG2-CB 4.43Å; W32-L94 HydrophobicContact CB-CD1 4.2Å; W32-L94 HydrophobicContact CB-CD2 4.37Å; W32-L94 HydrophobicContact CD2-CB 4.48Å; W32-L94 HydrophobicContact CD2-CD2 3.63Å; W32-L94 HydrophobicContact CD2-CG 4.45Å; W32-L94 HydrophobicContact CE3-CD2 3.58Å; W32-L94 HydrophobicContact CG-CD1 4.16Å; W32-L94 HydrophobicContact CG-CD2 3.99Å; W32-L94 HydrophobicContact CG-CG 4.48Å; W32-L94 HydrophobicContact CZ3-CD2 4.06Å; L34-L94 HydrophobicContact CD2-CD1 4.21Å; L76-L94 HydrophobicContact CD1-CD2 3.96Å; L76-L94 HydrophobicContact CD2-CD2 3.96Å; G90-L94 PolarHBondContact O-N 2.94Å; F91-L94 HydrophobicContact CD2-CD2 4.2Å; F91-L94 HydrophobicContact CE2-CD2 4.38Å; F91-L94 WeakPolarHBondContact O-CB 3.45Å; F91-L94 PolarHBondContact O-N 3.21Å; R92-L94 VanDerWaalsContact C-N 3.28Å; R92-L94 PolarHBondContact O-N 3.05Å; L94-D96 VanDerWaalsContact C-N 3.29Å; L94-D96 PolarHBondContact O-N 3.38Å; L94-H97 PolarHBondContact O-N 3.3Å; L94-L98 HydrophobicContact CD1-CD1 4.01Å; L94-L98 HydrophobicContact CD1-CG 4.18Å; L94-L98 HydrophobicContact CD2-CD1 4.49Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.44Å; L94-L98 WeakPolarHBondContact O-CB 3.37Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.39Å
95	L	98.6	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-39.8	177.1	-61.4	-170.2	0	0	0	111.7	I47 F91 R92 L98 Q99 L100 V103 F118 R127	I47-L95 HydrophobicContact CD1-CD2 3.63Å; F91-L95 HydrophobicContact CD2-CD2 4.48Å; F91-L95 HydrophobicContact CE2-CD2 3.82Å; F91-L95 HydrophobicContact CE2-CG 4.31Å; F91-L95 HydrophobicContact CZ-CD2 4.01Å; F91-L95 HydrophobicContact CZ-CG 4.47Å; F91-L95 WeakPolarHBondContact O-CG 3.47Å; F91-L95 PolarHBondContact O-N 3.44Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-L95 VanDerWaalsContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.44Å; L95-Q99 PolarHBondContact O-N 3.37Å; L95-Q99 VanDerWaalsContact O-N 3.09Å; L95-L100 HydrophobicContact CD2-CD1 3.88Å; L95-L100 PolarHBondContact O-N 3.35Å; L95-V103 HydrophobicContact CD1-CG1 4.33Å; L95-V103 HydrophobicContact CD1-CG2 4Å; L95-V103 HydrophobicContact CD2-CG1 4.04Å; L95-V103 HydrophobicContact CD2-CG2 4.48Å; L95-F118 HydrophobicContact CD1-CE1 3.73Å; L95-F118 HydrophobicContact CD1-CZ 3.77Å; L95-R127 HydrophobicContact CD1-CB 4.27Å
96	D	98.4	Very high	98.3	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-65.8	-45.1	176.7	-65.6	-20.9	0	0	0	111.5	R92 K93 L94 L98 Q99 R127	R92-D96 IonicContact NH1-OD2 2.81Å; R92-D96 PolarHBondContact NH1-OD2 3.24Å; R92-D96 PolarHBondContact O-N 2.79Å; K93-D96 PolarHBondContact O-N 2.75Å; L94-D96 VanDerWaalsContact C-N 3.29Å; L94-D96 PolarHBondContact O-N 3.38Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.07Å; D96-Q99 PolarHBondContact O-N 3.42Å; D96-R127 IonicContact OD1-CZ 3.85Å; D96-R127 VanDerWaalsContact OD1-CZ 3.29Å; D96-R127 IonicContact OD1-NH1 3Å; D96-R127 PolarHBondContact OD1-NH1 3.28Å; D96-R127 IonicContact OD1-NH2 3.29Å; D96-R127 PolarHBondContact OD1-NH2 3.14Å
97	H	98.4	Very high	98.3	Very high	112 Å²	112	31.5 Å²	31.5	52%	0.519	15%	0.149	S	C	.	.	H	α-helix	trans	-59.5	-41.6	175.4	179.7	95.2	0	0	0	112.1	V24 K93 L94 Q99	V24-H97 HydrophobicContact CG1-CB 3.82Å; K93-H97 WeakPolarHBondContact O-CB 3.5Å; K93-H97 PolarHBondContact O-N 3.41Å; L94-H97 PolarHBondContact O-N 3.3Å; H97-Q99 PolarHBondContact O-N 3.48Å
98	L	98.1	Very high	98.3	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.168	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.7	177.1	-66.6	176.3	0	0	0	113.4	I22 I74 L94 L95 D96 L100	I22-L98 HydrophobicContact CD1-CD2 3.76Å; I74-L98 HydrophobicContact CD1-CD1 4.31Å; L94-L98 HydrophobicContact CD1-CD1 4.01Å; L94-L98 HydrophobicContact CD1-CG 4.18Å; L94-L98 HydrophobicContact CD2-CD1 4.49Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.44Å; L94-L98 WeakPolarHBondContact O-CB 3.37Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.39Å; L95-L98 PolarHBondContact O-N 3.44Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.07Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 HydrophobicContact CB-CD1 3.89Å; L98-L100 HydrophobicContact CB-CD2 4.33Å; L98-L100 HydrophobicContact CB-CG 3.69Å; L98-L100 HydrophobicContact CD1-CD1 4.04Å; L98-L100 PolarHBondContact O-N 2.9Å
99	Q	97.9	Very high	98.2	Very high	130 Å²	130	32.9 Å²	32.9	61%	0.607	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	42.9	-178.1	-56.3	-175.7	-13.9	0	0	113.4	L95 D96 H97	L95-Q99 PolarHBondContact O-N 3.37Å; L95-Q99 VanDerWaalsContact O-N 3.09Å; D96-Q99 PolarHBondContact O-N 3.42Å; H97-Q99 PolarHBondContact O-N 3.48Å
100	L	98.3	Very high	98.2	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.15	C	C	.	.			trans	-92.8	142.5	-179.8	-55.7	-179.5	0	0	0	111.1	R43 P45 I47 I74 L95 L98 V103 R127	R43-L100 WeakPolarHBondContact O-CA 3.28Å; P45-L100 HydrophobicContact CG-CD1 3.73Å; P45-L100 HydrophobicContact CG-CD2 3.91Å; P45-L100 HydrophobicContact CG-CG 4.38Å; I47-L100 HydrophobicContact CD1-CD1 4.06Å; I74-L100 HydrophobicContact CD1-CD1 3.94Å; L95-L100 HydrophobicContact CD2-CD1 3.88Å; L95-L100 PolarHBondContact O-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 HydrophobicContact CB-CD1 3.89Å; L98-L100 HydrophobicContact CB-CD2 4.33Å; L98-L100 HydrophobicContact CB-CG 3.69Å; L98-L100 HydrophobicContact CD1-CD1 4.04Å; L98-L100 PolarHBondContact O-N 2.9Å; L100-V103 HydrophobicContact CB-CG1 4.08Å; L100-V103 HydrophobicContact CD1-CG1 4.11Å; L100-R127 PolarHBondContact O-NH2 3.14Å
101	D	96.3	Very high	98.2	Very high	83 Å²	83	31 Å²	31	44%	0.444	15%	0.15	S	C	.	.			trans	-82.1	-108.1	179.3	-65	-37.7	0	0	0	110.2	R43 R127	R43-D101 WeakPolarHBondContact CB-OD2 3.44Å; R43-D101 PolarHBondContact O-N 3.45Å; D101-R127 PolarHBondContact O-NE 2.69Å
102	K	96.9	Very high	98.2	Very high	55 Å²	55	31 Å²	31	24%	0.239	15%	0.15	C	C	.	.	S	Bend	trans	-96.5	143	167.2	-63.3	-169.6	178.9	-173.5	0	109.7	C44 P126 R127 H129 Y281	C44-K102 WeakPolarHBondContact CA-O 3.45Å; C44-K102 WeakPolarHBondContact CB-O 3.49Å; C44-K102 PolarHBondContact SG-O 3.01Å; K102-P126 VanDerWaalsContact CE-O 3.28Å; K102-P126 WeakPolarHBondContact CE-O 3.46Å; K102-R127 CarbonylContact C-O 2.88Å; K102-R127 VanDerWaalsContact CA-O 3.29Å; K102-R127 WeakPolarHBondContact CA-O 3.35Å; K102-H129 HydrophobicContact CB-CB 3.95Å; K102-H129 HydrophobicContact CD-CB 4.47Å; K102-Y281 HydrophobicContact CB-CD1 4.33Å; K102-Y281 HydrophobicContact CD-CD1 4.46Å; K102-Y281 HydrophobicContact CD-CE1 4.07Å; K102-Y281 HydrophobicContact CG-CE1 4.29Å
103	V	98.8	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.8	-176.8	-60.7	0	0	0	0	111.9	P45 I47 L95 L100 L105 R127 H129	P45-V103 HydrophobicContact CG-CG1 4.3Å; I47-V103 HydrophobicContact CD1-CB 3.96Å; I47-V103 HydrophobicContact CD1-CG1 3.77Å; I47-V103 HydrophobicContact CD1-CG2 4.2Å; I47-V103 HydrophobicContact CG1-CB 4.22Å; I47-V103 HydrophobicContact CG1-CG1 4.39Å; L95-V103 HydrophobicContact CD1-CG1 4.33Å; L95-V103 HydrophobicContact CD1-CG2 4Å; L95-V103 HydrophobicContact CD2-CG1 4.04Å; L95-V103 HydrophobicContact CD2-CG2 4.48Å; L100-V103 HydrophobicContact CB-CG1 4.08Å; L100-V103 HydrophobicContact CD1-CG1 4.11Å; V103-L105 HydrophobicContact CB-CD2 4.42Å; V103-L105 HydrophobicContact CG2-CD2 3.58Å; V103-L105 HydrophobicContact CG2-CG 4.09Å; V103-R127 PolarHBondContact N-O 2.72Å; V103-H129 PolarHBondContact O-N 3.43Å
104	H	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.3	166.6	-58.2	-82	0	0	0	108.2	P45 L46 I47 H129 S130 L273 F276 Y281	P45-H104 PolarHBondContact O-N 3.23Å; L46-H104 CarbonylContact C-O 3.54Å; L46-H104 WeakPolarHBondContact CA-O 3.22Å; L46-H104 HydrophobicContact CD1-CB 3.81Å; I47-H104 PolarHBondContact N-O 3.33Å; H104-H129 AromaticContact CE1-CD2 3.34Å; H104-H129 PolarHBondContact CE1-CD2 3.02Å; H104-H129 AromaticContact CE1-CG 3.9Å; H104-H129 AromaticContact NE2-CD2 3.83Å; H104-S130 PolarHBondContact ND1-OG 3.49Å; H104-L273 HydrophobicContact CB-CD2 3.91Å; H104-F276 AromaticContact CE1-CD2 3.21Å; H104-F276 WeakPolarHBondContact CE1-CD2 3Å; H104-F276 AromaticContact CE1-CE2 3.47Å; H104-F276 VanDerWaalsContact CE1-CE2 3.47Å; H104-F276 WeakPolarHBondContact CE1-CE2 3.27Å; H104-F276 AromaticContact CE1-CG 3.53Å; H104-F276 AromaticContact CE1-CZ 3.99Å; H104-F276 AromaticContact ND1-CD2 3.81Å; H104-F276 AromaticContact ND1-CE2 3.68Å; H104-Y281 PolarHBondContact NE2-O 3.2Å
105	L	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.9	-177.4	-60.6	-177	0	0	0	110.5	I47 F91 V103 A115 F118 V128 S130 L131 I132	I47-L105 HydrophobicContact CB-CD2 3.78Å; I47-L105 HydrophobicContact CG1-CD2 4.45Å; I47-L105 HydrophobicContact CG2-CD2 4.36Å; I47-L105 WeakPolarHBondContact O-CA 3.43Å; F91-L105 HydrophobicContact CE1-CD1 4.19Å; F91-L105 HydrophobicContact CE1-CD2 4.07Å; F91-L105 HydrophobicContact CZ-CD2 3.88Å; V103-L105 HydrophobicContact CB-CD2 4.42Å; V103-L105 HydrophobicContact CG2-CD2 3.58Å; V103-L105 HydrophobicContact CG2-CG 4.09Å; L105-A115 HydrophobicContact CB-CB 4.06Å; L105-A115 HydrophobicContact CD1-CB 3.87Å; L105-F118 HydrophobicContact CD1-CD1 4.22Å; L105-V128 HydrophobicContact CD1-CG1 4.09Å; L105-V128 HydrophobicContact CD1-CG2 3.63Å; L105-V128 HydrophobicContact CG-CG1 4.2Å; L105-V128 HydrophobicContact CG-CG2 4.35Å; L105-S130 PolarHBondContact N-O 3.35Å; L105-L131 HydrophobicContact CB-CD2 4Å; L105-L131 HydrophobicContact CD1-CD2 4.31Å; L105-L131 CarbonylContact O-C 3.43Å; L105-L131 WeakPolarHBondContact O-CA 3.29Å; L105-I132 PolarHBondContact O-N 3.34Å
106	F	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126	161	-177.9	-75.5	0	0	0	108.3	L46 I47 F48 L49 F59 A108 I132 C134 M222 V265 V269	L46-F106 HydrophobicContact CD1-CB 4.19Å; I47-F106 PolarHBondContact O-N 3.16Å; F48-F106 CarbonylContact C-O 3.48Å; F48-F106 VanDerWaalsContact CA-O 3.32Å; F48-F106 WeakPolarHBondContact CA-O 3.49Å; F48-F106 HydrophobicContact CD1-CB 3.61Å; F48-F106 AromaticContact CD1-CD1 3.26Å; F48-F106 HydrophobicContact CD1-CD1 3.26Å; F48-F106 HydrophobicContact CD1-CD2 4.35Å; F48-F106 AromaticContact CD1-CE1 3.97Å; F48-F106 HydrophobicContact CD1-CE1 3.97Å; F48-F106 AromaticContact CD1-CG 3.49Å; F48-F106 HydrophobicContact CD1-CG 3.49Å; F48-F106 VanDerWaalsContact CD1-CG 3.49Å; F48-F106 HydrophobicContact CE1-CB 3.62Å; F48-F106 AromaticContact CE1-CD1 3.51Å; F48-F106 HydrophobicContact CE1-CD1 3.51Å; F48-F106 AromaticContact CE1-CD2 3.77Å; F48-F106 HydrophobicContact CE1-CD2 3.77Å; F48-F106 HydrophobicContact CE1-CE1 4.05Å; F48-F106 HydrophobicContact CE1-CE2 4.28Å; F48-F106 AromaticContact CE1-CG 3.34Å; F48-F106 HydrophobicContact CE1-CG 3.34Å; F48-F106 HydrophobicContact CE1-CZ 4.4Å; F48-F106 HydrophobicContact CG-CB 4.13Å; F48-F106 HydrophobicContact CG-CD1 4.33Å; F48-F106 HydrophobicContact CG-CG 4.46Å; F48-F106 HydrophobicContact CZ-CB 4.18Å; F48-F106 HydrophobicContact CZ-CG 4.26Å; L49-F106 PolarHBondContact N-O 3.41Å; F59-F106 HydrophobicContact CE1-CD1 4.17Å; F59-F106 AromaticContact CE1-CE1 3.86Å; F59-F106 HydrophobicContact CE1-CE1 3.86Å; F106-A108 HydrophobicContact CE1-CB 4.39Å; F106-I132 WeakPolarHBondContact CA-O 3.47Å; F106-I132 HydrophobicContact CB-CB 4.36Å; F106-I132 HydrophobicContact CD2-CB 3.77Å; F106-I132 HydrophobicContact CD2-CD1 4.37Å; F106-I132 HydrophobicContact CD2-CG2 3.47Å; F106-I132 VanDerWaalsContact CD2-CG2 3.47Å; F106-I132 HydrophobicContact CE2-CG2 3.78Å; F106-I132 HydrophobicContact CG-CB 4.39Å; F106-I132 HydrophobicContact CG-CG2 4.47Å; F106-C134 HydrophobicContact CE1-CB 3.76Å; F106-C134 HydrophobicContact CE2-CB 4.01Å; F106-C134 HydrophobicContact CZ-CB 3.33Å; F106-M222 HydrophobicContact CE2-CE 4.36Å; F106-M222 HydrophobicContact CE2-SD 4.34Å; F106-V265 HydrophobicContact CE2-CG1 4Å; F106-V265 HydrophobicContact CZ-CG1 4.1Å; F106-V269 HydrophobicContact CD2-CG2 3.86Å; F106-V269 HydrophobicContact CE2-CG2 4.03Å
107	G	98.6	Very high	98.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.7	177.4	0	0	0	0	0	112.1	G112 I132 C134	G107-G112 VanDerWaalsContact C-N 3.33Å; G107-I132 PolarHBondContact N-O 2.82Å; G107-C134 PolarHBondContact O-N 3.09Å
108	A	98.1	Very high	98.2	Very high	3 Å²	3	17 Å²	17	3%	0.025	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.7	176.3	0	0	0	0	0	111.1	L49 P51 F59 F106 L110 G111 C134 Y258	L49-A108 PolarHBondContact O-N 3.39Å; L49-A108 VanDerWaalsContact O-N 3.07Å; P51-A108 VanDerWaalsContact CA-O 3.32Å; P51-A108 WeakPolarHBondContact CA-O 3.31Å; F59-A108 HydrophobicContact CZ-CB 4.33Å; F106-A108 HydrophobicContact CE1-CB 4.39Å; A108-L110 PolarHBondContact O-N 2.83Å; A108-G111 PolarHBondContact O-N 2.88Å; A108-C134 VanDerWaalsContact CA-O 3.28Å; A108-C134 WeakPolarHBondContact CA-O 3.39Å; A108-Y258 HydrophobicContact CB-CD1 4.24Å; A108-Y258 HydrophobicContact CB-CE1 3.68Å
109	S	96.5	Very high	98.2	Very high	31 Å²	31	15.6 Å²	15.6	22%	0.217	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-120.9	-179.5	-174	0	0	0	0	111.9	G111 G112 F113 C134 N135 S136	S109-G111 PolarHBondContact O-N 2.81Å; S109-G111 VanDerWaalsContact O-N 3.17Å; S109-G112 WeakPolarHBondContact O-CA 3.47Å; S109-G112 PolarHBondContact O-N 3.4Å; S109-F113 PolarHBondContact O-N 2.96Å; S109-F113 VanDerWaalsContact O-N 3.08Å; S109-C134 PolarHBondContact N-O 3.45Å; S109-C134 VanDerWaalsContact N-O 3.08Å; S109-N135 WeakPolarHBondContact CA-O 3.47Å; S109-N135 PolarHBondContact N-O 2.74Å; S109-S136 PolarHBondContact O-OG 2.96Å
110	L	97.7	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-48.8	-41.2	174.3	176.3	61.4	0	0	0	112.7	V52 Y78 A108 G112 F113 L114 R199 L202 N203	V52-L110 HydrophobicContact CG2-CB 3.91Å; V52-L110 HydrophobicContact CG2-CD2 3.64Å; V52-L110 HydrophobicContact CG2-CG 4.41Å; Y78-L110 WeakPolarHBondContact OH-CD2 3.26Å; A108-L110 PolarHBondContact O-N 2.83Å; L110-G112 PolarHBondContact O-N 2.84Å; L110-F113 HydrophobicContact CD1-CD1 4.46Å; L110-F113 WeakPolarHBondContact O-CB 3.5Å; L110-F113 PolarHBondContact O-N 2.9Å; L110-F113 VanDerWaalsContact O-N 3.12Å; L110-L114 HydrophobicContact CD1-CD1 4.12Å; L110-L114 HydrophobicContact CD1-CD2 4.42Å; L110-L114 HydrophobicContact CD1-CG 3.93Å; L110-L114 HydrophobicContact CD2-CD1 4.38Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.15Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.71Å; L110-R199 HydrophobicContact CD2-CB 4.08Å; L110-R199 VanDerWaalsContact CD2-O 3.29Å; L110-R199 WeakPolarHBondContact CD2-O 3.47Å; L110-L202 HydrophobicContact CD1-CB 4.1Å; L110-L202 HydrophobicContact CD2-CB 4.34Å; L110-N203 HydrophobicContact CD1-CB 4.11Å; L110-N203 HydrophobicContact CD2-CB 4.35Å
111	G	98.5	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.2	-32.9	177.5	0	0	0	0	0	113	L49 P50 A108 S109 A115	L49-G111 WeakPolarHBondContact CD1-O 3.38Å; P50-G111 WeakPolarHBondContact O-CA 3.37Å; P50-G111 PolarHBondContact O-N 3.11Å; A108-G111 PolarHBondContact O-N 2.88Å; S109-G111 PolarHBondContact O-N 2.81Å; S109-G111 VanDerWaalsContact O-N 3.17Å; G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 3Å
112	G	98.3	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-73	-38.2	173.4	0	0	0	0	0	112.6	G107 S109 L110 A115 Q116 S136	G107-G112 VanDerWaalsContact C-N 3.33Å; S109-G112 WeakPolarHBondContact O-CA 3.47Å; S109-G112 PolarHBondContact O-N 3.4Å; L110-G112 PolarHBondContact O-N 2.84Å; G112-A115 PolarHBondContact O-N 3.21Å; G112-Q116 VanDerWaalsContact O-CG 3.28Å; G112-Q116 WeakPolarHBondContact O-CG 3.19Å; G112-Q116 PolarHBondContact O-N 3.41Å; G112-Q116 VanDerWaalsContact O-N 3.16Å; G112-Q116 PolarHBondContact O-NE2 3.36Å; G112-S136 VanDerWaalsContact CA-OG 3.28Å; G112-S136 WeakPolarHBondContact CA-OG 3.22Å
113	F	98.4	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-47.3	172.5	-178.5	-104.3	0	0	0	111.5	H84 S109 L110 A115 Q116 K117 S136 F137 S138 T140 V209	H84-F113 AromaticContact CD2-CE1 3.73Å; H84-F113 AromaticContact NE2-CE1 3.43Å; H84-F113 WeakPolarHBondContact NE2-CE1 3.45Å; S109-F113 PolarHBondContact O-N 2.96Å; S109-F113 VanDerWaalsContact O-N 3.08Å; L110-F113 HydrophobicContact CD1-CD1 4.46Å; L110-F113 WeakPolarHBondContact O-CB 3.5Å; L110-F113 PolarHBondContact O-N 2.9Å; L110-F113 VanDerWaalsContact O-N 3.12Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.44Å; F113-Q116 WeakPolarHBondContact O-CB 3.5Å; F113-Q116 PolarHBondContact O-N 3.42Å; F113-Q116 VanDerWaalsContact O-N 3.14Å; F113-K117 HydrophobicContact CD1-CG 4.17Å; F113-K117 HydrophobicContact CE1-CD 4.25Å; F113-K117 HydrophobicContact CE1-CG 3.71Å; F113-K117 HydrophobicContact CE2-CD 4.31Å; F113-K117 HydrophobicContact CE2-CG 4.37Å; F113-K117 HydrophobicContact CZ-CD 3.84Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 PolarHBondContact O-N 3.03Å; F113-S136 PolarHBondContact N-OG 3.29Å; F113-F137 HydrophobicContact CB-CD2 4.09Å; F113-F137 HydrophobicContact CB-CE1 4.27Å; F113-F137 HydrophobicContact CB-CE2 3.55Å; F113-F137 HydrophobicContact CB-CZ 3.65Å; F113-F137 AromaticContact CD1-CE2 4Å; F113-F137 HydrophobicContact CD1-CE2 4Å; F113-F137 HydrophobicContact CD1-CZ 4.45Å; F113-F137 AromaticContact CD2-CD2 3.69Å; F113-F137 HydrophobicContact CD2-CD2 3.69Å; F113-F137 AromaticContact CD2-CE2 3.55Å; F113-F137 HydrophobicContact CD2-CE2 3.55Å; F113-F137 HydrophobicContact CD2-CZ 4.49Å; F113-F137 HydrophobicContact CE2-CD2 4.38Å; F113-F137 HydrophobicContact CE2-CE2 4.24Å; F113-F137 AromaticContact CG-CD2 3.99Å; F113-F137 HydrophobicContact CG-CD2 3.99Å; F113-F137 AromaticContact CG-CE2 3.41Å; F113-F137 HydrophobicContact CG-CE2 3.41Å; F113-F137 VanDerWaalsContact CG-CE2 3.41Å; F113-F137 AromaticContact CG-CZ 3.96Å; F113-F137 HydrophobicContact CG-CZ 3.96Å; F113-S138 WeakPolarHBondContact CE2-O 3.38Å; F113-T140 HydrophobicContact CD1-CG2 4.29Å; F113-T140 HydrophobicContact CE1-CG2 3.66Å; F113-T140 HydrophobicContact CE2-CG2 4.18Å; F113-T140 HydrophobicContact CZ-CG2 3.61Å; F113-V209 HydrophobicContact CD2-CG2 4.08Å; F113-V209 HydrophobicContact CE2-CG2 3.78Å
114	L	98.7	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-37.7	176.5	-69.2	176.2	0	0	0	112.6	Y78 F87 L110 Q116 K117 F118 L202	Y78-L114 HydrophobicContact CE1-CD1 4.27Å; Y78-L114 HydrophobicContact CE2-CD1 4Å; F87-L114 HydrophobicContact CD1-CB 4.18Å; F87-L114 HydrophobicContact CD1-CD2 3.88Å; F87-L114 HydrophobicContact CD1-CG 4.42Å; F87-L114 HydrophobicContact CD2-CD1 4.05Å; F87-L114 HydrophobicContact CD2-CD2 4.48Å; F87-L114 HydrophobicContact CE1-CB 3.63Å; F87-L114 HydrophobicContact CE1-CD1 4.39Å; F87-L114 HydrophobicContact CE1-CD2 4.23Å; F87-L114 HydrophobicContact CE1-CG 4.29Å; F87-L114 HydrophobicContact CE2-CB 4.44Å; F87-L114 HydrophobicContact CE2-CD1 3.83Å; F87-L114 HydrophobicContact CG-CD1 4.42Å; F87-L114 HydrophobicContact CG-CD2 4.04Å; F87-L114 HydrophobicContact CZ-CB 3.78Å; F87-L114 HydrophobicContact CZ-CD1 4.02Å; F87-L114 HydrophobicContact CZ-CG 4.37Å; L110-L114 HydrophobicContact CD1-CD1 4.12Å; L110-L114 HydrophobicContact CD1-CD2 4.42Å; L110-L114 HydrophobicContact CD1-CG 3.93Å; L110-L114 HydrophobicContact CD2-CD1 4.38Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.15Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.71Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.36Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 3.09Å; L114-L202 HydrophobicContact CD1-CD1 4.36Å; L114-L202 HydrophobicContact CD2-CD1 4.39Å
115	A	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-43.6	173.3	0	0	0	0	0	111.9	L49 L105 G111 G112 F113 F118 A119 L131	L49-A115 HydrophobicContact CD1-CB 3.98Å; L105-A115 HydrophobicContact CB-CB 4.06Å; L105-A115 HydrophobicContact CD1-CB 3.87Å; G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 3Å; G112-A115 PolarHBondContact O-N 3.21Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.44Å; A115-F118 PolarHBondContact O-N 3.17Å; A115-A119 PolarHBondContact O-N 3.39Å; A115-L131 HydrophobicContact CB-CD2 3.76Å
116	Q	98.6	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-44.3	177.3	-65.2	169.1	82.8	0	0	111.5	G112 F113 L114 F118 A119 E120 L131 L133 S136 F137 V209 Y242	G112-Q116 VanDerWaalsContact O-CG 3.28Å; G112-Q116 WeakPolarHBondContact O-CG 3.19Å; G112-Q116 PolarHBondContact O-N 3.41Å; G112-Q116 VanDerWaalsContact O-N 3.16Å; G112-Q116 PolarHBondContact O-NE2 3.36Å; F113-Q116 WeakPolarHBondContact O-CB 3.5Å; F113-Q116 PolarHBondContact O-N 3.42Å; F113-Q116 VanDerWaalsContact O-N 3.14Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.36Å; Q116-F118 VanDerWaalsContact C-N 3.28Å; Q116-F118 PolarHBondContact O-N 3.43Å; Q116-A119 WeakPolarHBondContact O-CB 3.5Å; Q116-A119 PolarHBondContact O-N 2.62Å; Q116-E120 WeakPolarHBondContact O-CB 3.44Å; Q116-E120 PolarHBondContact O-N 2.8Å; Q116-L131 HydrophobicContact CG-CD1 4.39Å; Q116-L133 HydrophobicContact CG-CD1 3.92Å; Q116-L133 HydrophobicContact CG-CD2 3.84Å; Q116-S136 PolarHBondContact NE2-OG 2.88Å; Q116-F137 PolarHBondContact NE2-O 3.33Å; Q116-V209 HydrophobicContact CB-CG1 4.04Å; Q116-V209 HydrophobicContact CB-CG2 3.66Å; Q116-Y242 VanDerWaalsContact CD-OH 3.27Å; Q116-Y242 VanDerWaalsContact CG-OH 3.24Å; Q116-Y242 WeakPolarHBondContact CG-OH 3.15Å; Q116-Y242 PolarHBondContact OE1-OH 3.37Å
117	K	98.6	Very high	97.9	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-35.6	175.5	-67.5	-53.5	-59.9	174.3	0	112.3	F113 L114 E120 Y121 Y208 V209	F113-K117 HydrophobicContact CD1-CG 4.17Å; F113-K117 HydrophobicContact CE1-CD 4.25Å; F113-K117 HydrophobicContact CE1-CG 3.71Å; F113-K117 HydrophobicContact CE2-CD 4.31Å; F113-K117 HydrophobicContact CE2-CG 4.37Å; F113-K117 HydrophobicContact CZ-CD 3.84Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 PolarHBondContact O-N 3.03Å; L114-K117 PolarHBondContact O-N 2.89Å; K117-E120 IonicContact NZ-OE1 2.72Å; K117-E120 PolarHBondContact NZ-OE1 3.49Å; K117-E120 IonicContact NZ-OE2 2.57Å; K117-E120 PolarHBondContact NZ-OE2 3.11Å; K117-E120 WeakPolarHBondContact O-CB 3.46Å; K117-E120 PolarHBondContact O-N 3.49Å; K117-Y121 VanDerWaalsContact O-CB 3.27Å; K117-Y121 WeakPolarHBondContact O-CB 3.49Å; K117-Y121 PolarHBondContact O-N 3.27Å; K117-Y208 PolarHBondContact NZ-O 3.16Å; K117-V209 HydrophobicContact CD-CG2 3.94Å
118	F	98.8	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-39.5	175.2	-176.1	-110.3	0	0	0	113.1	C88 F91 R92 L95 L105 L114 A115 Q116 E120 Y121 T122 R127 V128	C88-F118 HydrophobicContact CB-CD2 4.04Å; C88-F118 WeakPolarHBondContact O-CE2 3.38Å; F91-F118 HydrophobicContact CB-CD2 4.36Å; F91-F118 HydrophobicContact CB-CE2 4.28Å; F91-F118 HydrophobicContact CD1-CB 4.2Å; F91-F118 AromaticContact CD1-CD1 3.54Å; F91-F118 HydrophobicContact CD1-CD1 3.54Å; F91-F118 AromaticContact CD1-CD2 3.69Å; F91-F118 HydrophobicContact CD1-CD2 3.69Å; F91-F118 AromaticContact CD1-CE1 3.71Å; F91-F118 HydrophobicContact CD1-CE1 3.71Å; F91-F118 AromaticContact CD1-CE2 3.84Å; F91-F118 HydrophobicContact CD1-CE2 3.84Å; F91-F118 AromaticContact CD1-CG 3.52Å; F91-F118 HydrophobicContact CD1-CG 3.52Å; F91-F118 AromaticContact CD1-CZ 3.85Å; F91-F118 HydrophobicContact CD1-CZ 3.85Å; F91-F118 AromaticContact CE1-CD1 3.55Å; F91-F118 HydrophobicContact CE1-CD1 3.55Å; F91-F118 AromaticContact CE1-CE1 3.73Å; F91-F118 HydrophobicContact CE1-CE1 3.73Å; F91-F118 AromaticContact CE1-CG 3.99Å; F91-F118 HydrophobicContact CE1-CG 3.99Å; F91-F118 HydrophobicContact CE1-CZ 4.29Å; F91-F118 HydrophobicContact CG-CD2 4.48Å; F91-F118 HydrophobicContact CG-CE2 4.4Å; R92-F118 HydrophobicContact CB-CE2 3.99Å; R92-F118 HydrophobicContact CB-CZ 4.33Å; L95-F118 HydrophobicContact CD1-CE1 3.73Å; L95-F118 HydrophobicContact CD1-CZ 3.77Å; L105-F118 HydrophobicContact CD1-CD1 4.22Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 3.09Å; A115-F118 PolarHBondContact O-N 3.17Å; Q116-F118 VanDerWaalsContact C-N 3.28Å; Q116-F118 PolarHBondContact O-N 3.43Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.15Å; F118-Y121 HydrophobicContact CD2-CD1 4.25Å; F118-Y121 HydrophobicContact CE2-CD1 4.29Å; F118-Y121 PolarHBondContact O-N 3.11Å; F118-T122 HydrophobicContact CD2-CG2 4.3Å; F118-T122 HydrophobicContact CE1-CG2 4.26Å; F118-T122 HydrophobicContact CE2-CG2 3.82Å; F118-T122 HydrophobicContact CZ-CG2 3.8Å; F118-T122 PolarHBondContact O-N 3.24Å; F118-T122 PolarHBondContact O-OG1 3.33Å; F118-R127 HydrophobicContact CE1-CB 4.02Å; F118-R127 HydrophobicContact CZ-CB 4.17Å; F118-V128 HydrophobicContact CD1-CG2 3.54Å; F118-V128 HydrophobicContact CE1-CG2 3.96Å
119	A	98.6	Very high	97.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-44.8	171.9	0	0	0	0	0	111.2	A115 Q116 T122 H123 V128 L131 I214 I217	A115-A119 PolarHBondContact O-N 3.39Å; Q116-A119 WeakPolarHBondContact O-CB 3.5Å; Q116-A119 PolarHBondContact O-N 2.62Å; A119-T122 PolarHBondContact O-N 2.9Å; A119-H123 PolarHBondContact O-N 2.93Å; A119-V128 HydrophobicContact CB-CB 4.03Å; A119-V128 HydrophobicContact CB-CG1 4.26Å; A119-V128 HydrophobicContact CB-CG2 3.92Å; A119-L131 HydrophobicContact CB-CD1 4.23Å; A119-I214 HydrophobicContact CB-CG2 3.96Å; A119-I217 HydrophobicContact CB-CD1 3.65Å
120	E	98.1	Very high	98	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-46.4	174.4	-175.3	-165.1	122.5	0	0	111.9	Q116 K117 F118 T122 H123 V209 E210 K213 I214	Q116-E120 WeakPolarHBondContact O-CB 3.44Å; Q116-E120 PolarHBondContact O-N 2.8Å; K117-E120 IonicContact NZ-OE1 2.72Å; K117-E120 PolarHBondContact NZ-OE1 3.49Å; K117-E120 IonicContact NZ-OE2 2.57Å; K117-E120 PolarHBondContact NZ-OE2 3.11Å; K117-E120 WeakPolarHBondContact O-CB 3.46Å; K117-E120 PolarHBondContact O-N 3.49Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.15Å; E120-T122 VanDerWaalsContact C-N 3.26Å; E120-T122 PolarHBondContact O-N 3.07Å; E120-H123 PolarHBondContact O-N 3.47Å; E120-H123 PolarHBondContact O-ND1 3.05Å; E120-V209 WeakPolarHBondContact OE2-CA 2.98Å; E120-E210 HydrophobicContact CG-CB 4.29Å; E120-E210 PolarHBondContact OE2-N 2.93Å; E120-K213 HydrophobicContact CG-CB 3.93Å; E120-K213 HydrophobicContact CG-CD 3.46Å; E120-K213 VanDerWaalsContact CG-CD 3.46Å; E120-K213 HydrophobicContact CG-CG 4.33Å; E120-I214 HydrophobicContact CB-CG2 4.02Å
121	Y	98.4	Very high	98.1	Very high	85 Å²	85	29.4 Å²	29.4	33%	0.333	15%	0.145	S	C	.	.	H	α-helix	trans	-58.4	-39.4	179.2	173.7	-105.7	0	0	0	111.9	L85 C88 K117 F118	L85-Y121 HydrophobicContact CD1-CD2 3.85Å; L85-Y121 HydrophobicContact CD1-CE2 3.39Å; C88-Y121 HydrophobicContact CB-CD1 3.61Å; C88-Y121 HydrophobicContact CB-CD2 4.08Å; C88-Y121 HydrophobicContact CB-CE1 4.06Å; C88-Y121 HydrophobicContact CB-CE2 4.49Å; C88-Y121 HydrophobicContact CB-CG 3.62Å; K117-Y121 VanDerWaalsContact O-CB 3.27Å; K117-Y121 WeakPolarHBondContact O-CB 3.49Å; K117-Y121 PolarHBondContact O-N 3.27Å; F118-Y121 HydrophobicContact CD2-CD1 4.25Å; F118-Y121 HydrophobicContact CE2-CD1 4.29Å; F118-Y121 PolarHBondContact O-N 3.11Å
122	T	97.8	Very high	98.1	Very high	10 Å²	10	29.4 Å²	29.4	6%	0.061	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.6	-177.9	62.5	0	0	0	0	114.7	F118 A119 E120 K124 S125 P126 R127	F118-T122 HydrophobicContact CD2-CG2 4.3Å; F118-T122 HydrophobicContact CE1-CG2 4.26Å; F118-T122 HydrophobicContact CE2-CG2 3.82Å; F118-T122 HydrophobicContact CZ-CG2 3.8Å; F118-T122 PolarHBondContact O-N 3.24Å; F118-T122 PolarHBondContact O-OG1 3.33Å; A119-T122 PolarHBondContact O-N 2.9Å; E120-T122 VanDerWaalsContact C-N 3.26Å; E120-T122 PolarHBondContact O-N 3.07Å; T122-K124 PolarHBondContact O-N 2.96Å; T122-S125 CarbonylContact O-C 3.54Å; T122-S125 WeakPolarHBondContact O-CA 3.22Å; T122-S125 PolarHBondContact O-N 3.43Å; T122-P126 VanDerWaalsContact O-CA 3.24Å; T122-P126 WeakPolarHBondContact O-CA 3.32Å; T122-R127 HydrophobicContact CG2-CB 4.12Å; T122-R127 HydrophobicContact CG2-CG 4.05Å; T122-R127 PolarHBondContact OG1-N 2.91Å
123	H	96.9	Very high	98.1	Very high	66 Å²	66	29.4 Å²	29.4	31%	0.306	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.3	-172.7	73.3	-75.2	0	0	0	115.5	A119 E120 K213	A119-H123 PolarHBondContact O-N 2.93Å; E120-H123 PolarHBondContact O-N 3.47Å; E120-H123 PolarHBondContact O-ND1 3.05Å; H123-K213 HydrophobicContact CB-CB 4Å; H123-K213 VanDerWaalsContact CB-O 3.22Å; H123-K213 WeakPolarHBondContact CB-O 3.45Å
124	K	96	Very high	98.1	Very high	186 Å²	186	29.4 Å²	29.4	81%	0.809	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-26.6	176.2	-65.9	-176.1	178.9	176.8	0	113.6	T122	T122-K124 PolarHBondContact O-N 2.96Å
125	S	96.4	Very high	98	Very high	90 Å²	90	29.9 Å²	29.9	63%	0.629	15%	0.148	S	C	*	.	S	Bend	trans	-139.9	77.4	175.7	-170.1	0	0	0	0	108.4	T122 R127	T122-S125 CarbonylContact O-C 3.54Å; T122-S125 WeakPolarHBondContact O-CA 3.22Å; T122-S125 PolarHBondContact O-N 3.43Å; S125-R127 PolarHBondContact O-N 3.04Å
126	P	96.6	Very high	97.8	Very high	59 Å²	59	30 Å²	30	38%	0.383	15%	0.149	S	C	.	.			trans	-59.8	124.6	-163.6	-27.7	35.2	0	0	0	113.3	K102 T122	K102-P126 VanDerWaalsContact CE-O 3.28Å; K102-P126 WeakPolarHBondContact CE-O 3.46Å; T122-P126 VanDerWaalsContact O-CA 3.24Å; T122-P126 WeakPolarHBondContact O-CA 3.32Å
127	R	98.1	Very high	97.7	Very high	44 Å²	44	30 Å²	30	17%	0.166	15%	0.149	C	C	.	.			trans	-105.5	-9.8	172.3	-62.7	-61.9	-70.7	-89.3	1.8	113.5	L95 D96 L100 D101 K102 V103 F118 T122 S125	L95-R127 HydrophobicContact CD1-CB 4.27Å; D96-R127 IonicContact OD1-CZ 3.85Å; D96-R127 VanDerWaalsContact OD1-CZ 3.29Å; D96-R127 IonicContact OD1-NH1 3Å; D96-R127 PolarHBondContact OD1-NH1 3.28Å; D96-R127 IonicContact OD1-NH2 3.29Å; D96-R127 PolarHBondContact OD1-NH2 3.14Å; L100-R127 PolarHBondContact O-NH2 3.14Å; D101-R127 PolarHBondContact O-NE 2.69Å; K102-R127 CarbonylContact C-O 2.88Å; K102-R127 VanDerWaalsContact CA-O 3.29Å; K102-R127 WeakPolarHBondContact CA-O 3.35Å; V103-R127 PolarHBondContact N-O 2.72Å; F118-R127 HydrophobicContact CE1-CB 4.02Å; F118-R127 HydrophobicContact CZ-CB 4.17Å; T122-R127 HydrophobicContact CG2-CB 4.12Å; T122-R127 HydrophobicContact CG2-CG 4.05Å; T122-R127 PolarHBondContact OG1-N 2.91Å; S125-R127 PolarHBondContact O-N 3.04Å
128	V	98.6	Very high	97.6	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.8	175.4	-177.4	0	0	0	0	109	L105 F118 A119 L131	L105-V128 HydrophobicContact CD1-CG1 4.09Å; L105-V128 HydrophobicContact CD1-CG2 3.63Å; L105-V128 HydrophobicContact CG-CG1 4.2Å; L105-V128 HydrophobicContact CG-CG2 4.35Å; F118-V128 HydrophobicContact CD1-CG2 3.54Å; F118-V128 HydrophobicContact CE1-CG2 3.96Å; A119-V128 HydrophobicContact CB-CB 4.03Å; A119-V128 HydrophobicContact CB-CG1 4.26Å; A119-V128 HydrophobicContact CB-CG2 3.92Å; V128-L131 HydrophobicContact CG1-CD2 4.04Å; V128-L131 HydrophobicContact CG1-CG 4.07Å
129	H	98.4	Very high	97.3	Very high	33 Å²	33	31.4 Å²	31.4	15%	0.153	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-39.5	175.5	-163.7	23.7	0	0	0	112.3	K102 V103 H104 P218 F276 Y281	K102-H129 HydrophobicContact CB-CB 3.95Å; K102-H129 HydrophobicContact CD-CB 4.47Å; V103-H129 PolarHBondContact O-N 3.43Å; H104-H129 AromaticContact CE1-CD2 3.34Å; H104-H129 PolarHBondContact CE1-CD2 3.02Å; H104-H129 AromaticContact CE1-CG 3.9Å; H104-H129 AromaticContact NE2-CD2 3.83Å; H129-P218 WeakPolarHBondContact O-CD 3.21Å; H129-F276 AromaticContact CD2-CD1 3.55Å; H129-F276 AromaticContact CD2-CE1 3.72Å; H129-F276 AromaticContact CE1-CD1 3.99Å; H129-F276 AromaticContact CE1-CE1 3.82Å; H129-F276 AromaticContact NE2-CD1 3.15Å; H129-F276 WeakPolarHBondContact NE2-CD1 3.26Å; H129-F276 AromaticContact NE2-CE1 3.4Å; H129-F276 WeakPolarHBondContact NE2-CE1 3.33Å; H129-Y281 WeakPolarHBondContact CD2-CB 3.41Å; H129-Y281 AromaticContact CD2-CG 3.81Å; H129-Y281 AromaticContact CE1-CD2 3.89Å; H129-Y281 WeakPolarHBondContact NE2-CB 3.39Å; H129-Y281 AromaticContact NE2-CD2 3.52Å; H129-Y281 AromaticContact NE2-CG 3.67Å
130	S	98.8	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.2	177.4	79	0	0	0	0	112.2	H104 L105 P218 H272 F276	H104-S130 PolarHBondContact ND1-OG 3.49Å; L105-S130 PolarHBondContact N-O 3.35Å; S130-P218 WeakPolarHBondContact CA-O 3.37Å; S130-P218 WeakPolarHBondContact CB-O 3.4Å; S130-H272 WeakPolarHBondContact CB-NE2 3.5Å; S130-H272 PolarHBondContact OG-NE2 3.38Å; S130-F276 VanDerWaalsContact CB-CZ 3.49Å
131	L	98.8	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.9	-176.8	-68.6	162.6	0	0	0	111.6	L105 A115 Q116 A119 V128 L133 I217 P218 V219 T220 H272	L105-L131 HydrophobicContact CB-CD2 4Å; L105-L131 HydrophobicContact CD1-CD2 4.31Å; L105-L131 CarbonylContact O-C 3.43Å; L105-L131 WeakPolarHBondContact O-CA 3.29Å; A115-L131 HydrophobicContact CB-CD2 3.76Å; Q116-L131 HydrophobicContact CG-CD1 4.39Å; A119-L131 HydrophobicContact CB-CD1 4.23Å; V128-L131 HydrophobicContact CG1-CD2 4.04Å; V128-L131 HydrophobicContact CG1-CG 4.07Å; L131-L133 HydrophobicContact CB-CD2 4.18Å; L131-L133 HydrophobicContact CB-CG 4.28Å; L131-L133 HydrophobicContact CD2-CD2 4.32Å; L131-I217 HydrophobicContact CD1-CG2 4.03Å; L131-I217 HydrophobicContact CG-CG2 4.09Å; L131-P218 PolarHBondContact N-O 2.96Å; L131-V219 HydrophobicContact CB-CG1 4.31Å; L131-V219 HydrophobicContact CB-CG2 4.08Å; L131-V219 HydrophobicContact CD1-CG2 4.16Å; L131-V219 CarbonylContact O-C 3.59Å; L131-V219 WeakPolarHBondContact O-CA 3.35Å; L131-T220 PolarHBondContact O-N 3.27Å; L131-H272 PolarHBondContact O-CE1 3.14Å; L131-H272 VanDerWaalsContact O-CE1 3.31Å
132	I	98.8	Very high	95.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.6	166.6	-53.2	167.3	0	0	0	107.3	L46 L105 F106 G107 T220 M222 V269 H272	L46-I132 HydrophobicContact CD1-CD1 4.39Å; L105-I132 PolarHBondContact O-N 3.34Å; F106-I132 WeakPolarHBondContact CA-O 3.47Å; F106-I132 HydrophobicContact CB-CB 4.36Å; F106-I132 HydrophobicContact CD2-CB 3.77Å; F106-I132 HydrophobicContact CD2-CD1 4.37Å; F106-I132 HydrophobicContact CD2-CG2 3.47Å; F106-I132 VanDerWaalsContact CD2-CG2 3.47Å; F106-I132 HydrophobicContact CE2-CG2 3.78Å; F106-I132 HydrophobicContact CG-CB 4.39Å; F106-I132 HydrophobicContact CG-CG2 4.47Å; G107-I132 PolarHBondContact N-O 2.82Å; I132-T220 CarbonylContact C-O 3.57Å; I132-T220 WeakPolarHBondContact CA-O 3.48Å; I132-M222 HydrophobicContact CG2-CE 4.37Å; I132-V269 HydrophobicContact CD1-CB 4.31Å; I132-V269 HydrophobicContact CD1-CG1 4.17Å; I132-V269 HydrophobicContact CD1-CG2 4.02Å; I132-H272 HydrophobicContact CD1-CB 3.99Å; I132-H272 HydrophobicContact CG1-CB 4.18Å
133	L	98.6	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102.3	-169.4	-57.1	-179.9	0	0	0	109.1	Q116 L131 V219 T220 M222 M238 Y242	Q116-L133 HydrophobicContact CG-CD1 3.92Å; Q116-L133 HydrophobicContact CG-CD2 3.84Å; L131-L133 HydrophobicContact CB-CD2 4.18Å; L131-L133 HydrophobicContact CB-CG 4.28Å; L131-L133 HydrophobicContact CD2-CD2 4.32Å; L133-V219 HydrophobicContact CD1-CG1 3.72Å; L133-V219 HydrophobicContact CG-CG1 4.1Å; L133-T220 PolarHBondContact N-O 3.03Å; L133-M222 PolarHBondContact O-N 2.95Å; L133-M238 HydrophobicContact CB-CE 4.36Å; L133-M238 HydrophobicContact CD1-CE 3.47Å; L133-M238 VanDerWaalsContact CD1-CE 3.47Å; L133-Y242 HydrophobicContact CD1-CD2 4.37Å; L133-Y242 HydrophobicContact CD1-CE2 3.69Å
134	C	98.1	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.6	-174.6	-178.2	0	0	0	0	110.9	F106 G107 A108 S109 S136 M222 P257	F106-C134 HydrophobicContact CE1-CB 3.76Å; F106-C134 HydrophobicContact CE2-CB 4.01Å; F106-C134 HydrophobicContact CZ-CB 3.33Å; G107-C134 PolarHBondContact O-N 3.09Å; A108-C134 VanDerWaalsContact CA-O 3.28Å; A108-C134 WeakPolarHBondContact CA-O 3.39Å; S109-C134 PolarHBondContact N-O 3.45Å; S109-C134 VanDerWaalsContact N-O 3.08Å; C134-S136 PolarHBondContact O-N 2.96Å; C134-M222 CarbonylContact C-O 3.57Å; C134-M222 VanDerWaalsContact CA-O 3.31Å; C134-M222 WeakPolarHBondContact CA-O 3.48Å; C134-M222 HydrophobicContact CB-CB 4.42Å; C134-M222 HydrophobicContact CB-SD 4.46Å; C134-P257 VanDerWaalsContact SG-CG 3.55Å
135	N	95.4	Very high	93.4	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.048	18%	0.176	C	C	.	.	S	Bend	trans	44.6	50.3	-175.2	-66.2	-26	0	0	0	111.1	S109 M222 V224 L230 G254 N255 P257	S109-N135 WeakPolarHBondContact CA-O 3.47Å; S109-N135 PolarHBondContact N-O 2.74Å; N135-M222 PolarHBondContact N-O 3.07Å; N135-V224 PolarHBondContact OD1-N 2.9Å; N135-L230 VanDerWaalsContact C-CD1 3.43Å; N135-L230 WeakPolarHBondContact O-CD1 3.21Å; N135-G254 PolarHBondContact ND2-O 3.33Å; N135-N255 PolarHBondContact ND2-O 3.12Å; N135-P257 WeakPolarHBondContact ND2-CD 3.31Å
136	S	96.2	Very high	92.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	16%	0.159	C	C	.	.			trans	-106.4	167.5	-175	-171.8	0	0	0	0	111.1	S109 G112 F113 Q116 C134 L230	S109-S136 PolarHBondContact O-OG 2.96Å; G112-S136 VanDerWaalsContact CA-OG 3.28Å; G112-S136 WeakPolarHBondContact CA-OG 3.22Å; F113-S136 PolarHBondContact N-OG 3.29Å; Q116-S136 PolarHBondContact NE2-OG 2.88Å; C134-S136 PolarHBondContact O-N 2.96Å; S136-L230 VanDerWaalsContact C-CD1 3.48Å; S136-L230 VanDerWaalsContact O-CD1 3.28Å; S136-L230 WeakPolarHBondContact O-CD1 3.34Å
137	F	96.6	Very high	90.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	18%	0.183	C	C	.	.			trans	-129.2	168.3	174.9	55.6	-86.5	0	0	0	110.2	F113 Q116 D139 T140 I142 F143 N203 L230	F113-F137 HydrophobicContact CB-CD2 4.09Å; F113-F137 HydrophobicContact CB-CE1 4.27Å; F113-F137 HydrophobicContact CB-CE2 3.55Å; F113-F137 HydrophobicContact CB-CZ 3.65Å; F113-F137 AromaticContact CD1-CE2 4Å; F113-F137 HydrophobicContact CD1-CE2 4Å; F113-F137 HydrophobicContact CD1-CZ 4.45Å; F113-F137 AromaticContact CD2-CD2 3.69Å; F113-F137 HydrophobicContact CD2-CD2 3.69Å; F113-F137 AromaticContact CD2-CE2 3.55Å; F113-F137 HydrophobicContact CD2-CE2 3.55Å; F113-F137 HydrophobicContact CD2-CZ 4.49Å; F113-F137 HydrophobicContact CE2-CD2 4.38Å; F113-F137 HydrophobicContact CE2-CE2 4.24Å; F113-F137 AromaticContact CG-CD2 3.99Å; F113-F137 HydrophobicContact CG-CD2 3.99Å; F113-F137 AromaticContact CG-CE2 3.41Å; F113-F137 HydrophobicContact CG-CE2 3.41Å; F113-F137 VanDerWaalsContact CG-CE2 3.41Å; F113-F137 AromaticContact CG-CZ 3.96Å; F113-F137 HydrophobicContact CG-CZ 3.96Å; Q116-F137 PolarHBondContact NE2-O 3.33Å; F137-D139 WeakPolarHBondContact CD2-O 3.29Å; F137-T140 HydrophobicContact CE2-CG2 4.04Å; F137-I142 HydrophobicContact CB-CD1 3.48Å; F137-I142 VanDerWaalsContact CB-CD1 3.48Å; F137-I142 HydrophobicContact CD1-CD1 4.33Å; F137-I142 HydrophobicContact CD2-CD1 4.18Å; F137-I142 HydrophobicContact CG-CD1 3.75Å; F137-F143 AromaticContact CD1-CE2 3.94Å; F137-F143 HydrophobicContact CD1-CE2 3.94Å; F137-F143 AromaticContact CD1-CZ 3.8Å; F137-F143 HydrophobicContact CD1-CZ 3.8Å; F137-F143 AromaticContact CD2-CE2 3.99Å; F137-F143 HydrophobicContact CD2-CE2 3.99Å; F137-F143 AromaticContact CE1-CE2 3.62Å; F137-F143 HydrophobicContact CE1-CE2 3.62Å; F137-F143 AromaticContact CE1-CZ 3.58Å; F137-F143 HydrophobicContact CE1-CZ 3.58Å; F137-F143 AromaticContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CZ 4.46Å; F137-F143 HydrophobicContact CG-CE2 4.12Å; F137-F143 HydrophobicContact CG-CZ 4.35Å; F137-F143 AromaticContact CZ-CE2 3.49Å; F137-F143 HydrophobicContact CZ-CE2 3.49Å; F137-F143 VanDerWaalsContact CZ-CE2 3.49Å; F137-F143 AromaticContact CZ-CZ 3.95Å; F137-F143 HydrophobicContact CZ-CZ 3.95Å; F137-N203 VanDerWaalsContact CZ-OD1 3.29Å; F137-N203 WeakPolarHBondContact CZ-OD1 3.33Å; F137-L230 HydrophobicContact CB-CD1 4.35Å; F137-L230 HydrophobicContact CB-CD2 4.38Å; F137-L230 HydrophobicContact CD1-CD1 4.29Å; F137-L230 HydrophobicContact CD1-CD2 4.02Å
138	S	95.2	Very high	89.9	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	19%	0.193	C	C	.	.	S	Bend	trans	-120.8	-7.8	179.4	54.1	0	0	0	0	113.6	F113 Y208 V209 M238	F113-S138 WeakPolarHBondContact CE2-O 3.38Å; S138-Y208 WeakPolarHBondContact O-CD2 3.44Å; S138-V209 PolarHBondContact O-N 3.06Å; S138-M238 WeakPolarHBondContact CB-SD 3.45Å; S138-M238 PolarHBondContact N-SD 3.03Å
139	D	94	Very high	89	Confident	45 Å²	45	38.5 Å²	38.5	24%	0.241	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-135.6	125.8	175.8	-168.6	-12.3	0	0	0	109.5	F137 S141 I142 Y208	F137-D139 WeakPolarHBondContact CD2-O 3.29Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.29Å; D139-S141 VanDerWaalsContact OD1-CB 3.27Å; D139-S141 WeakPolarHBondContact OD1-CB 3.37Å; D139-S141 PolarHBondContact OD1-N 2.84Å; D139-S141 PolarHBondContact OD1-OG 3.07Å; D139-S141 VanDerWaalsContact OD1-OG 3.12Å; D139-S141 PolarHBondContact OD2-OG 3.41Å; D139-I142 WeakPolarHBondContact O-CG1 3.35Å; D139-Y208 HydrophobicContact CB-CD2 3.9Å
140	T	92.2	Very high	88.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-71.5	-17.6	174.6	57.3	0	0	0	0	113.7	F113 F137 I142 F143 Q205 N206 S207	F113-T140 HydrophobicContact CD1-CG2 4.29Å; F113-T140 HydrophobicContact CE1-CG2 3.66Å; F113-T140 HydrophobicContact CE2-CG2 4.18Å; F113-T140 HydrophobicContact CZ-CG2 3.61Å; F137-T140 HydrophobicContact CE2-CG2 4.04Å; T140-I142 PolarHBondContact O-N 3.45Å; T140-I142 VanDerWaalsContact O-N 3.08Å; T140-F143 WeakPolarHBondContact O-CD2 3.33Å; T140-F143 PolarHBondContact O-N 3.2Å; T140-F143 VanDerWaalsContact O-N 3.11Å; T140-Q205 WeakPolarHBondContact CG2-O 3.44Å; T140-Q205 PolarHBondContact OG1-O 3.14Å; T140-N206 WeakPolarHBondContact OG1-CA 3.37Å; T140-S207 PolarHBondContact N-O 3.33Å; T140-S207 PolarHBondContact OG1-N 2.91Å; T140-S207 PolarHBondContact OG1-O 3.06Å
141	S	87.7	Confident	87.9	Confident	53 Å²	53	44.5 Å²	44.5	37%	0.371	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.2	-24.5	-177.7	73.2	0	0	0	0	112.7	D139 F143 N144	D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.29Å; D139-S141 VanDerWaalsContact OD1-CB 3.27Å; D139-S141 WeakPolarHBondContact OD1-CB 3.37Å; D139-S141 PolarHBondContact OD1-N 2.84Å; D139-S141 PolarHBondContact OD1-OG 3.07Å; D139-S141 VanDerWaalsContact OD1-OG 3.12Å; D139-S141 PolarHBondContact OD2-OG 3.41Å; S141-F143 PolarHBondContact O-N 2.66Å; S141-F143 VanDerWaalsContact O-N 3.12Å; S141-N144 PolarHBondContact O-N 2.74Å
142	I	85.6	Confident	87.6	Confident	72 Å²	72	44.5 Å²	44.5	37%	0.369	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.2	-25.3	176.4	70.3	179.9	0	0	0	113.7	F137 D139 T140 L230 A234	F137-I142 HydrophobicContact CB-CD1 3.48Å; F137-I142 VanDerWaalsContact CB-CD1 3.48Å; F137-I142 HydrophobicContact CD1-CD1 4.33Å; F137-I142 HydrophobicContact CD2-CD1 4.18Å; F137-I142 HydrophobicContact CG-CD1 3.75Å; D139-I142 WeakPolarHBondContact O-CG1 3.35Å; T140-I142 PolarHBondContact O-N 3.45Å; T140-I142 VanDerWaalsContact O-N 3.08Å; I142-L230 HydrophobicContact CD1-CD2 3.79Å; I142-A234 HydrophobicContact CD1-CB 4.06Å; I142-A234 HydrophobicContact CG2-CB 4.49Å
143	F	83.3	Confident	87.3	Confident	39 Å²	39	51.4 Å²	51.4	17%	0.171	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-84.6	-13.6	-179.7	-62.3	-71.7	0	0	0	113.2	F137 T140 S141 Q145 N203 L230	F137-F143 AromaticContact CD1-CE2 3.94Å; F137-F143 HydrophobicContact CD1-CE2 3.94Å; F137-F143 AromaticContact CD1-CZ 3.8Å; F137-F143 HydrophobicContact CD1-CZ 3.8Å; F137-F143 AromaticContact CD2-CE2 3.99Å; F137-F143 HydrophobicContact CD2-CE2 3.99Å; F137-F143 AromaticContact CE1-CE2 3.62Å; F137-F143 HydrophobicContact CE1-CE2 3.62Å; F137-F143 AromaticContact CE1-CZ 3.58Å; F137-F143 HydrophobicContact CE1-CZ 3.58Å; F137-F143 AromaticContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CZ 4.46Å; F137-F143 HydrophobicContact CG-CE2 4.12Å; F137-F143 HydrophobicContact CG-CZ 4.35Å; F137-F143 AromaticContact CZ-CE2 3.49Å; F137-F143 HydrophobicContact CZ-CE2 3.49Å; F137-F143 VanDerWaalsContact CZ-CE2 3.49Å; F137-F143 AromaticContact CZ-CZ 3.95Å; F137-F143 HydrophobicContact CZ-CZ 3.95Å; T140-F143 WeakPolarHBondContact O-CD2 3.33Å; T140-F143 PolarHBondContact O-N 3.2Å; T140-F143 VanDerWaalsContact O-N 3.11Å; S141-F143 PolarHBondContact O-N 2.66Å; S141-F143 VanDerWaalsContact O-N 3.12Å; F143-Q145 VanDerWaalsContact O-CG 3.3Å; F143-Q145 WeakPolarHBondContact O-CG 3.29Å; F143-Q145 PolarHBondContact O-N 2.83Å; F143-N203 WeakPolarHBondContact CD2-ND2 3.28Å; F143-N203 WeakPolarHBondContact CD2-O 3.4Å; F143-N203 VanDerWaalsContact CE2-ND2 3.29Å; F143-N203 WeakPolarHBondContact CE2-ND2 3.34Å; F143-N203 WeakPolarHBondContact CZ-ND2 3.27Å; F143-L230 HydrophobicContact CE1-CD2 4.34Å; F143-L230 HydrophobicContact CZ-CD2 4.04Å
144	N	77.7	Confident	87.1	Confident	148 Å²	148	56.8 Å²	56.8	79%	0.791	28%	0.282	S	S	*	.			trans	46.6	36.5	179.2	-161.2	23.2	0	0	0	114.3	S141	S141-N144 PolarHBondContact O-N 2.74Å
145	Q	77.3	Confident	87	Confident	62 Å²	62	58.5 Å²	58.5	29%	0.29	29%	0.291	S	S	.	.			trans	-125.4	20.5	-174.6	-80	176.3	47.8	0	0	112.6	F143 W147 T148 A149 C204	F143-Q145 VanDerWaalsContact O-CG 3.3Å; F143-Q145 WeakPolarHBondContact O-CG 3.29Å; F143-Q145 PolarHBondContact O-N 2.83Å; Q145-W147 VanDerWaalsContact C-N 3.26Å; Q145-W147 PolarHBondContact O-N 2.68Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.35Å; Q145-T148 PolarHBondContact O-N 2.8Å; Q145-T148 VanDerWaalsContact O-N 3.07Å; Q145-T148 PolarHBondContact O-OG1 3.48Å; Q145-A149 PolarHBondContact O-N 3.29Å; Q145-C204 HydrophobicContact CB-CB 4.03Å
146	T	70.9	Confident	87	Confident	45 Å²	45	61 Å²	61	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-56.1	-39.3	-176.8	-47	0	0	0	0	113.2	A149 C204 N206	T146-A149 WeakPolarHBondContact O-CB 3.25Å; T146-A149 PolarHBondContact O-N 3.13Å; T146-C204 WeakPolarHBondContact CA-O 3.39Å; T146-N206 HydrophobicContact CG2-CB 3.78Å
147	W	65.8	Low	86.9	Confident	235 Å²	235	62.4 Å²	62.4	89%	0.89	32%	0.319	S	S	*	.	H	α-helix	trans	-69.7	-37.6	178.8	-68.7	90.9	0	0	0	112.3	Q145 A149	Q145-W147 VanDerWaalsContact C-N 3.26Å; Q145-W147 PolarHBondContact O-N 2.68Å; W147-A149 VanDerWaalsContact C-N 3.33Å
148	T	79.2	Confident	86.8	Confident	59 Å²	59	69.1 Å²	69.1	36%	0.362	35%	0.348	S	S	.	.	H	α-helix	trans	-71.7	-26.4	175.5	6.2	0	0	0	0	112.5	Q145 N150 S151 F152	Q145-T148 WeakPolarHBondContact CA-OG1 3.35Å; Q145-T148 PolarHBondContact O-N 2.8Å; Q145-T148 VanDerWaalsContact O-N 3.07Å; Q145-T148 PolarHBondContact O-OG1 3.48Å; T148-N150 PolarHBondContact O-N 3.48Å; T148-S151 PolarHBondContact O-N 3.35Å; T148-S151 PolarHBondContact O-OG 3.04Å; T148-S151 VanDerWaalsContact O-OG 3.05Å; T148-F152 PolarHBondContact O-N 3.08Å
149	A	80.9	Confident	86.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.3	-36.2	178.8	0	0	0	0	0	113	Q145 T146 W147 S151 F152 T201 C204	Q145-A149 PolarHBondContact O-N 3.29Å; T146-A149 WeakPolarHBondContact O-CB 3.25Å; T146-A149 PolarHBondContact O-N 3.13Å; W147-A149 VanDerWaalsContact C-N 3.33Å; A149-S151 VanDerWaalsContact C-N 3.25Å; A149-S151 PolarHBondContact O-N 2.91Å; A149-F152 HydrophobicContact CB-CD2 4.47Å; A149-F152 HydrophobicContact CB-CE2 4.27Å; A149-T201 PolarHBondContact O-OG1 2.89Å; A149-C204 HydrophobicContact CB-CB 3.85Å
150	N	83.1	Confident	86.8	Confident	115 Å²	115	70.5 Å²	70.5	62%	0.615	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.8	-179.5	-65.5	-26.3	0	0	0	113.9	T148 W153	T148-N150 PolarHBondContact O-N 3.48Å; N150-W153 VanDerWaalsContact O-CD1 3.29Å; N150-W153 PolarHBondContact O-NE1 3.07Å; N150-W153 VanDerWaalsContact O-NE1 3.16Å
151	S	90.1	Very high	86.9	Confident	43 Å²	43	71.9 Å²	71.9	30%	0.301	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-2.5	-177.1	63.4	0	0	0	0	114.2	T148 A149 W153 L154	T148-S151 PolarHBondContact O-N 3.35Å; T148-S151 PolarHBondContact O-OG 3.04Å; T148-S151 VanDerWaalsContact O-OG 3.05Å; A149-S151 VanDerWaalsContact C-N 3.25Å; A149-S151 PolarHBondContact O-N 2.91Å; S151-W153 PolarHBondContact O-N 3.3Å; S151-W153 VanDerWaalsContact O-N 3.14Å; S151-L154 WeakPolarHBondContact O-CB 3.08Å; S151-L154 PolarHBondContact O-N 2.98Å
152	F	92.8	Very high	87.2	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-56.6	-32.5	179.4	-73.3	-45.2	0	0	0	113.5	T148 A149 L154 M155 L160 I163 A197 L200 C204	T148-F152 PolarHBondContact O-N 3.08Å; A149-F152 HydrophobicContact CB-CD2 4.47Å; A149-F152 HydrophobicContact CB-CE2 4.27Å; F152-L154 PolarHBondContact O-N 2.94Å; F152-M155 HydrophobicContact CD1-SD 3.61Å; F152-M155 HydrophobicContact CE1-SD 4.08Å; F152-M155 WeakPolarHBondContact O-CB 3.29Å; F152-M155 PolarHBondContact O-N 2.78Å; F152-L160 HydrophobicContact CB-CD2 4.03Å; F152-L160 HydrophobicContact CD1-CD2 3.71Å; F152-L160 HydrophobicContact CG-CD2 4.17Å; F152-I163 HydrophobicContact CD1-CD1 4.48Å; F152-I163 HydrophobicContact CE1-CD1 3.87Å; F152-A197 HydrophobicContact CB-CB 4.18Å; F152-L200 HydrophobicContact CD1-CB 4.43Å; F152-L200 HydrophobicContact CD2-CB 3.55Å; F152-L200 HydrophobicContact CE2-CB 3.61Å; F152-L200 WeakPolarHBondContact CE2-O 3.37Å; F152-L200 HydrophobicContact CG-CB 4Å; F152-L200 HydrophobicContact CZ-CB 4.13Å; F152-C204 HydrophobicContact CE2-CB 4.13Å
153	W	93.9	Very high	87.5	Confident	147 Å²	147	75.9 Å²	75.9	56%	0.557	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.6	177	71.9	-89	0	0	0	113.6	W82 N150 S151 Q193	W82-W153 HydrophobicContact CH2-CB 3.6Å; W82-W153 HydrophobicContact CZ2-CB 4.45Å; W82-W153 HydrophobicContact CZ3-CB 3.88Å; N150-W153 VanDerWaalsContact O-CD1 3.29Å; N150-W153 PolarHBondContact O-NE1 3.07Å; N150-W153 VanDerWaalsContact O-NE1 3.16Å; S151-W153 PolarHBondContact O-N 3.3Å; S151-W153 VanDerWaalsContact O-N 3.14Å; W153-Q193 PolarHBondContact O-NE2 3.38Å
154	L	94.1	Very high	87.9	Confident	113 Å²	113	74.2 Å²	74.2	59%	0.592	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-84	-16.6	175	-69	168.1	0	0	0	113.1	S151 F152	S151-L154 WeakPolarHBondContact O-CB 3.08Å; S151-L154 PolarHBondContact O-N 2.98Å; F152-L154 PolarHBondContact O-N 2.94Å
155	M	94.8	Very high	88.5	Confident	36 Å²	36	70.1 Å²	70.1	18%	0.177	34%	0.341	C	S	.	.	S	Bend	trans	-79	136.5	-174	-64	-172.7	73.9	0	0	111.3	F152 M159 L160 I163 Q193	F152-M155 HydrophobicContact CD1-SD 3.61Å; F152-M155 HydrophobicContact CE1-SD 4.08Å; F152-M155 WeakPolarHBondContact O-CB 3.29Å; F152-M155 PolarHBondContact O-N 2.78Å; M155-M159 HydrophobicContact CE-CB 3.75Å; M155-M159 HydrophobicContact CE-CE 3.6Å; M155-M159 HydrophobicContact CE-SD 4.15Å; M155-L160 HydrophobicContact CB-CD2 3.8Å; M155-L160 HydrophobicContact CB-CG 3.97Å; M155-L160 HydrophobicContact CG-CD2 4.46Å; M155-L160 HydrophobicContact SD-CD2 4.14Å; M155-I163 HydrophobicContact CE-CD1 3.87Å; M155-I163 HydrophobicContact SD-CD1 4.15Å; M155-Q193 PolarHBondContact O-NE2 3.35Å
156	P	95.8	Very high	89	Confident	60 Å²	60	70.2 Å²	70.2	39%	0.39	36%	0.358	S	S	.	.			trans	-59.1	147.9	171.3	-24.6	34.1	0	0	0	112.6	F158 M159 L160	P156-F158 VanDerWaalsContact C-N 3.27Å; P156-F158 HydrophobicContact CB-CD1 3.6Å; P156-F158 HydrophobicContact CB-CE1 3.41Å; P156-F158 VanDerWaalsContact CB-CE1 3.41Å; P156-F158 HydrophobicContact CB-CZ 4.34Å; P156-F158 HydrophobicContact CG-CE1 3.94Å; P156-F158 PolarHBondContact O-N 2.94Å; P156-F158 VanDerWaalsContact O-N 3.14Å; P156-M159 HydrophobicContact CG-SD 4.31Å; P156-M159 PolarHBondContact O-N 3.31Å; P156-L160 PolarHBondContact O-N 2.95Å
157	A	94.8	Very high	89.6	Confident	32 Å²	32	71.7 Å²	71.7	26%	0.264	36%	0.364	S	S	.	.	H	α-helix	trans	-50.9	-42.5	-177.6	0	0	0	0	0	113.6	M159 L160 K161 Q193	A157-M159 VanDerWaalsContact C-N 3.28Å; A157-M159 PolarHBondContact O-N 2.86Å; A157-L160 PolarHBondContact O-N 3.25Å; A157-K161 WeakPolarHBondContact O-CG 3.44Å; A157-K161 PolarHBondContact O-N 2.92Å; A157-Q193 HydrophobicContact CB-CB 3.98Å; A157-Q193 HydrophobicContact CB-CG 4.26Å
158	F	93.9	Very high	90.6	Very high	143 Å²	143	61.7 Å²	61.7	63%	0.627	33%	0.327	S	S	*	.	H	α-helix	trans	-64.2	-31.9	-178.6	77.3	-92.7	0	0	0	112.9	P156 K162	P156-F158 VanDerWaalsContact C-N 3.27Å; P156-F158 HydrophobicContact CB-CD1 3.6Å; P156-F158 HydrophobicContact CB-CE1 3.41Å; P156-F158 VanDerWaalsContact CB-CE1 3.41Å; P156-F158 HydrophobicContact CB-CZ 4.34Å; P156-F158 HydrophobicContact CG-CE1 3.94Å; P156-F158 PolarHBondContact O-N 2.94Å; P156-F158 VanDerWaalsContact O-N 3.14Å; F158-K162 WeakPolarHBondContact O-CB 3.33Å; F158-K162 PolarHBondContact O-N 3.46Å
159	M	94.1	Very high	90.4	Very high	79 Å²	79	60 Å²	60	39%	0.389	32%	0.317	S	S	.	.	H	α-helix	trans	-72.6	-41.9	176.7	-64.3	-174.9	71.7	0	0	110.8	M155 P156 A157 K162 I163	M155-M159 HydrophobicContact CE-CB 3.75Å; M155-M159 HydrophobicContact CE-CE 3.6Å; M155-M159 HydrophobicContact CE-SD 4.15Å; P156-M159 HydrophobicContact CG-SD 4.31Å; P156-M159 PolarHBondContact O-N 3.31Å; A157-M159 VanDerWaalsContact C-N 3.28Å; A157-M159 PolarHBondContact O-N 2.86Å; M159-K162 WeakPolarHBondContact O-CB 3.46Å; M159-K162 PolarHBondContact O-N 3.48Å; M159-I163 WeakPolarHBondContact O-CG1 3.24Å; M159-I163 PolarHBondContact O-N 3.43Å
160	L	95.3	Very high	89.9	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175.5	-62.3	170.9	0	0	0	110.8	F152 M155 P156 A157 K162 I163 V164 Q193 L196 A197 L200	F152-L160 HydrophobicContact CB-CD2 4.03Å; F152-L160 HydrophobicContact CD1-CD2 3.71Å; F152-L160 HydrophobicContact CG-CD2 4.17Å; M155-L160 HydrophobicContact CB-CD2 3.8Å; M155-L160 HydrophobicContact CB-CG 3.97Å; M155-L160 HydrophobicContact CG-CD2 4.46Å; M155-L160 HydrophobicContact SD-CD2 4.14Å; P156-L160 PolarHBondContact O-N 2.95Å; A157-L160 PolarHBondContact O-N 3.25Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.94Å; L160-I163 WeakPolarHBondContact O-CB 3.28Å; L160-I163 PolarHBondContact O-N 3.12Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.85Å; L160-V164 VanDerWaalsContact O-N 3.09Å; L160-Q193 HydrophobicContact CD1-CG 4.06Å; L160-L196 HydrophobicContact CB-CB 4.11Å; L160-L196 HydrophobicContact CB-CD1 4.47Å; L160-L196 HydrophobicContact CD1-CB 4.16Å; L160-A197 HydrophobicContact CD1-CB 3.86Å; L160-L200 HydrophobicContact CB-CD1 4.04Å; L160-L200 HydrophobicContact CD2-CD1 3.66Å; L160-L200 HydrophobicContact CG-CD1 4.44Å
161	K	95.1	Very high	89.7	Confident	29 Å²	29	61.8 Å²	61.8	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-57.6	-43.9	173.6	-71.1	176	173.9	-176.5	0	111.5	A157 I163 V164 L165 L188 E189 L196	A157-K161 WeakPolarHBondContact O-CG 3.44Å; A157-K161 PolarHBondContact O-N 2.92Å; K161-I163 VanDerWaalsContact C-N 3.35Å; K161-I163 PolarHBondContact O-N 2.88Å; K161-V164 PolarHBondContact O-N 3.16Å; K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 VanDerWaalsContact O-CG 3.28Å; K161-L165 WeakPolarHBondContact O-CG 3.36Å; K161-L165 PolarHBondContact O-N 2.93Å; K161-L188 HydrophobicContact CB-CD2 4.47Å; K161-L188 WeakPolarHBondContact CE-O 3.41Å; K161-L188 HydrophobicContact CG-CD1 4.19Å; K161-L188 HydrophobicContact CG-CG 4.18Å; K161-E189 PolarHBondContact NZ-O 3.2Å; K161-E189 IonicContact NZ-OE2 3.68Å; K161-E189 PolarHBondContact NZ-OE2 3Å; K161-L196 HydrophobicContact CD-CD1 4.44Å; K161-L196 HydrophobicContact CG-CD1 3.52Å
162	K	92.9	Very high	89.3	Confident	160 Å²	160	66.7 Å²	66.7	70%	0.696	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-39.2	176.6	-172.6	177.6	-179.9	179.7	0	113	F158 M159 L160 G166	F158-K162 WeakPolarHBondContact O-CB 3.33Å; F158-K162 PolarHBondContact O-N 3.46Å; M159-K162 WeakPolarHBondContact O-CB 3.46Å; M159-K162 PolarHBondContact O-N 3.48Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.94Å; K162-G166 PolarHBondContact O-N 3.16Å
163	I	91.9	Very high	89.2	Confident	48 Å²	48	69.2 Å²	69.2	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-48.1	174.8	-69	166	0	0	0	110.1	F152 M155 M159 L160 K161 G166 L200	F152-I163 HydrophobicContact CD1-CD1 4.48Å; F152-I163 HydrophobicContact CE1-CD1 3.87Å; M155-I163 HydrophobicContact CE-CD1 3.87Å; M155-I163 HydrophobicContact SD-CD1 4.15Å; M159-I163 WeakPolarHBondContact O-CG1 3.24Å; M159-I163 PolarHBondContact O-N 3.43Å; L160-I163 WeakPolarHBondContact O-CB 3.28Å; L160-I163 PolarHBondContact O-N 3.12Å; K161-I163 VanDerWaalsContact C-N 3.35Å; K161-I163 PolarHBondContact O-N 2.88Å; I163-G166 PolarHBondContact O-N 3.18Å; I163-L200 HydrophobicContact CG2-CD2 4.14Å
164	V	91.6	Very high	89.1	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.03	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-44.4	-179.7	178.3	0	0	0	0	111.6	V52 L160 K161 G166 N167 F168 L188 L200	V52-V164 HydrophobicContact CG1-CG1 4.48Å; V52-V164 HydrophobicContact CG1-CG2 3.68Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.85Å; L160-V164 VanDerWaalsContact O-N 3.09Å; K161-V164 PolarHBondContact O-N 3.16Å; V164-G166 VanDerWaalsContact C-N 3.26Å; V164-G166 PolarHBondContact O-N 3.41Å; V164-N167 PolarHBondContact O-N 3.43Å; V164-N167 VanDerWaalsContact O-N 3.17Å; V164-F168 HydrophobicContact CG1-CE1 4.02Å; V164-F168 WeakPolarHBondContact O-CD1 3.28Å; V164-L188 HydrophobicContact CB-CD1 4.22Å; V164-L188 HydrophobicContact CB-CD2 4.05Å; V164-L188 HydrophobicContact CG1-CD1 4.03Å; V164-L188 HydrophobicContact CG1-CD2 3.87Å; V164-L188 HydrophobicContact CG2-CD1 4.47Å; V164-L200 HydrophobicContact CG2-CD1 4.11Å; V164-L200 HydrophobicContact CG2-CD2 4.01Å; V164-L200 HydrophobicContact CG2-CG 4.27Å
165	L	90.6	Very high	89.1	Confident	62 Å²	62	63.6 Å²	63.6	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-30	177	-71.7	171.3	0	0	0	112.8	K161 N167 F168 V185 L188	K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 VanDerWaalsContact O-CG 3.28Å; K161-L165 WeakPolarHBondContact O-CG 3.36Å; K161-L165 PolarHBondContact O-N 2.93Å; L165-N167 PolarHBondContact O-N 3.14Å; L165-N167 VanDerWaalsContact O-N 3.16Å; L165-F168 HydrophobicContact CD2-CD2 4.11Å; L165-F168 HydrophobicContact CD2-CE2 4.11Å; L165-F168 WeakPolarHBondContact O-CB 3.46Å; L165-F168 PolarHBondContact O-N 3.01Å; L165-V185 HydrophobicContact CD2-CG1 4.49Å; L165-V185 HydrophobicContact CD2-CG2 3.8Å; L165-L188 HydrophobicContact CD1-CD2 4.41Å; L165-L188 HydrophobicContact CD2-CD2 3.71Å; L165-L188 HydrophobicContact CG-CD2 3.64Å
166	G	87.1	Confident	89.1	Confident	63 Å²	63	66 Å²	66	65%	0.649	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	175.4	0	0	0	0	0	113.9	K162 I163 V164	K162-G166 PolarHBondContact O-N 3.16Å; I163-G166 PolarHBondContact O-N 3.18Å; V164-G166 VanDerWaalsContact C-N 3.26Å; V164-G166 PolarHBondContact O-N 3.41Å
167	N	84.9	Confident	89	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.6	176.4	-66.3	-36.9	0	0	0	113.4	V164 L165 A229 N255	V164-N167 PolarHBondContact O-N 3.43Å; V164-N167 VanDerWaalsContact O-N 3.17Å; L165-N167 PolarHBondContact O-N 3.14Å; L165-N167 VanDerWaalsContact O-N 3.16Å; N167-A229 HydrophobicContact CB-CB 4.2Å; N167-N255 PolarHBondContact O-ND2 3.23Å
168	F	85.8	Confident	89	Confident	25 Å²	25	63.8 Å²	63.8	11%	0.11	38%	0.376	C	S	.	.	S	Bend	trans	-80.6	145.7	177.5	-72.6	26.2	0	0	0	108.9	V164 L165 S170 I181 M184 V185 F256	V164-F168 HydrophobicContact CG1-CE1 4.02Å; V164-F168 WeakPolarHBondContact O-CD1 3.28Å; L165-F168 HydrophobicContact CD2-CD2 4.11Å; L165-F168 HydrophobicContact CD2-CE2 4.11Å; L165-F168 WeakPolarHBondContact O-CB 3.46Å; L165-F168 PolarHBondContact O-N 3.01Å; F168-S170 PolarHBondContact O-N 3.14Å; F168-S170 VanDerWaalsContact O-N 3.12Å; F168-I181 HydrophobicContact CD2-CG2 4.04Å; F168-M184 HydrophobicContact CE2-CB 4.05Å; F168-M184 HydrophobicContact CZ-CB 4.2Å; F168-V185 HydrophobicContact CD2-CG2 4.13Å; F168-V185 HydrophobicContact CE2-CG2 3.87Å; F168-F256 HydrophobicContact CD1-CZ 4.07Å; F168-F256 HydrophobicContact CD2-CE2 4.13Å; F168-F256 HydrophobicContact CD2-CZ 4.33Å; F168-F256 HydrophobicContact CE1-CE2 4.36Å; F168-F256 AromaticContact CE1-CZ 3.63Å; F168-F256 HydrophobicContact CE1-CZ 3.63Å; F168-F256 AromaticContact CE2-CE2 3.9Å; F168-F256 HydrophobicContact CE2-CE2 3.9Å; F168-F256 AromaticContact CE2-CZ 3.89Å; F168-F256 HydrophobicContact CE2-CZ 3.89Å; F168-F256 HydrophobicContact CG-CE2 4.43Å; F168-F256 HydrophobicContact CG-CZ 4.41Å; F168-F256 HydrophobicContact CZ-CE2 4.04Å; F168-F256 AromaticContact CZ-CZ 3.53Å; F168-F256 HydrophobicContact CZ-CZ 3.53Å
169	S	75.9	Confident	89.1	Confident	22 Å²	22	58.3 Å²	58.3	15%	0.154	35%	0.353	C	S	.	.			trans	-59.1	119.6	-178.2	-54.6	0	0	0	0	110.5	Q227	S169-Q227 PolarHBondContact OG-O 2.95Å
170	S	69.5	Low	89.2	Confident	104 Å²	104	54.6 Å²	54.6	73%	0.727	34%	0.335	S	S	*	.			trans	-96.7	108.4	173.1	60.2	0	0	0	0	109.3	F168	F168-S170 PolarHBondContact O-N 3.14Å; F168-S170 VanDerWaalsContact O-N 3.12Å
171	G	78.3	Confident	89.2	Confident	50 Å²	50	56 Å²	56	52%	0.515	34%	0.342	S	S	.	.	S	Bend	trans	150.7	-178.4	177.9	0	0	0	0	0	113.3	V173	G171-V173 PolarHBondContact O-N 3.03Å
172	P	82.1	Confident	89.2	Confident	145 Å²	145	58.8 Å²	58.8	94%	0.942	36%	0.359	S	S	*	.			trans	-62	123	175.4	-19.3	32.1	0	0	0	110.6
173	V	90.6	Very high	89.4	Confident	53 Å²	53	51.3 Å²	51.3	32%	0.321	33%	0.326	S	S	.	.			trans	-124.9	159.7	173	-63.4	0	0	0	0	109.2	G171 M177 A178 I181	G171-V173 PolarHBondContact O-N 3.03Å; V173-M177 HydrophobicContact CB-CB 3.91Å; V173-M177 HydrophobicContact CB-CE 4.35Å; V173-M177 HydrophobicContact CG1-CE 4.08Å; V173-M177 HydrophobicContact CG2-CB 4.17Å; V173-A178 HydrophobicContact CG2-CB 3.96Å; V173-I181 HydrophobicContact CG2-CD1 4.33Å
174	D	92.8	Very high	89.6	Confident	46 Å²	46	49 Å²	49	25%	0.246	31%	0.314	C	S	.	.			trans	-68.9	159.7	174.2	76.3	87.3	0	0	0	111.5	M176 M177 A178 R261	D174-M176 VanDerWaalsContact C-N 3.28Å; D174-M176 PolarHBondContact O-N 3.28Å; D174-M176 WeakPolarHBondContact OD1-CB 3.43Å; D174-M176 PolarHBondContact OD1-N 2.77Å; D174-M177 WeakPolarHBondContact O-CB 3.17Å; D174-M177 PolarHBondContact O-N 2.89Å; D174-M177 PolarHBondContact OD1-N 3.26Å; D174-M177 WeakPolarHBondContact OD2-CG 3.26Å; D174-A178 PolarHBondContact O-N 2.87Å; D174-R261 IonicContact OD1-CZ 3.97Å; D174-R261 IonicContact OD1-NH1 2.71Å; D174-R261 PolarHBondContact OD1-NH1 3.37Å; D174-R261 IonicContact OD1-NH2 3.6Å; D174-R261 IonicContact OD2-CZ 3.62Å; D174-R261 IonicContact OD2-NH1 2.88Å; D174-R261 IonicContact OD2-NH2 2.69Å; D174-R261 PolarHBondContact OD2-NH2 2.88Å
175	P	94.1	Very high	89.8	Confident	96 Å²	96	50.6 Å²	50.6	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-55.8	-36.4	-174.9	-28.7	36.5	0	0	0	114.8	M177 A178 D179	P175-M177 VanDerWaalsContact C-N 3.35Å; P175-A178 PolarHBondContact O-N 3.15Å; P175-D179 VanDerWaalsContact O-CG 3.3Å; P175-D179 PolarHBondContact O-N 3.16Å
176	M	94.3	Very high	90.1	Very high	86 Å²	86	49.7 Å²	49.7	42%	0.424	32%	0.32	S	S	.	.	H	α-helix	trans	-71.7	-33	-179.7	-66.5	-176.7	-85.2	0	0	111.8	M1 D174 A180 C260	M1-M176 HydrophobicContact SD-CG 4.4Å; M1-M176 HydrophobicContact SD-SD 4.45Å; D174-M176 VanDerWaalsContact C-N 3.28Å; D174-M176 PolarHBondContact O-N 3.28Å; D174-M176 WeakPolarHBondContact OD1-CB 3.43Å; D174-M176 PolarHBondContact OD1-N 2.77Å; M176-A180 WeakPolarHBondContact O-CB 3.39Å; M176-A180 PolarHBondContact O-N 3.09Å; M176-A180 VanDerWaalsContact O-N 3.14Å; M176-C260 HydrophobicContact CB-CB 4.2Å; M176-C260 VanDerWaalsContact O-CB 3.26Å; M176-C260 WeakPolarHBondContact O-CB 3.33Å
177	M	94.6	Very high	90.5	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.069	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-39.6	172.4	-75	178	63.1	0	0	111.4	V173 D174 P175 A180 I181 C260	V173-M177 HydrophobicContact CB-CB 3.91Å; V173-M177 HydrophobicContact CB-CE 4.35Å; V173-M177 HydrophobicContact CG1-CE 4.08Å; V173-M177 HydrophobicContact CG2-CB 4.17Å; D174-M177 WeakPolarHBondContact O-CB 3.17Å; D174-M177 PolarHBondContact O-N 2.89Å; D174-M177 PolarHBondContact OD1-N 3.26Å; D174-M177 WeakPolarHBondContact OD2-CG 3.26Å; P175-M177 VanDerWaalsContact C-N 3.35Å; M177-A180 PolarHBondContact O-N 3.21Å; M177-I181 WeakPolarHBondContact O-CB 3.37Å; M177-I181 VanDerWaalsContact O-CG1 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.26Å; M177-I181 PolarHBondContact O-N 3.16Å; M177-C260 HydrophobicContact CG-CB 4.04Å
178	A	94.4	Very high	91	Very high	32 Å²	32	44.7 Å²	44.7	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-50.8	173.7	0	0	0	0	0	111.3	V173 D174 P175 A180 I181 D182	V173-A178 HydrophobicContact CG2-CB 3.96Å; D174-A178 PolarHBondContact O-N 2.87Å; P175-A178 PolarHBondContact O-N 3.15Å; A178-A180 PolarHBondContact O-N 3.05Å; A178-I181 WeakPolarHBondContact O-CB 3.35Å; A178-I181 PolarHBondContact O-N 3.36Å; A178-I181 VanDerWaalsContact O-N 3.07Å; A178-D182 PolarHBondContact O-N 2.72Å
179	D	95.3	Very high	91.4	Very high	28 Å²	28	48 Å²	48	15%	0.15	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-37.4	177.6	-72.2	-23	0	0	0	112.2	I4 P175 F183	I4-D179 HydrophobicContact CD1-CB 4.36Å; I4-D179 HydrophobicContact CG1-CB 4.18Å; P175-D179 VanDerWaalsContact O-CG 3.3Å; P175-D179 PolarHBondContact O-N 3.16Å; D179-F183 WeakPolarHBondContact O-CB 3.26Å; D179-F183 PolarHBondContact O-N 3.14Å; D179-F183 VanDerWaalsContact O-N 3.1Å
180	A	96.2	Very high	92.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-40.7	176.1	0	0	0	0	0	112.7	I4 M176 M177 A178 M184 F256 L259 C260	I4-A180 HydrophobicContact CD1-CB 4.43Å; M176-A180 WeakPolarHBondContact O-CB 3.39Å; M176-A180 PolarHBondContact O-N 3.09Å; M176-A180 VanDerWaalsContact O-N 3.14Å; M177-A180 PolarHBondContact O-N 3.21Å; A178-A180 PolarHBondContact O-N 3.05Å; A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 VanDerWaalsContact O-CG 3.26Å; A180-M184 WeakPolarHBondContact O-CG 2.94Å; A180-M184 PolarHBondContact O-N 3.28Å; A180-F256 HydrophobicContact CB-CB 4.45Å; A180-L259 HydrophobicContact CB-CB 3.63Å; A180-L259 HydrophobicContact CB-CD1 4.23Å; A180-C260 HydrophobicContact CB-CB 3.87Å
181	I	95.3	Very high	93.6	Very high	30 Å²	30	45.9 Å²	45.9	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-50.7	175.1	-74	167.6	0	0	0	109.6	F168 V173 M177 A178 F183 M184 V185 F256	F168-I181 HydrophobicContact CD2-CG2 4.04Å; V173-I181 HydrophobicContact CG2-CD1 4.33Å; M177-I181 WeakPolarHBondContact O-CB 3.37Å; M177-I181 VanDerWaalsContact O-CG1 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.26Å; M177-I181 PolarHBondContact O-N 3.16Å; A178-I181 WeakPolarHBondContact O-CB 3.35Å; A178-I181 PolarHBondContact O-N 3.36Å; A178-I181 VanDerWaalsContact O-N 3.07Å; I181-F183 VanDerWaalsContact C-N 3.31Å; I181-F183 PolarHBondContact O-N 3.19Å; I181-M184 CarbonylContact O-C 3.57Å; I181-M184 PolarHBondContact O-N 3.27Å; I181-V185 HydrophobicContact CG2-CG2 4.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 2.87Å; I181-F256 HydrophobicContact CG1-CD2 4.23Å; I181-F256 HydrophobicContact CG1-CE2 4.23Å
182	D	95.1	Very high	94.4	Very high	87 Å²	87	44.9 Å²	44.9	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-43.3	-179.8	-71.1	-16.8	0	0	0	111.4	A178 M184 V185 D186	A178-D182 PolarHBondContact O-N 2.72Å; D182-M184 VanDerWaalsContact C-N 3.34Å; D182-M184 PolarHBondContact O-N 2.87Å; D182-V185 PolarHBondContact O-N 3.13Å; D182-D186 PolarHBondContact O-N 3.49Å
183	F	96.9	Very high	95.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-41.3	174.6	-174.1	-103.1	0	0	0	112.8	I4 K5 Y10 V58 D179 I181 D186 R187 L259	I4-F183 HydrophobicContact CB-CB 3.98Å; I4-F183 HydrophobicContact CB-CD2 3.78Å; I4-F183 HydrophobicContact CB-CG 3.95Å; I4-F183 HydrophobicContact CD1-CB 4.05Å; I4-F183 HydrophobicContact CD1-CG 4.42Å; I4-F183 HydrophobicContact CG1-CB 4.49Å; I4-F183 HydrophobicContact CG2-CB 4.28Å; I4-F183 HydrophobicContact CG2-CD1 4.24Å; I4-F183 HydrophobicContact CG2-CD2 3.47Å; I4-F183 VanDerWaalsContact CG2-CD2 3.47Å; I4-F183 HydrophobicContact CG2-CE2 3.78Å; I4-F183 HydrophobicContact CG2-CG 3.72Å; I4-F183 HydrophobicContact CG2-CZ 4.3Å; K5-F183 HydrophobicContact CB-CD2 4.27Å; Y10-F183 HydrophobicContact CD1-CE2 4.49Å; Y10-F183 HydrophobicContact CD2-CE2 4.18Å; Y10-F183 HydrophobicContact CD2-CZ 4.06Å; Y10-F183 HydrophobicContact CE1-CE2 4.14Å; Y10-F183 AromaticContact CE2-CE2 3.82Å; Y10-F183 HydrophobicContact CE2-CE2 3.82Å; Y10-F183 AromaticContact CE2-CZ 3.52Å; Y10-F183 HydrophobicContact CE2-CZ 3.52Å; Y10-F183 AromaticContact CZ-CE2 3.8Å; Y10-F183 AromaticContact CZ-CZ 3.84Å; V58-F183 HydrophobicContact CG1-CE1 4.32Å; D179-F183 WeakPolarHBondContact O-CB 3.26Å; D179-F183 PolarHBondContact O-N 3.14Å; D179-F183 VanDerWaalsContact O-N 3.1Å; I181-F183 VanDerWaalsContact C-N 3.31Å; I181-F183 PolarHBondContact O-N 3.19Å; F183-D186 WeakPolarHBondContact O-CB 3.24Å; F183-D186 PolarHBondContact O-N 3.4Å; F183-R187 HydrophobicContact CD1-CG 4.37Å; F183-R187 HydrophobicContact CE1-CG 4Å; F183-R187 HydrophobicContact CZ-CG 4.31Å; F183-R187 WeakPolarHBondContact O-CG 3.44Å; F183-R187 PolarHBondContact O-N 3.08Å; F183-L259 HydrophobicContact CD1-CD1 3.89Å; F183-L259 HydrophobicContact CD1-CD2 4.14Å; F183-L259 HydrophobicContact CE1-CD2 4.35Å
184	M	97.1	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-33.8	177.3	-71.6	-61	-61.9	0	0	112.7	P51 S53 V58 F168 A180 I181 D182 D186 R187 L188 F256 L259	P51-M184 HydrophobicContact CG-CE 3.98Å; S53-M184 VanDerWaalsContact OG-CE 3.26Å; S53-M184 WeakPolarHBondContact OG-CE 3.16Å; V58-M184 HydrophobicContact CB-SD 3.91Å; V58-M184 HydrophobicContact CG1-CE 4.13Å; V58-M184 HydrophobicContact CG1-SD 3.44Å; V58-M184 WeakPolarHBondContact CG1-SD 3.39Å; F168-M184 HydrophobicContact CE2-CB 4.05Å; F168-M184 HydrophobicContact CZ-CB 4.2Å; A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 VanDerWaalsContact O-CG 3.26Å; A180-M184 WeakPolarHBondContact O-CG 2.94Å; A180-M184 PolarHBondContact O-N 3.28Å; I181-M184 CarbonylContact O-C 3.57Å; I181-M184 PolarHBondContact O-N 3.27Å; D182-M184 VanDerWaalsContact C-N 3.34Å; D182-M184 PolarHBondContact O-N 2.87Å; M184-D186 VanDerWaalsContact C-N 3.32Å; M184-R187 PolarHBondContact O-N 3.23Å; M184-L188 WeakPolarHBondContact O-CB 3.44Å; M184-L188 PolarHBondContact O-N 2.7Å; M184-F256 HydrophobicContact CB-CD2 4.15Å; M184-F256 HydrophobicContact CB-CE1 4.46Å; M184-F256 HydrophobicContact CB-CE2 3.79Å; M184-F256 HydrophobicContact CB-CZ 3.97Å; M184-F256 HydrophobicContact CE-CD1 4.14Å; M184-F256 HydrophobicContact CE-CE1 3.83Å; M184-F256 HydrophobicContact CE-CZ 4.32Å; M184-F256 HydrophobicContact CG-CB 4.48Å; M184-F256 HydrophobicContact CG-CD1 3.92Å; M184-F256 HydrophobicContact CG-CD2 3.68Å; M184-F256 HydrophobicContact CG-CE1 4.02Å; M184-F256 HydrophobicContact CG-CE2 3.78Å; M184-F256 HydrophobicContact CG-CG 3.75Å; M184-F256 HydrophobicContact CG-CZ 3.96Å; M184-F256 HydrophobicContact SD-CD1 4.43Å; M184-L259 HydrophobicContact CG-CD1 3.65Å; M184-L259 HydrophobicContact SD-CD1 3.72Å
185	V	95.7	Very high	95.6	Very high	39 Å²	39	41 Å²	41	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-45.6	170.6	173.1	0	0	0	0	109.6	L165 F168 I181 D182 R187 L188 E189	L165-V185 HydrophobicContact CD2-CG1 4.49Å; L165-V185 HydrophobicContact CD2-CG2 3.8Å; F168-V185 HydrophobicContact CD2-CG2 4.13Å; F168-V185 HydrophobicContact CE2-CG2 3.87Å; I181-V185 HydrophobicContact CG2-CG2 4.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 2.87Å; D182-V185 PolarHBondContact O-N 3.13Å; V185-R187 VanDerWaalsContact C-N 3.33Å; V185-R187 PolarHBondContact O-N 3.31Å; V185-L188 WeakPolarHBondContact O-CB 3.44Å; V185-L188 PolarHBondContact O-N 3.04Å; V185-E189 WeakPolarHBondContact O-CG 3.21Å; V185-E189 PolarHBondContact O-N 3.3Å
186	D	95.2	Very high	95.7	Very high	43 Å²	43	36.4 Å²	36.4	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-37.7	176.9	-95.7	11.5	0	0	0	113.4	K5 D182 F183 M184 S190	K5-D186 WeakPolarHBondContact CD-OD2 3.22Å; K5-D186 WeakPolarHBondContact CE-OD2 3.32Å; K5-D186 IonicContact NZ-OD2 3.65Å; K5-D186 PolarHBondContact NZ-OD2 2.86Å; D182-D186 PolarHBondContact O-N 3.49Å; F183-D186 WeakPolarHBondContact O-CB 3.24Å; F183-D186 PolarHBondContact O-N 3.4Å; M184-D186 VanDerWaalsContact C-N 3.32Å; D186-S190 PolarHBondContact O-N 3.33Å
187	R	95.9	Very high	95.9	Very high	34 Å²	34	32.3 Å²	32.3	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-42.5	173.2	-65.3	-52.2	80.4	154.3	7.2	111.7	Y10 T55 D57 V58 F183 M184 V185 E189 S190	Y10-R187 PolarHBondContact OH-NH1 2.85Å; T55-R187 HydrophobicContact CG2-CB 4.47Å; T55-R187 WeakPolarHBondContact OG1-CD 3.29Å; D57-R187 WeakPolarHBondContact OD1-CD 3.28Å; D57-R187 IonicContact OD1-NH1 3.17Å; D57-R187 IonicContact OD2-CZ 2.7Å; D57-R187 IonicContact OD2-NH1 3.81Å; D57-R187 PolarHBondContact OD2-NH1 3.27Å; V58-R187 HydrophobicContact CG1-CB 4.49Å; V58-R187 HydrophobicContact CG1-CG 3.88Å; F183-R187 HydrophobicContact CD1-CG 4.37Å; F183-R187 HydrophobicContact CE1-CG 4Å; F183-R187 HydrophobicContact CZ-CG 4.31Å; F183-R187 WeakPolarHBondContact O-CG 3.44Å; F183-R187 PolarHBondContact O-N 3.08Å; M184-R187 PolarHBondContact O-N 3.23Å; V185-R187 VanDerWaalsContact C-N 3.33Å; V185-R187 PolarHBondContact O-N 3.31Å; R187-E189 PolarHBondContact O-N 2.7Å; R187-S190 PolarHBondContact O-N 3.4Å; R187-S190 VanDerWaalsContact O-N 3.12Å; R187-S190 PolarHBondContact O-OG 2.99Å
188	L	95.8	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-40	175	175.1	60.5	0	0	0	111.5	K161 V164 L165 M184 V185 S190 L191 L196	K161-L188 HydrophobicContact CB-CD2 4.47Å; K161-L188 WeakPolarHBondContact CE-O 3.41Å; K161-L188 HydrophobicContact CG-CD1 4.19Å; K161-L188 HydrophobicContact CG-CG 4.18Å; V164-L188 HydrophobicContact CB-CD1 4.22Å; V164-L188 HydrophobicContact CB-CD2 4.05Å; V164-L188 HydrophobicContact CG1-CD1 4.03Å; V164-L188 HydrophobicContact CG1-CD2 3.87Å; V164-L188 HydrophobicContact CG2-CD1 4.47Å; L165-L188 HydrophobicContact CD1-CD2 4.41Å; L165-L188 HydrophobicContact CD2-CD2 3.71Å; L165-L188 HydrophobicContact CG-CD2 3.64Å; M184-L188 WeakPolarHBondContact O-CB 3.44Å; M184-L188 PolarHBondContact O-N 2.7Å; V185-L188 WeakPolarHBondContact O-CB 3.44Å; V185-L188 PolarHBondContact O-N 3.04Å; L188-S190 PolarHBondContact O-N 3.16Å; L188-L191 HydrophobicContact CD1-CD1 4.37Å; L188-L191 PolarHBondContact O-N 3.24Å; L188-L196 HydrophobicContact CD1-CD1 3.96Å; L188-L196 HydrophobicContact CD1-CD2 3.46Å; L188-L196 VanDerWaalsContact CD1-CD2 3.46Å; L188-L196 HydrophobicContact CD1-CG 4.35Å
189	E	95.3	Very high	96.1	Very high	95 Å²	95	30.2 Å²	30.2	44%	0.444	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-31	178.5	-76.7	-55.5	141.8	0	0	113.3	K161 V185 R187 L191	K161-E189 PolarHBondContact NZ-O 3.2Å; K161-E189 IonicContact NZ-OE2 3.68Å; K161-E189 PolarHBondContact NZ-OE2 3Å; V185-E189 WeakPolarHBondContact O-CG 3.21Å; V185-E189 PolarHBondContact O-N 3.3Å; R187-E189 PolarHBondContact O-N 2.7Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.28Å
190	S	95	Very high	96.1	Very high	76 Å²	76	29.1 Å²	29.1	53%	0.531	17%	0.165	S	C	.	.	H	α-helix	trans	-74.5	-15.1	177.8	76.2	0	0	0	0	114.6	D186 R187 L188	D186-S190 PolarHBondContact O-N 3.33Å; R187-S190 PolarHBondContact O-N 3.4Å; R187-S190 VanDerWaalsContact O-N 3.12Å; R187-S190 PolarHBondContact O-OG 2.99Å; L188-S190 PolarHBondContact O-N 3.16Å
191	L	95.9	Very high	96.1	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	17%	0.167	C	C	.	.	S	Bend	trans	-79.5	136	-178.2	-65.9	171.5	0	0	0	111.8	T55 L188 E189 E195 L196 R199	T55-L191 HydrophobicContact CG2-CD2 3.84Å; T55-L191 HydrophobicContact CG2-CG 4.41Å; L188-L191 HydrophobicContact CD1-CD1 4.37Å; L188-L191 PolarHBondContact O-N 3.24Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.28Å; L191-E195 HydrophobicContact CD2-CB 4.48Å; L191-L196 HydrophobicContact CB-CD1 4.18Å; L191-L196 HydrophobicContact CB-CD2 4.04Å; L191-L196 HydrophobicContact CB-CG 3.83Å; L191-L196 HydrophobicContact CD1-CD2 3.67Å; L191-L196 HydrophobicContact CD1-CG 4.38Å; L191-R199 VanDerWaalsContact CD1-NH1 3.3Å
192	G	95.8	Very high	96.1	Very high	29 Å²	29	28.1 Å²	28.1	30%	0.299	16%	0.16	S	C	.	.			trans	-70.8	167.6	175.2	0	0	0	0	0	113.4	E195 L196	G192-E195 PolarHBondContact N-OE2 2.99Å; G192-L196 PolarHBondContact O-N 3.44Å; G192-L196 VanDerWaalsContact O-N 3.13Å
193	Q	96.8	Very high	96.1	Very high	66 Å²	66	24.3 Å²	24.3	31%	0.308	14%	0.139	S	C	.	.	H	α-helix	trans	-60.4	-47.6	178.1	-173.4	-85.8	-21.1	0	0	111.9	W153 M155 A157 L160 L196 A197	W153-Q193 PolarHBondContact O-NE2 3.38Å; M155-Q193 PolarHBondContact O-NE2 3.35Å; A157-Q193 HydrophobicContact CB-CB 3.98Å; A157-Q193 HydrophobicContact CB-CG 4.26Å; L160-Q193 HydrophobicContact CD1-CG 4.06Å; Q193-L196 PolarHBondContact O-N 3.42Å; Q193-A197 VanDerWaalsContact O-CB 3.29Å; Q193-A197 WeakPolarHBondContact O-CB 3.33Å; Q193-A197 PolarHBondContact O-N 3.02Å
194	S	96.4	Very high	95.9	Very high	53 Å²	53	24.3 Å²	24.3	37%	0.371	14%	0.139	S	C	.	.	H	α-helix	trans	-65.4	-41.6	-178.2	51	0	0	0	0	112.2	L196 A197 S198	S194-L196 PolarHBondContact O-N 3.34Å; S194-A197 PolarHBondContact O-N 2.81Å; S194-S198 WeakPolarHBondContact O-CB 3.4Å; S194-S198 PolarHBondContact O-N 3.44Å; S194-S198 PolarHBondContact O-OG 2.94Å
195	E	96.7	Very high	95.7	Very high	44 Å²	44	27.1 Å²	27.1	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.4	-66.4	-179.2	102.1	0	0	111.6	Q77 V80 L191 G192 S198 R199	Q77-E195 PolarHBondContact NE2-OE1 3.33Å; V80-E195 HydrophobicContact CG2-CG 4.04Å; L191-E195 HydrophobicContact CD2-CB 4.48Å; G192-E195 PolarHBondContact N-OE2 2.99Å; E195-S198 PolarHBondContact O-OG 3.27Å; E195-R199 WeakPolarHBondContact O-CB 3.29Å; E195-R199 VanDerWaalsContact O-CD 3.29Å; E195-R199 WeakPolarHBondContact O-CD 3.26Å; E195-R199 WeakPolarHBondContact O-CG 3.39Å; E195-R199 PolarHBondContact O-N 3.18Å; E195-R199 VanDerWaalsContact O-N 3.16Å; E195-R199 IonicContact OE1-NH2 3.84Å
196	L	96.7	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.4	-42.5	178.8	-74	174.1	0	0	0	112.5	L160 K161 L188 L191 G192 Q193 S194 R199 L200	L160-L196 HydrophobicContact CB-CB 4.11Å; L160-L196 HydrophobicContact CB-CD1 4.47Å; L160-L196 HydrophobicContact CD1-CB 4.16Å; K161-L196 HydrophobicContact CD-CD1 4.44Å; K161-L196 HydrophobicContact CG-CD1 3.52Å; L188-L196 HydrophobicContact CD1-CD1 3.96Å; L188-L196 HydrophobicContact CD1-CD2 3.46Å; L188-L196 VanDerWaalsContact CD1-CD2 3.46Å; L188-L196 HydrophobicContact CD1-CG 4.35Å; L191-L196 HydrophobicContact CB-CD1 4.18Å; L191-L196 HydrophobicContact CB-CD2 4.04Å; L191-L196 HydrophobicContact CB-CG 3.83Å; L191-L196 HydrophobicContact CD1-CD2 3.67Å; L191-L196 HydrophobicContact CD1-CG 4.38Å; G192-L196 PolarHBondContact O-N 3.44Å; G192-L196 VanDerWaalsContact O-N 3.13Å; Q193-L196 PolarHBondContact O-N 3.42Å; S194-L196 PolarHBondContact O-N 3.34Å; L196-R199 PolarHBondContact O-N 2.92Å; L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3Å
197	A	97	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-48.9	179	0	0	0	0	0	110.5	W82 F152 L160 Q193 S194 R199 L200 T201	W82-A197 HydrophobicContact CH2-CB 3.72Å; W82-A197 HydrophobicContact CZ3-CB 4.04Å; F152-A197 HydrophobicContact CB-CB 4.18Å; L160-A197 HydrophobicContact CD1-CB 3.86Å; Q193-A197 VanDerWaalsContact O-CB 3.29Å; Q193-A197 WeakPolarHBondContact O-CB 3.33Å; Q193-A197 PolarHBondContact O-N 3.02Å; S194-A197 PolarHBondContact O-N 2.81Å; A197-R199 PolarHBondContact O-N 3.43Å; A197-L200 PolarHBondContact O-N 2.9Å; A197-T201 WeakPolarHBondContact O-CB 3.42Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.35Å
198	S	97.1	Very high	95.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-39.8	-177.6	85.5	0	0	0	0	112	Y81 S194 E195 T201 L202	Y81-S198 VanDerWaalsContact O-CB 3.25Å; Y81-S198 WeakPolarHBondContact O-CB 3.43Å; S194-S198 WeakPolarHBondContact O-CB 3.4Å; S194-S198 PolarHBondContact O-N 3.44Å; S194-S198 PolarHBondContact O-OG 2.94Å; E195-S198 PolarHBondContact O-OG 3.27Å; S198-T201 WeakPolarHBondContact O-CB 3.34Å; S198-T201 PolarHBondContact O-N 3.34Å; S198-L202 WeakPolarHBondContact O-CG 3.32Å; S198-L202 PolarHBondContact O-N 3.18Å
199	R	97	Very high	95.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.2	-71.1	171.9	-167.2	-164.2	6.1	112.6	V52 G54 Y78 L110 L191 E195 L196 A197 T201 L202 N203	V52-R199 HydrophobicContact CB-CB 4.48Å; V52-R199 HydrophobicContact CG1-CB 3.98Å; V52-R199 HydrophobicContact CG2-CB 4.47Å; V52-R199 WeakPolarHBondContact O-CD 3.37Å; V52-R199 PolarHBondContact O-NH1 3.45Å; G54-R199 PolarHBondContact O-NH1 3.09Å; Y78-R199 HydrophobicContact CE2-CG 3.78Å; L110-R199 HydrophobicContact CD2-CB 4.08Å; L110-R199 VanDerWaalsContact CD2-O 3.29Å; L110-R199 WeakPolarHBondContact CD2-O 3.47Å; L191-R199 VanDerWaalsContact CD1-NH1 3.3Å; E195-R199 WeakPolarHBondContact O-CB 3.29Å; E195-R199 VanDerWaalsContact O-CD 3.29Å; E195-R199 WeakPolarHBondContact O-CD 3.26Å; E195-R199 WeakPolarHBondContact O-CG 3.39Å; E195-R199 PolarHBondContact O-N 3.18Å; E195-R199 VanDerWaalsContact O-N 3.16Å; E195-R199 IonicContact OE1-NH2 3.84Å; L196-R199 PolarHBondContact O-N 2.92Å; A197-R199 PolarHBondContact O-N 3.43Å; R199-T201 VanDerWaalsContact C-N 3.33Å; R199-L202 PolarHBondContact O-N 3.36Å; R199-N203 WeakPolarHBondContact O-CB 3.28Å; R199-N203 PolarHBondContact O-N 2.92Å
200	L	95.8	Very high	95.5	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-37.1	175.2	-76.8	167.4	0	0	0	111.3	V52 F152 L160 I163 V164 L196 A197 N203 C204	V52-L200 HydrophobicContact CG1-CD2 4.08Å; V52-L200 HydrophobicContact CG1-CG 4.07Å; F152-L200 HydrophobicContact CD1-CB 4.43Å; F152-L200 HydrophobicContact CD2-CB 3.55Å; F152-L200 HydrophobicContact CE2-CB 3.61Å; F152-L200 WeakPolarHBondContact CE2-O 3.37Å; F152-L200 HydrophobicContact CG-CB 4Å; F152-L200 HydrophobicContact CZ-CB 4.13Å; L160-L200 HydrophobicContact CB-CD1 4.04Å; L160-L200 HydrophobicContact CD2-CD1 3.66Å; L160-L200 HydrophobicContact CG-CD1 4.44Å; I163-L200 HydrophobicContact CG2-CD2 4.14Å; V164-L200 HydrophobicContact CG2-CD1 4.11Å; V164-L200 HydrophobicContact CG2-CD2 4.01Å; V164-L200 HydrophobicContact CG2-CG 4.27Å; L196-L200 WeakPolarHBondContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3Å; A197-L200 PolarHBondContact O-N 2.9Å; L200-N203 PolarHBondContact O-N 3.5Å; L200-C204 WeakPolarHBondContact O-CB 3.41Å; L200-C204 PolarHBondContact O-N 2.98Å
201	T	95.8	Very high	95.4	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-50.7	172	-63.4	0	0	0	0	110.7	W82 A149 A197 S198 R199 N203 C204 Q205	W82-T201 HydrophobicContact CE3-CG2 4.42Å; A149-T201 PolarHBondContact O-OG1 2.89Å; A197-T201 WeakPolarHBondContact O-CB 3.42Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.35Å; S198-T201 WeakPolarHBondContact O-CB 3.34Å; S198-T201 PolarHBondContact O-N 3.34Å; R199-T201 VanDerWaalsContact C-N 3.33Å; T201-N203 VanDerWaalsContact C-N 3.25Å; T201-N203 PolarHBondContact O-N 3.12Å; T201-C204 PolarHBondContact O-N 2.7Å; T201-C204 VanDerWaalsContact O-N 3.15Å; T201-Q205 WeakPolarHBondContact O-CB 3.17Å; T201-Q205 PolarHBondContact O-N 2.91Å
202	L	96.3	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-35	175.6	-67.4	173.9	0	0	0	112.7	H84 L110 L114 S198 R199 C204	H84-L202 PolarHBondContact NE2-O 2.89Å; H84-L202 VanDerWaalsContact NE2-O 3.09Å; L110-L202 HydrophobicContact CD1-CB 4.1Å; L110-L202 HydrophobicContact CD2-CB 4.34Å; L114-L202 HydrophobicContact CD1-CD1 4.36Å; L114-L202 HydrophobicContact CD2-CD1 4.39Å; S198-L202 WeakPolarHBondContact O-CG 3.32Å; S198-L202 PolarHBondContact O-N 3.18Å; R199-L202 PolarHBondContact O-N 3.36Å; L202-C204 VanDerWaalsContact C-N 3.35Å
203	N	94.8	Very high	95.3	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-73.3	-25.7	179.5	-166.1	81.9	0	0	0	113.5	V52 L110 F137 F143 R199 L200 T201	V52-N203 HydrophobicContact CG2-CB 4.05Å; L110-N203 HydrophobicContact CD1-CB 4.11Å; L110-N203 HydrophobicContact CD2-CB 4.35Å; F137-N203 VanDerWaalsContact CZ-OD1 3.29Å; F137-N203 WeakPolarHBondContact CZ-OD1 3.33Å; F143-N203 WeakPolarHBondContact CD2-ND2 3.28Å; F143-N203 WeakPolarHBondContact CD2-O 3.4Å; F143-N203 VanDerWaalsContact CE2-ND2 3.29Å; F143-N203 WeakPolarHBondContact CE2-ND2 3.34Å; F143-N203 WeakPolarHBondContact CZ-ND2 3.27Å; R199-N203 WeakPolarHBondContact O-CB 3.28Å; R199-N203 PolarHBondContact O-N 2.92Å; L200-N203 PolarHBondContact O-N 3.5Å; T201-N203 VanDerWaalsContact C-N 3.25Å; T201-N203 PolarHBondContact O-N 3.12Å
204	C	92.8	Very high	95.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-119.1	-10.1	-171	-63.8	0	0	0	0	114.2	Q145 T146 A149 F152 L200 T201 L202 N206	Q145-C204 HydrophobicContact CB-CB 4.03Å; T146-C204 WeakPolarHBondContact CA-O 3.39Å; A149-C204 HydrophobicContact CB-CB 3.85Å; F152-C204 HydrophobicContact CE2-CB 4.13Å; L200-C204 WeakPolarHBondContact O-CB 3.41Å; L200-C204 PolarHBondContact O-N 2.98Å; T201-C204 PolarHBondContact O-N 2.7Å; T201-C204 VanDerWaalsContact O-N 3.15Å; L202-C204 VanDerWaalsContact C-N 3.35Å; C204-N206 PolarHBondContact O-N 2.77Å
205	Q	91.9	Very high	94.9	Very high	60 Å²	60	41 Å²	41	28%	0.28	19%	0.189	S	C	.	.	S	Bend	trans	-69.9	127	174.6	178.5	-177.4	-2.5	0	0	109.7	W82 T140 T201 S207	W82-Q205 PolarHBondContact O-OE1 3.14Å; T140-Q205 WeakPolarHBondContact CG2-O 3.44Å; T140-Q205 PolarHBondContact OG1-O 3.14Å; T201-Q205 WeakPolarHBondContact O-CB 3.17Å; T201-Q205 PolarHBondContact O-N 2.91Å; Q205-S207 PolarHBondContact O-N 3.25Å
206	N	91.5	Very high	94.6	Very high	112 Å²	112	45.3 Å²	45.3	60%	0.599	21%	0.214	S	C	*	.	S	Bend	trans	-55.4	111	-173.6	-162.9	29.9	0	0	0	112	T140 T146 C204	T140-N206 WeakPolarHBondContact OG1-CA 3.37Å; T146-N206 HydrophobicContact CG2-CB 3.78Å; C204-N206 PolarHBondContact O-N 2.77Å
207	S	94.1	Very high	94.6	Very high	21 Å²	21	46.8 Å²	46.8	15%	0.147	22%	0.221	C	C	.	.			trans	-156.9	144.7	179	-165.8	0	0	0	0	110	T140 Q205	T140-S207 PolarHBondContact N-O 3.33Å; T140-S207 PolarHBondContact OG1-N 2.91Å; T140-S207 PolarHBondContact OG1-O 3.06Å; Q205-S207 PolarHBondContact O-N 3.25Å
208	Y	95.7	Very high	94.7	Very high	106 Å²	106	48.8 Å²	48.8	42%	0.416	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-129.7	148.6	176.8	171.8	-109.1	0	0	0	109.1	K117 S138 D139 P211 L241	K117-Y208 PolarHBondContact NZ-O 3.16Å; S138-Y208 WeakPolarHBondContact O-CD2 3.44Å; D139-Y208 HydrophobicContact CB-CD2 3.9Å; Y208-P211 HydrophobicContact CE1-CG 4.32Å; Y208-P211 VanDerWaalsContact OH-CG 3.29Å; Y208-P211 WeakPolarHBondContact OH-CG 3.29Å; Y208-L241 HydrophobicContact CE2-CD1 3.76Å; Y208-L241 WeakPolarHBondContact OH-CD1 3.26Å
209	V	96.5	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.			trans	-83.1	122.1	174.9	176.3	0	0	0	0	109.6	F113 Q116 K117 E120 S138 P211 I214 L241	F113-V209 HydrophobicContact CD2-CG2 4.08Å; F113-V209 HydrophobicContact CE2-CG2 3.78Å; Q116-V209 HydrophobicContact CB-CG1 4.04Å; Q116-V209 HydrophobicContact CB-CG2 3.66Å; K117-V209 HydrophobicContact CD-CG2 3.94Å; E120-V209 WeakPolarHBondContact OE2-CA 2.98Å; S138-V209 PolarHBondContact O-N 3.06Å; V209-P211 WeakPolarHBondContact O-CD 3.46Å; V209-I214 HydrophobicContact CG1-CD1 3.25Å; V209-I214 HydrophobicContact CG1-CG1 4.32Å; V209-L241 HydrophobicContact CG1-CD2 4.43Å
210	E	95.8	Very high	94.8	Very high	65 Å²	65	49.4 Å²	49.4	30%	0.304	24%	0.238	S	C	.	.			trans	-79.7	107	-179.2	-70	-178.7	-132.5	0	0	111.9	E120 H212 K213	E120-E210 HydrophobicContact CG-CB 4.29Å; E120-E210 PolarHBondContact OE2-N 2.93Å; E210-H212 VanDerWaalsContact C-N 3.31Å; E210-H212 PolarHBondContact O-N 3.29Å; E210-H212 IonicContact OE2-CE1 3.59Å; E210-H212 PolarHBondContact OE2-CE1 3.17Å; E210-H212 IonicContact OE2-NE2 2.7Å; E210-H212 PolarHBondContact OE2-NE2 3.21Å; E210-K213 HydrophobicContact CB-CD 4.06Å; E210-K213 HydrophobicContact CB-CG 4.4Å; E210-K213 PolarHBondContact O-N 3.08Å; E210-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 IonicContact OE1-NZ 2.7Å; E210-K213 PolarHBondContact OE1-NZ 2.89Å; E210-K213 WeakPolarHBondContact OE2-CE 3.47Å; E210-K213 IonicContact OE2-NZ 3.6Å; E210-K213 PolarHBondContact OE2-NZ 2.85Å
211	P	92.7	Very high	94.9	Very high	41 Å²	41	49.2 Å²	49.2	27%	0.266	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.6	-33.8	-166.3	-21.3	32.8	0	0	0	113.5	Y208 V209 K213 I214 R215 L241	Y208-P211 HydrophobicContact CE1-CG 4.32Å; Y208-P211 VanDerWaalsContact OH-CG 3.29Å; Y208-P211 WeakPolarHBondContact OH-CG 3.29Å; V209-P211 WeakPolarHBondContact O-CD 3.46Å; P211-K213 PolarHBondContact O-N 2.87Å; P211-I214 PolarHBondContact O-N 2.98Å; P211-I214 VanDerWaalsContact O-N 3.14Å; P211-R215 PolarHBondContact O-N 3.29Å; P211-L241 HydrophobicContact CB-CG 4.1Å; P211-L241 HydrophobicContact CG-CD1 3.75Å; P211-L241 HydrophobicContact CG-CG 3.8Å
212	H	93.7	Very high	95	Very high	136 Å²	136	48.8 Å²	48.8	63%	0.63	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.7	-21.9	-178.5	66.2	-86.9	0	0	0	113.3	E210	E210-H212 VanDerWaalsContact C-N 3.31Å; E210-H212 PolarHBondContact O-N 3.29Å; E210-H212 IonicContact OE2-CE1 3.59Å; E210-H212 PolarHBondContact OE2-CE1 3.17Å; E210-H212 IonicContact OE2-NE2 2.7Å; E210-H212 PolarHBondContact OE2-NE2 3.21Å
213	K	96	Very high	95	Very high	58 Å²	58	48.9 Å²	48.9	25%	0.252	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-84.1	-15.6	177.9	-69.9	176.6	177.4	161	0	113.3	E120 H123 E210 P211	E120-K213 HydrophobicContact CG-CB 3.93Å; E120-K213 HydrophobicContact CG-CD 3.46Å; E120-K213 VanDerWaalsContact CG-CD 3.46Å; E120-K213 HydrophobicContact CG-CG 4.33Å; H123-K213 HydrophobicContact CB-CB 4Å; H123-K213 VanDerWaalsContact CB-O 3.22Å; H123-K213 WeakPolarHBondContact CB-O 3.45Å; E210-K213 HydrophobicContact CB-CD 4.06Å; E210-K213 HydrophobicContact CB-CG 4.4Å; E210-K213 PolarHBondContact O-N 3.08Å; E210-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 IonicContact OE1-NZ 2.7Å; E210-K213 PolarHBondContact OE1-NZ 2.89Å; E210-K213 WeakPolarHBondContact OE2-CE 3.47Å; E210-K213 IonicContact OE2-NZ 3.6Å; E210-K213 PolarHBondContact OE2-NZ 2.85Å; P211-K213 PolarHBondContact O-N 2.87Å
214	I	95.1	Very high	94.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	8	-172.4	62.1	170.9	0	0	0	113.7	A119 E120 V209 P211 D216 I217 L241 Y242	A119-I214 HydrophobicContact CB-CG2 3.96Å; E120-I214 HydrophobicContact CB-CG2 4.02Å; V209-I214 HydrophobicContact CG1-CD1 3.25Å; V209-I214 HydrophobicContact CG1-CG1 4.32Å; P211-I214 PolarHBondContact O-N 2.98Å; P211-I214 VanDerWaalsContact O-N 3.14Å; I214-D216 PolarHBondContact O-N 2.98Å; I214-D216 VanDerWaalsContact O-N 3.16Å; I214-I217 HydrophobicContact CB-CD1 4.08Å; I214-I217 HydrophobicContact CG2-CD1 4.18Å; I214-I217 PolarHBondContact O-N 3.3Å; I214-L241 HydrophobicContact CD1-CD2 4.27Å; I214-Y242 HydrophobicContact CD1-CE1 3.62Å; I214-Y242 WeakPolarHBondContact CD1-OH 3.47Å; I214-Y242 HydrophobicContact CG1-CE1 4.25Å
215	R	89.9	Confident	94.7	Very high	189 Å²	189	55.1 Å²	55.1	71%	0.713	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.1	-174.4	-168.7	-172.5	75.7	173.7	4.3	113.8	P211 I217	P211-R215 PolarHBondContact O-N 3.29Å; R215-I217 VanDerWaalsContact C-N 3.32Å
216	D	91.3	Very high	94.5	Very high	135 Å²	135	54.1 Å²	54.1	72%	0.722	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	8.4	-171.3	-51.2	-36	0	0	0	112.7	I214	I214-D216 PolarHBondContact O-N 2.98Å; I214-D216 VanDerWaalsContact O-N 3.16Å
217	I	96.4	Very high	94.2	Very high	31 Å²	31	55 Å²	55	16%	0.159	26%	0.259	C	S	.	.	S	Bend	trans	-88.6	126.4	177.5	-59.5	178.9	0	0	0	109.1	A119 L131 I214 R215 V219	A119-I217 HydrophobicContact CB-CD1 3.65Å; L131-I217 HydrophobicContact CD1-CG2 4.03Å; L131-I217 HydrophobicContact CG-CG2 4.09Å; I214-I217 HydrophobicContact CB-CD1 4.08Å; I214-I217 HydrophobicContact CG2-CD1 4.18Å; I214-I217 PolarHBondContact O-N 3.3Å; R215-I217 VanDerWaalsContact C-N 3.32Å; I217-V219 VanDerWaalsContact O-CG2 3.28Å; I217-V219 WeakPolarHBondContact O-CG2 3.4Å; I217-V219 PolarHBondContact O-N 3.34Å
218	P	98.1	Very high	93.8	Very high	42 Å²	42	55 Å²	55	27%	0.273	26%	0.259	S	S	.	.			trans	-60.3	124	171.4	-23.8	34	0	0	0	111.2	H129 S130 L131 F276	H129-P218 WeakPolarHBondContact O-CD 3.21Å; S130-P218 WeakPolarHBondContact CA-O 3.37Å; S130-P218 WeakPolarHBondContact CB-O 3.4Å; L131-P218 PolarHBondContact N-O 2.96Å; P218-F276 HydrophobicContact CB-CZ 4.1Å; P218-F276 HydrophobicContact CG-CE1 4.28Å; P218-F276 HydrophobicContact CG-CZ 4.08Å
219	V	98.5	Very high	93.3	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	-178.7	-176.3	0	0	0	0	111	L131 L133 I217 I221 Y242 A245 R246	L131-V219 HydrophobicContact CB-CG1 4.31Å; L131-V219 HydrophobicContact CB-CG2 4.08Å; L131-V219 HydrophobicContact CD1-CG2 4.16Å; L131-V219 CarbonylContact O-C 3.59Å; L131-V219 WeakPolarHBondContact O-CA 3.35Å; L133-V219 HydrophobicContact CD1-CG1 3.72Å; L133-V219 HydrophobicContact CG-CG1 4.1Å; I217-V219 VanDerWaalsContact O-CG2 3.28Å; I217-V219 WeakPolarHBondContact O-CG2 3.4Å; I217-V219 PolarHBondContact O-N 3.34Å; V219-I221 HydrophobicContact CG1-CG1 4.12Å; V219-Y242 HydrophobicContact CB-CD1 4.12Å; V219-Y242 HydrophobicContact CB-CG 4.42Å; V219-Y242 HydrophobicContact CG1-CD1 4.27Å; V219-Y242 HydrophobicContact CG1-CD2 4.43Å; V219-Y242 HydrophobicContact CG1-CG 4.22Å; V219-Y242 HydrophobicContact CG2-CD1 3.61Å; V219-Y242 HydrophobicContact CG2-CE1 3.65Å; V219-Y242 HydrophobicContact CG2-CG 4.36Å; V219-A245 HydrophobicContact CB-CB 3.97Å; V219-A245 HydrophobicContact CG1-CB 4.06Å; V219-A245 WeakPolarHBondContact O-CA 3.49Å; V219-R246 PolarHBondContact O-N 3.11Å
220	T	98.6	Very high	92.8	Very high	5 Å²	5	53 Å²	53	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	161.6	-66.1	0	0	0	0	109.5	L131 I132 L133 R246 A248 H272	L131-T220 PolarHBondContact O-N 3.27Å; I132-T220 CarbonylContact C-O 3.57Å; I132-T220 WeakPolarHBondContact CA-O 3.48Å; L133-T220 PolarHBondContact N-O 3.03Å; T220-R246 CarbonylContact C-O 3.56Å; T220-R246 VanDerWaalsContact CA-O 3.27Å; T220-R246 WeakPolarHBondContact CA-O 3.17Å; T220-R246 HydrophobicContact CG2-CB 4.37Å; T220-A248 HydrophobicContact CG2-CB 3.88Å; T220-H272 WeakPolarHBondContact CB-ND1 3.5Å; T220-H272 PolarHBondContact OG1-ND1 3.33Å
221	I	98.4	Very high	92.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.5	173.9	-58.8	168.2	0	0	0	107.6	V219 D223 M238 Y239 Y242 A245 R246 A248	V219-I221 HydrophobicContact CG1-CG1 4.12Å; I221-D223 VanDerWaalsContact CG2-OD2 3.27Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.45Å; I221-M238 HydrophobicContact CD1-CB 4.21Å; I221-Y239 HydrophobicContact CB-CE1 4.27Å; I221-Y239 HydrophobicContact CD1-CD1 3.75Å; I221-Y239 HydrophobicContact CD1-CE1 4.18Å; I221-Y239 HydrophobicContact CG2-CD1 4.43Å; I221-Y239 HydrophobicContact CG2-CE1 3.78Å; I221-Y242 HydrophobicContact CD1-CD2 4.08Å; I221-A245 HydrophobicContact CD1-CB 3.84Å; I221-A245 HydrophobicContact CG1-CB 3.95Å; I221-R246 PolarHBondContact N-O 3.45Å; I221-A248 PolarHBondContact O-N 2.84Å
222	M	97.9	Very high	92.2	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109.3	-179.7	-178.2	-176.9	-64.7	0	0	109.5	F106 I132 L133 C134 N135 A248 L250 V265 Y268	F106-M222 HydrophobicContact CE2-CE 4.36Å; F106-M222 HydrophobicContact CE2-SD 4.34Å; I132-M222 HydrophobicContact CG2-CE 4.37Å; L133-M222 PolarHBondContact O-N 2.95Å; C134-M222 CarbonylContact C-O 3.57Å; C134-M222 VanDerWaalsContact CA-O 3.31Å; C134-M222 WeakPolarHBondContact CA-O 3.48Å; C134-M222 HydrophobicContact CB-CB 4.42Å; C134-M222 HydrophobicContact CB-SD 4.46Å; N135-M222 PolarHBondContact N-O 3.07Å; M222-A248 VanDerWaalsContact CA-O 3.25Å; M222-A248 WeakPolarHBondContact CA-O 3.43Å; M222-A248 HydrophobicContact CB-CB 4.17Å; M222-A248 HydrophobicContact CE-CB 4.42Å; M222-A248 HydrophobicContact CG-CB 4.27Å; M222-L250 HydrophobicContact CG-CD1 3.45Å; M222-L250 VanDerWaalsContact CG-CD1 3.45Å; M222-L250 HydrophobicContact SD-CD1 3.99Å; M222-V265 HydrophobicContact CE-CB 4.5Å; M222-V265 HydrophobicContact CE-CG1 4.13Å; M222-V265 HydrophobicContact SD-CB 4.19Å; M222-V265 HydrophobicContact SD-CG1 3.89Å; M222-V265 HydrophobicContact SD-CG2 3.75Å; M222-Y268 VanDerWaalsContact CE-CB 3.45Å; M222-Y268 HydrophobicContact CE-CD2 4.21Å; M222-Y268 HydrophobicContact CE-CG 4.19Å
223	D	94.4	Very high	92	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.4	-178.8	-68.6	-47.3	0	0	0	110.9	I221 K235 Y239 A248 H249 L250	I221-D223 VanDerWaalsContact CG2-OD2 3.27Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.45Å; D223-K235 HydrophobicContact CB-CD 4.29Å; D223-Y239 WeakPolarHBondContact OD2-CE1 3.45Å; D223-Y239 VanDerWaalsContact OD2-CZ 3.29Å; D223-Y239 PolarHBondContact OD2-OH 3.41Å; D223-A248 PolarHBondContact N-O 3.34Å; D223-H249 WeakPolarHBondContact O-CA 3.36Å; D223-L250 PolarHBondContact O-N 3.27Å
224	V	92.9	Very high	91.8	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	149.4	169.4	-58.2	0	0	0	0	111.2	N135 D226 K235 L250 G254 P257	N135-V224 PolarHBondContact OD1-N 2.9Å; V224-D226 VanDerWaalsContact CB-OD1 3.26Å; V224-D226 WeakPolarHBondContact CB-OD1 3.34Å; V224-D226 VanDerWaalsContact CG2-OD1 3.25Å; V224-D226 WeakPolarHBondContact CG2-OD1 3.39Å; V224-K235 PolarHBondContact O-NZ 2.98Å; V224-L250 CarbonylContact C-O 3.57Å; V224-L250 WeakPolarHBondContact CA-O 3.37Å; V224-L250 HydrophobicContact CG1-CB 4.16Å; V224-G254 WeakPolarHBondContact CG2-O 3.25Å; V224-P257 HydrophobicContact CG1-CB 3.96Å; V224-P257 HydrophobicContact CG1-CG 4.04Å
225	F	88.9	Confident	91.7	Very high	139 Å²	139	52.6 Å²	52.6	61%	0.61	27%	0.271	S	S	*	.	S	Bend	trans	-90.3	-15.7	175.3	-69.8	-19.6	0	0	0	114.5	H249 L250	F225-H249 HydrophobicContact CD1-CB 4.49Å; F225-H249 HydrophobicContact CE1-CB 3.69Å; F225-H249 AromaticContact CE1-CD2 3.65Å; F225-H249 AromaticContact CE1-CG 3.46Å; F225-H249 VanDerWaalsContact CE1-CG 3.46Å; F225-H249 AromaticContact CE1-ND1 3.76Å; F225-H249 HydrophobicContact CE2-CB 3.97Å; F225-H249 HydrophobicContact CZ-CB 3.39Å; F225-H249 AromaticContact CZ-CG 3.41Å; F225-H249 VanDerWaalsContact CZ-CG 3.41Å; F225-H249 AromaticContact CZ-ND1 3.46Å; F225-H249 WeakPolarHBondContact CZ-ND1 3.19Å; F225-L250 PolarHBondContact N-O 3.41Å
226	D	88.4	Confident	91.8	Very high	39 Å²	39	48.2 Å²	48.2	21%	0.209	26%	0.259	C	S	.	.	S	Bend	trans	-82.2	-176.7	172.7	65.7	-15.1	0	0	0	111.9	V224 S228 T252 G253 G254	V224-D226 VanDerWaalsContact CB-OD1 3.26Å; V224-D226 WeakPolarHBondContact CB-OD1 3.34Å; V224-D226 VanDerWaalsContact CG2-OD1 3.25Å; V224-D226 WeakPolarHBondContact CG2-OD1 3.39Å; D226-S228 PolarHBondContact O-N 2.84Å; D226-T252 HydrophobicContact CB-CG2 4.45Å; D226-T252 VanDerWaalsContact CG-CA 3.47Å; D226-T252 VanDerWaalsContact OD2-CA 3.27Å; D226-T252 WeakPolarHBondContact OD2-CA 3.5Å; D226-T252 WeakPolarHBondContact OD2-CB 3.4Å; D226-G253 PolarHBondContact OD1-N 3.02Å; D226-G253 PolarHBondContact OD2-N 3.36Å; D226-G254 PolarHBondContact OD1-N 2.83Å; D226-G254 PolarHBondContact OD2-N 3.23Å
227	Q	84.2	Confident	91.9	Very high	132 Å²	132	46.2 Å²	46.2	62%	0.617	25%	0.245	S	C	*	.			trans	-64.6	119.2	-176.7	-173.1	178.7	-2.7	0	0	111.3	S169 G254	S169-Q227 PolarHBondContact OG-O 2.95Å; Q227-G254 WeakPolarHBondContact O-CA 3.46Å
228	S	86.6	Confident	91.8	Very high	20 Å²	20	44.8 Å²	44.8	14%	0.14	24%	0.238	C	C	.	.			trans	-125.4	165.2	173.6	60.1	0	0	0	0	111.1	D226 L230 K235 N255	D226-S228 PolarHBondContact O-N 2.84Å; S228-L230 VanDerWaalsContact C-N 3.26Å; S228-L230 PolarHBondContact O-N 3.19Å; S228-L230 PolarHBondContact OG-O 3.42Å; S228-K235 WeakPolarHBondContact OG-CE 3.38Å; S228-K235 PolarHBondContact OG-NZ 3.18Å; S228-N255 WeakPolarHBondContact CA-OD1 3.28Å
229	A	84.6	Confident	91.7	Very high	51 Å²	51	44.7 Å²	44.7	42%	0.421	23%	0.232	S	C	.	.	S	Bend	trans	-63.1	-31	178.9	0	0	0	0	0	113.2	N167 N255	N167-A229 HydrophobicContact CB-CB 4.2Å; A229-N255 WeakPolarHBondContact CB-OD1 3.44Å; A229-N255 PolarHBondContact N-OD1 3.21Å
230	L	86.8	Confident	91.5	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	26%	0.256	C	S	.	.	S	Bend	trans	-85.6	136.4	175.5	-64.4	179.7	0	0	0	110.7	N135 S136 F137 I142 F143 S228 A234	N135-L230 VanDerWaalsContact C-CD1 3.43Å; N135-L230 WeakPolarHBondContact O-CD1 3.21Å; S136-L230 VanDerWaalsContact C-CD1 3.48Å; S136-L230 VanDerWaalsContact O-CD1 3.28Å; S136-L230 WeakPolarHBondContact O-CD1 3.34Å; F137-L230 HydrophobicContact CB-CD1 4.35Å; F137-L230 HydrophobicContact CB-CD2 4.38Å; F137-L230 HydrophobicContact CD1-CD1 4.29Å; F137-L230 HydrophobicContact CD1-CD2 4.02Å; I142-L230 HydrophobicContact CD1-CD2 3.79Å; F143-L230 HydrophobicContact CE1-CD2 4.34Å; F143-L230 HydrophobicContact CZ-CD2 4.04Å; S228-L230 VanDerWaalsContact C-N 3.26Å; S228-L230 PolarHBondContact O-N 3.19Å; S228-L230 PolarHBondContact OG-O 3.42Å; L230-A234 HydrophobicContact CB-CB 4.47Å
231	S	87.7	Confident	91.3	Very high	56 Å²	56	51.1 Å²	51.1	39%	0.392	26%	0.26	S	S	.	.			trans	-72.3	164.2	177.1	83.2	0	0	0	0	111.9	E233 A234 K235	S231-E233 VanDerWaalsContact C-N 3.25Å; S231-E233 WeakPolarHBondContact CB-OE2 3.27Å; S231-E233 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact OG-N 3.1Å; S231-E233 PolarHBondContact OG-OE2 3.16Å; S231-A234 PolarHBondContact O-N 3.08Å; S231-A234 PolarHBondContact OG-N 3.03Å; S231-K235 PolarHBondContact O-N 2.64Å
232	T	88.8	Confident	91.2	Very high	87 Å²	87	51.6 Å²	51.6	53%	0.534	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-37.5	176.9	-54.4	0	0	0	0	111.4	A234 K235 E236	T232-A234 VanDerWaalsContact C-N 3.34Å; T232-A234 PolarHBondContact O-N 3.29Å; T232-K235 WeakPolarHBondContact O-CB 3.18Å; T232-K235 PolarHBondContact O-N 3.04Å; T232-K235 VanDerWaalsContact O-N 3.13Å; T232-E236 WeakPolarHBondContact O-CG 3.33Å; T232-E236 PolarHBondContact O-N 2.91Å
233	E	89.7	Confident	91	Very high	123 Å²	123	55.9 Å²	55.9	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-42.9	178.6	-57.2	72.7	-156.8	0	0	110.8	S231 K235 E236 E237	S231-E233 VanDerWaalsContact C-N 3.25Å; S231-E233 WeakPolarHBondContact CB-OE2 3.27Å; S231-E233 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact OG-N 3.1Å; S231-E233 PolarHBondContact OG-OE2 3.16Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.25Å; E233-E236 PolarHBondContact O-N 3.38Å; E233-E237 WeakPolarHBondContact O-CG 3.4Å; E233-E237 PolarHBondContact O-N 3.07Å
234	A	90.8	Very high	91	Very high	7 Å²	7	63.1 Å²	63.1	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-37.4	175.9	0	0	0	0	0	112.2	I142 L230 S231 T232 M238	I142-A234 HydrophobicContact CD1-CB 4.06Å; I142-A234 HydrophobicContact CG2-CB 4.49Å; L230-A234 HydrophobicContact CB-CB 4.47Å; S231-A234 PolarHBondContact O-N 3.08Å; S231-A234 PolarHBondContact OG-N 3.03Å; T232-A234 VanDerWaalsContact C-N 3.34Å; T232-A234 PolarHBondContact O-N 3.29Å; A234-M238 WeakPolarHBondContact O-CG 3.21Å; A234-M238 PolarHBondContact O-N 2.99Å
235	K	92.3	Very high	91.2	Very high	22 Å²	22	63.7 Å²	63.7	10%	0.096	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-41	174.6	-64.6	176.4	-177.3	173.3	0	111.6	D223 V224 S228 S231 T232 E233 E237 M238 Y239	D223-K235 HydrophobicContact CB-CD 4.29Å; V224-K235 PolarHBondContact O-NZ 2.98Å; S228-K235 WeakPolarHBondContact OG-CE 3.38Å; S228-K235 PolarHBondContact OG-NZ 3.18Å; S231-K235 PolarHBondContact O-N 2.64Å; T232-K235 WeakPolarHBondContact O-CB 3.18Å; T232-K235 PolarHBondContact O-N 3.04Å; T232-K235 VanDerWaalsContact O-N 3.13Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.25Å; K235-E237 PolarHBondContact O-N 2.96Å; K235-M238 WeakPolarHBondContact O-CB 3.3Å; K235-M238 PolarHBondContact O-N 3Å; K235-Y239 HydrophobicContact CB-CE2 4.47Å; K235-Y239 WeakPolarHBondContact O-CD2 3.29Å; K235-Y239 PolarHBondContact O-N 3.05Å; K235-Y239 VanDerWaalsContact O-N 3.15Å
236	E	92.8	Very high	91.6	Very high	97 Å²	97	62.6 Å²	62.6	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176.5	-71.9	-178	179	0	0	112.4	T232 E233 M238 Y239 K240	T232-E236 WeakPolarHBondContact O-CG 3.33Å; T232-E236 PolarHBondContact O-N 2.91Å; E233-E236 PolarHBondContact O-N 3.38Å; E236-M238 VanDerWaalsContact C-N 3.31Å; E236-M238 PolarHBondContact O-N 2.85Å; E236-Y239 WeakPolarHBondContact O-CB 3.49Å; E236-Y239 PolarHBondContact O-N 2.97Å; E236-Y239 VanDerWaalsContact O-N 3.11Å; E236-K240 WeakPolarHBondContact O-CG 3.43Å; E236-K240 PolarHBondContact O-N 3.12Å
237	E	93	Very high	91.9	Very high	92 Å²	92	67.1 Å²	67.1	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-37.4	174.7	-69	-50.8	125.3	0	0	112.2	E233 K235 Y239 K240 L241	E233-E237 WeakPolarHBondContact O-CG 3.4Å; E233-E237 PolarHBondContact O-N 3.07Å; K235-E237 PolarHBondContact O-N 2.96Å; E237-Y239 VanDerWaalsContact C-N 3.32Å; E237-Y239 PolarHBondContact O-N 3.05Å; E237-K240 PolarHBondContact O-N 2.84Å; E237-K240 IonicContact OE1-NZ 2.67Å; E237-K240 PolarHBondContact OE1-NZ 3.46Å; E237-L241 WeakPolarHBondContact O-CB 3.42Å; E237-L241 PolarHBondContact O-N 3.08Å
238	M	94.6	Very high	92.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-42.1	171.6	-71.8	-63.4	-64.3	0	0	112	L133 S138 I221 A234 K235 E236 L241 Y242	L133-M238 HydrophobicContact CB-CE 4.36Å; L133-M238 HydrophobicContact CD1-CE 3.47Å; L133-M238 VanDerWaalsContact CD1-CE 3.47Å; S138-M238 WeakPolarHBondContact CB-SD 3.45Å; S138-M238 PolarHBondContact N-SD 3.03Å; I221-M238 HydrophobicContact CD1-CB 4.21Å; A234-M238 WeakPolarHBondContact O-CG 3.21Å; A234-M238 PolarHBondContact O-N 2.99Å; K235-M238 WeakPolarHBondContact O-CB 3.3Å; K235-M238 PolarHBondContact O-N 3Å; E236-M238 VanDerWaalsContact C-N 3.31Å; E236-M238 PolarHBondContact O-N 2.85Å; M238-L241 PolarHBondContact O-N 3.1Å; M238-Y242 HydrophobicContact CE-CD2 4.05Å; M238-Y242 HydrophobicContact CE-CE2 3.66Å; M238-Y242 WeakPolarHBondContact O-CD2 3.48Å; M238-Y242 PolarHBondContact O-N 3.32Å
239	Y	95	Very high	92.8	Very high	40 Å²	40	62.7 Å²	62.7	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-33.4	178.3	-58.5	-27.9	0	0	0	113	I221 D223 K235 E236 E237 Y242 H249	I221-Y239 HydrophobicContact CB-CE1 4.27Å; I221-Y239 HydrophobicContact CD1-CD1 3.75Å; I221-Y239 HydrophobicContact CD1-CE1 4.18Å; I221-Y239 HydrophobicContact CG2-CD1 4.43Å; I221-Y239 HydrophobicContact CG2-CE1 3.78Å; D223-Y239 WeakPolarHBondContact OD2-CE1 3.45Å; D223-Y239 VanDerWaalsContact OD2-CZ 3.29Å; D223-Y239 PolarHBondContact OD2-OH 3.41Å; K235-Y239 HydrophobicContact CB-CE2 4.47Å; K235-Y239 WeakPolarHBondContact O-CD2 3.29Å; K235-Y239 PolarHBondContact O-N 3.05Å; K235-Y239 VanDerWaalsContact O-N 3.15Å; E236-Y239 WeakPolarHBondContact O-CB 3.49Å; E236-Y239 PolarHBondContact O-N 2.97Å; E236-Y239 VanDerWaalsContact O-N 3.11Å; E237-Y239 VanDerWaalsContact C-N 3.32Å; E237-Y239 PolarHBondContact O-N 3.05Å; Y239-Y242 CarbonylContact O-C 3.57Å; Y239-H249 AromaticContact CZ-NE2 3.76Å; Y239-H249 PolarHBondContact OH-NE2 2.98Å
240	K	94.4	Very high	93.4	Very high	130 Å²	130	60.3 Å²	60.3	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-68.5	-39.1	173.5	-69.3	171.1	-168.5	167.6	0	111.3	E236 E237	E236-K240 WeakPolarHBondContact O-CG 3.43Å; E236-K240 PolarHBondContact O-N 3.12Å; E237-K240 PolarHBondContact O-N 2.84Å; E237-K240 IonicContact OE1-NZ 2.67Å; E237-K240 PolarHBondContact OE1-NZ 3.46Å
241	L	94.9	Very high	93.7	Very high	20 Å²	20	67.9 Å²	67.9	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-36.4	179.9	-163.9	136	0	0	0	112.4	Y208 V209 P211 I214 E237 M238 P243	Y208-L241 HydrophobicContact CE2-CD1 3.76Å; Y208-L241 WeakPolarHBondContact OH-CD1 3.26Å; V209-L241 HydrophobicContact CG1-CD2 4.43Å; P211-L241 HydrophobicContact CB-CG 4.1Å; P211-L241 HydrophobicContact CG-CD1 3.75Å; P211-L241 HydrophobicContact CG-CG 3.8Å; I214-L241 HydrophobicContact CD1-CD2 4.27Å; E237-L241 WeakPolarHBondContact O-CB 3.42Å; E237-L241 PolarHBondContact O-N 3.08Å; M238-L241 PolarHBondContact O-N 3.1Å; L241-P243 WeakPolarHBondContact O-CD 3.35Å
242	Y	96.1	Very high	94	Very high	13 Å²	13	67.3 Å²	67.3	5%	0.051	32%	0.323	C	S	.	.			trans	-118.9	75.1	176	-54.3	-80.2	0	0	0	112.2	Q116 L133 I214 V219 I221 M238 Y239 N244 A245	Q116-Y242 VanDerWaalsContact CD-OH 3.27Å; Q116-Y242 VanDerWaalsContact CG-OH 3.24Å; Q116-Y242 WeakPolarHBondContact CG-OH 3.15Å; Q116-Y242 PolarHBondContact OE1-OH 3.37Å; L133-Y242 HydrophobicContact CD1-CD2 4.37Å; L133-Y242 HydrophobicContact CD1-CE2 3.69Å; I214-Y242 HydrophobicContact CD1-CE1 3.62Å; I214-Y242 WeakPolarHBondContact CD1-OH 3.47Å; I214-Y242 HydrophobicContact CG1-CE1 4.25Å; V219-Y242 HydrophobicContact CB-CD1 4.12Å; V219-Y242 HydrophobicContact CB-CG 4.42Å; V219-Y242 HydrophobicContact CG1-CD1 4.27Å; V219-Y242 HydrophobicContact CG1-CD2 4.43Å; V219-Y242 HydrophobicContact CG1-CG 4.22Å; V219-Y242 HydrophobicContact CG2-CD1 3.61Å; V219-Y242 HydrophobicContact CG2-CE1 3.65Å; V219-Y242 HydrophobicContact CG2-CG 4.36Å; I221-Y242 HydrophobicContact CD1-CD2 4.08Å; M238-Y242 HydrophobicContact CE-CD2 4.05Å; M238-Y242 HydrophobicContact CE-CE2 3.66Å; M238-Y242 WeakPolarHBondContact O-CD2 3.48Å; M238-Y242 PolarHBondContact O-N 3.32Å; Y239-Y242 CarbonylContact O-C 3.57Å; Y242-N244 PolarHBondContact O-N 3.07Å; Y242-N244 VanDerWaalsContact O-N 3.16Å; Y242-A245 WeakPolarHBondContact O-CB 3.26Å; Y242-A245 PolarHBondContact O-N 3.43Å; Y242-A245 VanDerWaalsContact O-N 3.1Å
243	P	94.5	Very high	94.2	Very high	90 Å²	90	63.3 Å²	63.3	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.3	-177.5	24.6	-34	0	0	0	112.9	L241	L241-P243 WeakPolarHBondContact O-CD 3.35Å
244	N	94.1	Very high	94.4	Very high	154 Å²	154	57.5 Å²	57.5	82%	0.824	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	4.4	-178.7	-59.6	-26.8	0	0	0	113.5	Y242	Y242-N244 PolarHBondContact O-N 3.07Å; Y242-N244 VanDerWaalsContact O-N 3.16Å
245	A	96.8	Very high	94.5	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	28%	0.275	C	S	.	.			trans	-66.6	139.8	178.5	0	0	0	0	0	111.2	V219 I221 Y242	V219-A245 HydrophobicContact CB-CB 3.97Å; V219-A245 HydrophobicContact CG1-CB 4.06Å; V219-A245 WeakPolarHBondContact O-CA 3.49Å; I221-A245 HydrophobicContact CD1-CB 3.84Å; I221-A245 HydrophobicContact CG1-CB 3.95Å; Y242-A245 WeakPolarHBondContact O-CB 3.26Å; Y242-A245 PolarHBondContact O-N 3.43Å; Y242-A245 VanDerWaalsContact O-N 3.1Å
246	R	97.3	Very high	94.7	Very high	117 Å²	117	57.7 Å²	57.7	44%	0.442	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.1	165.4	-60.1	-179.7	-177.6	175.7	0.8	108.6	V219 T220 I221 I271	V219-R246 PolarHBondContact O-N 3.11Å; T220-R246 CarbonylContact C-O 3.56Å; T220-R246 VanDerWaalsContact CA-O 3.27Å; T220-R246 WeakPolarHBondContact CA-O 3.17Å; T220-R246 HydrophobicContact CG2-CB 4.37Å; I221-R246 PolarHBondContact N-O 3.45Å; R246-I271 PolarHBondContact NH1-O 2.95Å
247	R	96	Very high	94.9	Very high	133 Å²	133	53.1 Å²	53.1	50%	0.502	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.7	-180	-60.2	-177.5	-173.1	178.8	0.6	109.6
248	A	96.1	Very high	95.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	90.9	176.8	0	0	0	0	0	108.5	T220 I221 M222 D223 Y268	T220-A248 HydrophobicContact CG2-CB 3.88Å; I221-A248 PolarHBondContact O-N 2.84Å; M222-A248 VanDerWaalsContact CA-O 3.25Å; M222-A248 WeakPolarHBondContact CA-O 3.43Å; M222-A248 HydrophobicContact CB-CB 4.17Å; M222-A248 HydrophobicContact CE-CB 4.42Å; M222-A248 HydrophobicContact CG-CB 4.27Å; D223-A248 PolarHBondContact N-O 3.34Å; A248-Y268 HydrophobicContact CB-CD1 3.47Å; A248-Y268 VanDerWaalsContact CB-CD1 3.47Å; A248-Y268 HydrophobicContact CB-CD2 3.88Å; A248-Y268 HydrophobicContact CB-CE1 3.76Å; A248-Y268 HydrophobicContact CB-CE2 4.14Å; A248-Y268 HydrophobicContact CB-CG 3.55Å
249	H	93.6	Very high	95.3	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.269	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.9	-177.7	-66.5	145.7	0	0	0	111.6	D223 F225 Y239 Y268	D223-H249 WeakPolarHBondContact O-CA 3.36Å; F225-H249 HydrophobicContact CD1-CB 4.49Å; F225-H249 HydrophobicContact CE1-CB 3.69Å; F225-H249 AromaticContact CE1-CD2 3.65Å; F225-H249 AromaticContact CE1-CG 3.46Å; F225-H249 VanDerWaalsContact CE1-CG 3.46Å; F225-H249 AromaticContact CE1-ND1 3.76Å; F225-H249 HydrophobicContact CE2-CB 3.97Å; F225-H249 HydrophobicContact CZ-CB 3.39Å; F225-H249 AromaticContact CZ-CG 3.41Å; F225-H249 VanDerWaalsContact CZ-CG 3.41Å; F225-H249 AromaticContact CZ-ND1 3.46Å; F225-H249 WeakPolarHBondContact CZ-ND1 3.19Å; Y239-H249 AromaticContact CZ-NE2 3.76Å; Y239-H249 PolarHBondContact OH-NE2 2.98Å; H249-Y268 PolarHBondContact O-OH 3.11Å
250	L	95.4	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.1	172.6	-71.4	84.7	0	0	0	109.4	M222 D223 V224 F225 T252 P257 R261 E264 V265 Y268	M222-L250 HydrophobicContact CG-CD1 3.45Å; M222-L250 VanDerWaalsContact CG-CD1 3.45Å; M222-L250 HydrophobicContact SD-CD1 3.99Å; D223-L250 PolarHBondContact O-N 3.27Å; V224-L250 CarbonylContact C-O 3.57Å; V224-L250 WeakPolarHBondContact CA-O 3.37Å; V224-L250 HydrophobicContact CG1-CB 4.16Å; F225-L250 PolarHBondContact N-O 3.41Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.04Å; L250-P257 HydrophobicContact CD2-CB 3.98Å; L250-R261 HydrophobicContact CD2-CB 3.75Å; L250-R261 HydrophobicContact CD2-CG 4.33Å; L250-E264 HydrophobicContact CD2-CB 4.03Å; L250-V265 HydrophobicContact CD2-CG2 3.97Å; L250-Y268 HydrophobicContact CD1-CD2 4.16Å; L250-Y268 HydrophobicContact CD1-CE2 4.05Å; L250-Y268 HydrophobicContact CG-CE2 4.32Å
251	K	93.8	Very high	95.5	Very high	172 Å²	172	42.5 Å²	42.5	75%	0.748	20%	0.204	S	C	*	.	S	Bend	trans	-63.2	-36.6	-179.6	-174.4	179.1	177.2	-179.4	0	112.3
252	T	93.6	Very high	95.6	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	21%	0.207	S	C	.	.	S	Bend	trans	-145.6	164.8	-179.6	55.9	0	0	0	0	110.1	D226 L250 R261	D226-T252 HydrophobicContact CB-CG2 4.45Å; D226-T252 VanDerWaalsContact CG-CA 3.47Å; D226-T252 VanDerWaalsContact OD2-CA 3.27Å; D226-T252 WeakPolarHBondContact OD2-CA 3.5Å; D226-T252 WeakPolarHBondContact OD2-CB 3.4Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 3.04Å; T252-R261 WeakPolarHBondContact O-CG 3.28Å; T252-R261 PolarHBondContact OG1-NE 2.87Å; T252-R261 PolarHBondContact OG1-NH2 3.17Å
253	G	93.1	Very high	95.7	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.021	23%	0.234	C	C	.	.			trans	149.4	-9.3	172.4	0	0	0	0	0	114	D226 N255 F256 C260	D226-G253 PolarHBondContact OD1-N 3.02Å; D226-G253 PolarHBondContact OD2-N 3.36Å; G253-N255 PolarHBondContact O-N 2.93Å; G253-F256 PolarHBondContact O-N 2.84Å; G253-C260 VanDerWaalsContact CA-SG 3.57Å; G253-C260 PolarHBondContact O-SG 3.4Å
254	G	93.6	Very high	95.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-135.8	179.7	0	0	0	0	0	112.4	N135 V224 D226 Q227 F256	N135-G254 PolarHBondContact ND2-O 3.33Å; V224-G254 WeakPolarHBondContact CG2-O 3.25Å; D226-G254 PolarHBondContact OD1-N 2.83Å; D226-G254 PolarHBondContact OD2-N 3.23Å; Q227-G254 WeakPolarHBondContact O-CA 3.46Å; G254-F256 VanDerWaalsContact C-N 3.35Å; G254-F256 PolarHBondContact O-N 3.05Å
255	N	93.2	Very high	96.1	Very high	24 Å²	24	37.9 Å²	37.9	13%	0.128	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.7	-175.8	-67	-20.1	0	0	0	114.4	N135 N167 S228 A229 G253 P257	N135-N255 PolarHBondContact ND2-O 3.12Å; N167-N255 PolarHBondContact O-ND2 3.23Å; S228-N255 WeakPolarHBondContact CA-OD1 3.28Å; A229-N255 WeakPolarHBondContact CB-OD1 3.44Å; A229-N255 PolarHBondContact N-OD1 3.21Å; G253-N255 PolarHBondContact O-N 2.93Å; N255-P257 WeakPolarHBondContact O-CD 3.4Å
256	F	96.6	Very high	96.1	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.044	18%	0.182	C	C	.	.			trans	-127.4	51.4	-166.5	-45.7	-54.5	0	0	0	113	F168 A180 I181 M184 G253 G254 Y258 L259 C260	F168-F256 HydrophobicContact CD1-CZ 4.07Å; F168-F256 HydrophobicContact CD2-CE2 4.13Å; F168-F256 HydrophobicContact CD2-CZ 4.33Å; F168-F256 HydrophobicContact CE1-CE2 4.36Å; F168-F256 AromaticContact CE1-CZ 3.63Å; F168-F256 HydrophobicContact CE1-CZ 3.63Å; F168-F256 AromaticContact CE2-CE2 3.9Å; F168-F256 HydrophobicContact CE2-CE2 3.9Å; F168-F256 AromaticContact CE2-CZ 3.89Å; F168-F256 HydrophobicContact CE2-CZ 3.89Å; F168-F256 HydrophobicContact CG-CE2 4.43Å; F168-F256 HydrophobicContact CG-CZ 4.41Å; F168-F256 HydrophobicContact CZ-CE2 4.04Å; F168-F256 AromaticContact CZ-CZ 3.53Å; F168-F256 HydrophobicContact CZ-CZ 3.53Å; A180-F256 HydrophobicContact CB-CB 4.45Å; I181-F256 HydrophobicContact CG1-CD2 4.23Å; I181-F256 HydrophobicContact CG1-CE2 4.23Å; M184-F256 HydrophobicContact CB-CD2 4.15Å; M184-F256 HydrophobicContact CB-CE1 4.46Å; M184-F256 HydrophobicContact CB-CE2 3.79Å; M184-F256 HydrophobicContact CB-CZ 3.97Å; M184-F256 HydrophobicContact CE-CD1 4.14Å; M184-F256 HydrophobicContact CE-CE1 3.83Å; M184-F256 HydrophobicContact CE-CZ 4.32Å; M184-F256 HydrophobicContact CG-CB 4.48Å; M184-F256 HydrophobicContact CG-CD1 3.92Å; M184-F256 HydrophobicContact CG-CD2 3.68Å; M184-F256 HydrophobicContact CG-CE1 4.02Å; M184-F256 HydrophobicContact CG-CE2 3.78Å; M184-F256 HydrophobicContact CG-CG 3.75Å; M184-F256 HydrophobicContact CG-CZ 3.96Å; M184-F256 HydrophobicContact SD-CD1 4.43Å; G253-F256 PolarHBondContact O-N 2.84Å; G254-F256 VanDerWaalsContact C-N 3.35Å; G254-F256 PolarHBondContact O-N 3.05Å; F256-Y258 HydrophobicContact CB-CE1 4.46Å; F256-Y258 HydrophobicContact CD1-CE1 4.36Å; F256-Y258 AromaticContact CD1-CZ 3.96Å; F256-Y258 VanDerWaalsContact CD1-OH 3.32Å; F256-Y258 WeakPolarHBondContact CD1-OH 3.44Å; F256-Y258 PolarHBondContact O-N 3.46Å; F256-Y258 VanDerWaalsContact O-N 3.12Å; F256-L259 HydrophobicContact CB-CB 4.46Å; F256-L259 HydrophobicContact CB-CD1 4.25Å; F256-L259 PolarHBondContact O-N 3.35Å; F256-C260 PolarHBondContact O-N 3.21Å; F256-C260 PolarHBondContact O-SG 3.48Å; F256-C260 VanDerWaalsContact O-SG 3.33Å
257	P	97.3	Very high	96.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-27.9	-177.4	26	-35.2	0	0	0	112.5	C134 N135 V224 L250 N255 L259 R261 S262 V265	C134-P257 VanDerWaalsContact SG-CG 3.55Å; N135-P257 WeakPolarHBondContact ND2-CD 3.31Å; V224-P257 HydrophobicContact CG1-CB 3.96Å; V224-P257 HydrophobicContact CG1-CG 4.04Å; L250-P257 HydrophobicContact CD2-CB 3.98Å; N255-P257 WeakPolarHBondContact O-CD 3.4Å; P257-L259 PolarHBondContact O-N 2.82Å; P257-R261 CarbonylContact O-C 3.34Å; P257-R261 VanDerWaalsContact O-CA 3.26Å; P257-R261 WeakPolarHBondContact O-CA 3.39Å; P257-R261 WeakPolarHBondContact O-CB 3.43Å; P257-R261 PolarHBondContact O-N 3.18Å; P257-S262 PolarHBondContact O-N 3.22Å; P257-V265 HydrophobicContact CB-CG2 4.02Å; P257-V265 WeakPolarHBondContact O-CG2 3.19Å
258	Y	97.9	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-20.1	175.5	53.3	-94	0	0	0	113.6	P51 V58 F59 Q62 A108 F256 S262	P51-Y258 WeakPolarHBondContact CG-OH 3.27Å; V58-Y258 HydrophobicContact CB-CE2 4.01Å; V58-Y258 HydrophobicContact CG2-CE2 3.84Å; F59-Y258 AromaticContact CD1-CD2 3.9Å; F59-Y258 HydrophobicContact CD1-CD2 3.9Å; F59-Y258 HydrophobicContact CD1-CE2 4.39Å; F59-Y258 HydrophobicContact CD1-CG 4.19Å; F59-Y258 HydrophobicContact CE1-CD1 4.22Å; F59-Y258 AromaticContact CE1-CD2 3.83Å; F59-Y258 HydrophobicContact CE1-CD2 3.83Å; F59-Y258 HydrophobicContact CE1-CE1 4.43Å; F59-Y258 HydrophobicContact CE1-CE2 4.06Å; F59-Y258 AromaticContact CE1-CG 3.92Å; F59-Y258 HydrophobicContact CE1-CG 3.92Å; Q62-Y258 PolarHBondContact NE2-O 2.94Å; Q62-Y258 PolarHBondContact OE1-O 3.01Å; A108-Y258 HydrophobicContact CB-CD1 4.24Å; A108-Y258 HydrophobicContact CB-CE1 3.68Å; F256-Y258 HydrophobicContact CB-CE1 4.46Å; F256-Y258 HydrophobicContact CD1-CE1 4.36Å; F256-Y258 AromaticContact CD1-CZ 3.96Å; F256-Y258 VanDerWaalsContact CD1-OH 3.32Å; F256-Y258 WeakPolarHBondContact CD1-OH 3.44Å; F256-Y258 PolarHBondContact O-N 3.46Å; F256-Y258 VanDerWaalsContact O-N 3.12Å; Y258-S262 WeakPolarHBondContact O-CB 3.49Å
259	L	97.6	Very high	96.4	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-95.7	-49.8	173.4	-74.1	170.1	0	0	0	112.5	I4 V58 F60 R61 A180 F183 M184 F256 P257	I4-L259 HydrophobicContact CD1-CD2 4.39Å; V58-L259 WeakPolarHBondContact O-CD2 3.48Å; F60-L259 HydrophobicContact CD1-CD2 4.27Å; F60-L259 HydrophobicContact CE1-CD2 3.81Å; R61-L259 WeakPolarHBondContact CD-O 3.45Å; R61-L259 PolarHBondContact NE-O 3.02Å; A180-L259 HydrophobicContact CB-CB 3.63Å; A180-L259 HydrophobicContact CB-CD1 4.23Å; F183-L259 HydrophobicContact CD1-CD1 3.89Å; F183-L259 HydrophobicContact CD1-CD2 4.14Å; F183-L259 HydrophobicContact CE1-CD2 4.35Å; M184-L259 HydrophobicContact CG-CD1 3.65Å; M184-L259 HydrophobicContact SD-CD1 3.72Å; F256-L259 HydrophobicContact CB-CB 4.46Å; F256-L259 HydrophobicContact CB-CD1 4.25Å; F256-L259 PolarHBondContact O-N 3.35Å; P257-L259 PolarHBondContact O-N 2.82Å
260	C	96.5	Very high	96.6	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.054	17%	0.169	C	C	.	.	H	α-helix	trans	-91.3	-16.6	-170.4	63.3	0	0	0	0	114.4	M176 M177 A180 G253 F256	M176-C260 HydrophobicContact CB-CB 4.2Å; M176-C260 VanDerWaalsContact O-CB 3.26Å; M176-C260 WeakPolarHBondContact O-CB 3.33Å; M177-C260 HydrophobicContact CG-CB 4.04Å; A180-C260 HydrophobicContact CB-CB 3.87Å; G253-C260 VanDerWaalsContact CA-SG 3.57Å; G253-C260 PolarHBondContact O-SG 3.4Å; F256-C260 PolarHBondContact O-N 3.21Å; F256-C260 PolarHBondContact O-SG 3.48Å; F256-C260 VanDerWaalsContact O-SG 3.33Å
261	R	97.6	Very high	96.6	Very high	27 Å²	27	35.8 Å²	35.8	10%	0.102	19%	0.186	C	C	.	.	S	Bend	trans	-131	36.3	176.1	-57.8	-61.6	179.5	-96.2	-3.9	110.7	D174 L250 T252 P257 A263 E264 V265	D174-R261 IonicContact OD1-CZ 3.97Å; D174-R261 IonicContact OD1-NH1 2.71Å; D174-R261 PolarHBondContact OD1-NH1 3.37Å; D174-R261 IonicContact OD1-NH2 3.6Å; D174-R261 IonicContact OD2-CZ 3.62Å; D174-R261 IonicContact OD2-NH1 2.88Å; D174-R261 IonicContact OD2-NH2 2.69Å; D174-R261 PolarHBondContact OD2-NH2 2.88Å; L250-R261 HydrophobicContact CD2-CB 3.75Å; L250-R261 HydrophobicContact CD2-CG 4.33Å; T252-R261 WeakPolarHBondContact O-CG 3.28Å; T252-R261 PolarHBondContact OG1-NE 2.87Å; T252-R261 PolarHBondContact OG1-NH2 3.17Å; P257-R261 CarbonylContact O-C 3.34Å; P257-R261 VanDerWaalsContact O-CA 3.26Å; P257-R261 WeakPolarHBondContact O-CA 3.39Å; P257-R261 WeakPolarHBondContact O-CB 3.43Å; P257-R261 PolarHBondContact O-N 3.18Å; R261-A263 PolarHBondContact O-N 2.89Å; R261-A263 VanDerWaalsContact O-N 3.11Å; R261-E264 PolarHBondContact O-N 2.88Å; R261-V265 PolarHBondContact O-N 2.98Å
262	S	97.7	Very high	96.8	Very high	24 Å²	24	27.7 Å²	27.7	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-34.7	-170.2	65.6	0	0	0	0	113.6	R61 P257 Y258 V265 N266	R61-S262 VanDerWaalsContact CD-CB 3.47Å; R61-S262 VanDerWaalsContact CD-OG 3.3Å; R61-S262 WeakPolarHBondContact CD-OG 3.35Å; P257-S262 PolarHBondContact O-N 3.22Å; Y258-S262 WeakPolarHBondContact O-CB 3.49Å; S262-V265 PolarHBondContact O-N 3.43Å; S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.37Å; S262-N266 PolarHBondContact O-N 3.22Å; S262-N266 PolarHBondContact O-ND2 3.12Å; S262-N266 PolarHBondContact O-OD1 3.49Å
263	A	97.5	Very high	97	Very high	75 Å²	75	25.6 Å²	25.6	62%	0.62	14%	0.138	S	C	*	.	H	α-helix	trans	-62.9	-46.2	177.9	0	0	0	0	0	112.2	R261 N266 L267	R261-A263 PolarHBondContact O-N 2.89Å; R261-A263 VanDerWaalsContact O-N 3.11Å; A263-N266 PolarHBondContact O-N 2.81Å; A263-L267 WeakPolarHBondContact O-CB 3.49Å; A263-L267 PolarHBondContact O-N 3.23Å
264	E	97.8	Very high	97.1	Very high	82 Å²	82	28.2 Å²	28.2	38%	0.383	15%	0.151	S	C	.	.	H	α-helix	trans	-65.4	-44.2	176.2	-67.2	177.1	-115.2	0	0	111	L250 R261 N266 L267 Y268	L250-E264 HydrophobicContact CD2-CB 4.03Å; R261-E264 PolarHBondContact O-N 2.88Å; E264-N266 VanDerWaalsContact C-N 3.35Å; E264-N266 PolarHBondContact O-N 3.29Å; E264-L267 WeakPolarHBondContact O-CB 3.39Å; E264-L267 PolarHBondContact O-N 3.44Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 PolarHBondContact O-N 3.3Å
265	V	98.5	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-47.4	175.9	172.9	0	0	0	0	111.1	F106 M222 L250 P257 R261 S262 L267 Y268 V269	F106-V265 HydrophobicContact CE2-CG1 4Å; F106-V265 HydrophobicContact CZ-CG1 4.1Å; M222-V265 HydrophobicContact CE-CB 4.5Å; M222-V265 HydrophobicContact CE-CG1 4.13Å; M222-V265 HydrophobicContact SD-CB 4.19Å; M222-V265 HydrophobicContact SD-CG1 3.89Å; M222-V265 HydrophobicContact SD-CG2 3.75Å; L250-V265 HydrophobicContact CD2-CG2 3.97Å; P257-V265 HydrophobicContact CB-CG2 4.02Å; P257-V265 WeakPolarHBondContact O-CG2 3.19Å; R261-V265 PolarHBondContact O-N 2.98Å; S262-V265 PolarHBondContact O-N 3.43Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.33Å; V265-Y268 PolarHBondContact O-N 3.18Å; V265-V269 HydrophobicContact CG1-CG2 4.45Å; V265-V269 VanDerWaalsContact O-CG2 3.29Å; V265-V269 WeakPolarHBondContact O-CG2 3.26Å; V265-V269 PolarHBondContact O-N 3.09Å
266	N	98.5	Very high	97.3	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-179.7	-65.8	-9.4	0	0	0	111.6	R61 Q62 A65 W69 S262 A263 E264 V269 Q270	R61-N266 PolarHBondContact O-ND2 2.99Å; Q62-N266 VanDerWaalsContact CG-OD1 3.27Å; Q62-N266 WeakPolarHBondContact CG-OD1 3.29Å; Q62-N266 PolarHBondContact NE2-OD1 3.11Å; A65-N266 WeakPolarHBondContact CB-ND2 3.38Å; W69-N266 HydrophobicContact CH2-CB 3.76Å; W69-N266 HydrophobicContact CZ3-CB 3.93Å; S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.37Å; S262-N266 PolarHBondContact O-N 3.22Å; S262-N266 PolarHBondContact O-ND2 3.12Å; S262-N266 PolarHBondContact O-OD1 3.49Å; A263-N266 PolarHBondContact O-N 2.81Å; E264-N266 VanDerWaalsContact C-N 3.35Å; E264-N266 PolarHBondContact O-N 3.29Å; N266-V269 PolarHBondContact O-N 3.02Å; N266-Q270 PolarHBondContact O-N 3.08Å
267	L	98	Very high	97.1	Very high	87 Å²	87	29.4 Å²	29.4	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-47.7	174.4	177.7	64.3	0	0	0	111.3	A263 E264 V265 V269 Q270 I271	A263-L267 WeakPolarHBondContact O-CB 3.49Å; A263-L267 PolarHBondContact O-N 3.23Å; E264-L267 WeakPolarHBondContact O-CB 3.39Å; E264-L267 PolarHBondContact O-N 3.44Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.33Å; L267-V269 VanDerWaalsContact C-N 3.32Å; L267-V269 PolarHBondContact O-N 3.22Å; L267-Q270 WeakPolarHBondContact O-CB 3.41Å; L267-Q270 PolarHBondContact O-N 2.75Å; L267-I271 HydrophobicContact CD1-CD1 4.12Å; L267-I271 HydrophobicContact CD1-CG1 4.41Å; L267-I271 HydrophobicContact CG-CD1 3.9Å; L267-I271 WeakPolarHBondContact O-CG1 3.41Å; L267-I271 PolarHBondContact O-N 2.95Å
268	Y	98.4	Very high	96.8	Very high	67 Å²	67	32.1 Å²	32.1	26%	0.263	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-36.4	177.2	-77.3	-58.4	0	0	0	112.9	M222 A248 H249 L250 E264 V265 I271 H272	M222-Y268 VanDerWaalsContact CE-CB 3.45Å; M222-Y268 HydrophobicContact CE-CD2 4.21Å; M222-Y268 HydrophobicContact CE-CG 4.19Å; A248-Y268 HydrophobicContact CB-CD1 3.47Å; A248-Y268 VanDerWaalsContact CB-CD1 3.47Å; A248-Y268 HydrophobicContact CB-CD2 3.88Å; A248-Y268 HydrophobicContact CB-CE1 3.76Å; A248-Y268 HydrophobicContact CB-CE2 4.14Å; A248-Y268 HydrophobicContact CB-CG 3.55Å; H249-Y268 PolarHBondContact O-OH 3.11Å; L250-Y268 HydrophobicContact CD1-CD2 4.16Å; L250-Y268 HydrophobicContact CD1-CE2 4.05Å; L250-Y268 HydrophobicContact CG-CE2 4.32Å; E264-Y268 WeakPolarHBondContact O-CD2 3.47Å; E264-Y268 PolarHBondContact O-N 3.3Å; V265-Y268 PolarHBondContact O-N 3.18Å; Y268-I271 HydrophobicContact CD1-CD1 4.48Å; Y268-I271 PolarHBondContact O-N 2.96Å; Y268-H272 WeakPolarHBondContact O-CB 3.33Å; Y268-H272 PolarHBondContact O-N 3.44Å
269	V	98.6	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-46.5	171.8	169	0	0	0	0	110.6	L46 L66 F106 I132 V265 N266 L267 H272 L273	L46-V269 HydrophobicContact CD2-CG1 3.4Å; L66-V269 HydrophobicContact CD1-CG1 3.91Å; L66-V269 HydrophobicContact CD2-CG1 4.04Å; F106-V269 HydrophobicContact CD2-CG2 3.86Å; F106-V269 HydrophobicContact CE2-CG2 4.03Å; I132-V269 HydrophobicContact CD1-CB 4.31Å; I132-V269 HydrophobicContact CD1-CG1 4.17Å; I132-V269 HydrophobicContact CD1-CG2 4.02Å; V265-V269 HydrophobicContact CG1-CG2 4.45Å; V265-V269 VanDerWaalsContact O-CG2 3.29Å; V265-V269 WeakPolarHBondContact O-CG2 3.26Å; V265-V269 PolarHBondContact O-N 3.09Å; N266-V269 PolarHBondContact O-N 3.02Å; L267-V269 VanDerWaalsContact C-N 3.32Å; L267-V269 PolarHBondContact O-N 3.22Å; V269-H272 WeakPolarHBondContact O-CB 3.3Å; V269-H272 PolarHBondContact O-N 3.05Å; V269-L273 HydrophobicContact CG1-CD1 4.02Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.03Å
270	Q	97.1	Very high	96.5	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-50.8	176.9	-171.4	-178.8	17.2	0	0	111.1	W69 Y71 N266 L267 H272 L273 L274	W69-Q270 HydrophobicContact CZ3-CB 4.29Å; Y71-Q270 HydrophobicContact CE2-CG 4.44Å; Y71-Q270 WeakPolarHBondContact OH-CG 3.38Å; N266-Q270 PolarHBondContact O-N 3.08Å; L267-Q270 WeakPolarHBondContact O-CB 3.41Å; L267-Q270 PolarHBondContact O-N 2.75Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.32Å; Q270-L273 CarbonylContact O-C 3.13Å; Q270-L273 PolarHBondContact O-N 2.89Å; Q270-L274 WeakPolarHBondContact O-CG 3.43Å; Q270-L274 PolarHBondContact O-N 2.9Å
271	I	96.7	Very high	96.4	Very high	69 Å²	69	45 Å²	45	35%	0.354	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-40	178.5	-68.4	166.1	0	0	0	111.7	R246 L267 Y268 L273	R246-I271 PolarHBondContact NH1-O 2.95Å; L267-I271 HydrophobicContact CD1-CD1 4.12Å; L267-I271 HydrophobicContact CD1-CG1 4.41Å; L267-I271 HydrophobicContact CG-CD1 3.9Å; L267-I271 WeakPolarHBondContact O-CG1 3.41Å; L267-I271 PolarHBondContact O-N 2.95Å; Y268-I271 HydrophobicContact CD1-CD1 4.48Å; Y268-I271 PolarHBondContact O-N 2.96Å; I271-L273 VanDerWaalsContact C-N 3.35Å
272	H	97.9	Very high	96.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-44.2	174.3	177.6	88	0	0	0	111.3	S130 L131 I132 T220 Y268 V269 Q270 Q275 F276	S130-H272 WeakPolarHBondContact CB-NE2 3.5Å; S130-H272 PolarHBondContact OG-NE2 3.38Å; L131-H272 PolarHBondContact O-CE1 3.14Å; L131-H272 VanDerWaalsContact O-CE1 3.31Å; I132-H272 HydrophobicContact CD1-CB 3.99Å; I132-H272 HydrophobicContact CG1-CB 4.18Å; T220-H272 WeakPolarHBondContact CB-ND1 3.5Å; T220-H272 PolarHBondContact OG1-ND1 3.33Å; Y268-H272 WeakPolarHBondContact O-CB 3.33Å; Y268-H272 PolarHBondContact O-N 3.44Å; V269-H272 WeakPolarHBondContact O-CB 3.3Å; V269-H272 PolarHBondContact O-N 3.05Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.32Å; H272-Q275 WeakPolarHBondContact O-CG 3.42Å; H272-Q275 PolarHBondContact O-NE2 3.05Å; H272-F276 AromaticContact NE2-CE2 3.99Å
273	L	97.6	Very high	96.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-78.9	-19.5	-175.4	-68	175.5	0	0	0	114.7	L46 Y71 H104 V269 Q270 I271 Q275 F276 H277 A283	L46-L273 HydrophobicContact CB-CD1 4.41Å; L46-L273 HydrophobicContact CD2-CD1 4.09Å; Y71-L273 HydrophobicContact CD1-CD1 3.75Å; Y71-L273 HydrophobicContact CE1-CB 3.84Å; Y71-L273 HydrophobicContact CE1-CD1 3.49Å; Y71-L273 VanDerWaalsContact CE1-CD1 3.49Å; Y71-L273 HydrophobicContact CE1-CG 4.32Å; H104-L273 HydrophobicContact CB-CD2 3.91Å; V269-L273 HydrophobicContact CG1-CD1 4.02Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.03Å; Q270-L273 CarbonylContact O-C 3.13Å; Q270-L273 PolarHBondContact O-N 2.89Å; I271-L273 VanDerWaalsContact C-N 3.35Å; L273-Q275 PolarHBondContact O-N 3.32Å; L273-Q275 VanDerWaalsContact O-N 3.07Å; L273-F276 HydrophobicContact CD2-CD2 4.06Å; L273-F276 HydrophobicContact CD2-CE2 4.36Å; L273-F276 PolarHBondContact O-N 3.07Å; L273-H277 PolarHBondContact O-CD2 3.46Å; L273-A283 HydrophobicContact CD1-CB 4.37Å
274	L	95.4	Very high	96.4	Very high	56 Å²	56	40 Å²	40	29%	0.293	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-50	-35.4	176.2	-77.1	176.8	0	0	0	112.2	Q270 F276 H277 E293 Q297	Q270-L274 WeakPolarHBondContact O-CG 3.43Å; Q270-L274 PolarHBondContact O-N 2.9Å; L274-F276 PolarHBondContact O-N 3.24Å; L274-H277 WeakPolarHBondContact O-CB 3.41Å; L274-H277 PolarHBondContact O-N 3.49Å; L274-E293 HydrophobicContact CD2-CG 4.18Å; L274-E293 WeakPolarHBondContact CD2-OE1 3.49Å; L274-Q297 PolarHBondContact O-NE2 2.93Å
275	Q	93.9	Very high	96.3	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.22	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.7	-10.8	-179.1	80.3	-169.8	-72.4	0	0	114.7	H272 L273 Q297	H272-Q275 WeakPolarHBondContact O-CG 3.42Å; H272-Q275 PolarHBondContact O-NE2 3.05Å; L273-Q275 PolarHBondContact O-N 3.32Å; L273-Q275 VanDerWaalsContact O-N 3.07Å; Q275-Q297 VanDerWaalsContact CA-NE2 3.28Å; Q275-Q297 PolarHBondContact O-OE1 2.67Å
276	F	95.5	Very high	96	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.048	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-113	-4.3	-178.6	-49.6	-67.5	0	0	0	112.7	H104 H129 S130 P218 H272 L273 L274 T279 A282	H104-F276 AromaticContact CE1-CD2 3.21Å; H104-F276 WeakPolarHBondContact CE1-CD2 3Å; H104-F276 AromaticContact CE1-CE2 3.47Å; H104-F276 VanDerWaalsContact CE1-CE2 3.47Å; H104-F276 WeakPolarHBondContact CE1-CE2 3.27Å; H104-F276 AromaticContact CE1-CG 3.53Å; H104-F276 AromaticContact CE1-CZ 3.99Å; H104-F276 AromaticContact ND1-CD2 3.81Å; H104-F276 AromaticContact ND1-CE2 3.68Å; H129-F276 AromaticContact CD2-CD1 3.55Å; H129-F276 AromaticContact CD2-CE1 3.72Å; H129-F276 AromaticContact CE1-CD1 3.99Å; H129-F276 AromaticContact CE1-CE1 3.82Å; H129-F276 AromaticContact NE2-CD1 3.15Å; H129-F276 WeakPolarHBondContact NE2-CD1 3.26Å; H129-F276 AromaticContact NE2-CE1 3.4Å; H129-F276 WeakPolarHBondContact NE2-CE1 3.33Å; S130-F276 VanDerWaalsContact CB-CZ 3.49Å; P218-F276 HydrophobicContact CB-CZ 4.1Å; P218-F276 HydrophobicContact CG-CE1 4.28Å; P218-F276 HydrophobicContact CG-CZ 4.08Å; H272-F276 AromaticContact NE2-CE2 3.99Å; L273-F276 HydrophobicContact CD2-CD2 4.06Å; L273-F276 HydrophobicContact CD2-CE2 4.36Å; L273-F276 PolarHBondContact O-N 3.07Å; L274-F276 PolarHBondContact O-N 3.24Å; F276-T279 WeakPolarHBondContact O-CB 3.34Å; F276-T279 WeakPolarHBondContact O-CG2 3.25Å; F276-T279 PolarHBondContact O-N 2.83Å; F276-T279 VanDerWaalsContact O-N 3.16Å; F276-T279 PolarHBondContact O-OG1 3.28Å; F276-A282 WeakPolarHBondContact O-CB 3.41Å
277	H	94.3	Very high	95.7	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.014	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	143.4	179	-75.6	-162.4	0	0	0	111.4	Y71 L273 L274 T279 V289 E293	Y71-H277 AromaticContact CE1-NE2 3.89Å; Y71-H277 AromaticContact CZ-NE2 3.67Å; Y71-H277 PolarHBondContact OH-CE1 2.73Å; Y71-H277 PolarHBondContact OH-NE2 3.47Å; L273-H277 PolarHBondContact O-CD2 3.46Å; L274-H277 WeakPolarHBondContact O-CB 3.41Å; L274-H277 PolarHBondContact O-N 3.49Å; H277-T279 PolarHBondContact O-N 3.32Å; H277-T279 VanDerWaalsContact O-N 3.08Å; H277-V289 HydrophobicContact CB-CG1 3.91Å; H277-V289 HydrophobicContact CB-CG2 4.35Å; H277-E293 IonicContact ND1-OE2 3.77Å
278	G	90	Very high	95.4	Very high	58 Å²	58	48 Å²	48	60%	0.598	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	-4.8	-175.9	0	0	0	0	0	115.5
279	T	94.1	Very high	95	Very high	52 Å²	52	45.8 Å²	45.8	32%	0.319	26%	0.257	S	S	.	.	S	Bend	trans	-92.2	162.9	173.5	81.7	0	0	0	0	111.2	F276 H277 Y281 A282	F276-T279 WeakPolarHBondContact O-CB 3.34Å; F276-T279 WeakPolarHBondContact O-CG2 3.25Å; F276-T279 PolarHBondContact O-N 2.83Å; F276-T279 VanDerWaalsContact O-N 3.16Å; F276-T279 PolarHBondContact O-OG1 3.28Å; H277-T279 PolarHBondContact O-N 3.32Å; H277-T279 VanDerWaalsContact O-N 3.08Å; T279-Y281 PolarHBondContact O-N 3.02Å; T279-Y281 VanDerWaalsContact O-N 3.1Å; T279-Y281 PolarHBondContact OG1-N 2.88Å; T279-A282 WeakPolarHBondContact O-CB 3.44Å; T279-A282 PolarHBondContact O-N 2.89Å; T279-A282 VanDerWaalsContact O-N 3.12Å
280	K	94.1	Very high	94.5	Very high	166 Å²	166	47.7 Å²	47.7	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.9	173.2	71	179.5	-174.7	178.1	0	114.2
281	Y	96.2	Very high	93.9	Very high	64 Å²	64	48.7 Å²	48.7	25%	0.251	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	7.5	178.5	-51.6	-66.4	0	0	0	112.9	C44 K102 H104 H129 T279 A283	C44-Y281 WeakPolarHBondContact CB-O 3.38Å; K102-Y281 HydrophobicContact CB-CD1 4.33Å; K102-Y281 HydrophobicContact CD-CD1 4.46Å; K102-Y281 HydrophobicContact CD-CE1 4.07Å; K102-Y281 HydrophobicContact CG-CE1 4.29Å; H104-Y281 PolarHBondContact NE2-O 3.2Å; H129-Y281 WeakPolarHBondContact CD2-CB 3.41Å; H129-Y281 AromaticContact CD2-CG 3.81Å; H129-Y281 AromaticContact CE1-CD2 3.89Å; H129-Y281 WeakPolarHBondContact NE2-CB 3.39Å; H129-Y281 AromaticContact NE2-CD2 3.52Å; H129-Y281 AromaticContact NE2-CG 3.67Å; T279-Y281 PolarHBondContact O-N 3.02Å; T279-Y281 VanDerWaalsContact O-N 3.1Å; T279-Y281 PolarHBondContact OG1-N 2.88Å; Y281-A283 PolarHBondContact O-N 3Å
282	A	96.9	Very high	93.2	Very high	13 Å²	13	52.2 Å²	52.2	11%	0.107	30%	0.303	C	S	.	.			trans	-60.7	134.7	177.5	0	0	0	0	0	111.7	I42 F276 T279 I284	I42-A282 WeakPolarHBondContact CG2-O 3.39Å; F276-A282 WeakPolarHBondContact O-CB 3.41Å; T279-A282 WeakPolarHBondContact O-CB 3.44Å; T279-A282 PolarHBondContact O-N 2.89Å; T279-A282 VanDerWaalsContact O-N 3.12Å; A282-I284 VanDerWaalsContact C-N 3.27Å; A282-I284 HydrophobicContact CB-CG2 4.22Å
283	A	97.5	Very high	92.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	31%	0.314	C	S	.	.	S	Bend	trans	-83.9	1.4	172.9	0	0	0	0	0	113.8	I42 C44 Y71 R72 L273 Y281	I42-A283 WeakPolarHBondContact CD1-O 3.41Å; C44-A283 VanDerWaalsContact O-CA 3.26Å; C44-A283 WeakPolarHBondContact O-CA 3.46Å; C44-A283 VanDerWaalsContact O-CB 3.31Å; C44-A283 WeakPolarHBondContact O-CB 3.42Å; Y71-A283 CarbonylContact C-O 3.56Å; Y71-A283 VanDerWaalsContact CA-O 3.28Å; Y71-A283 WeakPolarHBondContact CA-O 3.28Å; Y71-A283 HydrophobicContact CD1-CB 4Å; R72-A283 PolarHBondContact N-O 2.62Å; L273-A283 HydrophobicContact CD1-CB 4.37Å; Y281-A283 PolarHBondContact O-N 3Å
284	I	97.5	Very high	91.6	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.036	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-115.5	151.2	-174.5	-169.5	173.3	0	0	0	111	W69 Y71 A282 M288 V289	W69-I284 WeakPolarHBondContact O-CD1 3.4Å; Y71-I284 HydrophobicContact CD1-CB 3.79Å; Y71-I284 HydrophobicContact CD1-CG1 4.43Å; Y71-I284 HydrophobicContact CD2-CD1 4.21Å; Y71-I284 HydrophobicContact CD2-CG1 4.31Å; Y71-I284 HydrophobicContact CE1-CB 3.78Å; Y71-I284 HydrophobicContact CE1-CD1 4.42Å; Y71-I284 HydrophobicContact CE1-CG1 4.45Å; Y71-I284 HydrophobicContact CE1-CG2 4.48Å; Y71-I284 HydrophobicContact CE2-CD1 3.79Å; Y71-I284 HydrophobicContact CE2-CG1 4.32Å; Y71-I284 HydrophobicContact CG-CB 4.19Å; Y71-I284 HydrophobicContact CG-CG1 4.38Å; A282-I284 VanDerWaalsContact C-N 3.27Å; A282-I284 HydrophobicContact CB-CG2 4.22Å; I284-M288 HydrophobicContact CD1-CB 4.02Å; I284-M288 HydrophobicContact CG1-CB 4.06Å; I284-V289 HydrophobicContact CD1-CG2 4.43Å; I284-V289 HydrophobicContact CG2-CG2 3.6Å
285	D	95.4	Very high	90.7	Very high	43 Å²	43	61.3 Å²	61.3	23%	0.23	35%	0.346	C	S	.	.			trans	-60.7	128.1	172.2	-161	-54.3	0	0	0	109.9	P39 I42 G70 S287 M288	P39-D285 HydrophobicContact CG-CB 4Å; I42-D285 VanDerWaalsContact CD1-N 3.33Å; G70-D285 PolarHBondContact O-N 3.26Å; D285-S287 PolarHBondContact O-N 3.16Å; D285-S287 VanDerWaalsContact O-N 3.1Å; D285-S287 PolarHBondContact OD1-N 2.86Å; D285-S287 PolarHBondContact OD1-OG 2.73Å; D285-M288 HydrophobicContact CB-CB 4.35Å; D285-M288 HydrophobicContact CB-CG 3.88Å; D285-M288 WeakPolarHBondContact O-CB 3.44Å; D285-M288 PolarHBondContact O-N 3Å
286	P	92.5	Very high	89.8	Confident	104 Å²	104	63.6 Å²	63.6	68%	0.675	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28.9	176.1	-27.1	35.2	0	0	0	114.2	M288	P286-M288 PolarHBondContact O-N 3.01Å
287	S	92.6	Very high	88.6	Confident	99 Å²	99	64.1 Å²	64.1	69%	0.692	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-72.4	-13.2	178	77	0	0	0	0	113.9	D285	D285-S287 PolarHBondContact O-N 3.16Å; D285-S287 VanDerWaalsContact O-N 3.1Å; D285-S287 PolarHBondContact OD1-N 2.86Å; D285-S287 PolarHBondContact OD1-OG 2.73Å
288	M	92.3	Very high	87.2	Confident	97 Å²	97	71.4 Å²	71.4	48%	0.478	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-99.9	-1.4	-177.1	-62.5	-66.4	-67.9	0	0	112.7	I284 D285 P286	I284-M288 HydrophobicContact CD1-CB 4.02Å; I284-M288 HydrophobicContact CG1-CB 4.06Å; D285-M288 HydrophobicContact CB-CB 4.35Å; D285-M288 HydrophobicContact CB-CG 3.88Å; D285-M288 WeakPolarHBondContact O-CB 3.44Å; D285-M288 PolarHBondContact O-N 3Å; P286-M288 PolarHBondContact O-N 3.01Å
289	V	89.6	Confident	85.8	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.115	39%	0.388	C	S	.	.	S	Bend	trans	-90.8	129.5	178.1	-175.1	0	0	0	0	109.7	H277 I284 E293 L294	H277-V289 HydrophobicContact CB-CG1 3.91Å; H277-V289 HydrophobicContact CB-CG2 4.35Å; I284-V289 HydrophobicContact CD1-CG2 4.43Å; I284-V289 HydrophobicContact CG2-CG2 3.6Å; V289-E293 HydrophobicContact CG1-CB 3.9Å; V289-L294 HydrophobicContact CG1-CD2 3.83Å; V289-L294 HydrophobicContact CG1-CG 3.79Å
290	S	87.9	Confident	84.2	Confident	40 Å²	40	70.7 Å²	70.7	28%	0.28	39%	0.391	S	S	.	.			trans	-74.5	158.3	179.4	97.5	0	0	0	0	112.3	E292 E293 L294	S290-E292 VanDerWaalsContact C-N 3.25Å; S290-E292 PolarHBondContact O-N 3.4Å; S290-E292 PolarHBondContact OG-N 2.58Å; S290-E292 PolarHBondContact OG-OE2 3.03Å; S290-E292 VanDerWaalsContact OG-OE2 3.11Å; S290-E293 PolarHBondContact N-OE2 2.79Å; S290-E293 PolarHBondContact O-N 3.16Å; S290-E293 PolarHBondContact OG-N 3.29Å; S290-E293 VanDerWaalsContact OG-N 3.15Å; S290-L294 WeakPolarHBondContact O-CG 3.42Å; S290-L294 PolarHBondContact O-N 3.47Å
291	A	83.4	Confident	82.3	Confident	72 Å²	72	67.3 Å²	67.3	60%	0.595	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-36.4	174.3	0	0	0	0	0	111.9	L294 E295	A291-L294 PolarHBondContact O-N 3.25Å; A291-E295 WeakPolarHBondContact O-CG 3.49Å; A291-E295 PolarHBondContact O-N 3.13Å
292	E	82.9	Confident	79.9	Confident	143 Å²	143	65.9 Å²	65.9	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-41.9	178.5	-58.4	129.8	165.3	0	0	111.1	S290 L294 E295 V296	S290-E292 VanDerWaalsContact C-N 3.25Å; S290-E292 PolarHBondContact O-N 3.4Å; S290-E292 PolarHBondContact OG-N 2.58Å; S290-E292 PolarHBondContact OG-OE2 3.03Å; S290-E292 VanDerWaalsContact OG-OE2 3.11Å; E292-L294 VanDerWaalsContact C-N 3.27Å; E292-L294 PolarHBondContact O-N 3.15Å; E292-E295 PolarHBondContact O-N 3.38Å; E292-E295 VanDerWaalsContact O-N 3.14Å; E292-V296 WeakPolarHBondContact O-CG2 3.48Å; E292-V296 PolarHBondContact O-N 3.28Å
293	E	81.4	Confident	77.6	Confident	51 Å²	51	70.2 Å²	70.2	24%	0.238	41%	0.405	C	S	.	.	H	α-helix	trans	-60.6	-39.1	175.9	-70.7	174.6	145.5	0	0	111.3	L274 H277 V289 S290 Q297	L274-E293 HydrophobicContact CD2-CG 4.18Å; L274-E293 WeakPolarHBondContact CD2-OE1 3.49Å; H277-E293 IonicContact ND1-OE2 3.77Å; V289-E293 HydrophobicContact CG1-CB 3.9Å; S290-E293 PolarHBondContact N-OE2 2.79Å; S290-E293 PolarHBondContact O-N 3.16Å; S290-E293 PolarHBondContact OG-N 3.29Å; S290-E293 VanDerWaalsContact OG-N 3.15Å; E293-Q297 PolarHBondContact O-N 3.49Å
294	L	80.8	Confident	75.1	Confident	63 Å²	63	75.1 Å²	75.1	33%	0.33	43%	0.431	S	S	.	.	H	α-helix	trans	-68.7	-33.5	175.3	-67.2	171.5	0	0	0	113	V289 S290 A291 E292 Q297 K298	V289-L294 HydrophobicContact CG1-CD2 3.83Å; V289-L294 HydrophobicContact CG1-CG 3.79Å; S290-L294 WeakPolarHBondContact O-CG 3.42Å; S290-L294 PolarHBondContact O-N 3.47Å; A291-L294 PolarHBondContact O-N 3.25Å; E292-L294 VanDerWaalsContact C-N 3.27Å; E292-L294 PolarHBondContact O-N 3.15Å; L294-Q297 PolarHBondContact O-N 3.38Å; L294-K298 PolarHBondContact O-N 2.98Å
295	E	76.7	Confident	72.3	Confident	135 Å²	135	82 Å²	82	63%	0.631	46%	0.464	S	S	*	.	H	α-helix	trans	-70.5	-40.8	176.7	-75.2	-171.5	165.7	0	0	112.3	A291 E292 Q297 K298 G299	A291-E295 WeakPolarHBondContact O-CG 3.49Å; A291-E295 PolarHBondContact O-N 3.13Å; E292-E295 PolarHBondContact O-N 3.38Å; E292-E295 VanDerWaalsContact O-N 3.14Å; E295-Q297 PolarHBondContact O-N 2.98Å; E295-K298 PolarHBondContact O-N 3.17Å; E295-K298 VanDerWaalsContact O-N 3.13Å; E295-G299 PolarHBondContact O-N 3.44Å
296	V	74.6	Confident	69.6	Low	94 Å²	94	88.1 Å²	88.1	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-59.2	-35.7	174.3	175.9	0	0	0	0	111.2	E292 S300	E292-V296 WeakPolarHBondContact O-CG2 3.48Å; E292-V296 PolarHBondContact O-N 3.28Å; V296-S300 WeakPolarHBondContact O-CB 3.49Å; V296-S300 PolarHBondContact O-N 2.67Å; V296-S300 VanDerWaalsContact O-N 3.07Å; V296-S300 PolarHBondContact O-OG 3.46Å
297	Q	69.3	Low	67	Low	23 Å²	23	90.8 Å²	90.8	11%	0.107	49%	0.494	C	S	.	.	H	α-helix	trans	-65.5	-44.9	174.5	-74.5	-52.8	-44.2	0	0	113	L274 Q275 E293 L294 E295 G299 S300 L301	L274-Q297 PolarHBondContact O-NE2 2.93Å; Q275-Q297 VanDerWaalsContact CA-NE2 3.28Å; Q275-Q297 PolarHBondContact O-OE1 2.67Å; E293-Q297 PolarHBondContact O-N 3.49Å; L294-Q297 PolarHBondContact O-N 3.38Å; E295-Q297 PolarHBondContact O-N 2.98Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 3.33Å; Q297-S300 PolarHBondContact O-N 3.19Å; Q297-L301 WeakPolarHBondContact O-CB 3.41Å; Q297-L301 WeakPolarHBondContact O-CG 3.27Å; Q297-L301 PolarHBondContact O-N 2.69Å
298	K	66.2	Low	64.2	Low	155 Å²	155	97.4 Å²	97.4	67%	0.674	51%	0.514	S	S	*	.	H	α-helix	trans	-61.2	-40.8	177.9	-70.5	176.3	-175.3	174.2	0	111.6	L294 E295 G302	L294-K298 PolarHBondContact O-N 2.98Å; E295-K298 PolarHBondContact O-N 3.17Å; E295-K298 VanDerWaalsContact O-N 3.13Å; K298-G302 PolarHBondContact O-N 2.88Å
299	G	60.3	Low	62.8	Low	40 Å²	40	97.4 Å²	97.4	41%	0.412	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-42.1	174.9	0	0	0	0	0	112.9	E295 Q297 G302 I303	E295-G299 PolarHBondContact O-N 3.44Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 3.33Å; G299-G302 PolarHBondContact O-N 3.35Å; G299-I303 WeakPolarHBondContact O-CD1 3.2Å; G299-I303 WeakPolarHBondContact O-CG1 3.08Å; G299-I303 PolarHBondContact O-N 3.04Å
300	S	59.7	Low	61.4	Low	55 Å²	55	101.5 Å²	101.5	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-71.2	-33.6	-179.4	-55.6	0	0	0	0	113.2	V296 Q297 N304	V296-S300 WeakPolarHBondContact O-CB 3.49Å; V296-S300 PolarHBondContact O-N 2.67Å; V296-S300 VanDerWaalsContact O-N 3.07Å; V296-S300 PolarHBondContact O-OG 3.46Å; Q297-S300 PolarHBondContact O-N 3.19Å; S300-N304 PolarHBondContact O-ND2 2.98Å
301	L	55.5	Low	59.9	Low	96 Å²	96	104.9 Å²	104.9	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-74.7	-32.3	174.8	-74.9	164.6	0	0	0	112.8	Q297 Q305	Q297-L301 WeakPolarHBondContact O-CB 3.41Å; Q297-L301 WeakPolarHBondContact O-CG 3.27Å; Q297-L301 PolarHBondContact O-N 2.69Å; L301-Q305 PolarHBondContact O-N 2.95Å
302	G	43.9	Very low	58.6	Low	34 Å²	34	106.9 Å²	106.9	35%	0.351	55%	0.548	S	S	.	.	H	α-helix	trans	-66.8	-41.2	176	0	0	0	0	0	113	K298 G299 N304 Q305 E306	K298-G302 PolarHBondContact O-N 2.88Å; G299-G302 PolarHBondContact O-N 3.35Å; G302-N304 PolarHBondContact O-N 3.41Å; G302-Q305 PolarHBondContact O-N 3.12Å; G302-E306 PolarHBondContact O-N 3.2Å
303	I	49.7	Very low	57	Low	103 Å²	103	104.6 Å²	104.6	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-40.6	178.4	-63.8	163.9	0	0	0	111.2	G299 Q305 E306	G299-I303 WeakPolarHBondContact O-CD1 3.2Å; G299-I303 WeakPolarHBondContact O-CG1 3.08Å; G299-I303 PolarHBondContact O-N 3.04Å; I303-Q305 PolarHBondContact O-N 3.35Å; I303-E306 PolarHBondContact O-N 3.28Å
304	N	44.1	Very low	55.4	Low	105 Å²	105	108.2 Å²	108.2	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-70.8	-15.5	178.3	-77.3	-25.4	0	0	0	114.3	S300 G302	S300-N304 PolarHBondContact O-ND2 2.98Å; G302-N304 PolarHBondContact O-N 3.41Å
305	Q	39.8	Very low	53.6	Low	152 Å²	152	111.4 Å²	111.4	71%	0.71	58%	0.578	S	S	*	*	H	α-helix	trans	-90	-19.3	174.7	-75.9	-175.5	0.3	0	0	113.1	L301 G302 I303	L301-Q305 PolarHBondContact O-N 2.95Å; G302-Q305 PolarHBondContact O-N 3.12Å; I303-Q305 PolarHBondContact O-N 3.35Å
306	E	38.7	Very low	51.8	Low	171 Å²	171	109.6 Å²	109.6	80%	0.799	57%	0.573	S	S	*	*	H	α-helix	trans	-86.5	-11.2	175.8	-71.1	-177.4	166.3	0	0	113	G302 I303	G302-E306 PolarHBondContact O-N 3.2Å; I303-E306 PolarHBondContact O-N 3.28Å
307	E	38.6	Very low	49.9	Very low	160 Å²	160	110.9 Å²	110.9	75%	0.748	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	14.4	177.2	-70.5	-171.4	159.9	0	0	114.6
308	Q	33.3	Very low	48.2	Very low	237 Å²	237	118.9 Å²	118.9	100%	1.107	62%	0.616	S	S	*	*			trans	-113.5	0	169.5	-74.5	-172.9	1.5	0	0	111.8

Retrieved 308 of 308 residues in 414.1 ms (Link to these results)

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