A0A077ZAL3_TRITR Loading...

Mga domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 aa.

Structure Viewer

Loading PAE data...

(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	80.9	Confident	89.3	Confident	9 Å²	9	48.4 Å²	48.4	4%	0.044	25%	0.25	C	S	.	.				0	-1.4	0	-74.8	-159.9	-101.9	0	0	114.7	Q3 L4 F91 F129 F155 Y159 M327 L328	M1-Q3 PolarHBondContact O-N 2.93Å; M1-L4 HydrophobicContact CB-CD1 4.12Å; M1-L4 HydrophobicContact CG-CD1 3.92Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 HydrophobicContact SD-CD1 3.77Å; M1-F91 HydrophobicContact CB-CE1 3.91Å; M1-F91 HydrophobicContact CB-CZ 4.46Å; M1-F91 HydrophobicContact CG-CE1 4.48Å; M1-F91 HydrophobicContact SD-CD1 4.13Å; M1-F91 HydrophobicContact SD-CE1 3.87Å; M1-F129 HydrophobicContact CB-CE2 4.3Å; M1-F129 HydrophobicContact CB-CZ 4.3Å; M1-F129 HydrophobicContact CE-CE1 4.14Å; M1-F129 HydrophobicContact CE-CZ 4.35Å; M1-F129 HydrophobicContact CG-CD1 3.53Å; M1-F129 HydrophobicContact CG-CD2 3.92Å; M1-F129 HydrophobicContact CG-CE1 3.2Å; M1-F129 HydrophobicContact CG-CE2 3.63Å; M1-F129 HydrophobicContact CG-CG 3.88Å; M1-F129 HydrophobicContact CG-CZ 3.24Å; M1-F129 HydrophobicContact SD-CD1 4.23Å; M1-F129 HydrophobicContact SD-CE1 3.86Å; M1-F129 HydrophobicContact SD-CZ 4.34Å; M1-F155 HydrophobicContact CE-CE2 3.89Å; M1-F155 HydrophobicContact CE-CZ 4.08Å; M1-Y159 HydrophobicContact CE-CD2 3.99Å; M1-M327 HydrophobicContact CE-CB 3.64Å; M1-M327 HydrophobicContact CE-CE 3.8Å; M1-M327 HydrophobicContact CE-CG 3.65Å; M1-M327 HydrophobicContact CE-SD 3.07Å; M1-M327 WeakPolarHBondContact CE-SD 3.26Å; M1-M327 PolarHBondContact N-O 2.64Å; M1-L328 VanDerWaalsContact C-CD2 3.41Å; M1-L328 HydrophobicContact CB-CD2 3.6Å; M1-L328 HydrophobicContact CB-CG 4.17Å
2	K	84.9	Confident	89.8	Confident	61 Å²	61	47.1 Å²	47.1	27%	0.265	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-53.2	-24.6	-179	-71	-169.5	175.6	-167.8	0	115.1	L4 L5 Y10 E17 L328	K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.43Å; K2-L5 WeakPolarHBondContact O-CB 3.27Å; K2-L5 PolarHBondContact O-N 2.77Å; K2-Y10 HydrophobicContact CB-CD2 4.09Å; K2-Y10 HydrophobicContact CB-CE2 3.79Å; K2-Y10 HydrophobicContact CD-CE2 3.98Å; K2-Y10 HydrophobicContact CG-CE2 4.34Å; K2-E17 IonicContact NZ-OE1 2.76Å; K2-E17 PolarHBondContact NZ-OE1 3.14Å; K2-E17 IonicContact NZ-OE2 3.51Å; K2-E17 PolarHBondContact NZ-OE2 3.06Å; K2-L328 WeakPolarHBondContact CE-O 3.43Å; K2-L328 HydrophobicContact CG-CD2 4.09Å
3	Q	83.8	Confident	90	Very high	79 Å²	79	43.8 Å²	43.8	37%	0.369	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-72.6	-13.9	175.3	74.5	-175.6	23.2	0	0	115.5	M1 L5 A125 F129 R132	M1-Q3 PolarHBondContact O-N 2.93Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; Q3-A125 PolarHBondContact NE2-O 3.14Å; Q3-F129 VanDerWaalsContact NE2-CB 3.34Å; Q3-F129 VanDerWaalsContact NE2-N 3.15Å; Q3-R132 VanDerWaalsContact OE1-CZ 3.29Å
4	L	87.9	Confident	90.2	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-82	-18.4	173.6	-65.6	176.6	0	0	0	111.8	M1 K2 E90 F91 A125 L126	M1-L4 HydrophobicContact CB-CD1 4.12Å; M1-L4 HydrophobicContact CG-CD1 3.92Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 HydrophobicContact SD-CD1 3.77Å; K2-L4 VanDerWaalsContact C-N 3.29Å; K2-L4 PolarHBondContact O-N 3.43Å; L4-E90 HydrophobicContact CB-CB 4.06Å; L4-E90 HydrophobicContact CB-CG 4.38Å; L4-E90 WeakPolarHBondContact O-CG 3.45Å; L4-F91 HydrophobicContact CB-CE1 4.15Å; L4-F91 HydrophobicContact CB-CZ 4.32Å; L4-F91 HydrophobicContact CD1-CE1 4.03Å; L4-A125 HydrophobicContact CD2-CB 3.81Å; L4-L126 HydrophobicContact CD1-CD1 3.89Å; L4-L126 HydrophobicContact CD2-CB 3.99Å
5	L	90.2	Very high	90.6	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.084	21%	0.213	C	C	.	.	S	Bend	trans	-70	136.3	178.3	-61.7	173	0	0	0	109.8	K2 Q3 T9 Y10 I13 I84 F91 L328	K2-L5 WeakPolarHBondContact O-CB 3.27Å; K2-L5 PolarHBondContact O-N 2.77Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; L5-T9 HydrophobicContact CD2-CG2 4.09Å; L5-Y10 HydrophobicContact CD1-CD2 4.22Å; L5-I13 HydrophobicContact CD1-CD1 3.56Å; L5-I84 HydrophobicContact CD2-CG2 3.5Å; L5-I84 VanDerWaalsContact CD2-CG2 3.5Å; L5-F91 HydrophobicContact CD2-CE2 3.48Å; L5-F91 VanDerWaalsContact CD2-CE2 3.48Å; L5-F91 HydrophobicContact CD2-CZ 3.68Å; L5-F91 HydrophobicContact CG-CZ 4.29Å; L5-L328 HydrophobicContact CD1-CD2 4.2Å; L5-L328 HydrophobicContact CG-CD2 4.37Å
6	N	88.5	Confident	90.7	Very high	77 Å²	77	39.6 Å²	39.6	41%	0.412	20%	0.2	S	C	.	.			trans	-57.8	154.5	166.9	74.8	65.1	0	0	0	110.5	S8 T9 Y10	N6-S8 PolarHBondContact O-N 3.02Å; N6-S8 VanDerWaalsContact O-N 3.13Å; N6-S8 WeakPolarHBondContact OD1-CB 3.27Å; N6-S8 PolarHBondContact OD1-N 3.24Å; N6-T9 PolarHBondContact ND2-OG1 2.88Å; N6-T9 PolarHBondContact O-N 3.41Å; N6-T9 PolarHBondContact OD1-N 2.79Å; N6-T9 PolarHBondContact OD1-OG1 2.68Å; N6-Y10 WeakPolarHBondContact O-CB 3.36Å; N6-Y10 PolarHBondContact O-N 2.92Å
7	S	88.8	Confident	90.7	Very high	93 Å²	93	39.8 Å²	39.8	65%	0.65	20%	0.2	S	C	*	.	H	α-helix	trans	-58.2	-32.4	-173.1	55.3	0	0	0	0	113.9	R11	S7-R11 VanDerWaalsContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CB 3.46Å; S7-R11 PolarHBondContact O-N 3.43Å; S7-R11 VanDerWaalsContact O-N 3.1Å
8	S	93.5	Very high	90.7	Very high	39 Å²	39	39.1 Å²	39.1	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-74.4	-48.1	-179.2	-63.2	0	0	0	0	111.3	N6 R11 R12	N6-S8 PolarHBondContact O-N 3.02Å; N6-S8 VanDerWaalsContact O-N 3.13Å; N6-S8 WeakPolarHBondContact OD1-CB 3.27Å; N6-S8 PolarHBondContact OD1-N 3.24Å; S8-R11 PolarHBondContact O-N 3.23Å; S8-R12 WeakPolarHBondContact O-CD 3.46Å; S8-R12 VanDerWaalsContact O-CG 3.25Å; S8-R12 WeakPolarHBondContact O-CG 3.29Å; S8-R12 PolarHBondContact O-N 3.16Å
9	T	94.2	Very high	90.8	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-44.4	176.3	-60.4	0	0	0	0	111	L5 N6 R11 R12 I13 I84	L5-T9 HydrophobicContact CD2-CG2 4.09Å; N6-T9 PolarHBondContact ND2-OG1 2.88Å; N6-T9 PolarHBondContact O-N 3.41Å; N6-T9 PolarHBondContact OD1-N 2.79Å; N6-T9 PolarHBondContact OD1-OG1 2.68Å; T9-R11 PolarHBondContact O-N 3Å; T9-R12 PolarHBondContact O-N 3.1Å; T9-I13 HydrophobicContact CG2-CD1 4.06Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.28Å; T9-I84 HydrophobicContact CG2-CD1 4.39Å; T9-I84 HydrophobicContact CG2-CG1 4.07Å; T9-I84 HydrophobicContact CG2-CG2 4.15Å
10	Y	93.8	Very high	90.6	Very high	88 Å²	88	36.6 Å²	36.6	35%	0.345	18%	0.184	S	C	.	.	H	α-helix	trans	-57.2	-48.1	175.4	-179.5	-107	0	0	0	111.9	K2 L5 N6 R12 I13 Q14	K2-Y10 HydrophobicContact CB-CD2 4.09Å; K2-Y10 HydrophobicContact CB-CE2 3.79Å; K2-Y10 HydrophobicContact CD-CE2 3.98Å; K2-Y10 HydrophobicContact CG-CE2 4.34Å; L5-Y10 HydrophobicContact CD1-CD2 4.22Å; N6-Y10 WeakPolarHBondContact O-CB 3.36Å; N6-Y10 PolarHBondContact O-N 2.92Å; Y10-R12 PolarHBondContact O-N 3.4Å; Y10-I13 PolarHBondContact O-N 2.87Å; Y10-Q14 HydrophobicContact CD1-CG 4.38Å; Y10-Q14 HydrophobicContact CE1-CG 4.04Å; Y10-Q14 VanDerWaalsContact CE1-NE2 3.29Å; Y10-Q14 HydrophobicContact CE2-CG 4.32Å; Y10-Q14 VanDerWaalsContact CZ-CD 3.48Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.28Å; Y10-Q14 WeakPolarHBondContact O-CG 3.4Å; Y10-Q14 PolarHBondContact O-N 3.38Å; Y10-Q14 PolarHBondContact OH-NE2 3.31Å
11	R	95.5	Very high	90.3	Very high	48 Å²	48	40 Å²	40	18%	0.181	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-44.7	178.1	-175	-179.6	64.4	-115.2	-6.4	112.2	S7 S8 T9 I13 Q14 F15 I35 D45	S7-R11 VanDerWaalsContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CB 3.46Å; S7-R11 PolarHBondContact O-N 3.43Å; S7-R11 VanDerWaalsContact O-N 3.1Å; S8-R11 PolarHBondContact O-N 3.23Å; T9-R11 PolarHBondContact O-N 3Å; R11-I13 PolarHBondContact O-N 3.09Å; R11-Q14 PolarHBondContact O-N 3.24Å; R11-F15 WeakPolarHBondContact O-CB 3.17Å; R11-F15 PolarHBondContact O-N 3.46Å; R11-I35 HydrophobicContact CG-CG2 3.39Å; R11-D45 IonicContact CZ-OD1 3.68Å; R11-D45 IonicContact CZ-OD2 3.4Å; R11-D45 VanDerWaalsContact CZ-OD2 3.28Å; R11-D45 IonicContact NE-OD2 3.92Å; R11-D45 PolarHBondContact NE-OD2 3.15Å; R11-D45 IonicContact NH2-OD1 3.21Å; R11-D45 PolarHBondContact NH2-OD1 3.07Å; R11-D45 IonicContact NH2-OD2 2.69Å; R11-D45 PolarHBondContact NH2-OD2 2.84Å
12	R	95.7	Very high	90.5	Very high	33 Å²	33	42.4 Å²	42.4	13%	0.125	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-44.3	178.2	-71.6	162.7	-173.6	171.3	-5.6	111.7	S8 T9 Y10 F15 V16 D45 Y48 I49 W53	S8-R12 WeakPolarHBondContact O-CD 3.46Å; S8-R12 VanDerWaalsContact O-CG 3.25Å; S8-R12 WeakPolarHBondContact O-CG 3.29Å; S8-R12 PolarHBondContact O-N 3.16Å; T9-R12 PolarHBondContact O-N 3.1Å; Y10-R12 PolarHBondContact O-N 3.4Å; R12-F15 WeakPolarHBondContact O-CB 3.36Å; R12-F15 PolarHBondContact O-N 3.14Å; R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.49Å; R12-D45 HydrophobicContact CG-CB 3.93Å; R12-D45 WeakPolarHBondContact CG-OD1 3.38Å; R12-D45 IonicContact CZ-OD1 3.82Å; R12-D45 IonicContact NE-OD1 3.21Å; R12-D45 PolarHBondContact NE-OD1 3.26Å; R12-D45 IonicContact NH2-OD1 3.35Å; R12-Y48 VanDerWaalsContact CZ-CG 3.42Å; R12-Y48 VanDerWaalsContact NH1-CD1 3.35Å; R12-Y48 VanDerWaalsContact NH1-CE2 3.31Å; R12-I49 HydrophobicContact CB-CD1 4.17Å; R12-I49 HydrophobicContact CB-CG1 4.37Å; R12-I49 HydrophobicContact CG-CD1 4.33Å; R12-I49 HydrophobicContact CG-CG1 4.44Å; R12-W53 HydrophobicContact CB-CH2 3.62Å; R12-W53 HydrophobicContact CB-CZ3 3.81Å
13	I	92.7	Very high	90.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.3	-66.8	169	0	0	0	110.8	L5 T9 Y10 R11 F15 V16 E17 W53 Y81 I84	L5-I13 HydrophobicContact CD1-CD1 3.56Å; T9-I13 HydrophobicContact CG2-CD1 4.06Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.28Å; Y10-I13 PolarHBondContact O-N 2.87Å; R11-I13 PolarHBondContact O-N 3.09Å; I13-F15 PolarHBondContact O-N 3.43Å; I13-V16 PolarHBondContact O-N 3.38Å; I13-E17 HydrophobicContact CG2-CG 4.05Å; I13-E17 WeakPolarHBondContact O-CB 3.38Å; I13-E17 WeakPolarHBondContact O-CG 3.48Å; I13-E17 PolarHBondContact O-N 3Å; I13-W53 HydrophobicContact CG1-CH2 3.96Å; I13-Y81 HydrophobicContact CD1-CE1 4.05Å; I13-Y81 HydrophobicContact CG2-CE1 4.04Å; I13-Y81 WeakPolarHBondContact CG2-OH 3.34Å; I13-I84 HydrophobicContact CD1-CD1 3.33Å; I13-I84 HydrophobicContact CD1-CG1 4.42Å; I13-I84 HydrophobicContact CG1-CD1 3.64Å
14	Q	93.2	Very high	90.1	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-38.3	177.3	-73.8	-174.2	-52	0	0	111.8	Y10 R11 F18 I35	Y10-Q14 HydrophobicContact CD1-CG 4.38Å; Y10-Q14 HydrophobicContact CE1-CG 4.04Å; Y10-Q14 VanDerWaalsContact CE1-NE2 3.29Å; Y10-Q14 HydrophobicContact CE2-CG 4.32Å; Y10-Q14 VanDerWaalsContact CZ-CD 3.48Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.28Å; Y10-Q14 WeakPolarHBondContact O-CG 3.4Å; Y10-Q14 PolarHBondContact O-N 3.38Å; Y10-Q14 PolarHBondContact OH-NE2 3.31Å; R11-Q14 PolarHBondContact O-N 3.24Å; Q14-F18 VanDerWaalsContact O-CB 3.24Å; Q14-F18 WeakPolarHBondContact O-CB 3.24Å; Q14-F18 PolarHBondContact O-N 2.87Å; Q14-I35 HydrophobicContact CB-CD1 4.19Å
15	F	95.1	Very high	90.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-48.3	176.6	179.8	-142.2	0	0	0	112	R11 R12 I13 F18 L19 A31 I35 L42 I46 I49 I59 V67	R11-F15 WeakPolarHBondContact O-CB 3.17Å; R11-F15 PolarHBondContact O-N 3.46Å; R12-F15 WeakPolarHBondContact O-CB 3.36Å; R12-F15 PolarHBondContact O-N 3.14Å; I13-F15 PolarHBondContact O-N 3.43Å; F15-F18 WeakPolarHBondContact O-CB 3.5Å; F15-F18 PolarHBondContact O-N 3.32Å; F15-L19 HydrophobicContact CD2-CD1 4.14Å; F15-L19 HydrophobicContact CD2-CG 3.96Å; F15-L19 HydrophobicContact CE1-CD1 4.23Å; F15-L19 HydrophobicContact CE2-CD1 3.52Å; F15-L19 HydrophobicContact CE2-CD2 3.85Å; F15-L19 HydrophobicContact CE2-CG 3.6Å; F15-L19 HydrophobicContact CZ-CD1 3.58Å; F15-L19 HydrophobicContact CZ-CG 4.2Å; F15-L19 WeakPolarHBondContact O-CG 3.39Å; F15-L19 PolarHBondContact O-N 3.28Å; F15-A31 HydrophobicContact CE2-CB 4.06Å; F15-I35 HydrophobicContact CB-CD1 4.17Å; F15-I35 HydrophobicContact CB-CG1 4Å; F15-I35 HydrophobicContact CB-CG2 4.31Å; F15-I35 HydrophobicContact CD2-CG1 3.93Å; F15-I35 HydrophobicContact CG-CG1 4.32Å; F15-L42 HydrophobicContact CD1-CD1 3.74Å; F15-L42 HydrophobicContact CD1-CG 4.4Å; F15-L42 HydrophobicContact CD2-CD1 3.78Å; F15-L42 HydrophobicContact CE1-CD1 3.74Å; F15-L42 HydrophobicContact CE1-CD2 4.49Å; F15-L42 HydrophobicContact CE1-CG 3.92Å; F15-L42 HydrophobicContact CE2-CD1 3.79Å; F15-L42 HydrophobicContact CE2-CD2 4.02Å; F15-L42 HydrophobicContact CE2-CG 4.18Å; F15-L42 HydrophobicContact CG-CD1 3.76Å; F15-L42 HydrophobicContact CZ-CD1 3.76Å; F15-L42 HydrophobicContact CZ-CD2 3.86Å; F15-L42 HydrophobicContact CZ-CG 3.79Å; F15-I46 HydrophobicContact CE1-CD1 4.22Å; F15-I46 HydrophobicContact CE1-CG1 3.64Å; F15-I46 HydrophobicContact CZ-CD1 4.27Å; F15-I46 HydrophobicContact CZ-CG1 4.18Å; F15-I49 HydrophobicContact CD1-CD1 4.05Å; F15-I59 HydrophobicContact CD1-CD1 4Å; F15-I59 HydrophobicContact CE1-CD1 3.67Å; F15-I59 HydrophobicContact CZ-CD1 4.35Å; F15-V67 HydrophobicContact CE2-CG2 4.3Å; F15-V67 HydrophobicContact CZ-CB 4.49Å; F15-V67 HydrophobicContact CZ-CG2 4.22Å
16	V	92.6	Very high	90.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-49.8	175.4	174.4	0	0	0	0	111	R12 I13 F18 L19 D20 I49 W53 I57 I59 L69 M77	R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.49Å; I13-V16 PolarHBondContact O-N 3.38Å; V16-F18 PolarHBondContact O-N 3.29Å; V16-L19 PolarHBondContact O-N 2.88Å; V16-D20 VanDerWaalsContact O-CB 3.28Å; V16-D20 WeakPolarHBondContact O-CB 3.42Å; V16-D20 PolarHBondContact O-N 3.42Å; V16-I49 HydrophobicContact CG2-CD1 3.82Å; V16-I49 HydrophobicContact CG2-CG1 4.47Å; V16-I49 HydrophobicContact CG2-CG2 4.37Å; V16-W53 HydrophobicContact CG2-CE3 4.39Å; V16-W53 HydrophobicContact CG2-CZ3 4.16Å; V16-I57 HydrophobicContact CB-CD1 4.41Å; V16-I57 HydrophobicContact CG1-CD1 3.71Å; V16-I57 HydrophobicContact CG2-CD1 3.77Å; V16-I59 HydrophobicContact CG2-CD1 4.25Å; V16-L69 HydrophobicContact CG1-CD1 4.44Å; V16-L69 HydrophobicContact CG1-CD2 4.11Å; V16-M77 HydrophobicContact CG1-CE 3.3Å; V16-M77 HydrophobicContact CG1-SD 3.66Å
17	E	90.5	Very high	90.6	Very high	43 Å²	43	48.3 Å²	48.3	20%	0.201	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-29.1	177.7	-77.7	-174.8	148.4	0	0	112.6	K2 I13 Q21 Y81	K2-E17 IonicContact NZ-OE1 2.76Å; K2-E17 PolarHBondContact NZ-OE1 3.14Å; K2-E17 IonicContact NZ-OE2 3.51Å; K2-E17 PolarHBondContact NZ-OE2 3.06Å; I13-E17 HydrophobicContact CG2-CG 4.05Å; I13-E17 WeakPolarHBondContact O-CB 3.38Å; I13-E17 WeakPolarHBondContact O-CG 3.48Å; I13-E17 PolarHBondContact O-N 3Å; E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-NE2 3.27Å; E17-Y81 PolarHBondContact OE1-OH 3.32Å
18	F	91.8	Very high	90.9	Very high	28 Å²	28	44.8 Å²	44.8	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-75.2	-51.7	175.5	167.1	-115.1	0	0	0	111.4	Q14 F15 V16 D20 Q21 L22 A31 K34 I35	Q14-F18 VanDerWaalsContact O-CB 3.24Å; Q14-F18 WeakPolarHBondContact O-CB 3.24Å; Q14-F18 PolarHBondContact O-N 2.87Å; F15-F18 WeakPolarHBondContact O-CB 3.5Å; F15-F18 PolarHBondContact O-N 3.32Å; V16-F18 PolarHBondContact O-N 3.29Å; F18-D20 PolarHBondContact O-N 3.3Å; F18-Q21 WeakPolarHBondContact O-CG 3.35Å; F18-Q21 PolarHBondContact O-N 2.96Å; F18-L22 HydrophobicContact CE1-CD1 3.87Å; F18-L22 HydrophobicContact CE2-CD1 4.19Å; F18-L22 HydrophobicContact CE2-CD2 4.14Å; F18-L22 HydrophobicContact CE2-CG 4.39Å; F18-L22 HydrophobicContact CZ-CD1 3.69Å; F18-L22 HydrophobicContact CZ-CD2 4.35Å; F18-L22 HydrophobicContact CZ-CG 4.38Å; F18-A31 HydrophobicContact CE1-CB 4.18Å; F18-K34 HydrophobicContact CD1-CG 4.34Å; F18-K34 HydrophobicContact CD2-CG 3.84Å; F18-K34 HydrophobicContact CE1-CB 4.22Å; F18-K34 HydrophobicContact CE1-CG 4.2Å; F18-K34 HydrophobicContact CE2-CB 4.48Å; F18-K34 HydrophobicContact CE2-CD 4.45Å; F18-K34 HydrophobicContact CE2-CG 3.7Å; F18-K34 HydrophobicContact CG-CG 4.16Å; F18-K34 HydrophobicContact CZ-CB 4.15Å; F18-K34 HydrophobicContact CZ-CG 3.87Å; F18-I35 HydrophobicContact CB-CD1 4.04Å; F18-I35 HydrophobicContact CD1-CD1 4.47Å; F18-I35 HydrophobicContact CG-CD1 4.46Å
19	L	91.6	Very high	90.9	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-33.2	177.5	-66.7	-176.5	0	0	0	111.7	F15 V16 Q21 L22 C26 I59 V67 L69	F15-L19 HydrophobicContact CD2-CD1 4.14Å; F15-L19 HydrophobicContact CD2-CG 3.96Å; F15-L19 HydrophobicContact CE1-CD1 4.23Å; F15-L19 HydrophobicContact CE2-CD1 3.52Å; F15-L19 HydrophobicContact CE2-CD2 3.85Å; F15-L19 HydrophobicContact CE2-CG 3.6Å; F15-L19 HydrophobicContact CZ-CD1 3.58Å; F15-L19 HydrophobicContact CZ-CG 4.2Å; F15-L19 WeakPolarHBondContact O-CG 3.39Å; F15-L19 PolarHBondContact O-N 3.28Å; V16-L19 PolarHBondContact O-N 2.88Å; L19-Q21 PolarHBondContact O-N 2.91Å; L19-Q21 VanDerWaalsContact O-N 3.08Å; L19-L22 HydrophobicContact CD2-CD1 4.16Å; L19-L22 PolarHBondContact O-N 2.88Å; L19-C26 HydrophobicContact CD2-CB 4.43Å; L19-I59 HydrophobicContact CD1-CD1 3.99Å; L19-I59 HydrophobicContact CD1-CG1 4.18Å; L19-I59 HydrophobicContact CD1-CG2 3.99Å; L19-V67 HydrophobicContact CD2-CG2 3.97Å; L19-L69 HydrophobicContact CB-CB 3.67Å; L19-L69 HydrophobicContact CB-CD2 4.47Å; L19-L69 HydrophobicContact CD1-CB 4.28Å
20	D	87.6	Confident	90.9	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.6	176.6	-165.9	66.3	0	0	0	114.6	V16 F18 L69 N71 K334 R337	V16-D20 VanDerWaalsContact O-CB 3.28Å; V16-D20 WeakPolarHBondContact O-CB 3.42Å; V16-D20 PolarHBondContact O-N 3.42Å; F18-D20 PolarHBondContact O-N 3.3Å; D20-L69 HydrophobicContact CB-CD2 3.82Å; D20-N71 PolarHBondContact OD1-ND2 3.09Å; D20-K334 IonicContact OD1-NZ 3.45Å; D20-K334 PolarHBondContact OD1-NZ 3.22Å; D20-K334 VanDerWaalsContact OD2-CD 3.28Å; D20-K334 WeakPolarHBondContact OD2-CD 3.29Å; D20-K334 WeakPolarHBondContact OD2-CE 3.36Å; D20-K334 IonicContact OD2-NZ 2.69Å; D20-K334 PolarHBondContact OD2-NZ 3.32Å; D20-R337 PolarHBondContact O-NH2 3.35Å
21	Q	84.3	Confident	91	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-9.9	176.3	-32.1	-169	-0.2	0	0	112.7	E17 F18 L19	E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-NE2 3.27Å; F18-Q21 WeakPolarHBondContact O-CG 3.35Å; F18-Q21 PolarHBondContact O-N 2.96Å; L19-Q21 PolarHBondContact O-N 2.91Å; L19-Q21 VanDerWaalsContact O-N 3.08Å
22	L	85	Confident	91	Very high	61 Å²	61	48 Å²	48	32%	0.319	25%	0.246	S	C	.	.			trans	-94.3	134	-175.9	-57.1	-177	0	0	0	109.9	F18 L19 S24 C26	F18-L22 HydrophobicContact CE1-CD1 3.87Å; F18-L22 HydrophobicContact CE2-CD1 4.19Å; F18-L22 HydrophobicContact CE2-CD2 4.14Å; F18-L22 HydrophobicContact CE2-CG 4.39Å; F18-L22 HydrophobicContact CZ-CD1 3.69Å; F18-L22 HydrophobicContact CZ-CD2 4.35Å; F18-L22 HydrophobicContact CZ-CG 4.38Å; L19-L22 HydrophobicContact CD2-CD1 4.16Å; L19-L22 PolarHBondContact O-N 2.88Å; L22-S24 VanDerWaalsContact C-N 3.26Å; L22-S24 PolarHBondContact O-N 3.21Å; L22-C26 HydrophobicContact CD1-CB 3.52Å
23	P	75.4	Confident	91	Very high	138 Å²	138	55.5 Å²	55.5	90%	0.896	27%	0.274	S	S	*	.	S	Bend	trans	-77.4	-13.9	178.1	32.2	-35.7	0	0	0	112.9
24	S	83.5	Confident	91.1	Very high	75 Å²	75	62 Å²	62	52%	0.524	30%	0.303	S	S	.	.	S	Bend	trans	-153.8	-175.6	-172.6	-165.8	0	0	0	0	111.1	L22	L22-S24 VanDerWaalsContact C-N 3.26Å; L22-S24 PolarHBondContact O-N 3.21Å
25	W	91.2	Very high	91.2	Very high	56 Å²	56	59.8 Å²	59.8	21%	0.212	29%	0.292	C	S	.	.			trans	-53.4	142.6	177.3	-63.1	91.2	0	0	0	113	E60 Q65 G66 R68	W25-E60 HydrophobicContact CH2-CB 3.76Å; W25-E60 HydrophobicContact CZ3-CB 4.14Å; W25-Q65 HydrophobicContact CB-CB 4.28Å; W25-Q65 WeakPolarHBondContact CB-O 3.5Å; W25-Q65 HydrophobicContact CD2-CB 3.53Å; W25-Q65 HydrophobicContact CE3-CB 3.76Å; W25-Q65 HydrophobicContact CG-CB 3.8Å; W25-Q65 HydrophobicContact CZ2-CB 4.4Å; W25-Q65 HydrophobicContact CZ3-CB 4.31Å; W25-G66 WeakPolarHBondContact CZ3-O 3.48Å; W25-R68 HydrophobicContact CD2-CB 4.04Å; W25-R68 HydrophobicContact CD2-CG 3.85Å; W25-R68 HydrophobicContact CE3-CB 4Å; W25-R68 HydrophobicContact CE3-CG 3.83Å; W25-R68 HydrophobicContact CG-CB 4.38Å; W25-R68 HydrophobicContact CH2-CG 3.95Å; W25-R68 HydrophobicContact CZ2-CG 3.97Å; W25-R68 HydrophobicContact CZ3-CB 4.45Å; W25-R68 HydrophobicContact CZ3-CG 3.88Å
26	C	92.6	Very high	91.2	Very high	9 Å²	9	67.1 Å²	67.1	6%	0.061	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-121.3	136.9	175.2	-176.9	0	0	0	0	109.6	L19 L22 V28 G66 V67	L19-C26 HydrophobicContact CD2-CB 4.43Å; L22-C26 HydrophobicContact CD1-CB 3.52Å; C26-V28 PolarHBondContact O-N 3.28Å; C26-G66 CarbonylContact O-C 3.56Å; C26-G66 VanDerWaalsContact O-CA 3.31Å; C26-G66 WeakPolarHBondContact O-CA 3.35Å; C26-V67 HydrophobicContact CB-CG2 4.37Å; C26-V67 PolarHBondContact N-O 3.48Å; C26-V67 WeakPolarHBondContact O-CG2 3.44Å; C26-V67 PolarHBondContact O-N 2.75Å
27	D	94.4	Very high	91.4	Very high	84 Å²	84	68.4 Å²	68.4	45%	0.449	34%	0.34	S	S	.	.			trans	-58	138.6	174.2	175.7	-95.6	0	0	0	111	K29 E30 A31	D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 2.77Å; D27-K29 WeakPolarHBondContact OD1-CA 3.32Å; D27-K29 WeakPolarHBondContact OD1-CB 3.36Å; D27-K29 PolarHBondContact OD1-N 2.99Å; D27-E30 HydrophobicContact CB-CB 4.09Å; D27-E30 WeakPolarHBondContact O-CB 3.25Å; D27-E30 PolarHBondContact O-N 3.32Å; D27-E30 VanDerWaalsContact O-N 3.16Å; D27-E30 PolarHBondContact OD1-N 3.28Å; D27-A31 PolarHBondContact O-N 3Å
28	V	94.9	Very high	91.6	Very high	19 Å²	19	69.2 Å²	69.2	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-37	-175.3	176.4	0	0	0	0	111.5	C26 A32 A39 L42 Y61 V67	C26-V28 PolarHBondContact O-N 3.28Å; V28-A32 VanDerWaalsContact O-CB 3.23Å; V28-A32 WeakPolarHBondContact O-CB 3.29Å; V28-A32 PolarHBondContact O-N 3.01Å; V28-A39 HydrophobicContact CG1-CB 4.22Å; V28-L42 HydrophobicContact CG1-CD2 4.22Å; V28-Y61 HydrophobicContact CG2-CD2 4.05Å; V28-Y61 HydrophobicContact CG2-CE2 3.7Å; V28-V67 HydrophobicContact CG2-CG1 3.8Å
29	K	93.3	Very high	91.7	Very high	160 Å²	160	69.7 Å²	69.7	70%	0.696	36%	0.36	S	S	*	.	H	α-helix	trans	-72.9	-36.1	178.7	-57	176.9	179.6	173.4	0	110.7	D27 R33	D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 2.77Å; D27-K29 WeakPolarHBondContact OD1-CA 3.32Å; D27-K29 WeakPolarHBondContact OD1-CB 3.36Å; D27-K29 PolarHBondContact OD1-N 2.99Å; K29-R33 VanDerWaalsContact O-CB 3.32Å; K29-R33 WeakPolarHBondContact O-CB 3.41Å; K29-R33 PolarHBondContact O-N 3.42Å
30	E	94.8	Very high	91.9	Very high	95 Å²	95	77.9 Å²	77.9	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-48.9	172.8	-175.3	177.2	-172.2	0	0	111.5	D27 R33 K34	D27-E30 HydrophobicContact CB-CB 4.09Å; D27-E30 WeakPolarHBondContact O-CB 3.25Å; D27-E30 PolarHBondContact O-N 3.32Å; D27-E30 VanDerWaalsContact O-N 3.16Å; D27-E30 PolarHBondContact OD1-N 3.28Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-K34 WeakPolarHBondContact O-CB 3.39Å; E30-K34 PolarHBondContact O-N 3.09Å
31	A	95.7	Very high	92.4	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176.3	0	0	0	0	0	111.5	F15 F18 D27 R33 K34 I35 L42 V67	F15-A31 HydrophobicContact CE2-CB 4.06Å; F18-A31 HydrophobicContact CE1-CB 4.18Å; D27-A31 PolarHBondContact O-N 3Å; A31-R33 VanDerWaalsContact C-N 3.34Å; A31-R33 PolarHBondContact O-N 3.27Å; A31-K34 WeakPolarHBondContact O-CB 3.44Å; A31-K34 PolarHBondContact O-N 3.39Å; A31-K34 VanDerWaalsContact O-N 3.1Å; A31-I35 WeakPolarHBondContact O-CG1 3.32Å; A31-I35 PolarHBondContact O-N 3.02Å; A31-L42 HydrophobicContact CB-CD2 3.84Å; A31-V67 HydrophobicContact CB-CG2 3.89Å
32	A	96	Very high	92.9	Very high	4 Å²	4	74 Å²	74	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-42.8	178.2	0	0	0	0	0	112.1	V28 K34 I35 D36 C37 L42	V28-A32 VanDerWaalsContact O-CB 3.23Å; V28-A32 WeakPolarHBondContact O-CB 3.29Å; V28-A32 PolarHBondContact O-N 3.01Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.38Å; A32-I35 CarbonylContact O-C 3.54Å; A32-I35 PolarHBondContact O-N 3.42Å; A32-D36 PolarHBondContact O-N 3.11Å; A32-C37 CarbonylContact C-O 3.37Å; A32-C37 WeakPolarHBondContact CB-O 3.46Å; A32-C37 PolarHBondContact O-N 3.13Å; A32-L42 HydrophobicContact CB-CB 4.49Å; A32-L42 HydrophobicContact CB-CD2 4.14Å
33	R	95.6	Very high	93.5	Very high	190 Å²	190	73.7 Å²	73.7	72%	0.717	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-39.1	174.5	-177.9	-174.2	61.8	145.9	-2	111.8	K29 E30 A31 I35 D36	K29-R33 VanDerWaalsContact O-CB 3.32Å; K29-R33 WeakPolarHBondContact O-CB 3.41Å; K29-R33 PolarHBondContact O-N 3.42Å; E30-R33 PolarHBondContact O-N 3.33Å; A31-R33 VanDerWaalsContact C-N 3.34Å; A31-R33 PolarHBondContact O-N 3.27Å; R33-I35 VanDerWaalsContact C-N 3.32Å; R33-D36 PolarHBondContact O-N 3.14Å
34	K	95.2	Very high	94.5	Very high	142 Å²	142	70.4 Å²	70.4	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-67.6	-33.9	179.8	-172.5	61.7	174.2	-178	0	112.6	F18 E30 A31 A32 D36	F18-K34 HydrophobicContact CD1-CG 4.34Å; F18-K34 HydrophobicContact CD2-CG 3.84Å; F18-K34 HydrophobicContact CE1-CB 4.22Å; F18-K34 HydrophobicContact CE1-CG 4.2Å; F18-K34 HydrophobicContact CE2-CB 4.48Å; F18-K34 HydrophobicContact CE2-CD 4.45Å; F18-K34 HydrophobicContact CE2-CG 3.7Å; F18-K34 HydrophobicContact CG-CG 4.16Å; F18-K34 HydrophobicContact CZ-CB 4.15Å; F18-K34 HydrophobicContact CZ-CG 3.87Å; E30-K34 WeakPolarHBondContact O-CB 3.39Å; E30-K34 PolarHBondContact O-N 3.09Å; A31-K34 WeakPolarHBondContact O-CB 3.44Å; A31-K34 PolarHBondContact O-N 3.39Å; A31-K34 VanDerWaalsContact O-N 3.1Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.38Å; K34-D36 VanDerWaalsContact C-N 3.35Å
35	I	94.9	Very high	95.1	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-90.4	-1.7	179	-58.8	-53.5	0	0	0	112.5	R11 Q14 F15 F18 A31 A32 R33	R11-I35 HydrophobicContact CG-CG2 3.39Å; Q14-I35 HydrophobicContact CB-CD1 4.19Å; F15-I35 HydrophobicContact CB-CD1 4.17Å; F15-I35 HydrophobicContact CB-CG1 4Å; F15-I35 HydrophobicContact CB-CG2 4.31Å; F15-I35 HydrophobicContact CD2-CG1 3.93Å; F15-I35 HydrophobicContact CG-CG1 4.32Å; F18-I35 HydrophobicContact CB-CD1 4.04Å; F18-I35 HydrophobicContact CD1-CD1 4.47Å; F18-I35 HydrophobicContact CG-CD1 4.46Å; A31-I35 WeakPolarHBondContact O-CG1 3.32Å; A31-I35 PolarHBondContact O-N 3.02Å; A32-I35 CarbonylContact O-C 3.54Å; A32-I35 PolarHBondContact O-N 3.42Å; R33-I35 VanDerWaalsContact C-N 3.32Å
36	D	94.4	Very high	95.4	Very high	154 Å²	154	64.4 Å²	64.4	82%	0.824	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	49.6	-179.1	-163.4	31.7	0	0	0	112.9	A32 R33 K34	A32-D36 PolarHBondContact O-N 3.11Å; R33-D36 PolarHBondContact O-N 3.14Å; K34-D36 VanDerWaalsContact C-N 3.35Å
37	C	96	Very high	95.6	Very high	28 Å²	28	69.1 Å²	69.1	19%	0.189	35%	0.349	C	S	.	.	S	Bend	trans	-139.8	170.7	177	76.1	0	0	0	0	112.6	A32 T41	A32-C37 CarbonylContact C-O 3.37Å; A32-C37 WeakPolarHBondContact CB-O 3.46Å; A32-C37 PolarHBondContact O-N 3.13Å; C37-T41 HydrophobicContact CB-CG2 4.34Å
38	S	96.2	Very high	95.7	Very high	60 Å²	60	67.3 Å²	67.3	42%	0.42	34%	0.337	S	S	.	.			trans	-76.4	149.3	173.9	83	0	0	0	0	110.8	K40 T41 L42	S38-K40 PolarHBondContact O-N 2.67Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-K40 PolarHBondContact OG-N 3.2Å; S38-T41 WeakPolarHBondContact O-CB 3.47Å; S38-T41 PolarHBondContact O-N 3.38Å; S38-T41 PolarHBondContact OG-N 3.24Å; S38-T41 PolarHBondContact OG-OG1 3.39Å; S38-L42 PolarHBondContact O-N 3.04Å
39	A	94.2	Very high	95.7	Very high	39 Å²	39	66.4 Å²	66.4	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-55.6	-34	174	0	0	0	0	0	112.3	V28 L42 L43	V28-A39 HydrophobicContact CG1-CB 4.22Å; A39-L42 PolarHBondContact O-N 2.98Å; A39-L43 VanDerWaalsContact O-CG 3.31Å; A39-L43 WeakPolarHBondContact O-CG 3.39Å; A39-L43 PolarHBondContact O-N 3.14Å
40	K	95.4	Very high	95.8	Very high	177 Å²	177	60.4 Å²	60.4	77%	0.77	31%	0.307	S	S	*	.	H	α-helix	trans	-64.5	-43.8	175.1	-175.6	179.8	178.7	-178	0	112	S38 L42 L43 S44	S38-K40 PolarHBondContact O-N 2.67Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-K40 PolarHBondContact OG-N 3.2Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L43 PolarHBondContact O-N 3.09Å; K40-S44 PolarHBondContact O-N 2.96Å; K40-S44 VanDerWaalsContact O-N 3.17Å
41	T	97.1	Very high	95.8	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	-53.8	0	0	0	0	110.6	C37 S38 L43 S44 D45	C37-T41 HydrophobicContact CB-CG2 4.34Å; S38-T41 WeakPolarHBondContact O-CB 3.47Å; S38-T41 PolarHBondContact O-N 3.38Å; S38-T41 PolarHBondContact OG-N 3.24Å; S38-T41 PolarHBondContact OG-OG1 3.39Å; T41-L43 VanDerWaalsContact C-N 3.33Å; T41-L43 PolarHBondContact O-N 2.84Å; T41-S44 PolarHBondContact O-N 2.92Å; T41-D45 PolarHBondContact O-N 3.2Å
42	L	96.2	Very high	95.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-42.8	178.5	-162.1	76.3	0	0	0	111.8	F15 V28 A31 A32 S38 A39 K40 D45 I46	F15-L42 HydrophobicContact CD1-CD1 3.74Å; F15-L42 HydrophobicContact CD1-CG 4.4Å; F15-L42 HydrophobicContact CD2-CD1 3.78Å; F15-L42 HydrophobicContact CE1-CD1 3.74Å; F15-L42 HydrophobicContact CE1-CD2 4.49Å; F15-L42 HydrophobicContact CE1-CG 3.92Å; F15-L42 HydrophobicContact CE2-CD1 3.79Å; F15-L42 HydrophobicContact CE2-CD2 4.02Å; F15-L42 HydrophobicContact CE2-CG 4.18Å; F15-L42 HydrophobicContact CG-CD1 3.76Å; F15-L42 HydrophobicContact CZ-CD1 3.76Å; F15-L42 HydrophobicContact CZ-CD2 3.86Å; F15-L42 HydrophobicContact CZ-CG 3.79Å; V28-L42 HydrophobicContact CG1-CD2 4.22Å; A31-L42 HydrophobicContact CB-CD2 3.84Å; A32-L42 HydrophobicContact CB-CB 4.49Å; A32-L42 HydrophobicContact CB-CD2 4.14Å; S38-L42 PolarHBondContact O-N 3.04Å; A39-L42 PolarHBondContact O-N 2.98Å; K40-L42 VanDerWaalsContact C-N 3.34Å; L42-D45 WeakPolarHBondContact O-CB 3.3Å; L42-D45 PolarHBondContact O-N 3Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.27Å
43	L	96	Very high	95.5	Very high	54 Å²	54	67.1 Å²	67.1	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176	-69.3	171.9	0	0	0	112.2	A39 K40 T41 D45 I46 D47 Y61	A39-L43 VanDerWaalsContact O-CG 3.31Å; A39-L43 WeakPolarHBondContact O-CG 3.39Å; A39-L43 PolarHBondContact O-N 3.14Å; K40-L43 PolarHBondContact O-N 3.09Å; T41-L43 VanDerWaalsContact C-N 3.33Å; T41-L43 PolarHBondContact O-N 2.84Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3Å; L43-I46 HydrophobicContact CD2-CD1 4.29Å; L43-I46 WeakPolarHBondContact O-CB 3.32Å; L43-I46 PolarHBondContact O-N 3.29Å; L43-I46 VanDerWaalsContact O-N 3.15Å; L43-D47 PolarHBondContact O-N 2.89Å; L43-Y61 HydrophobicContact CD2-CD1 4.22Å; L43-Y61 HydrophobicContact CD2-CD2 3.92Å; L43-Y61 HydrophobicContact CD2-CE1 3.97Å; L43-Y61 HydrophobicContact CD2-CE2 3.67Å; L43-Y61 HydrophobicContact CD2-CG 4.18Å
44	S	97.2	Very high	95.3	Very high	69 Å²	69	59.3 Å²	59.3	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-32.6	174.5	178.5	0	0	0	0	112.8	K40 T41 Y48	K40-S44 PolarHBondContact O-N 2.96Å; K40-S44 VanDerWaalsContact O-N 3.17Å; T41-S44 PolarHBondContact O-N 2.92Å; S44-Y48 PolarHBondContact O-N 3.39Å; S44-Y48 VanDerWaalsContact O-N 3.12Å
45	D	96.9	Very high	94.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-69.5	-35	173.4	-75.1	-29.3	0	0	0	111.3	R11 R12 T41 L42 L43 Y48 I49	R11-D45 IonicContact CZ-OD1 3.68Å; R11-D45 IonicContact CZ-OD2 3.4Å; R11-D45 VanDerWaalsContact CZ-OD2 3.28Å; R11-D45 IonicContact NE-OD2 3.92Å; R11-D45 PolarHBondContact NE-OD2 3.15Å; R11-D45 IonicContact NH2-OD1 3.21Å; R11-D45 PolarHBondContact NH2-OD1 3.07Å; R11-D45 IonicContact NH2-OD2 2.69Å; R11-D45 PolarHBondContact NH2-OD2 2.84Å; R12-D45 HydrophobicContact CG-CB 3.93Å; R12-D45 WeakPolarHBondContact CG-OD1 3.38Å; R12-D45 IonicContact CZ-OD1 3.82Å; R12-D45 IonicContact NE-OD1 3.21Å; R12-D45 PolarHBondContact NE-OD1 3.26Å; R12-D45 IonicContact NH2-OD1 3.35Å; T41-D45 PolarHBondContact O-N 3.2Å; L42-D45 WeakPolarHBondContact O-CB 3.3Å; L42-D45 PolarHBondContact O-N 3Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3Å; D45-Y48 PolarHBondContact O-N 3.34Å; D45-I49 WeakPolarHBondContact O-CB 3.48Å; D45-I49 VanDerWaalsContact O-CD1 3.31Å; D45-I49 WeakPolarHBondContact O-CD1 3.37Å; D45-I49 WeakPolarHBondContact O-CG1 3.47Å; D45-I49 PolarHBondContact O-N 3.35Å
46	I	96.5	Very high	94.6	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-47	172.4	-67.7	169	0	0	0	110.6	F15 L42 L43 Y48 I49 N50 I59 V67	F15-I46 HydrophobicContact CE1-CD1 4.22Å; F15-I46 HydrophobicContact CE1-CG1 3.64Å; F15-I46 HydrophobicContact CZ-CD1 4.27Å; F15-I46 HydrophobicContact CZ-CG1 4.18Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.27Å; L43-I46 HydrophobicContact CD2-CD1 4.29Å; L43-I46 WeakPolarHBondContact O-CB 3.32Å; L43-I46 PolarHBondContact O-N 3.29Å; L43-I46 VanDerWaalsContact O-N 3.15Å; I46-Y48 VanDerWaalsContact C-N 3.33Å; I46-Y48 PolarHBondContact O-N 3.41Å; I46-I49 PolarHBondContact O-N 3.28Å; I46-N50 WeakPolarHBondContact O-CB 3.4Å; I46-N50 PolarHBondContact O-N 2.85Å; I46-I59 HydrophobicContact CD1-CG2 4.14Å; I46-I59 HydrophobicContact CG1-CB 4.49Å; I46-I59 HydrophobicContact CG1-CG2 3.93Å; I46-I59 HydrophobicContact CG2-CB 4.18Å; I46-I59 HydrophobicContact CG2-CG2 4.14Å; I46-V67 HydrophobicContact CD1-CG1 3.57Å
47	D	96.9	Very high	94.4	Very high	107 Å²	107	54.6 Å²	54.6	57%	0.572	29%	0.292	S	S	*	.	H	α-helix	trans	-57.5	-48.7	178	-64.6	-29.2	0	0	0	110.5	L43 I49 N50 E51	L43-D47 PolarHBondContact O-N 2.89Å; D47-I49 PolarHBondContact O-N 3.4Å; D47-N50 PolarHBondContact O-N 2.87Å; D47-E51 WeakPolarHBondContact O-CB 3.36Å; D47-E51 PolarHBondContact O-N 3.36Å
48	Y	96.9	Very high	94.2	Very high	47 Å²	47	58.6 Å²	58.6	18%	0.184	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176.1	179.3	-83.1	0	0	0	112.4	R12 S44 D45 I46 N50 E51 F52 W53	R12-Y48 VanDerWaalsContact CZ-CG 3.42Å; R12-Y48 VanDerWaalsContact NH1-CD1 3.35Å; R12-Y48 VanDerWaalsContact NH1-CE2 3.31Å; S44-Y48 PolarHBondContact O-N 3.39Å; S44-Y48 VanDerWaalsContact O-N 3.12Å; D45-Y48 PolarHBondContact O-N 3.34Å; I46-Y48 VanDerWaalsContact C-N 3.33Å; I46-Y48 PolarHBondContact O-N 3.41Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.69Å; Y48-E51 PolarHBondContact O-N 2.86Å; Y48-F52 HydrophobicContact CD1-CD2 4.15Å; Y48-F52 AromaticContact CD2-CD2 3.26Å; Y48-F52 HydrophobicContact CD2-CD2 3.26Å; Y48-F52 AromaticContact CD2-CE2 3.48Å; Y48-F52 HydrophobicContact CD2-CE2 3.48Å; Y48-F52 VanDerWaalsContact CD2-CE2 3.48Å; Y48-F52 HydrophobicContact CD2-CG 4.28Å; Y48-F52 HydrophobicContact CE1-CB 4.16Å; Y48-F52 HydrophobicContact CE1-CD2 4.19Å; Y48-F52 HydrophobicContact CE1-CG 4.44Å; Y48-F52 HydrophobicContact CE2-CB 4.49Å; Y48-F52 AromaticContact CE2-CD2 3.29Å; Y48-F52 HydrophobicContact CE2-CD2 3.29Å; Y48-F52 AromaticContact CE2-CE2 3.62Å; Y48-F52 HydrophobicContact CE2-CE2 3.62Å; Y48-F52 AromaticContact CE2-CG 3.91Å; Y48-F52 HydrophobicContact CE2-CG 3.91Å; Y48-F52 HydrophobicContact CE2-CZ 4.44Å; Y48-F52 AromaticContact CG-CD2 3.71Å; Y48-F52 HydrophobicContact CG-CD2 3.71Å; Y48-F52 HydrophobicContact CG-CE2 4.27Å; Y48-F52 AromaticContact CZ-CD2 3.77Å; Y48-F52 AromaticContact CZ-CG 3.99Å; Y48-F52 VanDerWaalsContact O-CD2 3.29Å; Y48-F52 WeakPolarHBondContact O-CD2 3.42Å; Y48-F52 PolarHBondContact O-N 3.18Å; Y48-W53 HydrophobicContact CE1-CZ2 4.14Å
49	I	94.9	Very high	94.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-43.7	-178	-71.6	162.4	0	0	0	110.3	R12 F15 V16 D45 I46 D47 E51 W53 G54 I57 I59	R12-I49 HydrophobicContact CB-CD1 4.17Å; R12-I49 HydrophobicContact CB-CG1 4.37Å; R12-I49 HydrophobicContact CG-CD1 4.33Å; R12-I49 HydrophobicContact CG-CG1 4.44Å; F15-I49 HydrophobicContact CD1-CD1 4.05Å; V16-I49 HydrophobicContact CG2-CD1 3.82Å; V16-I49 HydrophobicContact CG2-CG1 4.47Å; V16-I49 HydrophobicContact CG2-CG2 4.37Å; D45-I49 WeakPolarHBondContact O-CB 3.48Å; D45-I49 VanDerWaalsContact O-CD1 3.31Å; D45-I49 WeakPolarHBondContact O-CD1 3.37Å; D45-I49 WeakPolarHBondContact O-CG1 3.47Å; D45-I49 PolarHBondContact O-N 3.35Å; I46-I49 PolarHBondContact O-N 3.28Å; D47-I49 PolarHBondContact O-N 3.4Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.04Å; I49-W53 HydrophobicContact CB-CE3 4.25Å; I49-W53 HydrophobicContact CD1-CZ3 4.4Å; I49-W53 HydrophobicContact CG1-CD2 4.5Å; I49-W53 HydrophobicContact CG1-CE3 3.67Å; I49-W53 HydrophobicContact CG1-CZ3 3.85Å; I49-W53 HydrophobicContact CG2-CB 4.42Å; I49-W53 HydrophobicContact CG2-CE3 4.03Å; I49-W53 CarbonylContact O-C 3.57Å; I49-W53 VanDerWaalsContact O-CA 3.25Å; I49-W53 WeakPolarHBondContact O-CA 3.44Å; I49-W53 VanDerWaalsContact O-CB 3.32Å; I49-W53 WeakPolarHBondContact O-CB 3.26Å; I49-W53 PolarHBondContact O-N 3.42Å; I49-G54 PolarHBondContact O-N 2.72Å; I49-I57 HydrophobicContact CG2-CD1 3.95Å; I49-I57 HydrophobicContact CG2-CG1 4.22Å; I49-I59 HydrophobicContact CB-CD1 4.27Å; I49-I59 HydrophobicContact CD1-CD1 3.62Å; I49-I59 HydrophobicContact CG2-CD1 3.84Å; I49-I59 HydrophobicContact CG2-CG1 4.09Å
50	N	94.4	Very high	94	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-30.8	180	-71.7	-12	0	0	0	112.7	I46 D47 Y48 G54 Y58 I59	I46-N50 WeakPolarHBondContact O-CB 3.4Å; I46-N50 PolarHBondContact O-N 2.85Å; D47-N50 PolarHBondContact O-N 2.87Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.69Å; N50-G54 VanDerWaalsContact O-CA 3.28Å; N50-G54 WeakPolarHBondContact O-CA 3.21Å; N50-Y58 HydrophobicContact CB-CD2 4.07Å; N50-Y58 HydrophobicContact CB-CE2 3.88Å; N50-Y58 WeakPolarHBondContact OD1-CD2 3.25Å; N50-I59 PolarHBondContact ND2-O 3.47Å; N50-I59 PolarHBondContact OD1-N 3.36Å
51	E	95.5	Very high	93.9	Very high	143 Å²	143	52.1 Å²	52.1	67%	0.668	26%	0.259	S	S	*	.	H	α-helix	trans	-75.9	-48.6	177.2	-176.4	174.8	-172.6	0	0	112.2	D47 Y48 I49	D47-E51 WeakPolarHBondContact O-CB 3.36Å; D47-E51 PolarHBondContact O-N 3.36Å; Y48-E51 PolarHBondContact O-N 2.86Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.04Å
52	F	93.6	Very high	93.7	Very high	95 Å²	95	51 Å²	51	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-99.4	-27.1	-169.8	-64.3	-78.5	0	0	0	113.8	Y48	Y48-F52 HydrophobicContact CD1-CD2 4.15Å; Y48-F52 AromaticContact CD2-CD2 3.26Å; Y48-F52 HydrophobicContact CD2-CD2 3.26Å; Y48-F52 AromaticContact CD2-CE2 3.48Å; Y48-F52 HydrophobicContact CD2-CE2 3.48Å; Y48-F52 VanDerWaalsContact CD2-CE2 3.48Å; Y48-F52 HydrophobicContact CD2-CG 4.28Å; Y48-F52 HydrophobicContact CE1-CB 4.16Å; Y48-F52 HydrophobicContact CE1-CD2 4.19Å; Y48-F52 HydrophobicContact CE1-CG 4.44Å; Y48-F52 HydrophobicContact CE2-CB 4.49Å; Y48-F52 AromaticContact CE2-CD2 3.29Å; Y48-F52 HydrophobicContact CE2-CD2 3.29Å; Y48-F52 AromaticContact CE2-CE2 3.62Å; Y48-F52 HydrophobicContact CE2-CE2 3.62Å; Y48-F52 AromaticContact CE2-CG 3.91Å; Y48-F52 HydrophobicContact CE2-CG 3.91Å; Y48-F52 HydrophobicContact CE2-CZ 4.44Å; Y48-F52 AromaticContact CG-CD2 3.71Å; Y48-F52 HydrophobicContact CG-CD2 3.71Å; Y48-F52 HydrophobicContact CG-CE2 4.27Å; Y48-F52 AromaticContact CZ-CD2 3.77Å; Y48-F52 AromaticContact CZ-CG 3.99Å; Y48-F52 VanDerWaalsContact O-CD2 3.29Å; Y48-F52 WeakPolarHBondContact O-CD2 3.42Å; Y48-F52 PolarHBondContact O-N 3.18Å
53	W	92.3	Very high	93.4	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	29%	0.29	C	S	.	.	S	Bend	trans	-111.8	4.7	179.1	-53.4	-19.5	0	0	0	112.4	R12 I13 V16 Y48 I49 D55 Y56 I57 V80 I84	R12-W53 HydrophobicContact CB-CH2 3.62Å; R12-W53 HydrophobicContact CB-CZ3 3.81Å; I13-W53 HydrophobicContact CG1-CH2 3.96Å; V16-W53 HydrophobicContact CG2-CE3 4.39Å; V16-W53 HydrophobicContact CG2-CZ3 4.16Å; Y48-W53 HydrophobicContact CE1-CZ2 4.14Å; I49-W53 HydrophobicContact CB-CE3 4.25Å; I49-W53 HydrophobicContact CD1-CZ3 4.4Å; I49-W53 HydrophobicContact CG1-CD2 4.5Å; I49-W53 HydrophobicContact CG1-CE3 3.67Å; I49-W53 HydrophobicContact CG1-CZ3 3.85Å; I49-W53 HydrophobicContact CG2-CB 4.42Å; I49-W53 HydrophobicContact CG2-CE3 4.03Å; I49-W53 CarbonylContact O-C 3.57Å; I49-W53 VanDerWaalsContact O-CA 3.25Å; I49-W53 WeakPolarHBondContact O-CA 3.44Å; I49-W53 VanDerWaalsContact O-CB 3.32Å; I49-W53 WeakPolarHBondContact O-CB 3.26Å; I49-W53 PolarHBondContact O-N 3.42Å; W53-D55 VanDerWaalsContact C-N 3.28Å; W53-D55 PolarHBondContact O-N 2.86Å; W53-Y56 PolarHBondContact O-N 2.83Å; W53-I57 CarbonylContact C-O 3.51Å; W53-I57 HydrophobicContact CB-CD1 4.06Å; W53-I57 HydrophobicContact CB-CG1 3.75Å; W53-I57 HydrophobicContact CE3-CD1 3.86Å; W53-I57 WeakPolarHBondContact O-CG1 3.43Å; W53-I57 PolarHBondContact O-N 2.98Å; W53-I57 VanDerWaalsContact O-O 3.12Å; W53-V80 HydrophobicContact CB-CG1 4.4Å; W53-V80 HydrophobicContact CB-CG2 4.4Å; W53-V80 HydrophobicContact CD2-CG1 3.56Å; W53-V80 HydrophobicContact CE3-CG1 3.66Å; W53-V80 HydrophobicContact CG-CG1 3.9Å; W53-V80 HydrophobicContact CH2-CG1 4.43Å; W53-V80 HydrophobicContact CZ2-CG1 4.37Å; W53-V80 HydrophobicContact CZ3-CG1 4.1Å; W53-I84 HydrophobicContact CH2-CD1 4.24Å; W53-I84 HydrophobicContact CZ2-CD1 4Å; W53-I84 HydrophobicContact CZ2-CG1 3.98Å
54	G	90.6	Very high	93.1	Very high	27 Å²	27	66.4 Å²	66.4	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33	-173.5	0	0	0	0	0	115.6	I49 N50 Y56 I57	I49-G54 PolarHBondContact O-N 2.72Å; N50-G54 VanDerWaalsContact O-CA 3.28Å; N50-G54 WeakPolarHBondContact O-CA 3.21Å; G54-Y56 PolarHBondContact O-N 2.57Å; G54-I57 VanDerWaalsContact CA-O 3.23Å; G54-I57 WeakPolarHBondContact CA-O 3.31Å
55	D	87.7	Confident	92.7	Very high	138 Å²	138	68.4 Å²	68.4	74%	0.738	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.9	177.8	-69.5	-19.2	0	0	0	112.5	W53 K76	W53-D55 VanDerWaalsContact C-N 3.28Å; W53-D55 PolarHBondContact O-N 2.86Å; D55-K76 PolarHBondContact O-NZ 2.79Å
56	Y	88.5	Confident	92.6	Very high	71 Å²	71	68.5 Å²	68.5	28%	0.278	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-41	-175.3	-58.2	-53	0	0	0	113.4	W53 G54 K76 N79 L83	W53-Y56 PolarHBondContact O-N 2.83Å; G54-Y56 PolarHBondContact O-N 2.57Å; Y56-K76 HydrophobicContact CD1-CD 4.24Å; Y56-K76 VanDerWaalsContact O-CD 3.32Å; Y56-K76 WeakPolarHBondContact O-CD 3.33Å; Y56-N79 HydrophobicContact CD1-CB 3.53Å; Y56-N79 VanDerWaalsContact CD1-ND2 3.32Å; Y56-N79 WeakPolarHBondContact CD1-ND2 3.3Å; Y56-N79 HydrophobicContact CD2-CB 3.67Å; Y56-N79 HydrophobicContact CE1-CB 3.55Å; Y56-N79 WeakPolarHBondContact CE1-ND2 3.47Å; Y56-N79 HydrophobicContact CE2-CB 3.68Å; Y56-N79 HydrophobicContact CG-CB 3.6Å; Y56-L83 HydrophobicContact CD2-CD1 3.88Å; Y56-L83 HydrophobicContact CD2-CG 4.49Å; Y56-L83 HydrophobicContact CE2-CD1 3.76Å; Y56-L83 HydrophobicContact CE2-CD2 4.42Å; Y56-L83 HydrophobicContact CE2-CG 4.04Å
57	I	90	Very high	92.5	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.32	C	S	.	.			trans	-141	143.1	-177.3	54.9	170.6	0	0	0	110.4	V16 I49 W53 G54 L69 M77 V80	V16-I57 HydrophobicContact CB-CD1 4.41Å; V16-I57 HydrophobicContact CG1-CD1 3.71Å; V16-I57 HydrophobicContact CG2-CD1 3.77Å; I49-I57 HydrophobicContact CG2-CD1 3.95Å; I49-I57 HydrophobicContact CG2-CG1 4.22Å; W53-I57 CarbonylContact C-O 3.51Å; W53-I57 HydrophobicContact CB-CD1 4.06Å; W53-I57 HydrophobicContact CB-CG1 3.75Å; W53-I57 HydrophobicContact CE3-CD1 3.86Å; W53-I57 WeakPolarHBondContact O-CG1 3.43Å; W53-I57 PolarHBondContact O-N 2.98Å; W53-I57 VanDerWaalsContact O-O 3.12Å; G54-I57 VanDerWaalsContact CA-O 3.23Å; G54-I57 WeakPolarHBondContact CA-O 3.31Å; I57-L69 HydrophobicContact CB-CD1 4.15Å; I57-M77 HydrophobicContact CG2-CE 4.11Å; I57-V80 HydrophobicContact CD1-CG1 4.27Å; I57-V80 HydrophobicContact CD1-CG2 3.76Å; I57-V80 HydrophobicContact CG1-CG2 3.8Å; I57-V80 HydrophobicContact CG2-CG2 4.15Å
58	Y	91.4	Very high	92.3	Very high	113 Å²	113	67.8 Å²	67.8	44%	0.443	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.1	176.8	-171.8	-99.2	0	0	0	109.7	N50 E60 N70	N50-Y58 HydrophobicContact CB-CD2 4.07Å; N50-Y58 HydrophobicContact CB-CE2 3.88Å; N50-Y58 WeakPolarHBondContact OD1-CD2 3.25Å; Y58-E60 HydrophobicContact CD1-CG 3.93Å; Y58-E60 HydrophobicContact CE1-CG 3.89Å; Y58-N70 HydrophobicContact CD1-CB 4.41Å; Y58-N70 WeakPolarHBondContact O-CA 3.47Å; Y58-N70 WeakPolarHBondContact O-CB 3.48Å; Y58-N70 PolarHBondContact O-N 2.86Å
59	I	93.2	Very high	92	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.2	173.8	-61	176.8	0	0	0	108.2	F15 V16 L19 I46 I49 N50 V67 R68 L69	F15-I59 HydrophobicContact CD1-CD1 4Å; F15-I59 HydrophobicContact CE1-CD1 3.67Å; F15-I59 HydrophobicContact CZ-CD1 4.35Å; V16-I59 HydrophobicContact CG2-CD1 4.25Å; L19-I59 HydrophobicContact CD1-CD1 3.99Å; L19-I59 HydrophobicContact CD1-CG1 4.18Å; L19-I59 HydrophobicContact CD1-CG2 3.99Å; I46-I59 HydrophobicContact CD1-CG2 4.14Å; I46-I59 HydrophobicContact CG1-CB 4.49Å; I46-I59 HydrophobicContact CG1-CG2 3.93Å; I46-I59 HydrophobicContact CG2-CB 4.18Å; I46-I59 HydrophobicContact CG2-CG2 4.14Å; I49-I59 HydrophobicContact CB-CD1 4.27Å; I49-I59 HydrophobicContact CD1-CD1 3.62Å; I49-I59 HydrophobicContact CG2-CD1 3.84Å; I49-I59 HydrophobicContact CG2-CG1 4.09Å; N50-I59 PolarHBondContact ND2-O 3.47Å; N50-I59 PolarHBondContact OD1-N 3.36Å; I59-V67 HydrophobicContact CG2-CB 4.48Å; I59-R68 WeakPolarHBondContact CA-O 3.39Å; I59-L69 HydrophobicContact CG1-CD1 3.8Å
60	E	93.3	Very high	91.4	Very high	37 Å²	37	69 Å²	69	17%	0.173	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	139.2	170.7	-69.1	178.9	-144.4	0	0	110.3	W25 Y58 V67 R68 N70	W25-E60 HydrophobicContact CH2-CB 3.76Å; W25-E60 HydrophobicContact CZ3-CB 4.14Å; Y58-E60 HydrophobicContact CD1-CG 3.93Å; Y58-E60 HydrophobicContact CE1-CG 3.89Å; E60-V67 WeakPolarHBondContact O-CA 3.35Å; E60-R68 HydrophobicContact CB-CG 3.89Å; E60-R68 VanDerWaalsContact CD-NE 3.31Å; E60-R68 VanDerWaalsContact CD-NH2 3.34Å; E60-R68 PolarHBondContact N-O 3.3Å; E60-R68 PolarHBondContact O-N 2.71Å; E60-R68 IonicContact OE1-CZ 3.87Å; E60-R68 IonicContact OE1-NE 3.28Å; E60-R68 IonicContact OE1-NH2 3.76Å; E60-R68 PolarHBondContact OE1-NH2 3.46Å; E60-R68 IonicContact OE2-CZ 3.87Å; E60-R68 IonicContact OE2-NE 2.93Å; E60-R68 PolarHBondContact OE2-NE 2.74Å; E60-R68 IonicContact OE2-NH2 2.79Å; E60-R68 PolarHBondContact OE2-NH2 3.23Å; E60-N70 HydrophobicContact CG-CB 4Å; E60-N70 VanDerWaalsContact OE1-CB 3.3Å; E60-N70 WeakPolarHBondContact OE1-CB 3.4Å; E60-N70 VanDerWaalsContact OE1-CG 3.28Å; E60-N70 PolarHBondContact OE1-ND2 2.77Å
61	Y	93.9	Very high	89.9	Confident	103 Å²	103	69.5 Å²	69.5	40%	0.404	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.8	175.6	168.5	-115.7	0	0	0	110.5	V28 L43 K63 V67	V28-Y61 HydrophobicContact CG2-CD2 4.05Å; V28-Y61 HydrophobicContact CG2-CE2 3.7Å; L43-Y61 HydrophobicContact CD2-CD1 4.22Å; L43-Y61 HydrophobicContact CD2-CD2 3.92Å; L43-Y61 HydrophobicContact CD2-CE1 3.97Å; L43-Y61 HydrophobicContact CD2-CE2 3.67Å; L43-Y61 HydrophobicContact CD2-CG 4.18Å; Y61-K63 HydrophobicContact CE1-CG 4.35Å; Y61-V67 HydrophobicContact CD2-CG1 3.94Å
62	S	92.6	Very high	88.2	Confident	23 Å²	23	69.1 Å²	69.1	16%	0.161	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.3	175.4	171.1	0	0	0	0	108.8	F64 Q65 G66	S62-F64 PolarHBondContact O-N 2.97Å; S62-F64 VanDerWaalsContact O-N 3.13Å; S62-F64 PolarHBondContact OG-N 3.11Å; S62-Q65 PolarHBondContact OG-N 2.77Å; S62-Q65 VanDerWaalsContact OG-N 3.14Å; S62-G66 PolarHBondContact N-O 3.24Å; S62-G66 WeakPolarHBondContact O-CA 3.41Å; S62-G66 PolarHBondContact O-N 3.37Å; S62-G66 VanDerWaalsContact O-O 3.08Å
63	K	89.2	Confident	86.3	Confident	178 Å²	178	67.4 Å²	67.4	77%	0.774	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.2	177	-70.2	-177.1	-179.5	177.7	0	113.1	Y61	Y61-K63 HydrophobicContact CE1-CG 4.35Å
64	F	89.2	Confident	84.7	Confident	200 Å²	200	69.4 Å²	69.4	88%	0.877	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-37.3	-176	-59.3	-74.5	0	0	0	112.8	S62	S62-F64 PolarHBondContact O-N 2.97Å; S62-F64 VanDerWaalsContact O-N 3.13Å; S62-F64 PolarHBondContact OG-N 3.11Å
65	Q	89	Confident	83.5	Confident	112 Å²	112	75 Å²	75	52%	0.523	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-25.6	-177.1	-60.8	171.1	-58.4	0	0	112.4	W25 S62	W25-Q65 HydrophobicContact CB-CB 4.28Å; W25-Q65 WeakPolarHBondContact CB-O 3.5Å; W25-Q65 HydrophobicContact CD2-CB 3.53Å; W25-Q65 HydrophobicContact CE3-CB 3.76Å; W25-Q65 HydrophobicContact CG-CB 3.8Å; W25-Q65 HydrophobicContact CZ2-CB 4.4Å; W25-Q65 HydrophobicContact CZ3-CB 4.31Å; S62-Q65 PolarHBondContact OG-N 2.77Å; S62-Q65 VanDerWaalsContact OG-N 3.14Å
66	G	94.7	Very high	83.2	Confident	3 Å²	3	71.6 Å²	71.6	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.1	-134.1	-179	0	0	0	0	0	112.7	W25 C26 S62	W25-G66 WeakPolarHBondContact CZ3-O 3.48Å; C26-G66 CarbonylContact O-C 3.56Å; C26-G66 VanDerWaalsContact O-CA 3.31Å; C26-G66 WeakPolarHBondContact O-CA 3.35Å; S62-G66 PolarHBondContact N-O 3.24Å; S62-G66 WeakPolarHBondContact O-CA 3.41Å; S62-G66 PolarHBondContact O-N 3.37Å; S62-G66 VanDerWaalsContact O-O 3.08Å
67	V	95.1	Very high	83.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.8	-179.6	-68.2	0	0	0	0	111.2	F15 L19 C26 V28 A31 I46 I59 E60 Y61	F15-V67 HydrophobicContact CE2-CG2 4.3Å; F15-V67 HydrophobicContact CZ-CB 4.49Å; F15-V67 HydrophobicContact CZ-CG2 4.22Å; L19-V67 HydrophobicContact CD2-CG2 3.97Å; C26-V67 HydrophobicContact CB-CG2 4.37Å; C26-V67 PolarHBondContact N-O 3.48Å; C26-V67 WeakPolarHBondContact O-CG2 3.44Å; C26-V67 PolarHBondContact O-N 2.75Å; V28-V67 HydrophobicContact CG2-CG1 3.8Å; A31-V67 HydrophobicContact CB-CG2 3.89Å; I46-V67 HydrophobicContact CD1-CG1 3.57Å; I59-V67 HydrophobicContact CG2-CB 4.48Å; E60-V67 WeakPolarHBondContact O-CA 3.35Å; Y61-V67 HydrophobicContact CD2-CG1 3.94Å
68	R	92.1	Very high	83	Confident	96 Å²	96	69.9 Å²	69.9	36%	0.362	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.7	169	70	174.7	177.1	179	5.8	110.9	W25 I59 E60 N70	W25-R68 HydrophobicContact CD2-CB 4.04Å; W25-R68 HydrophobicContact CD2-CG 3.85Å; W25-R68 HydrophobicContact CE3-CB 4Å; W25-R68 HydrophobicContact CE3-CG 3.83Å; W25-R68 HydrophobicContact CG-CB 4.38Å; W25-R68 HydrophobicContact CH2-CG 3.95Å; W25-R68 HydrophobicContact CZ2-CG 3.97Å; W25-R68 HydrophobicContact CZ3-CB 4.45Å; W25-R68 HydrophobicContact CZ3-CG 3.88Å; I59-R68 WeakPolarHBondContact CA-O 3.39Å; E60-R68 HydrophobicContact CB-CG 3.89Å; E60-R68 VanDerWaalsContact CD-NE 3.31Å; E60-R68 VanDerWaalsContact CD-NH2 3.34Å; E60-R68 PolarHBondContact N-O 3.3Å; E60-R68 PolarHBondContact O-N 2.71Å; E60-R68 IonicContact OE1-CZ 3.87Å; E60-R68 IonicContact OE1-NE 3.28Å; E60-R68 IonicContact OE1-NH2 3.76Å; E60-R68 PolarHBondContact OE1-NH2 3.46Å; E60-R68 IonicContact OE2-CZ 3.87Å; E60-R68 IonicContact OE2-NE 2.93Å; E60-R68 PolarHBondContact OE2-NE 2.74Å; E60-R68 IonicContact OE2-NH2 2.79Å; E60-R68 PolarHBondContact OE2-NH2 3.23Å; R68-N70 PolarHBondContact O-N 2.85Å
69	L	90.1	Very high	82.9	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.8	171	-175.3	64.9	0	0	0	108.5	V16 L19 D20 I57 I59 N71	V16-L69 HydrophobicContact CG1-CD1 4.44Å; V16-L69 HydrophobicContact CG1-CD2 4.11Å; L19-L69 HydrophobicContact CB-CB 3.67Å; L19-L69 HydrophobicContact CB-CD2 4.47Å; L19-L69 HydrophobicContact CD1-CB 4.28Å; D20-L69 HydrophobicContact CB-CD2 3.82Å; I57-L69 HydrophobicContact CB-CD1 4.15Å; I59-L69 HydrophobicContact CG1-CD1 3.8Å; L69-N71 VanDerWaalsContact C-N 3.26Å; L69-N71 VanDerWaalsContact CD2-ND2 3.28Å; L69-N71 WeakPolarHBondContact CD2-ND2 3.34Å; L69-N71 WeakPolarHBondContact CD2-OD1 3.25Å; L69-N71 VanDerWaalsContact CG-OD1 3.25Å; L69-N71 WeakPolarHBondContact CG-OD1 3.43Å; L69-N71 PolarHBondContact O-N 3.15Å
70	N	83.4	Confident	82.8	Confident	53 Å²	53	68 Å²	68	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	83.6	169.8	-172.6	-12.4	0	0	0	108.7	Y58 E60 R68 I72	Y58-N70 HydrophobicContact CD1-CB 4.41Å; Y58-N70 WeakPolarHBondContact O-CA 3.47Å; Y58-N70 WeakPolarHBondContact O-CB 3.48Å; Y58-N70 PolarHBondContact O-N 2.86Å; E60-N70 HydrophobicContact CG-CB 4Å; E60-N70 VanDerWaalsContact OE1-CB 3.3Å; E60-N70 WeakPolarHBondContact OE1-CB 3.4Å; E60-N70 VanDerWaalsContact OE1-CG 3.28Å; E60-N70 PolarHBondContact OE1-ND2 2.77Å; R68-N70 PolarHBondContact O-N 2.85Å; N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 3.17Å; N70-I72 VanDerWaalsContact O-N 3.09Å; N70-I72 WeakPolarHBondContact OD1-CG1 3.44Å
71	N	63.6	Low	82.8	Confident	46 Å²	46	66.3 Å²	66.3	25%	0.246	33%	0.329	C	S	.	.			trans	-80.6	81.2	172.4	-78.8	-33.3	0	0	0	109.4	D20 L69 T73	D20-N71 PolarHBondContact OD1-ND2 3.09Å; L69-N71 VanDerWaalsContact C-N 3.26Å; L69-N71 VanDerWaalsContact CD2-ND2 3.28Å; L69-N71 WeakPolarHBondContact CD2-ND2 3.34Å; L69-N71 WeakPolarHBondContact CD2-OD1 3.25Å; L69-N71 VanDerWaalsContact CG-OD1 3.25Å; L69-N71 WeakPolarHBondContact CG-OD1 3.43Å; L69-N71 PolarHBondContact O-N 3.15Å; N71-T73 PolarHBondContact O-N 3.23Å
72	I	58.7	Low	82.7	Confident	134 Å²	134	61.9 Å²	61.9	69%	0.687	32%	0.315	S	S	*	.	S	Bend	trans	-53.7	-26.4	167	-62.4	176.5	0	0	0	109.9	N70	N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 3.17Å; N70-I72 VanDerWaalsContact O-N 3.09Å; N70-I72 WeakPolarHBondContact OD1-CG1 3.44Å
73	T	54.8	Low	82.7	Confident	60 Å²	60	62.8 Å²	62.8	37%	0.368	32%	0.317	S	S	.	.			trans	-154	107.8	169.7	48.3	0	0	0	0	110.3	N71 N75 K76	N71-T73 PolarHBondContact O-N 3.23Å; T73-N75 PolarHBondContact O-N 3.14Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-K76 WeakPolarHBondContact OG1-CD 3.27Å; T73-K76 WeakPolarHBondContact OG1-CE 3.46Å; T73-K76 WeakPolarHBondContact OG1-CG 3.48Å
74	S	57.1	Low	83	Confident	43 Å²	43	54.5 Å²	54.5	30%	0.301	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-53.7	-22.6	176.7	48.4	0	0	0	0	115	K76	S74-K76 PolarHBondContact O-N 2.87Å
75	N	66.4	Low	83.2	Confident	144 Å²	144	45 Å²	45	77%	0.77	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-79.9	-0.1	-176.7	-65.2	-12.9	0	0	0	114	T73	T73-N75 PolarHBondContact O-N 3.14Å
76	K	80.2	Confident	83.4	Confident	66 Å²	66	42.6 Å²	42.6	29%	0.287	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-85.6	-4.5	-179	-72.5	-176.3	179.6	-180	0	114.8	D55 Y56 T73 S74 G78 N79 V80	D55-K76 PolarHBondContact O-NZ 2.79Å; Y56-K76 HydrophobicContact CD1-CD 4.24Å; Y56-K76 VanDerWaalsContact O-CD 3.32Å; Y56-K76 WeakPolarHBondContact O-CD 3.33Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-K76 WeakPolarHBondContact OG1-CD 3.27Å; T73-K76 WeakPolarHBondContact OG1-CE 3.46Å; T73-K76 WeakPolarHBondContact OG1-CG 3.48Å; S74-K76 PolarHBondContact O-N 2.87Å; K76-G78 PolarHBondContact O-N 2.9Å; K76-N79 WeakPolarHBondContact O-CB 3.37Å; K76-N79 PolarHBondContact O-N 2.76Å; K76-V80 PolarHBondContact O-N 3.37Å
77	M	86.8	Confident	83.1	Confident	11 Å²	11	47 Å²	47	5%	0.054	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-35.3	179.6	-161.2	60.3	55.9	0	0	112.4	V16 I57 N79 V80 Y81 Y329	V16-M77 HydrophobicContact CG1-CE 3.3Å; V16-M77 HydrophobicContact CG1-SD 3.66Å; I57-M77 HydrophobicContact CG2-CE 4.11Å; M77-N79 PolarHBondContact O-N 2.94Å; M77-V80 WeakPolarHBondContact O-CB 3.4Å; M77-V80 PolarHBondContact O-N 2.71Å; M77-V80 VanDerWaalsContact O-N 3.09Å; M77-V80 HydrophobicContact SD-CB 4.37Å; M77-V80 HydrophobicContact SD-CG2 4.45Å; M77-Y81 HydrophobicContact CG-CD2 3.94Å; M77-Y81 HydrophobicContact CG-CE2 3.6Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.49Å; M77-Y81 PolarHBondContact O-N 3.15Å; M77-Y81 VanDerWaalsContact O-N 3.07Å; M77-Y81 HydrophobicContact SD-CE2 4.38Å; M77-Y329 HydrophobicContact CB-CE1 4.25Å; M77-Y329 HydrophobicContact CB-CE2 4.26Å; M77-Y329 HydrophobicContact CG-CD2 4.45Å; M77-Y329 HydrophobicContact CG-CE2 3.97Å
78	G	89.1	Confident	83	Confident	27 Å²	27	47.7 Å²	47.7	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-55.5	-36.4	175.2	0	0	0	0	0	113.1	K76 Y81 G82	K76-G78 PolarHBondContact O-N 2.9Å; G78-Y81 PolarHBondContact O-N 2.64Å; G78-G82 PolarHBondContact O-N 2.97Å
79	N	89.5	Confident	83	Confident	70 Å²	70	45.7 Å²	45.7	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-70.7	-36.5	178.4	-56.4	-31.8	0	0	0	112.1	Y56 K76 M77 Y81 G82 L83	Y56-N79 HydrophobicContact CD1-CB 3.53Å; Y56-N79 VanDerWaalsContact CD1-ND2 3.32Å; Y56-N79 WeakPolarHBondContact CD1-ND2 3.3Å; Y56-N79 HydrophobicContact CD2-CB 3.67Å; Y56-N79 HydrophobicContact CE1-CB 3.55Å; Y56-N79 WeakPolarHBondContact CE1-ND2 3.47Å; Y56-N79 HydrophobicContact CE2-CB 3.68Å; Y56-N79 HydrophobicContact CG-CB 3.6Å; K76-N79 WeakPolarHBondContact O-CB 3.37Å; K76-N79 PolarHBondContact O-N 2.76Å; M77-N79 PolarHBondContact O-N 2.94Å; N79-Y81 VanDerWaalsContact C-N 3.31Å; N79-Y81 PolarHBondContact O-N 3.03Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 2.8Å; N79-G82 VanDerWaalsContact O-N 3.14Å; N79-L83 PolarHBondContact O-N 2.91Å
80	V	91.3	Very high	83.2	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.4	173.7	-179.6	0	0	0	0	110	W53 I57 K76 M77 G82 L83 I84	W53-V80 HydrophobicContact CB-CG1 4.4Å; W53-V80 HydrophobicContact CB-CG2 4.4Å; W53-V80 HydrophobicContact CD2-CG1 3.56Å; W53-V80 HydrophobicContact CE3-CG1 3.66Å; W53-V80 HydrophobicContact CG-CG1 3.9Å; W53-V80 HydrophobicContact CH2-CG1 4.43Å; W53-V80 HydrophobicContact CZ2-CG1 4.37Å; W53-V80 HydrophobicContact CZ3-CG1 4.1Å; I57-V80 HydrophobicContact CD1-CG1 4.27Å; I57-V80 HydrophobicContact CD1-CG2 3.76Å; I57-V80 HydrophobicContact CG1-CG2 3.8Å; I57-V80 HydrophobicContact CG2-CG2 4.15Å; K76-V80 PolarHBondContact O-N 3.37Å; M77-V80 WeakPolarHBondContact O-CB 3.4Å; M77-V80 PolarHBondContact O-N 2.71Å; M77-V80 VanDerWaalsContact O-N 3.09Å; M77-V80 HydrophobicContact SD-CB 4.37Å; M77-V80 HydrophobicContact SD-CG2 4.45Å; V80-G82 VanDerWaalsContact C-N 3.33Å; V80-L83 PolarHBondContact O-N 3.45Å; V80-I84 HydrophobicContact CG1-CD1 4.11Å; V80-I84 WeakPolarHBondContact O-CD1 3.25Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.06Å
81	Y	92.1	Very high	83.7	Confident	2 Å²	2	44 Å²	44	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-39.7	172.7	-76.6	-77.7	0	0	0	112.1	I13 E17 M77 G78 N79 L83 I84 Y85 L328 Y329	I13-Y81 HydrophobicContact CD1-CE1 4.05Å; I13-Y81 HydrophobicContact CG2-CE1 4.04Å; I13-Y81 WeakPolarHBondContact CG2-OH 3.34Å; E17-Y81 PolarHBondContact OE1-OH 3.32Å; M77-Y81 HydrophobicContact CG-CD2 3.94Å; M77-Y81 HydrophobicContact CG-CE2 3.6Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.49Å; M77-Y81 PolarHBondContact O-N 3.15Å; M77-Y81 VanDerWaalsContact O-N 3.07Å; M77-Y81 HydrophobicContact SD-CE2 4.38Å; G78-Y81 PolarHBondContact O-N 2.64Å; N79-Y81 VanDerWaalsContact C-N 3.31Å; N79-Y81 PolarHBondContact O-N 3.03Å; Y81-L83 PolarHBondContact O-N 2.87Å; Y81-I84 HydrophobicContact CD1-CD1 4.27Å; Y81-I84 WeakPolarHBondContact O-CB 3.37Å; Y81-I84 PolarHBondContact O-N 3.22Å; Y81-I84 VanDerWaalsContact O-N 3.12Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.24Å; Y81-Y85 PolarHBondContact O-N 3.1Å; Y81-L328 HydrophobicContact CD1-CB 3.75Å; Y81-L328 HydrophobicContact CD1-CD1 4.2Å; Y81-L328 HydrophobicContact CE1-CB 3.86Å; Y81-Y329 AromaticContact CD2-CD1 3.73Å; Y81-Y329 HydrophobicContact CD2-CD1 3.73Å; Y81-Y329 AromaticContact CD2-CD2 3.84Å; Y81-Y329 HydrophobicContact CD2-CD2 3.84Å; Y81-Y329 HydrophobicContact CD2-CE1 4.48Å; Y81-Y329 AromaticContact CD2-CG 3.36Å; Y81-Y329 HydrophobicContact CD2-CG 3.36Å; Y81-Y329 VanDerWaalsContact CE2-CB 3.4Å; Y81-Y329 HydrophobicContact CE2-CD1 4.04Å; Y81-Y329 AromaticContact CE2-CD2 3.24Å; Y81-Y329 HydrophobicContact CE2-CD2 3.24Å; Y81-Y329 HydrophobicContact CE2-CE2 4.03Å; Y81-Y329 AromaticContact CE2-CG 3.27Å; Y81-Y329 HydrophobicContact CE2-CG 3.27Å; Y81-Y329 HydrophobicContact CG-CG 4.14Å; Y81-Y329 AromaticContact CZ-CD2 3.87Å; Y81-Y329 AromaticContact CZ-CG 3.97Å
82	G	92.9	Very high	85.2	Confident	11 Å²	11	44.7 Å²	44.7	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-44.3	173.2	0	0	0	0	0	113.2	G78 N79 V80 I84 Y85 S86 A163	G78-G82 PolarHBondContact O-N 2.97Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 2.8Å; N79-G82 VanDerWaalsContact O-N 3.14Å; V80-G82 VanDerWaalsContact C-N 3.33Å; G82-I84 VanDerWaalsContact C-N 3.33Å; G82-I84 PolarHBondContact O-N 2.93Å; G82-Y85 PolarHBondContact O-N 3.23Å; G82-S86 PolarHBondContact O-N 3.37Å; G82-A163 WeakPolarHBondContact CA-O 3.47Å
83	L	92.4	Very high	86.9	Confident	41 Å²	41	38.3 Å²	38.3	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-46.5	172.4	-66.7	178.7	0	0	0	111.3	Y56 N79 V80 Y81 Y85 S86 E87	Y56-L83 HydrophobicContact CD2-CD1 3.88Å; Y56-L83 HydrophobicContact CD2-CG 4.49Å; Y56-L83 HydrophobicContact CE2-CD1 3.76Å; Y56-L83 HydrophobicContact CE2-CD2 4.42Å; Y56-L83 HydrophobicContact CE2-CG 4.04Å; N79-L83 PolarHBondContact O-N 2.91Å; V80-L83 PolarHBondContact O-N 3.45Å; Y81-L83 PolarHBondContact O-N 2.87Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.36Å; L83-S86 WeakPolarHBondContact CA-OG 3.47Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-S86 VanDerWaalsContact O-N 3.09Å; L83-S86 PolarHBondContact O-OG 2.94Å; L83-E87 WeakPolarHBondContact O-CB 3.42Å; L83-E87 WeakPolarHBondContact O-CG 3.4Å; L83-E87 PolarHBondContact O-N 2.89Å
84	I	94.2	Very high	88.9	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-41.6	177.7	-68.7	155.6	0	0	0	111.8	L5 T9 I13 W53 V80 Y81 G82 S86 S88 F91 L328	L5-I84 HydrophobicContact CD2-CG2 3.5Å; L5-I84 VanDerWaalsContact CD2-CG2 3.5Å; T9-I84 HydrophobicContact CG2-CD1 4.39Å; T9-I84 HydrophobicContact CG2-CG1 4.07Å; T9-I84 HydrophobicContact CG2-CG2 4.15Å; I13-I84 HydrophobicContact CD1-CD1 3.33Å; I13-I84 HydrophobicContact CD1-CG1 4.42Å; I13-I84 HydrophobicContact CG1-CD1 3.64Å; W53-I84 HydrophobicContact CH2-CD1 4.24Å; W53-I84 HydrophobicContact CZ2-CD1 4Å; W53-I84 HydrophobicContact CZ2-CG1 3.98Å; V80-I84 HydrophobicContact CG1-CD1 4.11Å; V80-I84 WeakPolarHBondContact O-CD1 3.25Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.06Å; Y81-I84 HydrophobicContact CD1-CD1 4.27Å; Y81-I84 WeakPolarHBondContact O-CB 3.37Å; Y81-I84 PolarHBondContact O-N 3.22Å; Y81-I84 VanDerWaalsContact O-N 3.12Å; G82-I84 VanDerWaalsContact C-N 3.33Å; G82-I84 PolarHBondContact O-N 2.93Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S88 VanDerWaalsContact O-CB 3.26Å; I84-S88 WeakPolarHBondContact O-CB 3.45Å; I84-S88 PolarHBondContact O-N 3.25Å; I84-F91 HydrophobicContact CG2-CD2 4.41Å; I84-F91 HydrophobicContact CG2-CE2 3.85Å; I84-L328 HydrophobicContact CG2-CD1 4.42Å
85	Y	94.3	Very high	90.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-46	173.5	-83.1	-77.5	0	0	0	111.1	Y81 G82 L83 F91 Y159 E162 A163 M327 L328	Y81-Y85 WeakPolarHBondContact O-CD2 3.24Å; Y81-Y85 PolarHBondContact O-N 3.1Å; G82-Y85 PolarHBondContact O-N 3.23Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.36Å; Y85-F91 HydrophobicContact CD1-CB 3.86Å; Y85-F91 HydrophobicContact CD1-CD1 4.03Å; Y85-F91 AromaticContact CD1-CD2 3.92Å; Y85-F91 HydrophobicContact CD1-CD2 3.92Å; Y85-F91 AromaticContact CD1-CG 3.64Å; Y85-F91 HydrophobicContact CD1-CG 3.64Å; Y85-F91 AromaticContact CE1-CD1 3.99Å; Y85-F91 HydrophobicContact CE1-CD1 3.99Å; Y85-F91 HydrophobicContact CE1-CD2 4.44Å; Y85-F91 HydrophobicContact CE1-CE1 4.37Å; Y85-F91 HydrophobicContact CE1-CG 4.08Å; Y85-F91 HydrophobicContact CG-CD2 4.35Å; Y85-F91 HydrophobicContact CG-CG 4.47Å; Y85-F91 WeakPolarHBondContact O-CB 3.47Å; Y85-Y159 HydrophobicContact CD1-CD2 4.28Å; Y85-Y159 AromaticContact CD1-CE2 3.6Å; Y85-Y159 HydrophobicContact CD1-CE2 3.6Å; Y85-Y159 AromaticContact CD1-CZ 3.82Å; Y85-Y159 AromaticContact CE1-CD2 3.84Å; Y85-Y159 HydrophobicContact CE1-CD2 3.84Å; Y85-Y159 AromaticContact CE1-CE2 3.58Å; Y85-Y159 HydrophobicContact CE1-CE2 3.58Å; Y85-E162 HydrophobicContact CE2-CB 3.78Å; Y85-E162 PolarHBondContact OH-OE2 3.49Å; Y85-E162 VanDerWaalsContact OH-OE2 3.14Å; Y85-A163 HydrophobicContact CD1-CB 3.89Å; Y85-A163 HydrophobicContact CD2-CB 3.85Å; Y85-A163 HydrophobicContact CE1-CB 4.5Å; Y85-A163 HydrophobicContact CE2-CB 4.45Å; Y85-A163 HydrophobicContact CG-CB 3.56Å; Y85-M327 WeakPolarHBondContact OH-CB 3.31Å; Y85-L328 HydrophobicContact CD2-CD1 4.19Å; Y85-L328 HydrophobicContact CE1-CD1 4.01Å; Y85-L328 HydrophobicContact CE2-CB 4.42Å; Y85-L328 HydrophobicContact CE2-CD1 3.6Å; Y85-L328 HydrophobicContact CE2-CG 4.25Å; Y85-L328 VanDerWaalsContact CZ-CD1 3.5Å; Y85-L328 WeakPolarHBondContact OH-CG 3.2Å
86	S	91.7	Very high	92.1	Very high	61 Å²	61	30.5 Å²	30.5	43%	0.427	16%	0.164	S	C	.	.	H	α-helix	trans	-69.1	-33	-178.1	71.2	0	0	0	0	114.4	G82 L83 I84 Q92	G82-S86 PolarHBondContact O-N 3.37Å; L83-S86 WeakPolarHBondContact CA-OG 3.47Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-S86 VanDerWaalsContact O-N 3.09Å; L83-S86 PolarHBondContact O-OG 2.94Å; I84-S86 VanDerWaalsContact C-N 3.34Å; S86-Q92 PolarHBondContact O-NE2 3.25Å
87	E	90.3	Very high	92.9	Very high	96 Å²	96	27.4 Å²	27.4	45%	0.449	15%	0.151	S	C	.	.	H	α-helix	trans	-92	-16.8	-172.8	-69.4	179.1	170.8	0	0	114.3	L83	L83-E87 WeakPolarHBondContact O-CB 3.42Å; L83-E87 WeakPolarHBondContact O-CG 3.4Å; L83-E87 PolarHBondContact O-N 2.89Å
88	S	92.3	Very high	93.3	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	15%	0.148	C	C	.	.			trans	-93.3	122	-174.7	162.8	0	0	0	0	111.4	I84 E90 F91 Q92	I84-S88 VanDerWaalsContact O-CB 3.26Å; I84-S88 WeakPolarHBondContact O-CB 3.45Å; I84-S88 PolarHBondContact O-N 3.25Å; S88-E90 PolarHBondContact O-N 2.72Å; S88-E90 PolarHBondContact OG-N 2.89Å; S88-E90 PolarHBondContact OG-OE2 3.43Å; S88-F91 VanDerWaalsContact CB-CD2 3.48Å; S88-F91 PolarHBondContact O-N 3.49Å; S88-F91 WeakPolarHBondContact OG-CD2 3.39Å; S88-Q92 WeakPolarHBondContact O-CG 3.5Å; S88-Q92 PolarHBondContact O-N 3.19Å
89	N	92.5	Very high	93.5	Very high	53 Å²	53	29.3 Å²	29.3	28%	0.283	15%	0.15	S	C	.	.	H	α-helix	trans	-55.3	-33.5	174.2	-71.9	4.6	0	0	0	112.1	F91 F93 L112 M114	N89-F91 VanDerWaalsContact C-N 3.33Å; N89-F91 PolarHBondContact O-N 2.91Å; N89-F93 VanDerWaalsContact O-CB 3.26Å; N89-F93 WeakPolarHBondContact O-CB 3.4Å; N89-F93 PolarHBondContact O-N 3.08Å; N89-L112 PolarHBondContact ND2-O 3.29Å; N89-M114 HydrophobicContact CB-SD 4.09Å
90	E	92.7	Very high	93.6	Very high	38 Å²	38	28.8 Å²	28.8	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-38.5	177.9	-58.7	83.1	176.6	0	0	112.8	L4 S88 V94 M122	L4-E90 HydrophobicContact CB-CB 4.06Å; L4-E90 HydrophobicContact CB-CG 4.38Å; L4-E90 WeakPolarHBondContact O-CG 3.45Å; S88-E90 PolarHBondContact O-N 2.72Å; S88-E90 PolarHBondContact OG-N 2.89Å; S88-E90 PolarHBondContact OG-OE2 3.43Å; E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.49Å; E90-M122 VanDerWaalsContact CA-SD 3.53Å; E90-M122 HydrophobicContact CB-CG 4.11Å; E90-M122 HydrophobicContact CB-SD 4.05Å; E90-M122 HydrophobicContact CG-CB 4.2Å; E90-M122 HydrophobicContact CG-CG 3.61Å; E90-M122 HydrophobicContact CG-SD 3.77Å
91	F	95	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-81.2	-40.3	177	-61.2	-43.3	0	0	0	112.1	M1 L4 L5 I84 Y85 S88 N89 F93 V94 E95 Y159 L328	M1-F91 HydrophobicContact CB-CE1 3.91Å; M1-F91 HydrophobicContact CB-CZ 4.46Å; M1-F91 HydrophobicContact CG-CE1 4.48Å; M1-F91 HydrophobicContact SD-CD1 4.13Å; M1-F91 HydrophobicContact SD-CE1 3.87Å; L4-F91 HydrophobicContact CB-CE1 4.15Å; L4-F91 HydrophobicContact CB-CZ 4.32Å; L4-F91 HydrophobicContact CD1-CE1 4.03Å; L5-F91 HydrophobicContact CD2-CE2 3.48Å; L5-F91 VanDerWaalsContact CD2-CE2 3.48Å; L5-F91 HydrophobicContact CD2-CZ 3.68Å; L5-F91 HydrophobicContact CG-CZ 4.29Å; I84-F91 HydrophobicContact CG2-CD2 4.41Å; I84-F91 HydrophobicContact CG2-CE2 3.85Å; Y85-F91 HydrophobicContact CD1-CB 3.86Å; Y85-F91 HydrophobicContact CD1-CD1 4.03Å; Y85-F91 AromaticContact CD1-CD2 3.92Å; Y85-F91 HydrophobicContact CD1-CD2 3.92Å; Y85-F91 AromaticContact CD1-CG 3.64Å; Y85-F91 HydrophobicContact CD1-CG 3.64Å; Y85-F91 AromaticContact CE1-CD1 3.99Å; Y85-F91 HydrophobicContact CE1-CD1 3.99Å; Y85-F91 HydrophobicContact CE1-CD2 4.44Å; Y85-F91 HydrophobicContact CE1-CE1 4.37Å; Y85-F91 HydrophobicContact CE1-CG 4.08Å; Y85-F91 HydrophobicContact CG-CD2 4.35Å; Y85-F91 HydrophobicContact CG-CG 4.47Å; Y85-F91 WeakPolarHBondContact O-CB 3.47Å; S88-F91 VanDerWaalsContact CB-CD2 3.48Å; S88-F91 PolarHBondContact O-N 3.49Å; S88-F91 WeakPolarHBondContact OG-CD2 3.39Å; N89-F91 VanDerWaalsContact C-N 3.33Å; N89-F91 PolarHBondContact O-N 2.91Å; F91-F93 PolarHBondContact O-N 2.9Å; F91-V94 PolarHBondContact O-N 3.33Å; F91-V94 VanDerWaalsContact O-N 3.07Å; F91-E95 PolarHBondContact O-N 3.45Å; F91-Y159 HydrophobicContact CB-CE2 4.18Å; F91-Y159 HydrophobicContact CD1-CE2 4.41Å; F91-Y159 PolarHBondContact O-OH 2.95Å; F91-Y159 VanDerWaalsContact O-OH 3.08Å; F91-L328 HydrophobicContact CD2-CD1 4.49Å; F91-L328 HydrophobicContact CE1-CD1 4.19Å; F91-L328 HydrophobicContact CE1-CD2 4.46Å; F91-L328 HydrophobicContact CE2-CD1 3.66Å; F91-L328 HydrophobicContact CZ-CD1 3.5Å; F91-L328 VanDerWaalsContact CZ-CD1 3.5Å; F91-L328 HydrophobicContact CZ-CD2 3.9Å; F91-L328 HydrophobicContact CZ-CG 4.13Å
92	Q	93.9	Very high	93.4	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	17%	0.173	S	C	.	.	H	α-helix	trans	-55.6	-39.6	171.1	-67.8	179.2	21.1	0	0	111.5	S86 S88 E95 K96 L112	S86-Q92 PolarHBondContact O-NE2 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.5Å; S88-Q92 PolarHBondContact O-N 3.19Å; Q92-E95 PolarHBondContact O-N 2.84Å; Q92-K96 VanDerWaalsContact O-CB 3.26Å; Q92-K96 WeakPolarHBondContact O-CB 3.23Å; Q92-K96 VanDerWaalsContact O-CG 3.22Å; Q92-K96 WeakPolarHBondContact O-CG 3.27Å; Q92-K96 PolarHBondContact O-N 2.95Å; Q92-L112 HydrophobicContact CB-CD2 4.33Å
93	F	95.8	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-49	174.3	178.6	-127.2	0	0	0	112.2	N89 F91 E95 M97 W108 L112 F119 M122 V123 L126 F142	N89-F93 VanDerWaalsContact O-CB 3.26Å; N89-F93 WeakPolarHBondContact O-CB 3.4Å; N89-F93 PolarHBondContact O-N 3.08Å; F91-F93 PolarHBondContact O-N 2.9Å; F93-E95 VanDerWaalsContact C-N 3.32Å; F93-E95 PolarHBondContact O-N 3.06Å; F93-M97 HydrophobicContact CD1-CE 3.92Å; F93-M97 HydrophobicContact CD2-CG 4.25Å; F93-M97 HydrophobicContact CE1-CE 3.72Å; F93-M97 HydrophobicContact CE1-SD 3.98Å; F93-M97 HydrophobicContact CE2-CE 4.35Å; F93-M97 HydrophobicContact CE2-CG 3.91Å; F93-M97 HydrophobicContact CE2-SD 3.87Å; F93-M97 HydrophobicContact CG-CE 4.35Å; F93-M97 HydrophobicContact CZ-CE 3.95Å; F93-M97 HydrophobicContact CZ-CG 4.25Å; F93-M97 HydrophobicContact CZ-SD 3.57Å; F93-M97 VanDerWaalsContact CZ-SD 3.57Å; F93-M97 WeakPolarHBondContact O-CG 3.22Å; F93-M97 PolarHBondContact O-N 3.26Å; F93-M97 VanDerWaalsContact O-N 3.08Å; F93-W108 AromaticContact CD2-CD2 3.73Å; F93-W108 HydrophobicContact CD2-CD2 3.73Å; F93-W108 AromaticContact CD2-CE3 3.7Å; F93-W108 HydrophobicContact CD2-CE3 3.7Å; F93-W108 HydrophobicContact CD2-CG 4.13Å; F93-W108 HydrophobicContact CD2-CZ3 4.15Å; F93-W108 HydrophobicContact CE2-CB 4.17Å; F93-W108 AromaticContact CE2-CD1 3.79Å; F93-W108 AromaticContact CE2-CD2 3.48Å; F93-W108 HydrophobicContact CE2-CD2 3.48Å; F93-W108 VanDerWaalsContact CE2-CD2 3.48Å; F93-W108 AromaticContact CE2-CE2 3.7Å; F93-W108 AromaticContact CE2-CE3 3.97Å; F93-W108 HydrophobicContact CE2-CE3 3.97Å; F93-W108 AromaticContact CE2-CG 3.57Å; F93-W108 HydrophobicContact CE2-CG 3.57Å; F93-W108 HydrophobicContact CE2-CZ2 4.35Å; F93-W108 AromaticContact CE2-NE1 3.88Å; F93-L112 HydrophobicContact CB-CD1 3.72Å; F93-L112 HydrophobicContact CB-CD2 4.37Å; F93-L112 HydrophobicContact CD2-CD1 3.81Å; F93-L112 HydrophobicContact CG-CD1 3.96Å; F93-F119 HydrophobicContact CD2-CE2 4.42Å; F93-F119 HydrophobicContact CE2-CE2 4.03Å; F93-F119 HydrophobicContact CE2-CZ 4.31Å; F93-F119 HydrophobicContact CZ-CE2 4.07Å; F93-F119 HydrophobicContact CZ-CZ 4.14Å; F93-M122 HydrophobicContact CB-CE 4.03Å; F93-M122 HydrophobicContact CB-SD 4.13Å; F93-M122 HydrophobicContact CD1-CE 3.45Å; F93-M122 VanDerWaalsContact CD1-CE 3.45Å; F93-M122 HydrophobicContact CD1-SD 4.1Å; F93-M122 HydrophobicContact CD2-CE 4.38Å; F93-M122 HydrophobicContact CE1-CE 3.94Å; F93-M122 HydrophobicContact CG-CE 3.69Å; F93-M122 HydrophobicContact CG-SD 4.35Å; F93-V123 HydrophobicContact CE1-CG2 4.16Å; F93-V123 HydrophobicContact CZ-CG2 4.41Å; F93-L126 HydrophobicContact CD1-CD2 3.86Å; F93-L126 HydrophobicContact CE1-CD2 3.77Å; F93-F142 HydrophobicContact CZ-CB 4.38Å; F93-F142 AromaticContact CZ-CD1 3.79Å; F93-F142 HydrophobicContact CZ-CD1 3.79Å; F93-F142 HydrophobicContact CZ-CE1 4.29Å; F93-F142 HydrophobicContact CZ-CG 4.15Å
94	V	96.1	Very high	93.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-47.2	178	170.2	0	0	0	0	111.2	E90 F91 M97 L126 F155 Y156 Y159	E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.49Å; F91-V94 PolarHBondContact O-N 3.33Å; F91-V94 VanDerWaalsContact O-N 3.07Å; V94-M97 HydrophobicContact CG2-CE 4.42Å; V94-L126 HydrophobicContact CG2-CD1 3.65Å; V94-L126 HydrophobicContact CG2-CD2 3.74Å; V94-L126 HydrophobicContact CG2-CG 4.37Å; V94-F155 HydrophobicContact CG1-CE1 3.9Å; V94-F155 HydrophobicContact CG1-CZ 3.83Å; V94-Y156 HydrophobicContact CG1-CE1 4.12Å; V94-Y156 VanDerWaalsContact O-CE1 3.23Å; V94-Y156 WeakPolarHBondContact O-CE1 3.37Å; V94-Y156 PolarHBondContact O-OH 2.86Å; V94-Y159 HydrophobicContact CB-CE2 4.26Å; V94-Y159 HydrophobicContact CG1-CD2 3.91Å; V94-Y159 HydrophobicContact CG1-CE2 3.98Å
95	E	96.5	Very high	93.7	Very high	29 Å²	29	39.1 Å²	39.1	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-50.1	-178.8	-168	176.5	136.2	0	0	112.5	F91 Q92 F93 M97 L98 Y99 Y159 F160 Y164	F91-E95 PolarHBondContact O-N 3.45Å; Q92-E95 PolarHBondContact O-N 2.84Å; F93-E95 VanDerWaalsContact C-N 3.32Å; F93-E95 PolarHBondContact O-N 3.06Å; E95-M97 PolarHBondContact O-N 2.86Å; E95-L98 VanDerWaalsContact O-CB 3.27Å; E95-L98 WeakPolarHBondContact O-CB 3.26Å; E95-L98 PolarHBondContact O-N 2.98Å; E95-Y99 HydrophobicContact CG-CE2 4.42Å; E95-Y159 HydrophobicContact CB-CE1 3.74Å; E95-Y159 WeakPolarHBondContact CB-OH 3.07Å; E95-Y159 HydrophobicContact CG-CE1 3.78Å; E95-Y159 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y159 PolarHBondContact OE2-OH 3.42Å; E95-F160 HydrophobicContact CG-CE1 3.76Å; E95-F160 HydrophobicContact CG-CZ 3.9Å; E95-Y164 PolarHBondContact OE1-OH 3.47Å; E95-Y164 PolarHBondContact OE2-OH 3.34Å
96	K	95.4	Very high	93.8	Very high	54 Å²	54	44.2 Å²	44.2	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-31.5	-180	-72.2	-177.7	176	-170.6	0	112.1	Q92 L98 Y99 E100 W108 E111	Q92-K96 VanDerWaalsContact O-CB 3.26Å; Q92-K96 WeakPolarHBondContact O-CB 3.23Å; Q92-K96 VanDerWaalsContact O-CG 3.22Å; Q92-K96 WeakPolarHBondContact O-CG 3.27Å; Q92-K96 PolarHBondContact O-N 2.95Å; K96-L98 PolarHBondContact O-N 3.08Å; K96-Y99 PolarHBondContact O-N 2.6Å; K96-E100 PolarHBondContact O-N 3.41Å; K96-W108 HydrophobicContact CB-CH2 3.54Å; K96-W108 HydrophobicContact CB-CZ3 3.54Å; K96-W108 HydrophobicContact CD-CZ3 4.12Å; K96-W108 HydrophobicContact CG-CZ3 4.49Å; K96-E111 HydrophobicContact CD-CG 4.45Å; K96-E111 IonicContact NZ-OE1 3.38Å; K96-E111 PolarHBondContact NZ-OE1 3.07Å
97	M	95.4	Very high	94	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	173.3	-80.5	-170.2	-65.3	0	0	113.7	F93 V94 E95 Y99 W108 L126 L137 F142 I144	F93-M97 HydrophobicContact CD1-CE 3.92Å; F93-M97 HydrophobicContact CD2-CG 4.25Å; F93-M97 HydrophobicContact CE1-CE 3.72Å; F93-M97 HydrophobicContact CE1-SD 3.98Å; F93-M97 HydrophobicContact CE2-CE 4.35Å; F93-M97 HydrophobicContact CE2-CG 3.91Å; F93-M97 HydrophobicContact CE2-SD 3.87Å; F93-M97 HydrophobicContact CG-CE 4.35Å; F93-M97 HydrophobicContact CZ-CE 3.95Å; F93-M97 HydrophobicContact CZ-CG 4.25Å; F93-M97 HydrophobicContact CZ-SD 3.57Å; F93-M97 VanDerWaalsContact CZ-SD 3.57Å; F93-M97 WeakPolarHBondContact O-CG 3.22Å; F93-M97 PolarHBondContact O-N 3.26Å; F93-M97 VanDerWaalsContact O-N 3.08Å; V94-M97 HydrophobicContact CG2-CE 4.42Å; E95-M97 PolarHBondContact O-N 2.86Å; M97-Y99 PolarHBondContact O-N 2.88Å; M97-W108 HydrophobicContact CG-CH2 4.24Å; M97-W108 HydrophobicContact CG-CZ2 3.76Å; M97-L126 HydrophobicContact CE-CD2 3.77Å; M97-L137 HydrophobicContact CE-CD1 4.14Å; M97-L137 HydrophobicContact SD-CD1 3.86Å; M97-F142 HydrophobicContact SD-CB 4.14Å; M97-I144 HydrophobicContact CE-CD1 4.19Å; M97-I144 HydrophobicContact CE-CG1 4.19Å
98	L	95.7	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28	172.7	179	61.2	0	0	0	112	E95 K96 Y156 F160 V207 N210 R211 Q214	E95-L98 VanDerWaalsContact O-CB 3.27Å; E95-L98 WeakPolarHBondContact O-CB 3.26Å; E95-L98 PolarHBondContact O-N 2.98Å; K96-L98 PolarHBondContact O-N 3.08Å; L98-Y156 HydrophobicContact CB-CD1 4.19Å; L98-Y156 HydrophobicContact CB-CE1 3.81Å; L98-Y156 HydrophobicContact CB-CE2 4.37Å; L98-Y156 HydrophobicContact CD1-CD2 4.03Å; L98-Y156 HydrophobicContact CD1-CE2 4.16Å; L98-Y156 HydrophobicContact CD1-CG 4.29Å; L98-Y156 HydrophobicContact CD2-CD1 4.27Å; L98-Y156 HydrophobicContact CD2-CG 4.35Å; L98-Y156 PolarHBondContact N-OH 3.03Å; L98-F160 HydrophobicContact CD2-CE2 3.43Å; L98-F160 VanDerWaalsContact CD2-CE2 3.43Å; L98-F160 HydrophobicContact CD2-CZ 3.72Å; L98-V207 HydrophobicContact CD1-CG1 4.39Å; L98-V207 HydrophobicContact CD2-CG2 3.97Å; L98-N210 HydrophobicContact CD1-CB 3.99Å; L98-N210 HydrophobicContact CD2-CB 4.45Å; L98-N210 HydrophobicContact CG-CB 4.03Å; L98-R211 HydrophobicContact CD1-CG 3.87Å; L98-Q214 VanDerWaalsContact C-NE2 3.28Å; L98-Q214 VanDerWaalsContact O-CD 3.23Å; L98-Q214 PolarHBondContact O-NE2 3.39Å
99	Y	92.9	Very high	94.6	Very high	78 Å²	78	40.4 Å²	40.4	31%	0.306	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-37.3	-179.8	-55.9	-70.7	0	0	0	110.8	E95 K96 M97 F171 N210 Q214	E95-Y99 HydrophobicContact CG-CE2 4.42Å; K96-Y99 PolarHBondContact O-N 2.6Å; M97-Y99 PolarHBondContact O-N 2.88Å; Y99-F171 HydrophobicContact CE1-CD1 4.45Å; Y99-F171 WeakPolarHBondContact OH-CD1 3.5Å; Y99-F171 VanDerWaalsContact OH-CE1 3.28Å; Y99-F171 WeakPolarHBondContact OH-CE1 3.4Å; Y99-N210 WeakPolarHBondContact CD1-OD1 3.42Å; Y99-N210 WeakPolarHBondContact CE1-OD1 3.46Å; Y99-Q214 PolarHBondContact O-NE2 2.85Å
100	E	92	Very high	94.7	Very high	59 Å²	59	43.4 Å²	43.4	28%	0.276	21%	0.214	S	C	.	.			trans	-122.6	54.8	-167.8	-58.8	-173.6	-139.5	0	0	113.9	K96 N102 Q103 Y107 W108	K96-E100 PolarHBondContact O-N 3.41Å; E100-N102 PolarHBondContact O-N 3.18Å; E100-N102 VanDerWaalsContact O-N 3.09Å; E100-Q103 HydrophobicContact CB-CG 4.01Å; E100-Y107 WeakPolarHBondContact OE2-CE1 3.47Å; E100-Y107 PolarHBondContact OE2-OH 3.24Å; E100-W108 HydrophobicContact CB-CH2 4.06Å; E100-W108 HydrophobicContact CB-CZ2 4.18Å; E100-W108 WeakPolarHBondContact O-CZ2 3.42Å
101	S	88.4	Confident	94.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	0.7	-174.4	56.7	0	0	0	0	116.5	P141 F142 Q214	S101-P141 WeakPolarHBondContact O-CB 3.31Å; S101-P141 VanDerWaalsContact O-CG 3.27Å; S101-P141 WeakPolarHBondContact O-CG 3.11Å; S101-F142 CarbonylContact C-O 3.31Å; S101-F142 WeakPolarHBondContact CA-O 3.35Å; S101-F142 VanDerWaalsContact O-O 3.14Å; S101-Q214 VanDerWaalsContact CB-NE2 3.31Å; S101-Q214 WeakPolarHBondContact OG-CG 3.45Å; S101-Q214 PolarHBondContact OG-NE2 2.77Å; S101-Q214 PolarHBondContact OG-OE1 2.9Å
102	N	91.2	Very high	94.9	Very high	111 Å²	111	45 Å²	45	59%	0.594	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	9.8	-175.4	-69.6	-37.3	0	0	0	114	E100 P141	E100-N102 PolarHBondContact O-N 3.18Å; E100-N102 VanDerWaalsContact O-N 3.09Å; N102-P141 VanDerWaalsContact C-CB 3.42Å
103	Q	95.2	Very high	94.9	Very high	64 Å²	64	51.3 Å²	51.3	30%	0.299	25%	0.248	S	C	.	.			trans	-90.3	153.1	-176.8	-56	-67.2	5	0	0	112.8	E100 Y107 W108 F142	E100-Q103 HydrophobicContact CB-CG 4.01Å; Q103-Y107 HydrophobicContact CB-CD1 3.38Å; Q103-Y107 HydrophobicContact CB-CE1 4.06Å; Q103-Y107 HydrophobicContact CB-CG 3.78Å; Q103-Y107 HydrophobicContact CG-CD1 3.41Å; Q103-Y107 VanDerWaalsContact CG-CD1 3.41Å; Q103-Y107 HydrophobicContact CG-CD2 4.41Å; Q103-Y107 HydrophobicContact CG-CE1 3.57Å; Q103-Y107 HydrophobicContact CG-CG 3.86Å; Q103-W108 HydrophobicContact CB-CZ2 4.29Å; Q103-W108 HydrophobicContact CG-CZ2 4.49Å; Q103-F142 PolarHBondContact O-N 3.1Å
104	D	94.6	Very high	94.9	Very high	87 Å²	87	52.6 Å²	52.6	47%	0.465	25%	0.254	S	S	.	.			trans	-95.6	-179.1	177.9	67.3	18.4	0	0	0	112.9	D106 Y107 W108	D104-D106 VanDerWaalsContact C-N 3.33Å; D104-D106 PolarHBondContact O-N 2.61Å; D104-D106 PolarHBondContact OD1-N 3.05Å; D104-D106 VanDerWaalsContact OD1-N 3.14Å; D104-Y107 PolarHBondContact OD1-N 3.1Å; D104-W108 PolarHBondContact O-N 3.13Å
105	A	95.9	Very high	94.8	Very high	14 Å²	14	55.9 Å²	55.9	12%	0.116	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-39.6	-179.3	0	0	0	0	0	112.5	Y107 W108 I109 F119 F142	A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.3Å; A105-W108 PolarHBondContact O-N 2.69Å; A105-I109 HydrophobicContact CB-CD1 4.43Å; A105-I109 WeakPolarHBondContact O-CB 3.37Å; A105-I109 WeakPolarHBondContact O-CD1 3.37Å; A105-I109 WeakPolarHBondContact O-CG1 3.29Å; A105-I109 PolarHBondContact O-N 2.85Å; A105-F119 HydrophobicContact CB-CE1 4.04Å; A105-F142 HydrophobicContact CB-CE2 3.87Å
106	D	95.9	Very high	94.9	Very high	110 Å²	110	60.4 Å²	60.4	59%	0.588	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-41	-176.1	-72.7	-16.9	0	0	0	110.6	D104 N110	D104-D106 VanDerWaalsContact C-N 3.33Å; D104-D106 PolarHBondContact O-N 2.61Å; D104-D106 PolarHBondContact OD1-N 3.05Å; D104-D106 VanDerWaalsContact OD1-N 3.14Å; D106-N110 PolarHBondContact O-N 2.94Å; D106-N110 PolarHBondContact O-ND2 3.27Å
107	Y	97	Very high	94.9	Very high	67 Å²	67	60.9 Å²	60.9	26%	0.263	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-54.9	171.6	178.1	-93.3	0	0	0	111.6	E100 Q103 D104 A105 I109 N110 E111	E100-Y107 WeakPolarHBondContact OE2-CE1 3.47Å; E100-Y107 PolarHBondContact OE2-OH 3.24Å; Q103-Y107 HydrophobicContact CB-CD1 3.38Å; Q103-Y107 HydrophobicContact CB-CE1 4.06Å; Q103-Y107 HydrophobicContact CB-CG 3.78Å; Q103-Y107 HydrophobicContact CG-CD1 3.41Å; Q103-Y107 VanDerWaalsContact CG-CD1 3.41Å; Q103-Y107 HydrophobicContact CG-CD2 4.41Å; Q103-Y107 HydrophobicContact CG-CE1 3.57Å; Q103-Y107 HydrophobicContact CG-CG 3.86Å; D104-Y107 PolarHBondContact OD1-N 3.1Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.3Å; Y107-I109 PolarHBondContact O-N 3.08Å; Y107-N110 PolarHBondContact O-N 2.85Å; Y107-E111 HydrophobicContact CD1-CB 4.48Å; Y107-E111 HydrophobicContact CE1-CB 4.12Å; Y107-E111 HydrophobicContact CE1-CG 4.21Å; Y107-E111 WeakPolarHBondContact O-CB 3.26Å; Y107-E111 PolarHBondContact O-N 3.03Å
108	W	96.8	Very high	94.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-36.5	-174.5	-72.5	118.4	0	0	0	113.8	F93 K96 M97 E100 Q103 D104 A105 N110 E111 L112 F119 F142	F93-W108 AromaticContact CD2-CD2 3.73Å; F93-W108 HydrophobicContact CD2-CD2 3.73Å; F93-W108 AromaticContact CD2-CE3 3.7Å; F93-W108 HydrophobicContact CD2-CE3 3.7Å; F93-W108 HydrophobicContact CD2-CG 4.13Å; F93-W108 HydrophobicContact CD2-CZ3 4.15Å; F93-W108 HydrophobicContact CE2-CB 4.17Å; F93-W108 AromaticContact CE2-CD1 3.79Å; F93-W108 AromaticContact CE2-CD2 3.48Å; F93-W108 HydrophobicContact CE2-CD2 3.48Å; F93-W108 VanDerWaalsContact CE2-CD2 3.48Å; F93-W108 AromaticContact CE2-CE2 3.7Å; F93-W108 AromaticContact CE2-CE3 3.97Å; F93-W108 HydrophobicContact CE2-CE3 3.97Å; F93-W108 AromaticContact CE2-CG 3.57Å; F93-W108 HydrophobicContact CE2-CG 3.57Å; F93-W108 HydrophobicContact CE2-CZ2 4.35Å; F93-W108 AromaticContact CE2-NE1 3.88Å; K96-W108 HydrophobicContact CB-CH2 3.54Å; K96-W108 HydrophobicContact CB-CZ3 3.54Å; K96-W108 HydrophobicContact CD-CZ3 4.12Å; K96-W108 HydrophobicContact CG-CZ3 4.49Å; M97-W108 HydrophobicContact CG-CH2 4.24Å; M97-W108 HydrophobicContact CG-CZ2 3.76Å; E100-W108 HydrophobicContact CB-CH2 4.06Å; E100-W108 HydrophobicContact CB-CZ2 4.18Å; E100-W108 WeakPolarHBondContact O-CZ2 3.42Å; Q103-W108 HydrophobicContact CB-CZ2 4.29Å; Q103-W108 HydrophobicContact CG-CZ2 4.49Å; D104-W108 PolarHBondContact O-N 3.13Å; A105-W108 PolarHBondContact O-N 2.69Å; W108-N110 VanDerWaalsContact C-N 3.29Å; W108-N110 PolarHBondContact O-N 3.45Å; W108-E111 PolarHBondContact O-N 3.49Å; W108-L112 HydrophobicContact CE3-CD1 4.46Å; W108-L112 VanDerWaalsContact O-CB 3.31Å; W108-L112 WeakPolarHBondContact O-CB 3.28Å; W108-L112 WeakPolarHBondContact O-CG 3.09Å; W108-L112 PolarHBondContact O-N 2.65Å; W108-F119 HydrophobicContact CB-CD2 4.4Å; W108-F119 HydrophobicContact CB-CE2 3.5Å; W108-F119 HydrophobicContact CB-CZ 3.67Å; W108-F119 HydrophobicContact CG-CE2 4.35Å; W108-F119 HydrophobicContact CG-CZ 4.34Å; W108-F142 AromaticContact CD1-CD2 3.6Å; W108-F142 AromaticContact CD1-CG 3.94Å
109	I	96.8	Very high	94.9	Very high	23 Å²	23	62.6 Å²	62.6	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-44.3	175.6	-74.6	167.5	0	0	0	110.1	A105 Y107 F113 M114 E116 F119	A105-I109 HydrophobicContact CB-CD1 4.43Å; A105-I109 WeakPolarHBondContact O-CB 3.37Å; A105-I109 WeakPolarHBondContact O-CD1 3.37Å; A105-I109 WeakPolarHBondContact O-CG1 3.29Å; A105-I109 PolarHBondContact O-N 2.85Å; Y107-I109 PolarHBondContact O-N 3.08Å; I109-F113 PolarHBondContact O-N 3.19Å; I109-M114 VanDerWaalsContact CG2-O 3.24Å; I109-M114 WeakPolarHBondContact CG2-O 3.28Å; I109-M114 PolarHBondContact O-N 3.46Å; I109-E116 HydrophobicContact CD1-CB 4.07Å; I109-E116 HydrophobicContact CD1-CG 3.97Å; I109-F119 HydrophobicContact CD1-CB 4.46Å; I109-F119 HydrophobicContact CD1-CD1 3.97Å; I109-F119 HydrophobicContact CD1-CG 4.36Å; I109-F119 HydrophobicContact CG1-CB 3.74Å; I109-F119 HydrophobicContact CG1-CD1 3.64Å; I109-F119 HydrophobicContact CG1-CD2 4.22Å; I109-F119 HydrophobicContact CG1-CE1 4.3Å; I109-F119 HydrophobicContact CG1-CG 3.59Å
110	N	96.4	Very high	95.1	Very high	117 Å²	117	62.9 Å²	62.9	63%	0.626	33%	0.326	S	S	*	.	H	α-helix	trans	-70.7	-47.7	178.2	-72.4	-54.4	0	0	0	111.9	D106 Y107 W108 L112 F113	D106-N110 PolarHBondContact O-N 2.94Å; D106-N110 PolarHBondContact O-ND2 3.27Å; Y107-N110 PolarHBondContact O-N 2.85Å; W108-N110 VanDerWaalsContact C-N 3.29Å; W108-N110 PolarHBondContact O-N 3.45Å; N110-L112 VanDerWaalsContact C-N 3.31Å; N110-L112 PolarHBondContact O-N 3.4Å; N110-F113 PolarHBondContact O-N 3.22Å; N110-F113 VanDerWaalsContact O-N 3.11Å
111	E	95.8	Very high	95.2	Very high	68 Å²	68	68 Å²	68	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-34.2	-177	-179.7	56.6	-159.6	0	0	113	K96 Y107 W108	K96-E111 HydrophobicContact CD-CG 4.45Å; K96-E111 IonicContact NZ-OE1 3.38Å; K96-E111 PolarHBondContact NZ-OE1 3.07Å; Y107-E111 HydrophobicContact CD1-CB 4.48Å; Y107-E111 HydrophobicContact CE1-CB 4.12Å; Y107-E111 HydrophobicContact CE1-CG 4.21Å; Y107-E111 WeakPolarHBondContact O-CB 3.26Å; Y107-E111 PolarHBondContact O-N 3.03Å; W108-E111 PolarHBondContact O-N 3.49Å
112	L	94.7	Very high	95.5	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.6	178.1	-60.1	169.7	0	0	0	113	N89 Q92 F93 W108 N110 M114 F119 M122	N89-L112 PolarHBondContact ND2-O 3.29Å; Q92-L112 HydrophobicContact CB-CD2 4.33Å; F93-L112 HydrophobicContact CB-CD1 3.72Å; F93-L112 HydrophobicContact CB-CD2 4.37Å; F93-L112 HydrophobicContact CD2-CD1 3.81Å; F93-L112 HydrophobicContact CG-CD1 3.96Å; W108-L112 HydrophobicContact CE3-CD1 4.46Å; W108-L112 VanDerWaalsContact O-CB 3.31Å; W108-L112 WeakPolarHBondContact O-CB 3.28Å; W108-L112 WeakPolarHBondContact O-CG 3.09Å; W108-L112 PolarHBondContact O-N 2.65Å; N110-L112 VanDerWaalsContact C-N 3.31Å; N110-L112 PolarHBondContact O-N 3.4Å; L112-M114 HydrophobicContact CB-CG 3.8Å; L112-M114 HydrophobicContact CB-SD 3.96Å; L112-M114 HydrophobicContact CD1-SD 4.12Å; L112-M114 WeakPolarHBondContact O-CG 3.29Å; L112-M114 PolarHBondContact O-N 3.1Å; L112-F119 HydrophobicContact CD1-CD2 4.35Å; L112-F119 HydrophobicContact CD1-CE2 4.3Å; L112-M122 HydrophobicContact CD1-CE 3.94Å
113	F	95.1	Very high	95.7	Very high	191 Å²	191	63 Å²	63	84%	0.838	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	40.5	-175	-57.5	-84.5	0	0	0	113.2	I109 N110	I109-F113 PolarHBondContact O-N 3.19Å; N110-F113 PolarHBondContact O-N 3.22Å; N110-F113 VanDerWaalsContact O-N 3.11Å
114	M	94.3	Very high	95.8	Very high	27 Å²	27	63.5 Å²	63.5	13%	0.133	32%	0.32	C	S	.	.			trans	-100.8	153.6	-177.9	-65.8	-176.4	78.2	0	0	111.1	N89 I109 L112 F119 M122	N89-M114 HydrophobicContact CB-SD 4.09Å; I109-M114 VanDerWaalsContact CG2-O 3.24Å; I109-M114 WeakPolarHBondContact CG2-O 3.28Å; I109-M114 PolarHBondContact O-N 3.46Å; L112-M114 HydrophobicContact CB-CG 3.8Å; L112-M114 HydrophobicContact CB-SD 3.96Å; L112-M114 HydrophobicContact CD1-SD 4.12Å; L112-M114 WeakPolarHBondContact O-CG 3.29Å; L112-M114 PolarHBondContact O-N 3.1Å; M114-F119 HydrophobicContact CB-CB 4.31Å; M114-F119 HydrophobicContact SD-CD2 4.49Å; M114-M122 HydrophobicContact CE-CB 4.3Å; M114-M122 HydrophobicContact CE-SD 4.16Å; M114-M122 HydrophobicContact SD-CE 4.02Å; M114-M122 HydrophobicContact SD-SD 3.98Å
115	S	95.9	Very high	95.8	Very high	68 Å²	68	60.5 Å²	60.5	48%	0.476	31%	0.308	S	S	.	.			trans	-73.5	149.8	160.7	67.9	0	0	0	0	109.9	A117 S118 F119	S115-A117 VanDerWaalsContact C-N 3.26Å; S115-A117 PolarHBondContact O-N 3.13Å; S115-S118 PolarHBondContact O-N 3.1Å; S115-S118 WeakPolarHBondContact OG-CB 3.11Å; S115-S118 PolarHBondContact OG-N 2.82Å; S115-S118 PolarHBondContact OG-OG 3.45Å; S115-F119 PolarHBondContact O-N 3.36Å
116	E	97.1	Very high	95.7	Very high	124 Å²	124	59.9 Å²	59.9	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-50.4	-45.5	176.7	-174	-178	177.5	0	0	112.3	I109 S118 F119 Y120	I109-E116 HydrophobicContact CD1-CB 4.07Å; I109-E116 HydrophobicContact CD1-CG 3.97Å; E116-S118 PolarHBondContact O-N 3.48Å; E116-F119 PolarHBondContact O-N 3.37Å; E116-Y120 HydrophobicContact CG-CD2 3.69Å; E116-Y120 HydrophobicContact CG-CE2 3.49Å; E116-Y120 VanDerWaalsContact CG-CE2 3.49Å; E116-Y120 VanDerWaalsContact O-CD2 3.27Å; E116-Y120 WeakPolarHBondContact O-CD2 3.39Å; E116-Y120 PolarHBondContact O-N 3.37Å
117	A	96.7	Very high	95.7	Very high	65 Å²	65	57.9 Å²	57.9	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-36.6	178.7	0	0	0	0	0	113.3	S115 R121	S115-A117 VanDerWaalsContact C-N 3.26Å; S115-A117 PolarHBondContact O-N 3.13Å; A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.71Å; A117-R121 PolarHBondContact O-NE 3.33Å
118	S	94.5	Very high	95.6	Very high	37 Å²	37	59 Å²	59	26%	0.259	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-40.7	174.8	-70.8	0	0	0	0	111.7	S115 E116 R121 M122	S115-S118 PolarHBondContact O-N 3.1Å; S115-S118 WeakPolarHBondContact OG-CB 3.11Å; S115-S118 PolarHBondContact OG-N 2.82Å; S115-S118 PolarHBondContact OG-OG 3.45Å; E116-S118 PolarHBondContact O-N 3.48Å; S118-R121 PolarHBondContact O-N 2.67Å; S118-R121 PolarHBondContact OG-NH2 3.09Å; S118-M122 PolarHBondContact O-N 2.91Å
119	F	96.2	Very high	95.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-50.5	176.8	176.5	-104	0	0	0	111.3	F93 A105 W108 I109 L112 M114 S115 E116 R121 M122 V123 F142	F93-F119 HydrophobicContact CD2-CE2 4.42Å; F93-F119 HydrophobicContact CE2-CE2 4.03Å; F93-F119 HydrophobicContact CE2-CZ 4.31Å; F93-F119 HydrophobicContact CZ-CE2 4.07Å; F93-F119 HydrophobicContact CZ-CZ 4.14Å; A105-F119 HydrophobicContact CB-CE1 4.04Å; W108-F119 HydrophobicContact CB-CD2 4.4Å; W108-F119 HydrophobicContact CB-CE2 3.5Å; W108-F119 HydrophobicContact CB-CZ 3.67Å; W108-F119 HydrophobicContact CG-CE2 4.35Å; W108-F119 HydrophobicContact CG-CZ 4.34Å; I109-F119 HydrophobicContact CD1-CB 4.46Å; I109-F119 HydrophobicContact CD1-CD1 3.97Å; I109-F119 HydrophobicContact CD1-CG 4.36Å; I109-F119 HydrophobicContact CG1-CB 3.74Å; I109-F119 HydrophobicContact CG1-CD1 3.64Å; I109-F119 HydrophobicContact CG1-CD2 4.22Å; I109-F119 HydrophobicContact CG1-CE1 4.3Å; I109-F119 HydrophobicContact CG1-CG 3.59Å; L112-F119 HydrophobicContact CD1-CD2 4.35Å; L112-F119 HydrophobicContact CD1-CE2 4.3Å; M114-F119 HydrophobicContact CB-CB 4.31Å; M114-F119 HydrophobicContact SD-CD2 4.49Å; S115-F119 PolarHBondContact O-N 3.36Å; E116-F119 PolarHBondContact O-N 3.37Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 2.68Å; F119-M122 HydrophobicContact CD2-CE 3.37Å; F119-M122 HydrophobicContact CE2-CE 3.53Å; F119-M122 HydrophobicContact CG-CE 4.38Å; F119-M122 WeakPolarHBondContact O-CB 3.07Å; F119-M122 PolarHBondContact O-N 2.72Å; F119-M122 VanDerWaalsContact O-N 3.14Å; F119-V123 HydrophobicContact CD1-CG2 4.1Å; F119-V123 HydrophobicContact CD2-CG2 4.36Å; F119-V123 HydrophobicContact CE1-CG2 3.7Å; F119-V123 HydrophobicContact CE2-CG2 3.94Å; F119-V123 HydrophobicContact CG-CG2 4.42Å; F119-V123 HydrophobicContact CZ-CG2 3.6Å; F119-V123 WeakPolarHBondContact O-CG2 3.34Å; F119-V123 PolarHBondContact O-N 2.89Å; F119-F142 HydrophobicContact CE1-CE1 4.48Å; F119-F142 AromaticContact CE1-CE2 3.98Å; F119-F142 HydrophobicContact CE1-CE2 3.98Å; F119-F142 AromaticContact CE1-CZ 3.7Å; F119-F142 HydrophobicContact CE1-CZ 3.7Å; F119-F142 HydrophobicContact CZ-CD2 4.49Å; F119-F142 HydrophobicContact CZ-CE1 4.22Å; F119-F142 AromaticContact CZ-CE2 3.91Å; F119-F142 HydrophobicContact CZ-CE2 3.91Å; F119-F142 AromaticContact CZ-CZ 3.74Å; F119-F142 HydrophobicContact CZ-CZ 3.74Å
120	Y	96.4	Very high	95.4	Very high	83 Å²	83	58.4 Å²	58.4	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-29.4	179.2	-76.4	-63.1	0	0	0	113.9	E116 N124	E116-Y120 HydrophobicContact CG-CD2 3.69Å; E116-Y120 HydrophobicContact CG-CE2 3.49Å; E116-Y120 VanDerWaalsContact CG-CE2 3.49Å; E116-Y120 VanDerWaalsContact O-CD2 3.27Å; E116-Y120 WeakPolarHBondContact O-CD2 3.39Å; E116-Y120 PolarHBondContact O-N 3.37Å; Y120-N124 WeakPolarHBondContact O-CB 2.96Å; Y120-N124 PolarHBondContact O-N 3.37Å; Y120-N124 PolarHBondContact O-ND2 3.22Å; Y120-N124 VanDerWaalsContact O-ND2 3.14Å
121	R	94.5	Very high	95.3	Very high	166 Å²	166	60.3 Å²	60.3	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-64.1	-45.5	170.9	-77.9	-175.7	-64.8	-176.1	3.3	111.7	A117 S118 F119 A125	A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.71Å; A117-R121 PolarHBondContact O-NE 3.33Å; S118-R121 PolarHBondContact O-N 2.67Å; S118-R121 PolarHBondContact OG-NH2 3.09Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 2.68Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.1Å
122	M	94.6	Very high	95.2	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.044	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-49.5	173.7	166.3	-171.4	79.4	0	0	111.2	E90 F93 L112 M114 S118 F119 N124 A125 L126	E90-M122 VanDerWaalsContact CA-SD 3.53Å; E90-M122 HydrophobicContact CB-CG 4.11Å; E90-M122 HydrophobicContact CB-SD 4.05Å; E90-M122 HydrophobicContact CG-CB 4.2Å; E90-M122 HydrophobicContact CG-CG 3.61Å; E90-M122 HydrophobicContact CG-SD 3.77Å; F93-M122 HydrophobicContact CB-CE 4.03Å; F93-M122 HydrophobicContact CB-SD 4.13Å; F93-M122 HydrophobicContact CD1-CE 3.45Å; F93-M122 VanDerWaalsContact CD1-CE 3.45Å; F93-M122 HydrophobicContact CD1-SD 4.1Å; F93-M122 HydrophobicContact CD2-CE 4.38Å; F93-M122 HydrophobicContact CE1-CE 3.94Å; F93-M122 HydrophobicContact CG-CE 3.69Å; F93-M122 HydrophobicContact CG-SD 4.35Å; L112-M122 HydrophobicContact CD1-CE 3.94Å; M114-M122 HydrophobicContact CE-CB 4.3Å; M114-M122 HydrophobicContact CE-SD 4.16Å; M114-M122 HydrophobicContact SD-CE 4.02Å; M114-M122 HydrophobicContact SD-SD 3.98Å; S118-M122 PolarHBondContact O-N 2.91Å; F119-M122 HydrophobicContact CD2-CE 3.37Å; F119-M122 HydrophobicContact CE2-CE 3.53Å; F119-M122 HydrophobicContact CG-CE 4.38Å; F119-M122 WeakPolarHBondContact O-CB 3.07Å; F119-M122 PolarHBondContact O-N 2.72Å; F119-M122 VanDerWaalsContact O-N 3.14Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 3.33Å; M122-A125 PolarHBondContact O-N 2.9Å; M122-A125 VanDerWaalsContact O-N 3.16Å; M122-L126 WeakPolarHBondContact O-CB 3.47Å; M122-L126 PolarHBondContact O-N 3.17Å
123	V	96.3	Very high	95	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-46.5	179.7	166	0	0	0	0	111.3	F93 F119 A125 L126 E127 L137 F142	F93-V123 HydrophobicContact CE1-CG2 4.16Å; F93-V123 HydrophobicContact CZ-CG2 4.41Å; F119-V123 HydrophobicContact CD1-CG2 4.1Å; F119-V123 HydrophobicContact CD2-CG2 4.36Å; F119-V123 HydrophobicContact CE1-CG2 3.7Å; F119-V123 HydrophobicContact CE2-CG2 3.94Å; F119-V123 HydrophobicContact CG-CG2 4.42Å; F119-V123 HydrophobicContact CZ-CG2 3.6Å; F119-V123 WeakPolarHBondContact O-CG2 3.34Å; F119-V123 PolarHBondContact O-N 2.89Å; V123-A125 PolarHBondContact O-N 3.44Å; V123-L126 PolarHBondContact O-N 3.04Å; V123-E127 WeakPolarHBondContact O-CB 3.4Å; V123-E127 PolarHBondContact O-N 3.36Å; V123-L137 HydrophobicContact CG1-CD2 3.9Å; V123-F142 HydrophobicContact CG1-CE1 3.87Å; V123-F142 HydrophobicContact CG1-CZ 4.45Å; V123-F142 HydrophobicContact CG2-CE1 3.83Å; V123-F142 HydrophobicContact CG2-CZ 4.18Å
124	N	95.5	Very high	94.9	Very high	73 Å²	73	56.5 Å²	56.5	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-43.3	178	-67.6	-23.5	0	0	0	111.7	Y120 M122 L126 E127 D128 R139	Y120-N124 WeakPolarHBondContact O-CB 2.96Å; Y120-N124 PolarHBondContact O-N 3.37Å; Y120-N124 PolarHBondContact O-ND2 3.22Å; Y120-N124 VanDerWaalsContact O-ND2 3.14Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 3.33Å; N124-L126 VanDerWaalsContact C-N 3.3Å; N124-L126 PolarHBondContact O-N 3.35Å; N124-E127 PolarHBondContact O-N 3.33Å; N124-D128 PolarHBondContact O-N 3.4Å; N124-R139 PolarHBondContact OD1-NH2 2.87Å
125	A	94.8	Very high	95	Very high	25 Å²	25	55.5 Å²	55.5	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-33	176.7	0	0	0	0	0	112.4	Q3 L4 R121 M122 V123 F129	Q3-A125 PolarHBondContact NE2-O 3.14Å; L4-A125 HydrophobicContact CD2-CB 3.81Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.1Å; M122-A125 PolarHBondContact O-N 2.9Å; M122-A125 VanDerWaalsContact O-N 3.16Å; V123-A125 PolarHBondContact O-N 3.44Å; A125-F129 PolarHBondContact O-N 3Å
126	L	95.5	Very high	95.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-71	-45.5	175.6	178	59.9	0	0	0	111.1	L4 F93 V94 M97 M122 V123 N124 D128 F129 L130 L137	L4-L126 HydrophobicContact CD1-CD1 3.89Å; L4-L126 HydrophobicContact CD2-CB 3.99Å; F93-L126 HydrophobicContact CD1-CD2 3.86Å; F93-L126 HydrophobicContact CE1-CD2 3.77Å; V94-L126 HydrophobicContact CG2-CD1 3.65Å; V94-L126 HydrophobicContact CG2-CD2 3.74Å; V94-L126 HydrophobicContact CG2-CG 4.37Å; M97-L126 HydrophobicContact CE-CD2 3.77Å; M122-L126 WeakPolarHBondContact O-CB 3.47Å; M122-L126 PolarHBondContact O-N 3.17Å; V123-L126 PolarHBondContact O-N 3.04Å; N124-L126 VanDerWaalsContact C-N 3.3Å; N124-L126 PolarHBondContact O-N 3.35Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.23Å; L126-F129 HydrophobicContact CD1-CD1 4.37Å; L126-F129 WeakPolarHBondContact O-CA 3.46Å; L126-F129 WeakPolarHBondContact O-CB 3.45Å; L126-F129 PolarHBondContact O-N 3.2Å; L126-L130 HydrophobicContact CD1-CD1 3.94Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.43Å; L126-L130 HydrophobicContact CG-CD1 3.8Å; L126-L130 HydrophobicContact CG-CG 4.29Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 2.87Å; L126-L137 HydrophobicContact CB-CD2 4.46Å; L126-L137 HydrophobicContact CD2-CD1 4.48Å; L126-L137 HydrophobicContact CD2-CD2 4.09Å; L126-L137 HydrophobicContact CG-CD2 4.26Å
127	E	95.9	Very high	95.1	Very high	67 Å²	67	51.8 Å²	51.8	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-57.8	-46.6	176.2	-174.6	176.7	-165.7	0	0	111.5	V123 N124 F129 L130 K131 L137 R139	V123-E127 WeakPolarHBondContact O-CB 3.4Å; V123-E127 PolarHBondContact O-N 3.36Å; N124-E127 PolarHBondContact O-N 3.33Å; E127-F129 PolarHBondContact O-N 3.24Å; E127-L130 PolarHBondContact O-N 3.06Å; E127-K131 VanDerWaalsContact O-CB 3.3Å; E127-K131 WeakPolarHBondContact O-CB 3.27Å; E127-K131 PolarHBondContact O-N 3.45Å; E127-L137 HydrophobicContact CB-CB 4.36Å; E127-L137 HydrophobicContact CB-CD2 4.38Å; E127-L137 HydrophobicContact CG-CB 4.45Å; E127-R139 IonicContact OE2-CZ 3.87Å; E127-R139 IonicContact OE2-NE 2.77Å; E127-R139 IonicContact OE2-NH2 2.85Å; E127-R139 PolarHBondContact OE2-NH2 2.79Å
128	D	94.8	Very high	95.1	Very high	91 Å²	91	51.3 Å²	51.3	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-35.3	175	-79.5	-20.8	0	0	0	112.4	N124 L126 R132	N124-D128 PolarHBondContact O-N 3.4Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D128 PolarHBondContact O-N 3.23Å; D128-R132 WeakPolarHBondContact O-CG 3.24Å
129	F	93.5	Very high	95.1	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-69.8	-47.4	176.9	170.2	-99.3	0	0	0	111.6	M1 Q3 A125 L126 E127 R132 F155	M1-F129 HydrophobicContact CB-CE2 4.3Å; M1-F129 HydrophobicContact CB-CZ 4.3Å; M1-F129 HydrophobicContact CE-CE1 4.14Å; M1-F129 HydrophobicContact CE-CZ 4.35Å; M1-F129 HydrophobicContact CG-CD1 3.53Å; M1-F129 HydrophobicContact CG-CD2 3.92Å; M1-F129 HydrophobicContact CG-CE1 3.2Å; M1-F129 HydrophobicContact CG-CE2 3.63Å; M1-F129 HydrophobicContact CG-CG 3.88Å; M1-F129 HydrophobicContact CG-CZ 3.24Å; M1-F129 HydrophobicContact SD-CD1 4.23Å; M1-F129 HydrophobicContact SD-CE1 3.86Å; M1-F129 HydrophobicContact SD-CZ 4.34Å; Q3-F129 VanDerWaalsContact NE2-CB 3.34Å; Q3-F129 VanDerWaalsContact NE2-N 3.15Å; A125-F129 PolarHBondContact O-N 3Å; L126-F129 HydrophobicContact CD1-CD1 4.37Å; L126-F129 WeakPolarHBondContact O-CA 3.46Å; L126-F129 WeakPolarHBondContact O-CB 3.45Å; L126-F129 PolarHBondContact O-N 3.2Å; E127-F129 PolarHBondContact O-N 3.24Å; F129-R132 PolarHBondContact O-N 2.93Å; F129-F155 AromaticContact CE1-CE2 3.81Å; F129-F155 HydrophobicContact CE1-CE2 3.81Å
130	L	95.2	Very high	94.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-41	-179.4	-70	171.1	0	0	0	111.5	L126 E127 R132 R133 G134 L135 L137 I144 F155	L126-L130 HydrophobicContact CD1-CD1 3.94Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.43Å; L126-L130 HydrophobicContact CG-CD1 3.8Å; L126-L130 HydrophobicContact CG-CG 4.29Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 2.87Å; E127-L130 PolarHBondContact O-N 3.06Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.83Å; L130-R133 CarbonylContact O-C 3.1Å; L130-R133 VanDerWaalsContact O-CA 3.3Å; L130-R133 WeakPolarHBondContact O-CA 3.33Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.99Å; L130-G134 PolarHBondContact O-N 3.18Å; L130-L135 CarbonylContact C-O 3.6Å; L130-L135 HydrophobicContact CB-CB 3.98Å; L130-L135 HydrophobicContact CD2-CB 4.08Å; L130-L135 HydrophobicContact CD2-CD1 3.9Å; L130-L135 PolarHBondContact O-N 3.44Å; L130-L137 HydrophobicContact CD1-CB 3.89Å; L130-L137 HydrophobicContact CD1-CD1 4.39Å; L130-I144 HydrophobicContact CD1-CD1 3.99Å; L130-I144 HydrophobicContact CD1-CG1 3.96Å; L130-I144 HydrophobicContact CD1-CG2 4.38Å; L130-I144 HydrophobicContact CD2-CD1 4.05Å; L130-I144 HydrophobicContact CD2-CG2 4.19Å; L130-F155 HydrophobicContact CD2-CE1 4.35Å; L130-F155 HydrophobicContact CD2-CE2 4.13Å; L130-F155 HydrophobicContact CD2-CZ 4.01Å
131	K	94.7	Very high	94.7	Very high	157 Å²	157	56.1 Å²	56.1	68%	0.683	27%	0.272	S	S	*	.	H	α-helix	trans	-58.3	-39.4	177.6	-175.1	176.2	-177.9	175.3	0	112.7	E127 R133 G134 L135	E127-K131 VanDerWaalsContact O-CB 3.3Å; E127-K131 WeakPolarHBondContact O-CB 3.27Å; E127-K131 PolarHBondContact O-N 3.45Å; K131-R133 PolarHBondContact O-N 2.69Å; K131-R133 VanDerWaalsContact O-N 3.15Å; K131-G134 PolarHBondContact O-N 2.63Å; K131-G134 VanDerWaalsContact O-N 3.09Å; K131-L135 WeakPolarHBondContact CA-O 3.24Å; K131-L135 PolarHBondContact N-O 2.84Å
132	R	92.2	Very high	94.8	Very high	148 Å²	148	48.3 Å²	48.3	56%	0.558	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.8	175.3	-69.1	-174.7	-54.8	-130.8	-4.3	113.6	Q3 D128 F129 L130 Y323	Q3-R132 VanDerWaalsContact OE1-CZ 3.29Å; D128-R132 WeakPolarHBondContact O-CG 3.24Å; F129-R132 PolarHBondContact O-N 2.93Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.83Å; R132-Y323 WeakPolarHBondContact O-CD1 3.28Å
133	R	91.3	Very high	94.9	Very high	15 Å²	15	50.6 Å²	50.6	6%	0.057	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	13	173.9	-67.3	-166	170.9	-146.2	6.2	113.1	L130 K131 L135 Y321 Y323 R324 Q325 I326	L130-R133 CarbonylContact O-C 3.1Å; L130-R133 VanDerWaalsContact O-CA 3.3Å; L130-R133 WeakPolarHBondContact O-CA 3.33Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.99Å; K131-R133 PolarHBondContact O-N 2.69Å; K131-R133 VanDerWaalsContact O-N 3.15Å; R133-L135 PolarHBondContact O-N 3.06Å; R133-Y321 WeakPolarHBondContact CB-OH 3.27Å; R133-Y321 WeakPolarHBondContact O-CE2 3.34Å; R133-Y323 VanDerWaalsContact CA-CD1 3.47Å; R133-Y323 HydrophobicContact CB-CD1 4.49Å; R133-Y323 HydrophobicContact CB-CG 4.48Å; R133-Y323 WeakPolarHBondContact O-CD2 3.4Å; R133-Y323 WeakPolarHBondContact O-CE2 3.29Å; R133-R324 PolarHBondContact NH1-O 3.5Å; R133-R324 PolarHBondContact NH2-O 2.84Å; R133-Q325 PolarHBondContact NH1-O 3.27Å; R133-Q325 PolarHBondContact NH2-O 3.35Å; R133-I326 PolarHBondContact NH2-O 2.71Å
134	G	93.3	Very high	94.9	Very high	19 Å²	19	50.6 Å²	50.6	20%	0.196	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.8	-178.6	0	0	0	0	0	114.1	L130 K131 P147 Y323	L130-G134 PolarHBondContact O-N 3.18Å; K131-G134 PolarHBondContact O-N 2.63Å; K131-G134 VanDerWaalsContact O-N 3.09Å; G134-P147 VanDerWaalsContact O-CD 3.25Å; G134-P147 WeakPolarHBondContact O-CD 3.47Å; G134-Y323 WeakPolarHBondContact CA-OH 3.49Å
135	L	96.1	Very high	95	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	24%	0.239	C	C	.	.			trans	-102.8	157.9	173.9	-62.3	176.7	0	0	0	109.9	L130 K131 R133 I144 W151 V152 F155	L130-L135 CarbonylContact C-O 3.6Å; L130-L135 HydrophobicContact CB-CB 3.98Å; L130-L135 HydrophobicContact CD2-CB 4.08Å; L130-L135 HydrophobicContact CD2-CD1 3.9Å; L130-L135 PolarHBondContact O-N 3.44Å; K131-L135 WeakPolarHBondContact CA-O 3.24Å; K131-L135 PolarHBondContact N-O 2.84Å; R133-L135 PolarHBondContact O-N 3.06Å; L135-I144 HydrophobicContact CB-CG2 4.22Å; L135-I144 HydrophobicContact CD1-CG2 4.17Å; L135-W151 HydrophobicContact CD2-CB 3.77Å; L135-V152 HydrophobicContact CD2-CG2 3.97Å; L135-F155 HydrophobicContact CD1-CB 3.65Å; L135-F155 HydrophobicContact CD1-CD1 4.27Å; L135-F155 HydrophobicContact CD1-CD2 4.02Å; L135-F155 HydrophobicContact CD1-CG 3.69Å
136	Q	97.2	Very high	95	Very high	110 Å²	110	48.2 Å²	48.2	51%	0.514	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.2	178.3	174.9	178.7	-25.6	0	0	109.8	I144 V145	Q136-I144 WeakPolarHBondContact O-CA 3.29Å; Q136-V145 HydrophobicContact CB-CG2 3.86Å; Q136-V145 HydrophobicContact CG-CG2 4.18Å; Q136-V145 PolarHBondContact N-O 3.4Å; Q136-V145 PolarHBondContact O-N 3.22Å
137	L	97.3	Very high	94.9	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.3	167.7	-175.8	62.2	0	0	0	108.5	M97 V123 L126 E127 L130 F142 I144	M97-L137 HydrophobicContact CE-CD1 4.14Å; M97-L137 HydrophobicContact SD-CD1 3.86Å; V123-L137 HydrophobicContact CG1-CD2 3.9Å; L126-L137 HydrophobicContact CB-CD2 4.46Å; L126-L137 HydrophobicContact CD2-CD1 4.48Å; L126-L137 HydrophobicContact CD2-CD2 4.09Å; L126-L137 HydrophobicContact CG-CD2 4.26Å; E127-L137 HydrophobicContact CB-CB 4.36Å; E127-L137 HydrophobicContact CB-CD2 4.38Å; E127-L137 HydrophobicContact CG-CB 4.45Å; L130-L137 HydrophobicContact CD1-CB 3.89Å; L130-L137 HydrophobicContact CD1-CD1 4.39Å; L137-F142 HydrophobicContact CD1-CD1 4.35Å; L137-F142 HydrophobicContact CG-CD1 4.47Å; L137-I144 HydrophobicContact CD1-CG1 4.31Å
138	E	96.7	Very high	94.7	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	150.9	164	-64.8	-174.9	167.6	0	0	109.1	P141 F142 R143 V145	E138-P141 CarbonylContact C-O 3.45Å; E138-P141 VanDerWaalsContact C-O 3.31Å; E138-F142 VanDerWaalsContact O-CA 3.29Å; E138-F142 WeakPolarHBondContact O-CA 3.16Å; E138-R143 HydrophobicContact CB-CG 3.95Å; E138-R143 PolarHBondContact N-O 3.27Å; E138-R143 PolarHBondContact O-N 2.89Å; E138-R143 IonicContact OE2-CZ 2.66Å; E138-R143 IonicContact OE2-NE 3.31Å; E138-R143 PolarHBondContact OE2-NE 3.41Å; E138-R143 IonicContact OE2-NH2 2.6Å; E138-R143 PolarHBondContact OE2-NH2 2.94Å; E138-V145 HydrophobicContact CG-CG1 4.42Å; E138-V145 HydrophobicContact CG-CG2 3.9Å
139	R	94.5	Very high	94.8	Very high	77 Å²	77	47.6 Å²	47.6	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-1.7	-175.6	-55.3	-175	-176.7	-160	-2.5	113.6	N124 E127 P141 F142	N124-R139 PolarHBondContact OD1-NH2 2.87Å; E127-R139 IonicContact OE2-CZ 3.87Å; E127-R139 IonicContact OE2-NE 2.77Å; E127-R139 IonicContact OE2-NH2 2.85Å; E127-R139 PolarHBondContact OE2-NH2 2.79Å; R139-P141 VanDerWaalsContact C-C 3.48Å; R139-P141 CarbonylContact C-O 3.58Å; R139-P141 PolarHBondContact N-O 3.39Å; R139-F142 HydrophobicContact CB-CD1 4.29Å; R139-F142 HydrophobicContact CB-CE1 3.81Å; R139-F142 HydrophobicContact CB-CE2 4.4Å; R139-F142 HydrophobicContact CB-CZ 3.87Å; R139-F142 HydrophobicContact CG-CD1 4.34Å; R139-F142 HydrophobicContact CG-CE1 3.72Å; R139-F142 HydrophobicContact CG-CZ 4.15Å
140	S	90.7	Very high	94.8	Very high	117 Å²	117	48.1 Å²	48.1	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-150.9	76.8	-176.5	-59.4	0	0	0	0	110.1
141	P	94.5	Very high	94.8	Very high	27 Å²	27	50 Å²	50	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.1	172.2	0.6	34.8	-36.3	0	0	0	113.6	S101 N102 E138 R139 R143	S101-P141 WeakPolarHBondContact O-CB 3.31Å; S101-P141 VanDerWaalsContact O-CG 3.27Å; S101-P141 WeakPolarHBondContact O-CG 3.11Å; N102-P141 VanDerWaalsContact C-CB 3.42Å; E138-P141 CarbonylContact C-O 3.45Å; E138-P141 VanDerWaalsContact C-O 3.31Å; R139-P141 VanDerWaalsContact C-C 3.48Å; R139-P141 CarbonylContact C-O 3.58Å; R139-P141 PolarHBondContact N-O 3.39Å; P141-R143 PolarHBondContact O-N 3.49Å
142	F	96.4	Very high	94.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	115.4	176.3	-83.4	-80.7	0	0	0	112.3	F93 M97 S101 Q103 A105 W108 F119 V123 L137 E138 R139	F93-F142 HydrophobicContact CZ-CB 4.38Å; F93-F142 AromaticContact CZ-CD1 3.79Å; F93-F142 HydrophobicContact CZ-CD1 3.79Å; F93-F142 HydrophobicContact CZ-CE1 4.29Å; F93-F142 HydrophobicContact CZ-CG 4.15Å; M97-F142 HydrophobicContact SD-CB 4.14Å; S101-F142 CarbonylContact C-O 3.31Å; S101-F142 WeakPolarHBondContact CA-O 3.35Å; S101-F142 VanDerWaalsContact O-O 3.14Å; Q103-F142 PolarHBondContact O-N 3.1Å; A105-F142 HydrophobicContact CB-CE2 3.87Å; W108-F142 AromaticContact CD1-CD2 3.6Å; W108-F142 AromaticContact CD1-CG 3.94Å; F119-F142 HydrophobicContact CE1-CE1 4.48Å; F119-F142 AromaticContact CE1-CE2 3.98Å; F119-F142 HydrophobicContact CE1-CE2 3.98Å; F119-F142 AromaticContact CE1-CZ 3.7Å; F119-F142 HydrophobicContact CE1-CZ 3.7Å; F119-F142 HydrophobicContact CZ-CD2 4.49Å; F119-F142 HydrophobicContact CZ-CE1 4.22Å; F119-F142 AromaticContact CZ-CE2 3.91Å; F119-F142 HydrophobicContact CZ-CE2 3.91Å; F119-F142 AromaticContact CZ-CZ 3.74Å; F119-F142 HydrophobicContact CZ-CZ 3.74Å; V123-F142 HydrophobicContact CG1-CE1 3.87Å; V123-F142 HydrophobicContact CG1-CZ 4.45Å; V123-F142 HydrophobicContact CG2-CE1 3.83Å; V123-F142 HydrophobicContact CG2-CZ 4.18Å; L137-F142 HydrophobicContact CD1-CD1 4.35Å; L137-F142 HydrophobicContact CG-CD1 4.47Å; E138-F142 VanDerWaalsContact O-CA 3.29Å; E138-F142 WeakPolarHBondContact O-CA 3.16Å; R139-F142 HydrophobicContact CB-CD1 4.29Å; R139-F142 HydrophobicContact CB-CE1 3.81Å; R139-F142 HydrophobicContact CB-CE2 4.4Å; R139-F142 HydrophobicContact CB-CZ 3.87Å; R139-F142 HydrophobicContact CG-CD1 4.34Å; R139-F142 HydrophobicContact CG-CE1 3.72Å; R139-F142 HydrophobicContact CG-CZ 4.15Å
143	R	96.5	Very high	95	Very high	58 Å²	58	35.5 Å²	35.5	22%	0.219	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	155	178.7	58	-171.3	-173	-159.5	-3.4	112.4	E138 P141 V145	E138-R143 HydrophobicContact CB-CG 3.95Å; E138-R143 PolarHBondContact N-O 3.27Å; E138-R143 PolarHBondContact O-N 2.89Å; E138-R143 IonicContact OE2-CZ 2.66Å; E138-R143 IonicContact OE2-NE 3.31Å; E138-R143 PolarHBondContact OE2-NE 3.41Å; E138-R143 IonicContact OE2-NH2 2.6Å; E138-R143 PolarHBondContact OE2-NH2 2.94Å; P141-R143 PolarHBondContact O-N 3.49Å; R143-V145 HydrophobicContact CG-CG1 4.28Å
144	I	97	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	175.7	-55.2	179.3	0	0	0	108.8	M97 L130 L135 Q136 L137 V152 F155 Y156 R211	M97-I144 HydrophobicContact CE-CD1 4.19Å; M97-I144 HydrophobicContact CE-CG1 4.19Å; L130-I144 HydrophobicContact CD1-CD1 3.99Å; L130-I144 HydrophobicContact CD1-CG1 3.96Å; L130-I144 HydrophobicContact CD1-CG2 4.38Å; L130-I144 HydrophobicContact CD2-CD1 4.05Å; L130-I144 HydrophobicContact CD2-CG2 4.19Å; L135-I144 HydrophobicContact CB-CG2 4.22Å; L135-I144 HydrophobicContact CD1-CG2 4.17Å; Q136-I144 WeakPolarHBondContact O-CA 3.29Å; L137-I144 HydrophobicContact CD1-CG1 4.31Å; I144-V152 HydrophobicContact CB-CG1 4.27Å; I144-V152 HydrophobicContact CG2-CG1 4.11Å; I144-V152 HydrophobicContact CG2-CG2 4.42Å; I144-F155 HydrophobicContact CD1-CD1 4.17Å; I144-F155 HydrophobicContact CD1-CE1 3.5Å; I144-F155 HydrophobicContact CD1-CZ 4.22Å; I144-Y156 HydrophobicContact CD1-CE2 4.27Å; I144-R211 PolarHBondContact O-NH2 3.38Å
145	V	96.8	Very high	95.3	Very high	21 Å²	21	34 Å²	34	13%	0.127	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.7	176.5	-59	0	0	0	0	110	Q136 E138 R143 F216	Q136-V145 HydrophobicContact CB-CG2 3.86Å; Q136-V145 HydrophobicContact CG-CG2 4.18Å; Q136-V145 PolarHBondContact N-O 3.4Å; Q136-V145 PolarHBondContact O-N 3.22Å; E138-V145 HydrophobicContact CG-CG1 4.42Å; E138-V145 HydrophobicContact CG-CG2 3.9Å; R143-V145 HydrophobicContact CG-CG1 4.28Å; V145-F216 HydrophobicContact CG1-CE1 4.21Å
146	G	94.7	Very high	95.3	Very high	26 Å²	26	33.7 Å²	33.7	27%	0.268	18%	0.183	S	C	.	.			trans	-146.9	169.5	176.9	0	0	0	0	0	111.3	D148	G146-D148 PolarHBondContact O-N 2.95Å
147	P	92.9	Very high	95.2	Very high	105 Å²	105	29.6 Å²	29.6	68%	0.682	16%	0.163	S	C	*	.	S	Bend	trans	-57.6	-31.5	175.2	-23.3	33.2	0	0	0	112.9	G134 W151	G134-P147 VanDerWaalsContact O-CD 3.25Å; G134-P147 WeakPolarHBondContact O-CD 3.47Å; P147-W151 HydrophobicContact CG-CE3 4.24Å; P147-W151 HydrophobicContact CG-CH2 4.4Å; P147-W151 HydrophobicContact CG-CZ3 3.97Å
148	D	92.6	Very high	95	Very high	26 Å²	26	30.6 Å²	30.6	14%	0.139	17%	0.168	C	C	.	.	S	Bend	trans	-132.3	134.2	173.2	-170.8	-63.3	0	0	0	108.2	G146 R150 W151	G146-D148 PolarHBondContact O-N 2.95Å; D148-R150 PolarHBondContact O-N 3.06Å; D148-R150 VanDerWaalsContact OD1-CB 3.27Å; D148-R150 WeakPolarHBondContact OD1-CB 3.34Å; D148-R150 WeakPolarHBondContact OD1-CG 3.37Å; D148-R150 IonicContact OD1-CZ 2.68Å; D148-R150 PolarHBondContact OD1-N 2.89Å; D148-R150 IonicContact OD1-NE 2.67Å; D148-R150 PolarHBondContact OD1-NE 2.68Å; D148-R150 IonicContact OD1-NH2 2.79Å; D148-R150 IonicContact OD2-CZ 2.84Å; D148-R150 IonicContact OD2-NE 3.97Å; D148-R150 PolarHBondContact OD2-NE 3.05Å; D148-R150 IonicContact OD2-NH2 3.3Å; D148-R150 PolarHBondContact OD2-NH2 3.32Å; D148-W151 HydrophobicContact CB-CG 4.4Å; D148-W151 VanDerWaalsContact O-CB 3.32Å; D148-W151 WeakPolarHBondContact O-CB 3.36Å; D148-W151 PolarHBondContact O-N 3.1Å
149	E	95.7	Very high	94.9	Very high	15 Å²	15	28 Å²	28	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-27	-176.5	172	53.7	-154.1	0	0	112.4	W151 V152 R153 R211 F216	E149-W151 PolarHBondContact O-N 2.97Å; E149-W151 VanDerWaalsContact O-N 3.15Å; E149-V152 WeakPolarHBondContact O-CB 3.22Å; E149-V152 PolarHBondContact O-N 3.41Å; E149-R153 HydrophobicContact CG-CG 4.44Å; E149-R153 WeakPolarHBondContact O-CG 3.28Å; E149-R153 PolarHBondContact O-N 2.93Å; E149-R153 VanDerWaalsContact O-N 3.1Å; E149-R153 IonicContact OE1-NE 3.43Å; E149-R153 PolarHBondContact OE1-NE 2.72Å; E149-R211 VanDerWaalsContact OE1-CB 3.24Å; E149-R211 WeakPolarHBondContact OE1-CB 3.46Å; E149-R211 VanDerWaalsContact OE1-CG 3.25Å; E149-R211 WeakPolarHBondContact OE1-CG 3.46Å; E149-R211 IonicContact OE1-CZ 3.73Å; E149-R211 IonicContact OE1-NE 2.5Å; E149-R211 PolarHBondContact OE1-NE 2.92Å; E149-R211 IonicContact OE1-NH2 2.64Å; E149-R211 IonicContact OE2-CZ 2.83Å; E149-R211 IonicContact OE2-NE 3.58Å; E149-R211 IonicContact OE2-NH2 3.56Å; E149-R211 PolarHBondContact OE2-NH2 3.03Å; E149-F216 HydrophobicContact CG-CB 4.17Å
150	R	94.1	Very high	95	Very high	23 Å²	23	24.3 Å²	24.3	9%	0.087	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-30.4	174.6	-70.4	167.6	-77.7	-155.4	1.7	112.5	D148 V152 R153 F154 L218 R262 T263 F320	D148-R150 PolarHBondContact O-N 3.06Å; D148-R150 VanDerWaalsContact OD1-CB 3.27Å; D148-R150 WeakPolarHBondContact OD1-CB 3.34Å; D148-R150 WeakPolarHBondContact OD1-CG 3.37Å; D148-R150 IonicContact OD1-CZ 2.68Å; D148-R150 PolarHBondContact OD1-N 2.89Å; D148-R150 IonicContact OD1-NE 2.67Å; D148-R150 PolarHBondContact OD1-NE 2.68Å; D148-R150 IonicContact OD1-NH2 2.79Å; D148-R150 IonicContact OD2-CZ 2.84Å; D148-R150 IonicContact OD2-NE 3.97Å; D148-R150 PolarHBondContact OD2-NE 3.05Å; D148-R150 IonicContact OD2-NH2 3.3Å; D148-R150 PolarHBondContact OD2-NH2 3.32Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 3.07Å; R150-R153 PolarHBondContact O-N 2.87Å; R150-F154 HydrophobicContact CB-CD2 4.28Å; R150-F154 HydrophobicContact CB-CE2 4.05Å; R150-F154 WeakPolarHBondContact O-CD2 3.21Å; R150-F154 WeakPolarHBondContact O-CG 3.43Å; R150-F154 PolarHBondContact O-N 3.12Å; R150-L218 HydrophobicContact CG-CD2 3.55Å; R150-R262 WeakPolarHBondContact CD-O 3.27Å; R150-T263 HydrophobicContact CG-CG2 4.48Å; R150-F320 VanDerWaalsContact CZ-CZ 3.47Å; R150-F320 VanDerWaalsContact NE-CE1 3.33Å
151	W	94.8	Very high	95.1	Very high	39 Å²	39	19 Å²	19	15%	0.148	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-39.5	179.3	-65.1	22.9	0	0	0	111	L135 P147 D148 E149 F155 F320 Y321 Y323	L135-W151 HydrophobicContact CD2-CB 3.77Å; P147-W151 HydrophobicContact CG-CE3 4.24Å; P147-W151 HydrophobicContact CG-CH2 4.4Å; P147-W151 HydrophobicContact CG-CZ3 3.97Å; D148-W151 HydrophobicContact CB-CG 4.4Å; D148-W151 VanDerWaalsContact O-CB 3.32Å; D148-W151 WeakPolarHBondContact O-CB 3.36Å; D148-W151 PolarHBondContact O-N 3.1Å; E149-W151 PolarHBondContact O-N 2.97Å; E149-W151 VanDerWaalsContact O-N 3.15Å; W151-F155 WeakPolarHBondContact O-CB 3.46Å; W151-F155 PolarHBondContact O-N 3.46Å; W151-F320 WeakPolarHBondContact CZ2-O 2.86Å; W151-F320 PolarHBondContact NE1-O 3.31Å; W151-Y321 HydrophobicContact CB-CD2 3.91Å; W151-Y321 HydrophobicContact CB-CE2 4.13Å; W151-Y321 AromaticContact CD2-CD2 3.73Å; W151-Y321 HydrophobicContact CD2-CD2 3.73Å; W151-Y321 HydrophobicContact CD2-CE2 4.28Å; W151-Y321 AromaticContact CE3-CD2 3.96Å; W151-Y321 HydrophobicContact CE3-CD2 3.96Å; W151-Y321 HydrophobicContact CE3-CE2 4.12Å; W151-Y321 AromaticContact CG-CD2 3.72Å; W151-Y321 HydrophobicContact CG-CD2 3.72Å; W151-Y321 HydrophobicContact CG-CE2 4.32Å; W151-Y321 HydrophobicContact CG-CG 4.44Å; W151-Y323 HydrophobicContact CE3-CE2 4.09Å; W151-Y323 AromaticContact CH2-CE2 3.82Å; W151-Y323 HydrophobicContact CH2-CE2 3.82Å; W151-Y323 HydrophobicContact CZ3-CD2 4.43Å; W151-Y323 AromaticContact CZ3-CE2 3.48Å; W151-Y323 HydrophobicContact CZ3-CE2 3.48Å; W151-Y323 VanDerWaalsContact CZ3-CE2 3.48Å
152	V	96.1	Very high	95	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.2	-41	175.7	-174	0	0	0	0	109.9	L135 I144 E149 R150 F155 Y156	L135-V152 HydrophobicContact CD2-CG2 3.97Å; I144-V152 HydrophobicContact CB-CG1 4.27Å; I144-V152 HydrophobicContact CG2-CG1 4.11Å; I144-V152 HydrophobicContact CG2-CG2 4.42Å; E149-V152 WeakPolarHBondContact O-CB 3.22Å; E149-V152 PolarHBondContact O-N 3.41Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 3.07Å; V152-F155 WeakPolarHBondContact O-CB 3.08Å; V152-F155 PolarHBondContact O-N 3.3Å; V152-Y156 HydrophobicContact CG1-CD2 3.84Å; V152-Y156 HydrophobicContact CG1-CE2 3.87Å; V152-Y156 WeakPolarHBondContact O-CD2 3.31Å; V152-Y156 PolarHBondContact O-N 3.34Å
153	R	96.3	Very high	94.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-47.2	178.9	-62.4	178.3	-174	170.8	-0.3	112.6	E149 R150 F155 Y156 Q157 L204 V207 R211 F216 E259 T263	E149-R153 HydrophobicContact CG-CG 4.44Å; E149-R153 WeakPolarHBondContact O-CG 3.28Å; E149-R153 PolarHBondContact O-N 2.93Å; E149-R153 VanDerWaalsContact O-N 3.1Å; E149-R153 IonicContact OE1-NE 3.43Å; E149-R153 PolarHBondContact OE1-NE 2.72Å; R150-R153 PolarHBondContact O-N 2.87Å; R153-F155 VanDerWaalsContact C-N 3.31Å; R153-F155 PolarHBondContact O-N 2.87Å; R153-Y156 PolarHBondContact O-N 2.81Å; R153-Q157 WeakPolarHBondContact O-CB 3.47Å; R153-Q157 PolarHBondContact O-N 2.84Å; R153-L204 HydrophobicContact CB-CD1 3.92Å; R153-V207 HydrophobicContact CB-CG1 4.03Å; R153-V207 HydrophobicContact CG-CG1 4.14Å; R153-R211 HydrophobicContact CG-CG 4.24Å; R153-F216 PolarHBondContact NH2-O 3.46Å; R153-E259 IonicContact CZ-OE2 2.58Å; R153-E259 IonicContact NH1-OE2 2.89Å; R153-E259 PolarHBondContact NH1-OE2 3.01Å; R153-E259 IonicContact NH2-OE2 2.65Å; R153-E259 PolarHBondContact NH2-OE2 3.43Å; R153-T263 HydrophobicContact CB-CG2 3.99Å; R153-T263 HydrophobicContact CG-CG2 4.41Å; R153-T263 PolarHBondContact NH1-OG1 3.14Å
154	F	94.5	Very high	94.7	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-35.2	174.9	-70.5	-50	0	0	0	112.5	R150 Q158 L204 H266 F320 Y321	R150-F154 HydrophobicContact CB-CD2 4.28Å; R150-F154 HydrophobicContact CB-CE2 4.05Å; R150-F154 WeakPolarHBondContact O-CD2 3.21Å; R150-F154 WeakPolarHBondContact O-CG 3.43Å; R150-F154 PolarHBondContact O-N 3.12Å; F154-Q158 WeakPolarHBondContact O-CB 3.34Å; F154-Q158 PolarHBondContact O-N 2.82Å; F154-L204 HydrophobicContact CD1-CD1 4.1Å; F154-L204 HydrophobicContact CD1-CD2 4.1Å; F154-L204 HydrophobicContact CE1-CD1 4.34Å; F154-L204 HydrophobicContact CE1-CD2 3.65Å; F154-H266 AromaticContact CE1-CE1 3.74Å; F154-H266 AromaticContact CE1-ND1 3.76Å; F154-H266 HydrophobicContact CZ-CB 4.33Å; F154-H266 AromaticContact CZ-CE1 3.97Å; F154-H266 AromaticContact CZ-CG 3.78Å; F154-H266 AromaticContact CZ-ND1 3.74Å; F154-F320 HydrophobicContact CE2-CB 4.16Å; F154-F320 HydrophobicContact CE2-CD2 4.42Å; F154-F320 HydrophobicContact CE2-CG 4.47Å; F154-Y321 HydrophobicContact CB-CD1 4.02Å; F154-Y321 HydrophobicContact CB-CE1 4.45Å
155	F	95.2	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.6	-53	170.8	167.2	-99	0	0	0	110.9	M1 V94 F129 L130 L135 I144 W151 V152 R153 Q158 Y159 M327	M1-F155 HydrophobicContact CE-CE2 3.89Å; M1-F155 HydrophobicContact CE-CZ 4.08Å; V94-F155 HydrophobicContact CG1-CE1 3.9Å; V94-F155 HydrophobicContact CG1-CZ 3.83Å; F129-F155 AromaticContact CE1-CE2 3.81Å; F129-F155 HydrophobicContact CE1-CE2 3.81Å; L130-F155 HydrophobicContact CD2-CE1 4.35Å; L130-F155 HydrophobicContact CD2-CE2 4.13Å; L130-F155 HydrophobicContact CD2-CZ 4.01Å; L135-F155 HydrophobicContact CD1-CB 3.65Å; L135-F155 HydrophobicContact CD1-CD1 4.27Å; L135-F155 HydrophobicContact CD1-CD2 4.02Å; L135-F155 HydrophobicContact CD1-CG 3.69Å; I144-F155 HydrophobicContact CD1-CD1 4.17Å; I144-F155 HydrophobicContact CD1-CE1 3.5Å; I144-F155 HydrophobicContact CD1-CZ 4.22Å; W151-F155 WeakPolarHBondContact O-CB 3.46Å; W151-F155 PolarHBondContact O-N 3.46Å; V152-F155 WeakPolarHBondContact O-CB 3.08Å; V152-F155 PolarHBondContact O-N 3.3Å; R153-F155 VanDerWaalsContact C-N 3.31Å; R153-F155 PolarHBondContact O-N 2.87Å; F155-Q158 PolarHBondContact O-N 2.97Å; F155-Y159 PolarHBondContact O-N 3.34Å; F155-M327 HydrophobicContact CD2-CE 3.31Å; F155-M327 HydrophobicContact CE2-CE 3.29Å; F155-M327 HydrophobicContact CE2-SD 4.44Å; F155-M327 HydrophobicContact CG-CE 4.09Å; F155-M327 HydrophobicContact CZ-CE 4.1Å; F155-M327 WeakPolarHBondContact O-CE 3.48Å
156	Y	96.5	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-38.7	-179.8	-84.5	-66.2	0	0	0	113.4	V94 L98 I144 V152 R153 Q158 Y159 F160 V207	V94-Y156 HydrophobicContact CG1-CE1 4.12Å; V94-Y156 VanDerWaalsContact O-CE1 3.23Å; V94-Y156 WeakPolarHBondContact O-CE1 3.37Å; V94-Y156 PolarHBondContact O-OH 2.86Å; L98-Y156 HydrophobicContact CB-CD1 4.19Å; L98-Y156 HydrophobicContact CB-CE1 3.81Å; L98-Y156 HydrophobicContact CB-CE2 4.37Å; L98-Y156 HydrophobicContact CD1-CD2 4.03Å; L98-Y156 HydrophobicContact CD1-CE2 4.16Å; L98-Y156 HydrophobicContact CD1-CG 4.29Å; L98-Y156 HydrophobicContact CD2-CD1 4.27Å; L98-Y156 HydrophobicContact CD2-CG 4.35Å; L98-Y156 PolarHBondContact N-OH 3.03Å; I144-Y156 HydrophobicContact CD1-CE2 4.27Å; V152-Y156 HydrophobicContact CG1-CD2 3.84Å; V152-Y156 HydrophobicContact CG1-CE2 3.87Å; V152-Y156 WeakPolarHBondContact O-CD2 3.31Å; V152-Y156 PolarHBondContact O-N 3.34Å; R153-Y156 PolarHBondContact O-N 2.81Å; Y156-Q158 VanDerWaalsContact C-N 3.28Å; Y156-Q158 PolarHBondContact O-N 3.25Å; Y156-Y159 WeakPolarHBondContact O-CA 3.5Å; Y156-Y159 VanDerWaalsContact O-CB 3.31Å; Y156-Y159 WeakPolarHBondContact O-CB 3.43Å; Y156-Y159 PolarHBondContact O-N 2.99Å; Y156-F160 HydrophobicContact CD1-CE2 4.15Å; Y156-F160 WeakPolarHBondContact O-CD2 3.1Å; Y156-F160 PolarHBondContact O-N 2.95Å; Y156-V207 HydrophobicContact CG-CG1 4.47Å
157	Q	95.3	Very high	92.7	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-47.4	173.2	179.7	-161.3	12.3	0	0	111.2	R153 Y159 F160 S161 E200 L204	R153-Q157 WeakPolarHBondContact O-CB 3.47Å; R153-Q157 PolarHBondContact O-N 2.84Å; Q157-Y159 VanDerWaalsContact C-N 3.31Å; Q157-Y159 PolarHBondContact O-N 3.3Å; Q157-F160 PolarHBondContact O-N 3.35Å; Q157-S161 VanDerWaalsContact O-CB 3.31Å; Q157-S161 WeakPolarHBondContact O-CB 3.4Å; Q157-S161 PolarHBondContact O-N 3.31Å; Q157-S161 PolarHBondContact O-OG 2.97Å; Q157-E200 WeakPolarHBondContact CG-O 3.37Å; Q157-E200 PolarHBondContact NE2-O 3.48Å; Q157-L204 HydrophobicContact CB-CB 4.21Å; Q157-L204 HydrophobicContact CB-CD1 3.9Å; Q157-L204 HydrophobicContact CG-CB 3.85Å; Q157-L204 HydrophobicContact CG-CD1 4.37Å
158	Q	93.1	Very high	92.5	Very high	26 Å²	26	27.1 Å²	27.1	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-33.5	178.5	177.5	67.1	28.3	0	0	112	F154 F155 Y156 E162 Q325 M327	F154-Q158 WeakPolarHBondContact O-CB 3.34Å; F154-Q158 PolarHBondContact O-N 2.82Å; F155-Q158 PolarHBondContact O-N 2.97Å; Y156-Q158 VanDerWaalsContact C-N 3.28Å; Y156-Q158 PolarHBondContact O-N 3.25Å; Q158-E162 PolarHBondContact NE2-OE1 2.93Å; Q158-E162 PolarHBondContact O-N 2.8Å; Q158-Q325 HydrophobicContact CG-CB 4.2Å; Q158-Q325 VanDerWaalsContact CG-O 3.27Å; Q158-Q325 WeakPolarHBondContact CG-O 3.4Å; Q158-M327 HydrophobicContact CB-CE 3.9Å; Q158-M327 HydrophobicContact CG-CE 3.94Å; Q158-M327 HydrophobicContact CG-CG 3.91Å; Q158-M327 HydrophobicContact CG-SD 4.11Å
159	Y	95.2	Very high	92.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-55.5	172.1	176	-82.8	0	0	0	110.6	M1 Y85 F91 V94 E95 F155 Y156 Q157 S161 E162 A163 M327	M1-Y159 HydrophobicContact CE-CD2 3.99Å; Y85-Y159 HydrophobicContact CD1-CD2 4.28Å; Y85-Y159 AromaticContact CD1-CE2 3.6Å; Y85-Y159 HydrophobicContact CD1-CE2 3.6Å; Y85-Y159 AromaticContact CD1-CZ 3.82Å; Y85-Y159 AromaticContact CE1-CD2 3.84Å; Y85-Y159 HydrophobicContact CE1-CD2 3.84Å; Y85-Y159 AromaticContact CE1-CE2 3.58Å; Y85-Y159 HydrophobicContact CE1-CE2 3.58Å; F91-Y159 HydrophobicContact CB-CE2 4.18Å; F91-Y159 HydrophobicContact CD1-CE2 4.41Å; F91-Y159 PolarHBondContact O-OH 2.95Å; F91-Y159 VanDerWaalsContact O-OH 3.08Å; V94-Y159 HydrophobicContact CB-CE2 4.26Å; V94-Y159 HydrophobicContact CG1-CD2 3.91Å; V94-Y159 HydrophobicContact CG1-CE2 3.98Å; E95-Y159 HydrophobicContact CB-CE1 3.74Å; E95-Y159 WeakPolarHBondContact CB-OH 3.07Å; E95-Y159 HydrophobicContact CG-CE1 3.78Å; E95-Y159 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y159 PolarHBondContact OE2-OH 3.42Å; F155-Y159 PolarHBondContact O-N 3.34Å; Y156-Y159 WeakPolarHBondContact O-CA 3.5Å; Y156-Y159 VanDerWaalsContact O-CB 3.31Å; Y156-Y159 WeakPolarHBondContact O-CB 3.43Å; Y156-Y159 PolarHBondContact O-N 2.99Å; Q157-Y159 VanDerWaalsContact C-N 3.31Å; Q157-Y159 PolarHBondContact O-N 3.3Å; Y159-S161 VanDerWaalsContact C-N 3.29Å; Y159-S161 PolarHBondContact O-N 3Å; Y159-E162 PolarHBondContact O-N 2.72Å; Y159-A163 HydrophobicContact CE1-CB 4.18Å; Y159-A163 WeakPolarHBondContact O-CB 3.46Å; Y159-A163 PolarHBondContact O-N 2.88Å; Y159-M327 WeakPolarHBondContact CA-SD 3.47Å; Y159-M327 HydrophobicContact CD2-SD 4.37Å; Y159-M327 VanDerWaalsContact N-CE 3.3Å; Y159-M327 PolarHBondContact N-SD 2.96Å; Y159-M327 VanDerWaalsContact N-SD 3.41Å
160	F	95.7	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-36.5	-179.1	-70.5	-69	0	0	0	112.3	E95 L98 Y156 Q157 E162 A163 Y164 P170 F171 Y203 V207	E95-F160 HydrophobicContact CG-CE1 3.76Å; E95-F160 HydrophobicContact CG-CZ 3.9Å; L98-F160 HydrophobicContact CD2-CE2 3.43Å; L98-F160 VanDerWaalsContact CD2-CE2 3.43Å; L98-F160 HydrophobicContact CD2-CZ 3.72Å; Y156-F160 HydrophobicContact CD1-CE2 4.15Å; Y156-F160 WeakPolarHBondContact O-CD2 3.1Å; Y156-F160 PolarHBondContact O-N 2.95Å; Q157-F160 PolarHBondContact O-N 3.35Å; F160-E162 VanDerWaalsContact C-N 3.31Å; F160-E162 PolarHBondContact O-N 2.99Å; F160-A163 PolarHBondContact O-N 3.01Å; F160-Y164 HydrophobicContact CB-CD2 4.42Å; F160-Y164 AromaticContact CD1-CD2 3.71Å; F160-Y164 HydrophobicContact CD1-CD2 3.71Å; F160-Y164 AromaticContact CD1-CE2 3.62Å; F160-Y164 HydrophobicContact CD1-CE2 3.62Å; F160-Y164 HydrophobicContact CE1-CE2 4.04Å; F160-Y164 WeakPolarHBondContact O-CB 3.2Å; F160-Y164 PolarHBondContact O-N 3.49Å; F160-P170 HydrophobicContact CD1-CB 4.42Å; F160-P170 HydrophobicContact CD1-CG 3.56Å; F160-P170 HydrophobicContact CE1-CB 4.4Å; F160-P170 HydrophobicContact CE1-CG 3.89Å; F160-F171 HydrophobicContact CB-CZ 4.5Å; F160-F171 HydrophobicContact CD1-CE2 4.36Å; F160-F171 AromaticContact CD1-CZ 3.88Å; F160-F171 HydrophobicContact CD1-CZ 3.88Å; F160-F171 HydrophobicContact CD2-CE1 4.4Å; F160-F171 AromaticContact CD2-CZ 3.72Å; F160-F171 HydrophobicContact CD2-CZ 3.72Å; F160-F171 HydrophobicContact CE1-CE1 4.25Å; F160-F171 AromaticContact CE1-CZ 3.98Å; F160-F171 HydrophobicContact CE1-CZ 3.98Å; F160-F171 HydrophobicContact CE2-CE1 4.08Å; F160-F171 AromaticContact CE2-CZ 3.86Å; F160-F171 HydrophobicContact CE2-CZ 3.86Å; F160-F171 HydrophobicContact CG-CE2 4.35Å; F160-F171 AromaticContact CG-CZ 3.76Å; F160-F171 HydrophobicContact CG-CZ 3.76Å; F160-F171 AromaticContact CZ-CE1 3.99Å; F160-F171 HydrophobicContact CZ-CE1 3.99Å; F160-F171 AromaticContact CZ-CZ 3.98Å; F160-F171 HydrophobicContact CZ-CZ 3.98Å; F160-Y203 HydrophobicContact CB-CD1 4.28Å; F160-Y203 HydrophobicContact CB-CD2 4.04Å; F160-Y203 HydrophobicContact CB-CE2 4.37Å; F160-Y203 HydrophobicContact CB-CG 3.98Å; F160-V207 HydrophobicContact CD2-CG2 3.82Å; F160-V207 HydrophobicContact CE2-CG2 3.86Å
161	S	93.4	Very high	92.4	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-35.7	176.4	-59.3	0	0	0	0	113.2	Q157 Y159 G165	Q157-S161 VanDerWaalsContact O-CB 3.31Å; Q157-S161 WeakPolarHBondContact O-CB 3.4Å; Q157-S161 PolarHBondContact O-N 3.31Å; Q157-S161 PolarHBondContact O-OG 2.97Å; Y159-S161 VanDerWaalsContact C-N 3.29Å; Y159-S161 PolarHBondContact O-N 3Å; S161-G165 PolarHBondContact O-N 2.82Å
162	E	92.4	Very high	92.2	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-83.2	-35.5	176	-79.9	-173.2	-135.7	0	0	113.2	Y85 Q158 Y159 F160 M327 L328 Y329	Y85-E162 HydrophobicContact CE2-CB 3.78Å; Y85-E162 PolarHBondContact OH-OE2 3.49Å; Y85-E162 VanDerWaalsContact OH-OE2 3.14Å; Q158-E162 PolarHBondContact NE2-OE1 2.93Å; Q158-E162 PolarHBondContact O-N 2.8Å; Y159-E162 PolarHBondContact O-N 2.72Å; F160-E162 VanDerWaalsContact C-N 3.31Å; F160-E162 PolarHBondContact O-N 2.99Å; E162-M327 WeakPolarHBondContact OE1-CB 3.31Å; E162-M327 PolarHBondContact OE1-N 2.78Å; E162-L328 PolarHBondContact OE2-N 3.1Å; E162-Y329 PolarHBondContact OE2-N 2.75Å
163	A	93.7	Very high	91.9	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-74.8	-39.4	-177.1	0	0	0	0	0	113.1	G82 Y85 Y159 F160	G82-A163 WeakPolarHBondContact CA-O 3.47Å; Y85-A163 HydrophobicContact CD1-CB 3.89Å; Y85-A163 HydrophobicContact CD2-CB 3.85Å; Y85-A163 HydrophobicContact CE1-CB 4.5Å; Y85-A163 HydrophobicContact CE2-CB 4.45Å; Y85-A163 HydrophobicContact CG-CB 3.56Å; Y159-A163 HydrophobicContact CE1-CB 4.18Å; Y159-A163 WeakPolarHBondContact O-CB 3.46Å; Y159-A163 PolarHBondContact O-N 2.88Å; F160-A163 PolarHBondContact O-N 3.01Å
164	Y	93	Very high	91.8	Very high	48 Å²	48	36.7 Å²	36.7	19%	0.188	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-17.2	-168.6	-64	-77.6	0	0	0	113.9	E95 F160 Q168 P170 Y203	E95-Y164 PolarHBondContact OE1-OH 3.47Å; E95-Y164 PolarHBondContact OE2-OH 3.34Å; F160-Y164 HydrophobicContact CB-CD2 4.42Å; F160-Y164 AromaticContact CD1-CD2 3.71Å; F160-Y164 HydrophobicContact CD1-CD2 3.71Å; F160-Y164 AromaticContact CD1-CE2 3.62Å; F160-Y164 HydrophobicContact CD1-CE2 3.62Å; F160-Y164 HydrophobicContact CE1-CE2 4.04Å; F160-Y164 WeakPolarHBondContact O-CB 3.2Å; F160-Y164 PolarHBondContact O-N 3.49Å; Y164-Q168 HydrophobicContact CD1-CB 3.79Å; Y164-Q168 HydrophobicContact CG-CB 4.32Å; Y164-P170 HydrophobicContact CD1-CB 3.96Å; Y164-P170 HydrophobicContact CD1-CG 4.22Å; Y164-P170 HydrophobicContact CD2-CB 3.95Å; Y164-P170 HydrophobicContact CD2-CG 3.59Å; Y164-P170 HydrophobicContact CE1-CB 3.65Å; Y164-P170 HydrophobicContact CE1-CG 4.32Å; Y164-P170 HydrophobicContact CE2-CB 3.64Å; Y164-P170 HydrophobicContact CE2-CG 3.71Å; Y164-P170 HydrophobicContact CG-CB 4.09Å; Y164-P170 HydrophobicContact CG-CG 3.85Å; Y164-P170 VanDerWaalsContact CZ-CB 3.47Å; Y164-Y203 WeakPolarHBondContact CB-OH 3.38Å
165	G	88	Confident	91.8	Very high	28 Å²	28	39.7 Å²	39.7	29%	0.289	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-134.8	178.8	0	0	0	0	0	112.4	S161 Y203	S161-G165 PolarHBondContact O-N 2.82Å; G165-Y203 WeakPolarHBondContact O-CE2 3.37Å; G165-Y203 PolarHBondContact O-OH 3.05Å
166	A	79.9	Confident	91.7	Very high	52 Å²	52	46.6 Å²	46.6	43%	0.43	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-17.4	-179.8	0	0	0	0	0	113.8
167	N	77.9	Confident	91.6	Very high	156 Å²	156	49.6 Å²	49.6	83%	0.834	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-1.9	-165.4	-63.6	-20.8	0	0	0	113.6
168	Q	88.3	Confident	91.5	Very high	102 Å²	102	48.4 Å²	48.4	48%	0.477	26%	0.259	S	S	.	.			trans	-124.9	133.6	-179.3	-65.3	177.6	-16.7	0	0	109.6	Y164 Y203	Y164-Q168 HydrophobicContact CD1-CB 3.79Å; Y164-Q168 HydrophobicContact CG-CB 4.32Å; Q168-Y203 PolarHBondContact O-OH 3.16Å
169	W	94.2	Very high	91.5	Very high	50 Å²	50	48.3 Å²	48.3	19%	0.189	26%	0.26	C	S	.	.			trans	-115.7	104.6	178.9	-173.7	-110.1	0	0	0	109.3	F171 L173 H175 T178 A202 Y203 M206	W169-F171 VanDerWaalsContact C-N 3.29Å; W169-F171 AromaticContact CD2-CD2 3.87Å; W169-F171 HydrophobicContact CD2-CD2 3.87Å; W169-F171 AromaticContact CE2-CD2 3.69Å; W169-F171 AromaticContact CE3-CD2 3.97Å; W169-F171 HydrophobicContact CE3-CD2 3.97Å; W169-F171 HydrophobicContact CE3-CE2 4.46Å; W169-F171 AromaticContact CH2-CD2 3.79Å; W169-F171 HydrophobicContact CH2-CD2 3.79Å; W169-F171 HydrophobicContact CH2-CE2 4.29Å; W169-F171 HydrophobicContact CZ2-CB 4.04Å; W169-F171 AromaticContact CZ2-CD2 3.67Å; W169-F171 HydrophobicContact CZ2-CD2 3.67Å; W169-F171 HydrophobicContact CZ2-CG 4.17Å; W169-F171 AromaticContact CZ3-CD2 3.94Å; W169-F171 HydrophobicContact CZ3-CD2 3.94Å; W169-F171 HydrophobicContact CZ3-CE2 4.23Å; W169-F171 PolarHBondContact O-N 3.03Å; W169-L173 PolarHBondContact NE1-O 2.93Å; W169-H175 HydrophobicContact CB-CB 4.05Å; W169-H175 HydrophobicContact CD2-CB 3.84Å; W169-H175 AromaticContact CD2-CD2 3.52Å; W169-H175 AromaticContact CD2-CG 3.77Å; W169-H175 AromaticContact CE3-CD2 3.35Å; W169-H175 AromaticContact CE3-NE2 3.91Å; W169-H175 HydrophobicContact CG-CB 3.59Å; W169-H175 AromaticContact CG-CG 3.77Å; W169-H175 AromaticContact CZ3-CD2 3.77Å; W169-T178 HydrophobicContact CH2-CG2 3.83Å; W169-T178 HydrophobicContact CZ2-CG2 3.99Å; W169-A202 HydrophobicContact CH2-CB 3.89Å; W169-A202 HydrophobicContact CZ3-CB 3.92Å; W169-Y203 AromaticContact CE3-CD1 4Å; W169-Y203 HydrophobicContact CE3-CD1 4Å; W169-Y203 AromaticContact CE3-CE1 3.56Å; W169-Y203 HydrophobicContact CE3-CE1 3.56Å; W169-Y203 HydrophobicContact CH2-CD1 4.35Å; W169-Y203 AromaticContact CZ3-CD1 3.48Å; W169-Y203 HydrophobicContact CZ3-CD1 3.48Å; W169-Y203 VanDerWaalsContact CZ3-CD1 3.48Å; W169-Y203 AromaticContact CZ3-CE1 3.55Å; W169-Y203 HydrophobicContact CZ3-CE1 3.55Å; W169-M206 HydrophobicContact CH2-CG 3.38Å; W169-M206 HydrophobicContact CH2-SD 4.34Å; W169-M206 HydrophobicContact CZ2-CG 3.43Å; W169-M206 VanDerWaalsContact CZ2-CG 3.43Å; W169-M206 HydrophobicContact CZ2-SD 3.87Å
170	P	94.1	Very high	91.4	Very high	31 Å²	31	51.1 Å²	51.1	20%	0.201	28%	0.278	C	S	.	.			trans	-87.7	5.3	-173.5	35.6	-37.1	0	0	0	113.6	F160 Y164	F160-P170 HydrophobicContact CD1-CB 4.42Å; F160-P170 HydrophobicContact CD1-CG 3.56Å; F160-P170 HydrophobicContact CE1-CB 4.4Å; F160-P170 HydrophobicContact CE1-CG 3.89Å; Y164-P170 HydrophobicContact CD1-CB 3.96Å; Y164-P170 HydrophobicContact CD1-CG 4.22Å; Y164-P170 HydrophobicContact CD2-CB 3.95Å; Y164-P170 HydrophobicContact CD2-CG 3.59Å; Y164-P170 HydrophobicContact CE1-CB 3.65Å; Y164-P170 HydrophobicContact CE1-CG 4.32Å; Y164-P170 HydrophobicContact CE2-CB 3.64Å; Y164-P170 HydrophobicContact CE2-CG 3.71Å; Y164-P170 HydrophobicContact CG-CB 4.09Å; Y164-P170 HydrophobicContact CG-CG 3.85Å; Y164-P170 VanDerWaalsContact CZ-CB 3.47Å
171	F	93.5	Very high	91.2	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	28%	0.279	C	S	.	.	S	Bend	trans	-99.5	152.9	-176.5	-54.8	-83	0	0	0	111.3	Y99 F160 W169 L173 Y203 M206	Y99-F171 HydrophobicContact CE1-CD1 4.45Å; Y99-F171 WeakPolarHBondContact OH-CD1 3.5Å; Y99-F171 VanDerWaalsContact OH-CE1 3.28Å; Y99-F171 WeakPolarHBondContact OH-CE1 3.4Å; F160-F171 HydrophobicContact CB-CZ 4.5Å; F160-F171 HydrophobicContact CD1-CE2 4.36Å; F160-F171 AromaticContact CD1-CZ 3.88Å; F160-F171 HydrophobicContact CD1-CZ 3.88Å; F160-F171 HydrophobicContact CD2-CE1 4.4Å; F160-F171 AromaticContact CD2-CZ 3.72Å; F160-F171 HydrophobicContact CD2-CZ 3.72Å; F160-F171 HydrophobicContact CE1-CE1 4.25Å; F160-F171 AromaticContact CE1-CZ 3.98Å; F160-F171 HydrophobicContact CE1-CZ 3.98Å; F160-F171 HydrophobicContact CE2-CE1 4.08Å; F160-F171 AromaticContact CE2-CZ 3.86Å; F160-F171 HydrophobicContact CE2-CZ 3.86Å; F160-F171 HydrophobicContact CG-CE2 4.35Å; F160-F171 AromaticContact CG-CZ 3.76Å; F160-F171 HydrophobicContact CG-CZ 3.76Å; F160-F171 AromaticContact CZ-CE1 3.99Å; F160-F171 HydrophobicContact CZ-CE1 3.99Å; F160-F171 AromaticContact CZ-CZ 3.98Å; F160-F171 HydrophobicContact CZ-CZ 3.98Å; W169-F171 VanDerWaalsContact C-N 3.29Å; W169-F171 AromaticContact CD2-CD2 3.87Å; W169-F171 HydrophobicContact CD2-CD2 3.87Å; W169-F171 AromaticContact CE2-CD2 3.69Å; W169-F171 AromaticContact CE3-CD2 3.97Å; W169-F171 HydrophobicContact CE3-CD2 3.97Å; W169-F171 HydrophobicContact CE3-CE2 4.46Å; W169-F171 AromaticContact CH2-CD2 3.79Å; W169-F171 HydrophobicContact CH2-CD2 3.79Å; W169-F171 HydrophobicContact CH2-CE2 4.29Å; W169-F171 HydrophobicContact CZ2-CB 4.04Å; W169-F171 AromaticContact CZ2-CD2 3.67Å; W169-F171 HydrophobicContact CZ2-CD2 3.67Å; W169-F171 HydrophobicContact CZ2-CG 4.17Å; W169-F171 AromaticContact CZ3-CD2 3.94Å; W169-F171 HydrophobicContact CZ3-CD2 3.94Å; W169-F171 HydrophobicContact CZ3-CE2 4.23Å; W169-F171 PolarHBondContact O-N 3.03Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-Y203 HydrophobicContact CD2-CD1 4.37Å; F171-Y203 AromaticContact CE2-CD1 3.51Å; F171-Y203 HydrophobicContact CE2-CD1 3.51Å; F171-Y203 AromaticContact CE2-CE1 3.9Å; F171-Y203 HydrophobicContact CE2-CE1 3.9Å; F171-Y203 HydrophobicContact CE2-CG 4.5Å; F171-Y203 HydrophobicContact CZ-CD1 4.33Å; F171-M206 HydrophobicContact CB-CE 3.75Å; F171-M206 HydrophobicContact CB-CG 4.35Å; F171-M206 HydrophobicContact CB-SD 4.49Å; F171-M206 HydrophobicContact CD1-CB 3.72Å; F171-M206 HydrophobicContact CD1-CE 3.82Å; F171-M206 HydrophobicContact CD1-CG 4.11Å; F171-M206 HydrophobicContact CD2-CB 4.04Å; F171-M206 HydrophobicContact CD2-CG 3.82Å; F171-M206 HydrophobicContact CE1-CB 3.61Å; F171-M206 HydrophobicContact CE1-CG 4.4Å; F171-M206 HydrophobicContact CE2-CB 3.97Å; F171-M206 HydrophobicContact CE2-CG 4.16Å; F171-M206 HydrophobicContact CG-CB 3.92Å; F171-M206 HydrophobicContact CG-CE 3.86Å; F171-M206 HydrophobicContact CG-CG 3.81Å; F171-M206 HydrophobicContact CZ-CB 3.74Å; F171-M206 HydrophobicContact CZ-CG 4.42Å
172	T	89.9	Confident	91.2	Very high	114 Å²	114	51 Å²	51	70%	0.699	28%	0.277	S	S	*	.	S	Bend	trans	-83.6	-5.2	177.8	61.5	0	0	0	0	113.6	K248	T172-K248 VanDerWaalsContact CB-NZ 3.32Å; T172-K248 PolarHBondContact O-NZ 3.11Å; T172-K248 WeakPolarHBondContact OG1-CE 3.31Å; T172-K248 PolarHBondContact OG1-NZ 3.16Å
173	L	90.7	Very high	91.1	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	30%	0.295	C	S	.	.	S	Bend	trans	-84.6	154.7	170.2	-65.6	-172.4	0	0	0	110	W169 F171 H175 M206 L209 L244 L245 K248	W169-L173 PolarHBondContact NE1-O 2.93Å; F171-L173 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3Å; L173-M206 HydrophobicContact CB-CE 3.84Å; L173-M206 HydrophobicContact CB-SD 3.96Å; L173-M206 HydrophobicContact CD1-CE 3.43Å; L173-M206 VanDerWaalsContact CD1-CE 3.43Å; L173-M206 HydrophobicContact CD1-SD 3.76Å; L173-M206 HydrophobicContact CG-CE 3.7Å; L173-M206 HydrophobicContact CG-SD 4.27Å; L173-L209 HydrophobicContact CD1-CD1 4.15Å; L173-L244 HydrophobicContact CB-CD1 4.26Å; L173-L244 HydrophobicContact CB-CG 4.38Å; L173-L244 HydrophobicContact CD1-CD2 4.09Å; L173-L244 HydrophobicContact CD1-CG 4.01Å; L173-L244 WeakPolarHBondContact CD2-O 3.35Å; L173-L245 HydrophobicContact CD1-CD2 3.73Å; L173-L245 HydrophobicContact CD2-CD2 4.43Å; L173-K248 HydrophobicContact CD2-CD 4.17Å; L173-K248 HydrophobicContact CD2-CG 3.79Å
174	D	93.2	Very high	90.8	Very high	81 Å²	81	61.3 Å²	61.3	43%	0.433	32%	0.319	S	S	.	.			trans	-67.1	130.7	-176.1	-174.4	-88.4	0	0	0	111.9	E176 E177 T178	D174-E176 WeakPolarHBondContact OD1-CA 3.45Å; D174-E176 WeakPolarHBondContact OD1-CB 3.26Å; D174-E176 PolarHBondContact OD1-N 3.21Å; D174-E177 HydrophobicContact CB-CB 4.1Å; D174-E177 HydrophobicContact CB-CG 4.14Å; D174-E177 PolarHBondContact OD1-N 3.29Å; D174-T178 VanDerWaalsContact O-CB 3.25Å; D174-T178 WeakPolarHBondContact O-CB 3.44Å; D174-T178 PolarHBondContact O-N 2.99Å; D174-T178 VanDerWaalsContact O-N 3.08Å; D174-T178 PolarHBondContact O-OG1 3.42Å
175	H	94.6	Very high	90.4	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.296	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-40.6	-176.6	-178.2	-146.9	0	0	0	112.3	W169 L173 T179 Q199	W169-H175 HydrophobicContact CB-CB 4.05Å; W169-H175 HydrophobicContact CD2-CB 3.84Å; W169-H175 AromaticContact CD2-CD2 3.52Å; W169-H175 AromaticContact CD2-CG 3.77Å; W169-H175 AromaticContact CE3-CD2 3.35Å; W169-H175 AromaticContact CE3-NE2 3.91Å; W169-H175 HydrophobicContact CG-CB 3.59Å; W169-H175 AromaticContact CG-CG 3.77Å; W169-H175 AromaticContact CZ3-CD2 3.77Å; L173-H175 PolarHBondContact O-N 3Å; H175-T179 PolarHBondContact NE2-OG1 3.39Å; H175-T179 VanDerWaalsContact O-CB 3.29Å; H175-T179 WeakPolarHBondContact O-CB 3.48Å; H175-T179 PolarHBondContact O-N 2.87Å; H175-T179 PolarHBondContact O-OG1 2.91Å; H175-Q199 PolarHBondContact NE2-OE1 3.41Å
176	E	93.5	Very high	90.3	Very high	146 Å²	146	58 Å²	58	68%	0.682	30%	0.299	S	S	*	.	H	α-helix	trans	-70.1	-46.2	-177	-175.8	176.7	175.6	0	0	110.2	D174 T178 T179 C180	D174-E176 WeakPolarHBondContact OD1-CA 3.45Å; D174-E176 WeakPolarHBondContact OD1-CB 3.26Å; D174-E176 PolarHBondContact OD1-N 3.21Å; E176-T178 PolarHBondContact O-N 3.43Å; E176-T179 PolarHBondContact O-N 3.41Å; E176-C180 WeakPolarHBondContact O-CB 3.4Å; E176-C180 PolarHBondContact O-N 3.47Å; E176-C180 PolarHBondContact O-SG 2.93Å
177	E	93.2	Very high	90.4	Very high	62 Å²	62	60.5 Å²	60.5	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175.2	-67.5	-170.9	170.6	0	0	111.1	D174 T179 C180 F181 F240 H243 L244	D174-E177 HydrophobicContact CB-CB 4.1Å; D174-E177 HydrophobicContact CB-CG 4.14Å; D174-E177 PolarHBondContact OD1-N 3.29Å; E177-T179 VanDerWaalsContact C-N 3.34Å; E177-T179 PolarHBondContact O-N 3.16Å; E177-C180 PolarHBondContact O-N 3.25Å; E177-F181 PolarHBondContact O-N 3.07Å; E177-F240 HydrophobicContact CB-CZ 4.07Å; E177-F240 WeakPolarHBondContact O-CE1 3.23Å; E177-F240 WeakPolarHBondContact O-CZ 3.25Å; E177-H243 IonicContact OE1-CD2 2.87Å; E177-H243 IonicContact OE1-CE1 3.34Å; E177-H243 IonicContact OE1-NE2 3.85Å; E177-H243 PolarHBondContact OE1-NE2 3.2Å; E177-H243 IonicContact OE2-CD2 3.73Å; E177-H243 PolarHBondContact OE2-CD2 3.44Å; E177-H243 VanDerWaalsContact OE2-CD2 3.3Å; E177-H243 IonicContact OE2-NE2 3.21Å; E177-H243 PolarHBondContact OE2-NE2 3.17Å; E177-L244 HydrophobicContact CB-CD1 3.73Å
178	T	94.5	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-44.9	176.6	-58.8	0	0	0	0	111.4	W169 D174 E176 F181 I182 A202 F205 M206	W169-T178 HydrophobicContact CH2-CG2 3.83Å; W169-T178 HydrophobicContact CZ2-CG2 3.99Å; D174-T178 VanDerWaalsContact O-CB 3.25Å; D174-T178 WeakPolarHBondContact O-CB 3.44Å; D174-T178 PolarHBondContact O-N 2.99Å; D174-T178 VanDerWaalsContact O-N 3.08Å; D174-T178 PolarHBondContact O-OG1 3.42Å; E176-T178 PolarHBondContact O-N 3.43Å; T178-F181 WeakPolarHBondContact O-CB 3.4Å; T178-F181 PolarHBondContact O-N 3.27Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.22Å; T178-A202 HydrophobicContact CG2-CB 3.99Å; T178-F205 HydrophobicContact CG2-CD1 3.84Å; T178-F205 HydrophobicContact CG2-CE1 4.37Å; T178-M206 HydrophobicContact CG2-CG 4.33Å; T178-M206 HydrophobicContact CG2-SD 4.21Å
179	T	93.4	Very high	90	Very high	24 Å²	24	54 Å²	54	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-43	177.1	-68	0	0	0	0	111.4	H175 E176 E177 F181 I182 M183 I198	H175-T179 PolarHBondContact NE2-OG1 3.39Å; H175-T179 VanDerWaalsContact O-CB 3.29Å; H175-T179 WeakPolarHBondContact O-CB 3.48Å; H175-T179 PolarHBondContact O-N 2.87Å; H175-T179 PolarHBondContact O-OG1 2.91Å; E176-T179 PolarHBondContact O-N 3.41Å; E177-T179 VanDerWaalsContact C-N 3.34Å; E177-T179 PolarHBondContact O-N 3.16Å; T179-F181 VanDerWaalsContact C-N 3.29Å; T179-F181 PolarHBondContact O-N 2.89Å; T179-I182 PolarHBondContact O-N 3.06Å; T179-M183 HydrophobicContact CG2-CG 4.23Å; T179-M183 HydrophobicContact CG2-SD 3.75Å; T179-M183 WeakPolarHBondContact O-CG 3.27Å; T179-M183 PolarHBondContact O-N 3.46Å; T179-I198 HydrophobicContact CG2-CG2 3.54Å
180	C	92.4	Very high	89.2	Confident	58 Å²	58	56.8 Å²	56.8	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-39.3	176.1	-73.8	0	0	0	0	112.1	E176 E177 R184 F240	E176-C180 WeakPolarHBondContact O-CB 3.4Å; E176-C180 PolarHBondContact O-N 3.47Å; E176-C180 PolarHBondContact O-SG 2.93Å; E177-C180 PolarHBondContact O-N 3.25Å; C180-R184 VanDerWaalsContact O-CB 3.28Å; C180-R184 WeakPolarHBondContact O-CB 3.16Å; C180-R184 PolarHBondContact O-N 2.76Å; C180-F240 HydrophobicContact CB-CZ 4.43Å
181	F	92.2	Very high	88.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-52.1	173.5	-179.4	-104.8	0	0	0	111.7	E177 T178 T179 R184 T185 F205 L234 S237 F240 W256 V260	E177-F181 PolarHBondContact O-N 3.07Å; T178-F181 WeakPolarHBondContact O-CB 3.4Å; T178-F181 PolarHBondContact O-N 3.27Å; T179-F181 VanDerWaalsContact C-N 3.29Å; T179-F181 PolarHBondContact O-N 2.89Å; F181-R184 PolarHBondContact O-N 2.85Å; F181-T185 HydrophobicContact CD2-CG2 4.45Å; F181-T185 HydrophobicContact CE1-CG2 4.43Å; F181-T185 HydrophobicContact CE2-CG2 4.15Å; F181-T185 HydrophobicContact CZ-CG2 4.12Å; F181-T185 WeakPolarHBondContact O-CB 3.3Å; F181-T185 WeakPolarHBondContact O-CG2 3.27Å; F181-T185 PolarHBondContact O-N 3.2Å; F181-T185 PolarHBondContact O-OG1 3.27Å; F181-F205 HydrophobicContact CD1-CD1 4.14Å; F181-F205 AromaticContact CD1-CE1 3.76Å; F181-F205 HydrophobicContact CD1-CE1 3.76Å; F181-F205 HydrophobicContact CD1-CE2 4.22Å; F181-F205 HydrophobicContact CD1-CG 4.49Å; F181-F205 AromaticContact CD1-CZ 3.79Å; F181-F205 HydrophobicContact CD1-CZ 3.79Å; F181-F205 HydrophobicContact CE1-CD1 4.47Å; F181-F205 HydrophobicContact CE1-CD2 4.09Å; F181-F205 HydrophobicContact CE1-CE1 4.05Å; F181-F205 AromaticContact CE1-CE2 3.65Å; F181-F205 HydrophobicContact CE1-CE2 3.65Å; F181-F205 HydrophobicContact CE1-CG 4.47Å; F181-F205 AromaticContact CE1-CZ 3.6Å; F181-F205 HydrophobicContact CE1-CZ 3.6Å; F181-F205 HydrophobicContact CG-CE1 4.39Å; F181-F205 HydrophobicContact CG-CZ 4.48Å; F181-F205 HydrophobicContact CZ-CE2 4.23Å; F181-F205 HydrophobicContact CZ-CZ 4.13Å; F181-L234 HydrophobicContact CE1-CD2 4.48Å; F181-L234 HydrophobicContact CZ-CD2 3.92Å; F181-S237 VanDerWaalsContact CE2-OG 3.29Å; F181-S237 WeakPolarHBondContact CE2-OG 3.49Å; F181-F240 HydrophobicContact CB-CD1 3.87Å; F181-F240 HydrophobicContact CB-CE1 3.47Å; F181-F240 VanDerWaalsContact CB-CE1 3.47Å; F181-F240 HydrophobicContact CB-CZ 4.21Å; F181-F240 AromaticContact CD2-CD1 3.43Å; F181-F240 HydrophobicContact CD2-CD1 3.43Å; F181-F240 VanDerWaalsContact CD2-CD1 3.43Å; F181-F240 AromaticContact CD2-CE1 3.99Å; F181-F240 HydrophobicContact CD2-CE1 3.99Å; F181-F240 HydrophobicContact CD2-CG 4.19Å; F181-F240 HydrophobicContact CE2-CD1 4.37Å; F181-F240 HydrophobicContact CG-CD1 4.04Å; F181-F240 HydrophobicContact CG-CE1 4.14Å; F181-W256 HydrophobicContact CE2-CH2 4.16Å; F181-W256 AromaticContact CZ-CH2 3.84Å; F181-W256 HydrophobicContact CZ-CH2 3.84Å; F181-W256 HydrophobicContact CZ-CZ3 4.16Å; F181-V260 HydrophobicContact CE1-CG1 4.42Å
182	I	93	Very high	87.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-46.6	-179	-63.5	-61	0	0	0	110.7	T178 T179 R184 T185 S186 L193 I198 A201 A202 F205 V264	T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.22Å; T179-I182 PolarHBondContact O-N 3.06Å; I182-R184 PolarHBondContact O-N 3.19Å; I182-T185 PolarHBondContact O-OG1 3.33Å; I182-S186 WeakPolarHBondContact O-CB 3.44Å; I182-S186 PolarHBondContact O-N 2.98Å; I182-S186 PolarHBondContact O-OG 2.82Å; I182-L193 HydrophobicContact CG2-CD1 4.06Å; I182-I198 HydrophobicContact CG2-CG2 4.41Å; I182-A201 HydrophobicContact CD1-CB 4.38Å; I182-A201 HydrophobicContact CG2-CB 3.78Å; I182-A202 HydrophobicContact CG1-CB 4.3Å; I182-F205 HydrophobicContact CD1-CB 3.97Å; I182-F205 HydrophobicContact CD1-CG 4.3Å; I182-V264 HydrophobicContact CD1-CG1 3.87Å
183	M	90.6	Very high	87.7	Confident	91 Å²	91	55.4 Å²	55.4	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-44.5	-179.4	-71.1	176.7	70.8	0	0	112.2	T179 S186 T187 I198	T179-M183 HydrophobicContact CG2-CG 4.23Å; T179-M183 HydrophobicContact CG2-SD 3.75Å; T179-M183 WeakPolarHBondContact O-CG 3.27Å; T179-M183 PolarHBondContact O-N 3.46Å; M183-S186 PolarHBondContact O-N 3.42Å; M183-T187 WeakPolarHBondContact O-CB 3.45Å; M183-T187 PolarHBondContact O-N 3.35Å; M183-T187 PolarHBondContact O-OG1 3.35Å; M183-I198 HydrophobicContact CG-CD1 3.75Å; M183-I198 HydrophobicContact CG-CG1 4.2Å; M183-I198 HydrophobicContact CG-CG2 4.17Å; M183-I198 HydrophobicContact SD-CD1 4.22Å
184	R	86.3	Confident	87.6	Confident	147 Å²	147	56.5 Å²	56.5	56%	0.555	29%	0.294	S	S	*	.	H	α-helix	trans	-63.1	-51	-179.6	-177.7	177.2	177.6	-179.7	-0.9	111.3	C180 F181 I182 S186 T187 D188	C180-R184 VanDerWaalsContact O-CB 3.28Å; C180-R184 WeakPolarHBondContact O-CB 3.16Å; C180-R184 PolarHBondContact O-N 2.76Å; F181-R184 PolarHBondContact O-N 2.85Å; I182-R184 PolarHBondContact O-N 3.19Å; R184-S186 PolarHBondContact O-N 3.48Å; R184-T187 PolarHBondContact O-N 2.96Å; R184-D188 PolarHBondContact O-N 3.44Å; R184-D188 VanDerWaalsContact O-N 3.17Å
185	T	85.1	Confident	87.4	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-40.9	179.1	47.9	0	0	0	0	111.7	F181 I182 T187 D188 F189 L234 F265	F181-T185 HydrophobicContact CD2-CG2 4.45Å; F181-T185 HydrophobicContact CE1-CG2 4.43Å; F181-T185 HydrophobicContact CE2-CG2 4.15Å; F181-T185 HydrophobicContact CZ-CG2 4.12Å; F181-T185 WeakPolarHBondContact O-CB 3.3Å; F181-T185 WeakPolarHBondContact O-CG2 3.27Å; F181-T185 PolarHBondContact O-N 3.2Å; F181-T185 PolarHBondContact O-OG1 3.27Å; I182-T185 PolarHBondContact O-OG1 3.33Å; T185-T187 PolarHBondContact O-N 2.88Å; T185-D188 PolarHBondContact O-N 3.1Å; T185-F189 WeakPolarHBondContact O-CD2 3.22Å; T185-F189 VanDerWaalsContact O-CE2 3.27Å; T185-F189 WeakPolarHBondContact O-CE2 3.2Å; T185-F189 WeakPolarHBondContact O-CG 3.31Å; T185-F189 PolarHBondContact O-N 3.39Å; T185-L234 HydrophobicContact CG2-CD2 3.79Å; T185-F265 WeakPolarHBondContact OG1-CZ 3.45Å
186	S	85.5	Confident	87.2	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-39.2	176.7	-55.8	0	0	0	0	112.9	I182 M183 R184 D188 F189 D190 V191 L193	I182-S186 WeakPolarHBondContact O-CB 3.44Å; I182-S186 PolarHBondContact O-N 2.98Å; I182-S186 PolarHBondContact O-OG 2.82Å; M183-S186 PolarHBondContact O-N 3.42Å; R184-S186 PolarHBondContact O-N 3.48Å; S186-D188 VanDerWaalsContact C-N 3.32Å; S186-D188 PolarHBondContact O-N 2.76Å; S186-F189 CarbonylContact O-C 3.49Å; S186-F189 PolarHBondContact O-N 3.28Å; S186-F189 VanDerWaalsContact O-N 3.11Å; S186-D190 PolarHBondContact O-N 3.05Å; S186-V191 PolarHBondContact O-N 3.16Å; S186-V191 VanDerWaalsContact O-N 3.09Å; S186-L193 WeakPolarHBondContact OG-CD1 3.45Å
187	T	83	Confident	87.1	Confident	105 Å²	105	54 Å²	54	64%	0.644	28%	0.282	S	S	*	.	H	α-helix	trans	-62.5	-40.6	176.6	-57.5	0	0	0	0	111.2	M183 R184 T185 F189 D190	M183-T187 WeakPolarHBondContact O-CB 3.45Å; M183-T187 PolarHBondContact O-N 3.35Å; M183-T187 PolarHBondContact O-OG1 3.35Å; R184-T187 PolarHBondContact O-N 2.96Å; T185-T187 PolarHBondContact O-N 2.88Å; T187-F189 PolarHBondContact O-N 3.21Å; T187-D190 PolarHBondContact O-N 3.31Å
188	D	79.1	Confident	87.1	Confident	96 Å²	96	51.7 Å²	51.7	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-21.4	177.3	-67.8	-26.4	0	0	0	112.5	R184 T185 S186 V233	R184-D188 PolarHBondContact O-N 3.44Å; R184-D188 VanDerWaalsContact O-N 3.17Å; T185-D188 PolarHBondContact O-N 3.1Å; S186-D188 VanDerWaalsContact C-N 3.32Å; S186-D188 PolarHBondContact O-N 2.76Å; D188-V233 HydrophobicContact CB-CG1 4.04Å
189	F	77.6	Confident	87.1	Confident	26 Å²	26	52.1 Å²	52.1	11%	0.114	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	6.3	179.5	-52.9	-35.7	0	0	0	114.1	T185 S186 T187 V191 I230 V233 L234 F265 F268	T185-F189 WeakPolarHBondContact O-CD2 3.22Å; T185-F189 VanDerWaalsContact O-CE2 3.27Å; T185-F189 WeakPolarHBondContact O-CE2 3.2Å; T185-F189 WeakPolarHBondContact O-CG 3.31Å; T185-F189 PolarHBondContact O-N 3.39Å; S186-F189 CarbonylContact O-C 3.49Å; S186-F189 PolarHBondContact O-N 3.28Å; S186-F189 VanDerWaalsContact O-N 3.11Å; T187-F189 PolarHBondContact O-N 3.21Å; F189-V191 HydrophobicContact CB-CG2 3.81Å; F189-V191 PolarHBondContact O-N 3.19Å; F189-I230 HydrophobicContact CD1-CG1 3.91Å; F189-I230 HydrophobicContact CE1-CB 4.06Å; F189-I230 HydrophobicContact CE1-CG1 3.83Å; F189-I230 HydrophobicContact CE1-CG2 4.16Å; F189-I230 HydrophobicContact CE2-CG2 3.93Å; F189-I230 HydrophobicContact CG-CG1 4.37Å; F189-I230 HydrophobicContact CZ-CB 4.09Å; F189-I230 HydrophobicContact CZ-CG1 4.21Å; F189-I230 HydrophobicContact CZ-CG2 3.68Å; F189-V233 HydrophobicContact CE1-CB 3.67Å; F189-V233 HydrophobicContact CE1-CG1 3.69Å; F189-V233 HydrophobicContact CE1-CG2 3.96Å; F189-V233 HydrophobicContact CZ-CB 3.87Å; F189-V233 HydrophobicContact CZ-CG1 3.69Å; F189-L234 HydrophobicContact CZ-CG 4.37Å; F189-F265 AromaticContact CD2-CD1 3.8Å; F189-F265 HydrophobicContact CD2-CD1 3.8Å; F189-F265 HydrophobicContact CD2-CE1 4Å; F189-F265 HydrophobicContact CD2-CG 4.34Å; F189-F265 AromaticContact CE2-CD1 3.92Å; F189-F265 HydrophobicContact CE2-CD1 3.92Å; F189-F265 HydrophobicContact CE2-CD2 4.33Å; F189-F265 HydrophobicContact CE2-CE1 4.02Å; F189-F265 HydrophobicContact CE2-CE2 4.42Å; F189-F265 HydrophobicContact CE2-CG 4.1Å; F189-F265 HydrophobicContact CE2-CZ 4.3Å; F189-F268 HydrophobicContact CB-CE2 4.14Å; F189-F268 HydrophobicContact CB-CZ 3.96Å
190	D	77.5	Confident	87.1	Confident	108 Å²	108	53 Å²	53	58%	0.578	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	34.6	-175.7	-161.6	20.4	0	0	0	112.6	S186 T187 R305	S186-D190 PolarHBondContact O-N 3.05Å; T187-D190 PolarHBondContact O-N 3.31Å; D190-R305 PolarHBondContact O-NH2 3.12Å; D190-R305 IonicContact OD1-CZ 3.48Å; D190-R305 IonicContact OD1-NH1 2.71Å; D190-R305 IonicContact OD1-NH2 3.92Å; D190-R305 PolarHBondContact OD1-NH2 3.39Å; D190-R305 IonicContact OD2-CZ 3.29Å; D190-R305 IonicContact OD2-NH1 3.37Å; D190-R305 PolarHBondContact OD2-NH1 3.11Å; D190-R305 IonicContact OD2-NH2 3.49Å; D190-R305 PolarHBondContact OD2-NH2 3.17Å
191	V	79.1	Confident	87.2	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.067	26%	0.263	C	S	.	.			trans	-94.2	114.2	174.9	177.5	0	0	0	0	107.9	S186 F189 L193 E267 F268 Q309	S186-V191 PolarHBondContact O-N 3.16Å; S186-V191 VanDerWaalsContact O-N 3.09Å; F189-V191 HydrophobicContact CB-CG2 3.81Å; F189-V191 PolarHBondContact O-N 3.19Å; V191-L193 HydrophobicContact CG1-CD1 4.43Å; V191-L193 HydrophobicContact CG1-CD2 3.48Å; V191-L193 VanDerWaalsContact CG1-CD2 3.48Å; V191-L193 HydrophobicContact CG1-CG 3.7Å; V191-L193 PolarHBondContact O-N 3.43Å; V191-E267 WeakPolarHBondContact CG1-OE1 3.33Å; V191-E267 VanDerWaalsContact CG2-OE1 3.26Å; V191-E267 WeakPolarHBondContact CG2-OE1 3.16Å; V191-F268 HydrophobicContact CG2-CE2 3.64Å; V191-F268 HydrophobicContact CG2-CZ 3.33Å; V191-Q309 VanDerWaalsContact CG1-NE2 3.26Å
192	S	79.8	Confident	87.4	Confident	76 Å²	76	50.7 Å²	50.7	53%	0.531	26%	0.262	S	S	.	.			trans	-83.5	112.5	171	-178.7	0	0	0	0	108.7	K306	S192-K306 PolarHBondContact O-NZ 3.07Å
193	L	87.6	Confident	87.6	Confident	43 Å²	43	50.8 Å²	50.8	23%	0.225	26%	0.262	C	S	.	.			trans	-110	137.9	171.8	-58.7	-178.1	0	0	0	109.8	I182 S186 V191 E197 I198	I182-L193 HydrophobicContact CG2-CD1 4.06Å; S186-L193 WeakPolarHBondContact OG-CD1 3.45Å; V191-L193 HydrophobicContact CG1-CD1 4.43Å; V191-L193 HydrophobicContact CG1-CD2 3.48Å; V191-L193 VanDerWaalsContact CG1-CD2 3.48Å; V191-L193 HydrophobicContact CG1-CG 3.7Å; V191-L193 PolarHBondContact O-N 3.43Å; L193-E197 VanDerWaalsContact CA-OE2 3.28Å; L193-E197 WeakPolarHBondContact CA-OE2 3.31Å; L193-E197 HydrophobicContact CB-CB 4.11Å; L193-E197 HydrophobicContact CD2-CB 3.96Å; L193-I198 HydrophobicContact CB-CD1 4.37Å; L193-I198 HydrophobicContact CB-CG1 3.63Å; L193-I198 HydrophobicContact CD1-CG1 4.25Å
194	D	89.2	Confident	87.9	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.203	24%	0.241	C	C	.	.			trans	-83.7	171.1	165.8	72.1	41.6	0	0	0	111.6	R196 E197 I198 K379	D194-R196 PolarHBondContact O-N 3.44Å; D194-R196 VanDerWaalsContact O-N 3.1Å; D194-R196 VanDerWaalsContact OD1-CA 3.26Å; D194-R196 WeakPolarHBondContact OD1-CA 2.91Å; D194-R196 WeakPolarHBondContact OD1-CB 3.18Å; D194-R196 PolarHBondContact OD1-N 3.46Å; D194-E197 PolarHBondContact N-OE2 3.02Å; D194-E197 PolarHBondContact O-N 2.77Å; D194-E197 VanDerWaalsContact O-N 3.1Å; D194-E197 WeakPolarHBondContact OD1-CG 3.35Å; D194-E197 PolarHBondContact OD1-N 2.59Å; D194-I198 WeakPolarHBondContact O-CB 3.45Å; D194-I198 VanDerWaalsContact O-CG1 3.24Å; D194-I198 WeakPolarHBondContact O-CG1 3.49Å; D194-I198 PolarHBondContact O-N 3.45Å; D194-K379 IonicContact OD2-NZ 2.93Å; D194-K379 PolarHBondContact OD2-NZ 3.04Å
195	D	89.2	Confident	88.4	Confident	143 Å²	143	39.5 Å²	39.5	77%	0.765	22%	0.215	S	C	*	.	H	α-helix	trans	-52.4	-35.9	-179.2	-57.2	-15.8	0	0	0	113.7	Q199	D195-Q199 WeakPolarHBondContact O-CB 3.39Å; D195-Q199 PolarHBondContact O-N 3.49Å; D195-Q199 VanDerWaalsContact O-N 3.09Å
196	R	89	Confident	88.9	Confident	72 Å²	72	39.5 Å²	39.5	27%	0.272	22%	0.215	S	C	.	.	H	α-helix	trans	-75.4	-43.5	-179.3	-178.5	-173.5	-175.9	87.5	52.5	111.2	D194 I198 Q199 E200 Y332	D194-R196 PolarHBondContact O-N 3.44Å; D194-R196 VanDerWaalsContact O-N 3.1Å; D194-R196 VanDerWaalsContact OD1-CA 3.26Å; D194-R196 WeakPolarHBondContact OD1-CA 2.91Å; D194-R196 WeakPolarHBondContact OD1-CB 3.18Å; D194-R196 PolarHBondContact OD1-N 3.46Å; R196-I198 VanDerWaalsContact C-N 3.32Å; R196-Q199 WeakPolarHBondContact O-CB 3.32Å; R196-Q199 PolarHBondContact O-N 3.4Å; R196-E200 HydrophobicContact CG-CG 4.48Å; R196-E200 IonicContact CZ-OE1 2.7Å; R196-E200 IonicContact NE-OE1 3.33Å; R196-E200 PolarHBondContact NE-OE1 3.3Å; R196-E200 IonicContact NH2-OE1 3.27Å; R196-E200 PolarHBondContact NH2-OE1 3.11Å; R196-E200 WeakPolarHBondContact O-CB 3.44Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.24Å; R196-E200 PolarHBondContact O-N 3.34Å; R196-Y332 PolarHBondContact NE-OH 3.01Å
197	E	91.5	Very high	89.5	Confident	23 Å²	23	39.3 Å²	39.3	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-37.7	178.3	-64.9	162	157.2	0	0	110.6	L193 D194 Q199 E200 A201 K306 Q310	L193-E197 VanDerWaalsContact CA-OE2 3.28Å; L193-E197 WeakPolarHBondContact CA-OE2 3.31Å; L193-E197 HydrophobicContact CB-CB 4.11Å; L193-E197 HydrophobicContact CD2-CB 3.96Å; D194-E197 PolarHBondContact N-OE2 3.02Å; D194-E197 PolarHBondContact O-N 2.77Å; D194-E197 VanDerWaalsContact O-N 3.1Å; D194-E197 WeakPolarHBondContact OD1-CG 3.35Å; D194-E197 PolarHBondContact OD1-N 2.59Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-E200 PolarHBondContact O-N 2.95Å; E197-A201 VanDerWaalsContact O-CB 3.27Å; E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 3.32Å; E197-K306 IonicContact OE1-NZ 3.37Å; E197-K306 PolarHBondContact OE1-NZ 3.08Å; E197-K306 IonicContact OE2-NZ 2.61Å; E197-K306 PolarHBondContact OE2-NZ 3.01Å; E197-Q310 PolarHBondContact OE1-OE1 3.09Å
198	I	93.6	Very high	90.2	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-48.6	170.1	-70	165.5	0	0	0	110.1	T179 I182 M183 L193 D194 R196 A201 A202	T179-I198 HydrophobicContact CG2-CG2 3.54Å; I182-I198 HydrophobicContact CG2-CG2 4.41Å; M183-I198 HydrophobicContact CG-CD1 3.75Å; M183-I198 HydrophobicContact CG-CG1 4.2Å; M183-I198 HydrophobicContact CG-CG2 4.17Å; M183-I198 HydrophobicContact SD-CD1 4.22Å; L193-I198 HydrophobicContact CB-CD1 4.37Å; L193-I198 HydrophobicContact CB-CG1 3.63Å; L193-I198 HydrophobicContact CD1-CG1 4.25Å; D194-I198 WeakPolarHBondContact O-CB 3.45Å; D194-I198 VanDerWaalsContact O-CG1 3.24Å; D194-I198 WeakPolarHBondContact O-CG1 3.49Å; D194-I198 PolarHBondContact O-N 3.45Å; R196-I198 VanDerWaalsContact C-N 3.32Å; I198-A201 PolarHBondContact O-N 2.63Å; I198-A202 WeakPolarHBondContact O-CB 3.45Å; I198-A202 PolarHBondContact O-N 3.01Å
199	Q	94.6	Very high	90.9	Very high	10 Å²	10	30 Å²	30	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-44.9	178.3	-172	70.2	7.2	0	0	112.4	H175 D195 R196 E197 A201 A202 Y203	H175-Q199 PolarHBondContact NE2-OE1 3.41Å; D195-Q199 WeakPolarHBondContact O-CB 3.39Å; D195-Q199 PolarHBondContact O-N 3.49Å; D195-Q199 VanDerWaalsContact O-N 3.09Å; R196-Q199 WeakPolarHBondContact O-CB 3.32Å; R196-Q199 PolarHBondContact O-N 3.4Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-A201 VanDerWaalsContact C-N 3.29Å; Q199-A201 PolarHBondContact O-N 3.04Å; Q199-A202 WeakPolarHBondContact O-CB 3.41Å; Q199-A202 PolarHBondContact O-N 2.85Å; Q199-Y203 HydrophobicContact CG-CD2 4.28Å; Q199-Y203 HydrophobicContact CG-CE1 4.35Å; Q199-Y203 HydrophobicContact CG-CE2 3.75Å; Q199-Y203 PolarHBondContact NE2-OH 3.2Å; Q199-Y203 PolarHBondContact O-N 3.42Å
200	E	93.6	Very high	91.8	Very high	41 Å²	41	29.6 Å²	29.6	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-36.2	179	-72	176.9	-178.1	0	0	110.6	Q157 R196 E197 L204 K331	Q157-E200 WeakPolarHBondContact CG-O 3.37Å; Q157-E200 PolarHBondContact NE2-O 3.48Å; R196-E200 HydrophobicContact CG-CG 4.48Å; R196-E200 IonicContact CZ-OE1 2.7Å; R196-E200 IonicContact NE-OE1 3.33Å; R196-E200 PolarHBondContact NE-OE1 3.3Å; R196-E200 IonicContact NH2-OE1 3.27Å; R196-E200 PolarHBondContact NH2-OE1 3.11Å; R196-E200 WeakPolarHBondContact O-CB 3.44Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.24Å; R196-E200 PolarHBondContact O-N 3.34Å; E197-E200 PolarHBondContact O-N 2.95Å; E200-L204 PolarHBondContact O-N 3.2Å; E200-L204 VanDerWaalsContact O-N 3.11Å; E200-K331 IonicContact OE1-NZ 2.8Å; E200-K331 PolarHBondContact OE1-NZ 3.16Å
201	A	94.7	Very high	92.7	Very high	15 Å²	15	24.5 Å²	24.5	12%	0.124	13%	0.131	C	C	.	.	H	α-helix	trans	-70.2	-38.8	172.5	0	0	0	0	0	112.6	I182 E197 I198 Q199 L204 F205 V264	I182-A201 HydrophobicContact CD1-CB 4.38Å; I182-A201 HydrophobicContact CG2-CB 3.78Å; E197-A201 VanDerWaalsContact O-CB 3.27Å; E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 3.32Å; I198-A201 PolarHBondContact O-N 2.63Å; Q199-A201 VanDerWaalsContact C-N 3.29Å; Q199-A201 PolarHBondContact O-N 3.04Å; A201-L204 PolarHBondContact O-N 3.06Å; A201-F205 WeakPolarHBondContact O-CB 3.46Å; A201-F205 PolarHBondContact O-N 2.8Å; A201-V264 HydrophobicContact CB-CG1 4.39Å
202	A	96.1	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-43.5	174.1	0	0	0	0	0	111.3	W169 T178 I182 I198 Q199 L204 F205 M206	W169-A202 HydrophobicContact CH2-CB 3.89Å; W169-A202 HydrophobicContact CZ3-CB 3.92Å; T178-A202 HydrophobicContact CG2-CB 3.99Å; I182-A202 HydrophobicContact CG1-CB 4.3Å; I198-A202 WeakPolarHBondContact O-CB 3.45Å; I198-A202 PolarHBondContact O-N 3.01Å; Q199-A202 WeakPolarHBondContact O-CB 3.41Å; Q199-A202 PolarHBondContact O-N 2.85Å; A202-L204 PolarHBondContact O-N 2.88Å; A202-F205 PolarHBondContact O-N 3.21Å; A202-M206 WeakPolarHBondContact O-CG 3.06Å; A202-M206 PolarHBondContact O-N 3.49Å
203	Y	97	Very high	94.1	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-45.4	172.1	-68.5	-24.9	0	0	0	112.3	F160 Y164 G165 Q168 W169 F171 Q199 F205 M206 V207	F160-Y203 HydrophobicContact CB-CD1 4.28Å; F160-Y203 HydrophobicContact CB-CD2 4.04Å; F160-Y203 HydrophobicContact CB-CE2 4.37Å; F160-Y203 HydrophobicContact CB-CG 3.98Å; Y164-Y203 WeakPolarHBondContact CB-OH 3.38Å; G165-Y203 WeakPolarHBondContact O-CE2 3.37Å; G165-Y203 PolarHBondContact O-OH 3.05Å; Q168-Y203 PolarHBondContact O-OH 3.16Å; W169-Y203 AromaticContact CE3-CD1 4Å; W169-Y203 HydrophobicContact CE3-CD1 4Å; W169-Y203 AromaticContact CE3-CE1 3.56Å; W169-Y203 HydrophobicContact CE3-CE1 3.56Å; W169-Y203 HydrophobicContact CH2-CD1 4.35Å; W169-Y203 AromaticContact CZ3-CD1 3.48Å; W169-Y203 HydrophobicContact CZ3-CD1 3.48Å; W169-Y203 VanDerWaalsContact CZ3-CD1 3.48Å; W169-Y203 AromaticContact CZ3-CE1 3.55Å; W169-Y203 HydrophobicContact CZ3-CE1 3.55Å; F171-Y203 HydrophobicContact CD2-CD1 4.37Å; F171-Y203 AromaticContact CE2-CD1 3.51Å; F171-Y203 HydrophobicContact CE2-CD1 3.51Å; F171-Y203 AromaticContact CE2-CE1 3.9Å; F171-Y203 HydrophobicContact CE2-CE1 3.9Å; F171-Y203 HydrophobicContact CE2-CG 4.5Å; F171-Y203 HydrophobicContact CZ-CD1 4.33Å; Q199-Y203 HydrophobicContact CG-CD2 4.28Å; Q199-Y203 HydrophobicContact CG-CE1 4.35Å; Q199-Y203 HydrophobicContact CG-CE2 3.75Å; Q199-Y203 PolarHBondContact NE2-OH 3.2Å; Q199-Y203 PolarHBondContact O-N 3.42Å; Y203-F205 VanDerWaalsContact C-N 3.3Å; Y203-F205 PolarHBondContact O-N 3.11Å; Y203-M206 PolarHBondContact O-N 2.9Å; Y203-V207 WeakPolarHBondContact O-CB 3.36Å; Y203-V207 VanDerWaalsContact O-CG2 3.22Å; Y203-V207 WeakPolarHBondContact O-CG2 3.46Å; Y203-V207 PolarHBondContact O-N 2.94Å
204	L	96.2	Very high	94.3	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-37.7	178.7	-172.3	54.2	0	0	0	112.1	R153 F154 Q157 E200 A201 A202 T208 T263 V264	R153-L204 HydrophobicContact CB-CD1 3.92Å; F154-L204 HydrophobicContact CD1-CD1 4.1Å; F154-L204 HydrophobicContact CD1-CD2 4.1Å; F154-L204 HydrophobicContact CE1-CD1 4.34Å; F154-L204 HydrophobicContact CE1-CD2 3.65Å; Q157-L204 HydrophobicContact CB-CB 4.21Å; Q157-L204 HydrophobicContact CB-CD1 3.9Å; Q157-L204 HydrophobicContact CG-CB 3.85Å; Q157-L204 HydrophobicContact CG-CD1 4.37Å; E200-L204 PolarHBondContact O-N 3.2Å; E200-L204 VanDerWaalsContact O-N 3.11Å; A201-L204 PolarHBondContact O-N 3.06Å; A202-L204 PolarHBondContact O-N 2.88Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 3.42Å; L204-T208 PolarHBondContact O-OG1 3.08Å; L204-T263 HydrophobicContact CD1-CG2 3.76Å; L204-T263 HydrophobicContact CD2-CG2 4.24Å; L204-T263 WeakPolarHBondContact CD2-O 3.34Å; L204-T263 HydrophobicContact CG-CG2 3.97Å; L204-V264 HydrophobicContact CB-CG2 4.48Å; L204-V264 HydrophobicContact CG-CG2 4.21Å
205	F	97	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-47.3	176	177.2	-121.2	0	0	0	111.6	T178 F181 I182 A201 A202 Y203 V207 T208 L209 L244 W256 V260 V264	T178-F205 HydrophobicContact CG2-CD1 3.84Å; T178-F205 HydrophobicContact CG2-CE1 4.37Å; F181-F205 HydrophobicContact CD1-CD1 4.14Å; F181-F205 AromaticContact CD1-CE1 3.76Å; F181-F205 HydrophobicContact CD1-CE1 3.76Å; F181-F205 HydrophobicContact CD1-CE2 4.22Å; F181-F205 HydrophobicContact CD1-CG 4.49Å; F181-F205 AromaticContact CD1-CZ 3.79Å; F181-F205 HydrophobicContact CD1-CZ 3.79Å; F181-F205 HydrophobicContact CE1-CD1 4.47Å; F181-F205 HydrophobicContact CE1-CD2 4.09Å; F181-F205 HydrophobicContact CE1-CE1 4.05Å; F181-F205 AromaticContact CE1-CE2 3.65Å; F181-F205 HydrophobicContact CE1-CE2 3.65Å; F181-F205 HydrophobicContact CE1-CG 4.47Å; F181-F205 AromaticContact CE1-CZ 3.6Å; F181-F205 HydrophobicContact CE1-CZ 3.6Å; F181-F205 HydrophobicContact CG-CE1 4.39Å; F181-F205 HydrophobicContact CG-CZ 4.48Å; F181-F205 HydrophobicContact CZ-CE2 4.23Å; F181-F205 HydrophobicContact CZ-CZ 4.13Å; I182-F205 HydrophobicContact CD1-CB 3.97Å; I182-F205 HydrophobicContact CD1-CG 4.3Å; A201-F205 WeakPolarHBondContact O-CB 3.46Å; A201-F205 PolarHBondContact O-N 2.8Å; A202-F205 PolarHBondContact O-N 3.21Å; Y203-F205 VanDerWaalsContact C-N 3.3Å; Y203-F205 PolarHBondContact O-N 3.11Å; F205-V207 VanDerWaalsContact C-N 3.33Å; F205-V207 PolarHBondContact O-N 3.36Å; F205-T208 WeakPolarHBondContact O-CB 3.47Å; F205-T208 PolarHBondContact O-N 3.2Å; F205-T208 VanDerWaalsContact O-N 3.1Å; F205-L209 HydrophobicContact CD1-CD1 4.27Å; F205-L209 HydrophobicContact CD2-CG 4.35Å; F205-L209 HydrophobicContact CE1-CD1 3.76Å; F205-L209 HydrophobicContact CE2-CD1 4.06Å; F205-L209 HydrophobicContact CE2-CD2 4Å; F205-L209 HydrophobicContact CE2-CG 4Å; F205-L209 HydrophobicContact CZ-CD1 3.65Å; F205-L209 HydrophobicContact CZ-CD2 4.22Å; F205-L209 HydrophobicContact CZ-CG 4.12Å; F205-L209 WeakPolarHBondContact O-CG 3.47Å; F205-L209 PolarHBondContact O-N 3.02Å; F205-L244 HydrophobicContact CE1-CD2 3.8Å; F205-W256 HydrophobicContact CE2-CZ3 4.2Å; F205-V260 HydrophobicContact CD2-CG1 4.16Å; F205-V260 HydrophobicContact CD2-CG2 4.07Å; F205-V260 HydrophobicContact CE2-CG1 4.29Å; F205-V260 HydrophobicContact CE2-CG2 3.82Å; F205-V264 HydrophobicContact CB-CG2 3.82Å; F205-V264 HydrophobicContact CD2-CG2 4.25Å
206	M	96.3	Very high	94.9	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-44.4	175.5	-73.2	-53.1	-47.4	0	0	112.7	W169 F171 L173 T178 A202 Y203 T208 L209 N210	W169-M206 HydrophobicContact CH2-CG 3.38Å; W169-M206 HydrophobicContact CH2-SD 4.34Å; W169-M206 HydrophobicContact CZ2-CG 3.43Å; W169-M206 VanDerWaalsContact CZ2-CG 3.43Å; W169-M206 HydrophobicContact CZ2-SD 3.87Å; F171-M206 HydrophobicContact CB-CE 3.75Å; F171-M206 HydrophobicContact CB-CG 4.35Å; F171-M206 HydrophobicContact CB-SD 4.49Å; F171-M206 HydrophobicContact CD1-CB 3.72Å; F171-M206 HydrophobicContact CD1-CE 3.82Å; F171-M206 HydrophobicContact CD1-CG 4.11Å; F171-M206 HydrophobicContact CD2-CB 4.04Å; F171-M206 HydrophobicContact CD2-CG 3.82Å; F171-M206 HydrophobicContact CE1-CB 3.61Å; F171-M206 HydrophobicContact CE1-CG 4.4Å; F171-M206 HydrophobicContact CE2-CB 3.97Å; F171-M206 HydrophobicContact CE2-CG 4.16Å; F171-M206 HydrophobicContact CG-CB 3.92Å; F171-M206 HydrophobicContact CG-CE 3.86Å; F171-M206 HydrophobicContact CG-CG 3.81Å; F171-M206 HydrophobicContact CZ-CB 3.74Å; F171-M206 HydrophobicContact CZ-CG 4.42Å; L173-M206 HydrophobicContact CB-CE 3.84Å; L173-M206 HydrophobicContact CB-SD 3.96Å; L173-M206 HydrophobicContact CD1-CE 3.43Å; L173-M206 VanDerWaalsContact CD1-CE 3.43Å; L173-M206 HydrophobicContact CD1-SD 3.76Å; L173-M206 HydrophobicContact CG-CE 3.7Å; L173-M206 HydrophobicContact CG-SD 4.27Å; T178-M206 HydrophobicContact CG2-CG 4.33Å; T178-M206 HydrophobicContact CG2-SD 4.21Å; A202-M206 WeakPolarHBondContact O-CG 3.06Å; A202-M206 PolarHBondContact O-N 3.49Å; Y203-M206 PolarHBondContact O-N 2.9Å; M206-T208 VanDerWaalsContact C-N 3.32Å; M206-T208 PolarHBondContact O-N 3.18Å; M206-L209 PolarHBondContact O-N 2.73Å; M206-N210 PolarHBondContact O-N 2.71Å; M206-N210 PolarHBondContact O-ND2 2.85Å
207	V	97.3	Very high	95.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.6	169.7	0	0	0	0	110.3	L98 R153 Y156 F160 Y203 F205 L209 N210 R211	L98-V207 HydrophobicContact CD1-CG1 4.39Å; L98-V207 HydrophobicContact CD2-CG2 3.97Å; R153-V207 HydrophobicContact CB-CG1 4.03Å; R153-V207 HydrophobicContact CG-CG1 4.14Å; Y156-V207 HydrophobicContact CG-CG1 4.47Å; F160-V207 HydrophobicContact CD2-CG2 3.82Å; F160-V207 HydrophobicContact CE2-CG2 3.86Å; Y203-V207 WeakPolarHBondContact O-CB 3.36Å; Y203-V207 VanDerWaalsContact O-CG2 3.22Å; Y203-V207 WeakPolarHBondContact O-CG2 3.46Å; Y203-V207 PolarHBondContact O-N 2.94Å; F205-V207 VanDerWaalsContact C-N 3.33Å; F205-V207 PolarHBondContact O-N 3.36Å; V207-L209 VanDerWaalsContact C-N 3.35Å; V207-L209 PolarHBondContact O-N 2.74Å; V207-N210 PolarHBondContact O-N 3.31Å; V207-R211 HydrophobicContact CG1-CG 4.14Å; V207-R211 WeakPolarHBondContact O-CB 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.48Å; V207-R211 PolarHBondContact O-N 2.9Å
208	T	97.2	Very high	95.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.4	-46.7	178.5	-59.8	0	0	0	0	111.6	L204 F205 M206 R211 M212 E259	L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 3.42Å; L204-T208 PolarHBondContact O-OG1 3.08Å; F205-T208 WeakPolarHBondContact O-CB 3.47Å; F205-T208 PolarHBondContact O-N 3.2Å; F205-T208 VanDerWaalsContact O-N 3.1Å; M206-T208 VanDerWaalsContact C-N 3.32Å; M206-T208 PolarHBondContact O-N 3.18Å; T208-R211 PolarHBondContact O-N 3.35Å; T208-M212 HydrophobicContact CG2-SD 3.98Å; T208-M212 WeakPolarHBondContact O-CB 3.22Å; T208-M212 VanDerWaalsContact O-CG 3.3Å; T208-M212 WeakPolarHBondContact O-CG 3.15Å; T208-M212 PolarHBondContact O-N 3.2Å; T208-E259 HydrophobicContact CG2-CB 4.19Å
209	L	95.5	Very high	95.4	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-45.8	177.6	-66.4	178.9	0	0	0	112.3	L173 F205 M206 V207 R211 M212 Q213 L245 F250 L252	L173-L209 HydrophobicContact CD1-CD1 4.15Å; F205-L209 HydrophobicContact CD1-CD1 4.27Å; F205-L209 HydrophobicContact CD2-CG 4.35Å; F205-L209 HydrophobicContact CE1-CD1 3.76Å; F205-L209 HydrophobicContact CE2-CD1 4.06Å; F205-L209 HydrophobicContact CE2-CD2 4Å; F205-L209 HydrophobicContact CE2-CG 4Å; F205-L209 HydrophobicContact CZ-CD1 3.65Å; F205-L209 HydrophobicContact CZ-CD2 4.22Å; F205-L209 HydrophobicContact CZ-CG 4.12Å; F205-L209 WeakPolarHBondContact O-CG 3.47Å; F205-L209 PolarHBondContact O-N 3.02Å; M206-L209 PolarHBondContact O-N 2.73Å; V207-L209 VanDerWaalsContact C-N 3.35Å; V207-L209 PolarHBondContact O-N 2.74Å; L209-R211 PolarHBondContact O-N 3.07Å; L209-M212 HydrophobicContact CD2-CE 3.93Å; L209-M212 PolarHBondContact O-N 3.47Å; L209-Q213 WeakPolarHBondContact O-CB 3.24Å; L209-Q213 PolarHBondContact O-N 3.39Å; L209-L245 HydrophobicContact CD1-CD2 4.36Å; L209-L245 HydrophobicContact CD2-CD1 4.49Å; L209-F250 HydrophobicContact CD2-CE1 4.45Å; L209-L252 HydrophobicContact CD2-CD2 3.97Å
210	N	95	Very high	95.3	Very high	18 Å²	18	29.3 Å²	29.3	10%	0.096	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-43.5	178	-81	-85.1	0	0	0	111.5	L98 Y99 M206 V207 M212 Q213 Q214	L98-N210 HydrophobicContact CD1-CB 3.99Å; L98-N210 HydrophobicContact CD2-CB 4.45Å; L98-N210 HydrophobicContact CG-CB 4.03Å; Y99-N210 WeakPolarHBondContact CD1-OD1 3.42Å; Y99-N210 WeakPolarHBondContact CE1-OD1 3.46Å; M206-N210 PolarHBondContact O-N 2.71Å; M206-N210 PolarHBondContact O-ND2 2.85Å; V207-N210 PolarHBondContact O-N 3.31Å; N210-M212 PolarHBondContact O-N 2.89Å; N210-Q213 WeakPolarHBondContact O-CB 3.5Å; N210-Q213 PolarHBondContact O-N 3.18Å; N210-Q214 WeakPolarHBondContact O-CG 3.49Å; N210-Q214 PolarHBondContact O-N 3.39Å; N210-Q214 VanDerWaalsContact O-N 3.07Å
211	R	96.7	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-40	178.3	-66.2	-61.1	-64.8	175	-11.3	112.3	L98 I144 E149 R153 V207 T208 L209 Q214 G215 F216	L98-R211 HydrophobicContact CD1-CG 3.87Å; I144-R211 PolarHBondContact O-NH2 3.38Å; E149-R211 VanDerWaalsContact OE1-CB 3.24Å; E149-R211 WeakPolarHBondContact OE1-CB 3.46Å; E149-R211 VanDerWaalsContact OE1-CG 3.25Å; E149-R211 WeakPolarHBondContact OE1-CG 3.46Å; E149-R211 IonicContact OE1-CZ 3.73Å; E149-R211 IonicContact OE1-NE 2.5Å; E149-R211 PolarHBondContact OE1-NE 2.92Å; E149-R211 IonicContact OE1-NH2 2.64Å; E149-R211 IonicContact OE2-CZ 2.83Å; E149-R211 IonicContact OE2-NE 3.58Å; E149-R211 IonicContact OE2-NH2 3.56Å; E149-R211 PolarHBondContact OE2-NH2 3.03Å; R153-R211 HydrophobicContact CG-CG 4.24Å; V207-R211 HydrophobicContact CG1-CG 4.14Å; V207-R211 WeakPolarHBondContact O-CB 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.48Å; V207-R211 PolarHBondContact O-N 2.9Å; T208-R211 PolarHBondContact O-N 3.35Å; L209-R211 PolarHBondContact O-N 3.07Å; R211-Q214 PolarHBondContact O-N 2.95Å; R211-G215 PolarHBondContact O-N 2.9Å; R211-F216 CarbonylContact C-O 3.48Å; R211-F216 HydrophobicContact CB-CB 4.37Å; R211-F216 VanDerWaalsContact NH2-CG 3.34Å; R211-F216 WeakPolarHBondContact O-CB 3.5Å; R211-F216 PolarHBondContact O-N 3.12Å
212	M	95.4	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-41.4	172.1	-75.2	170.7	17	0	0	112.5	T208 L209 N210 Q214 G215 Y217 F250 L252 P253 W256 E259	T208-M212 HydrophobicContact CG2-SD 3.98Å; T208-M212 WeakPolarHBondContact O-CB 3.22Å; T208-M212 VanDerWaalsContact O-CG 3.3Å; T208-M212 WeakPolarHBondContact O-CG 3.15Å; T208-M212 PolarHBondContact O-N 3.2Å; L209-M212 HydrophobicContact CD2-CE 3.93Å; L209-M212 PolarHBondContact O-N 3.47Å; N210-M212 PolarHBondContact O-N 2.89Å; M212-Q214 PolarHBondContact O-N 3.46Å; M212-G215 PolarHBondContact O-N 3.14Å; M212-Y217 HydrophobicContact CB-CE1 4.08Å; M212-Y217 HydrophobicContact CG-CD1 4.23Å; M212-Y217 HydrophobicContact CG-CE1 4.14Å; M212-Y217 PolarHBondContact O-OH 2.93Å; M212-Y217 VanDerWaalsContact O-OH 3.14Å; M212-F250 HydrophobicContact CB-CZ 3.88Å; M212-F250 HydrophobicContact CE-CE1 3.96Å; M212-F250 HydrophobicContact CE-CZ 3.66Å; M212-L252 HydrophobicContact CE-CD2 3.84Å; M212-P253 HydrophobicContact CE-CG 4.24Å; M212-W256 HydrophobicContact CE-CB 4.08Å; M212-E259 HydrophobicContact CG-CB 4.25Å; M212-E259 HydrophobicContact CG-CG 4.04Å; M212-E259 HydrophobicContact SD-CB 3.4Å; M212-E259 WeakPolarHBondContact SD-CB 3.43Å; M212-E259 HydrophobicContact SD-CG 3.64Å
213	Q	92.9	Very high	95.1	Very high	94 Å²	94	34 Å²	34	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-61.4	-33.8	176.7	-175.1	-178.8	16.2	0	0	111.7	L209 N210 G215 D249 F250	L209-Q213 WeakPolarHBondContact O-CB 3.24Å; L209-Q213 PolarHBondContact O-N 3.39Å; N210-Q213 WeakPolarHBondContact O-CB 3.5Å; N210-Q213 PolarHBondContact O-N 3.18Å; Q213-G215 PolarHBondContact O-N 2.86Å; Q213-D249 PolarHBondContact NE2-O 2.6Å; Q213-F250 VanDerWaalsContact CA-CE2 3.49Å; Q213-F250 HydrophobicContact CB-CD1 4.31Å; Q213-F250 HydrophobicContact CB-CD2 3.69Å; Q213-F250 HydrophobicContact CB-CE1 4.47Å; Q213-F250 HydrophobicContact CB-CE2 3.9Å; Q213-F250 HydrophobicContact CB-CG 3.93Å; Q213-F250 HydrophobicContact CB-CZ 4.29Å; Q213-F250 HydrophobicContact CG-CB 4.01Å; Q213-F250 HydrophobicContact CG-CD2 3.69Å; Q213-F250 HydrophobicContact CG-CE2 4.36Å; Q213-F250 HydrophobicContact CG-CG 3.87Å
214	Q	93.2	Very high	95	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.159	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.6	174.8	-67.3	-179.6	-23.7	0	0	114.2	L98 Y99 S101 N210 R211 M212 F216	L98-Q214 VanDerWaalsContact C-NE2 3.28Å; L98-Q214 VanDerWaalsContact O-CD 3.23Å; L98-Q214 PolarHBondContact O-NE2 3.39Å; Y99-Q214 PolarHBondContact O-NE2 2.85Å; S101-Q214 VanDerWaalsContact CB-NE2 3.31Å; S101-Q214 WeakPolarHBondContact OG-CG 3.45Å; S101-Q214 PolarHBondContact OG-NE2 2.77Å; S101-Q214 PolarHBondContact OG-OE1 2.9Å; N210-Q214 WeakPolarHBondContact O-CG 3.49Å; N210-Q214 PolarHBondContact O-N 3.39Å; N210-Q214 VanDerWaalsContact O-N 3.07Å; R211-Q214 PolarHBondContact O-N 2.95Å; M212-Q214 PolarHBondContact O-N 3.46Å; Q214-F216 HydrophobicContact CB-CD2 3.61Å; Q214-F216 HydrophobicContact CB-CE2 3.79Å
215	G	93.9	Very high	94.8	Very high	40 Å²	40	41.8 Å²	41.8	41%	0.412	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	13.8	-178	0	0	0	0	0	114.9	R211 M212 Q213 Y217	R211-G215 PolarHBondContact O-N 2.9Å; M212-G215 PolarHBondContact O-N 3.14Å; Q213-G215 PolarHBondContact O-N 2.86Å; G215-Y217 VanDerWaalsContact O-CD2 3.29Å; G215-Y217 WeakPolarHBondContact O-CD2 3.33Å
216	F	95.6	Very high	94.7	Very high	34 Å²	34	50.4 Å²	50.4	15%	0.149	26%	0.264	C	S	.	.			trans	-91.4	105	174.1	-62.8	-73.1	0	0	0	110.8	V145 E149 R153 R211 Q214	V145-F216 HydrophobicContact CG1-CE1 4.21Å; E149-F216 HydrophobicContact CG-CB 4.17Å; R153-F216 PolarHBondContact NH2-O 3.46Å; R211-F216 CarbonylContact C-O 3.48Å; R211-F216 HydrophobicContact CB-CB 4.37Å; R211-F216 VanDerWaalsContact NH2-CG 3.34Å; R211-F216 WeakPolarHBondContact O-CB 3.5Å; R211-F216 PolarHBondContact O-N 3.12Å; Q214-F216 HydrophobicContact CB-CD2 3.61Å; Q214-F216 HydrophobicContact CB-CE2 3.79Å
217	Y	96.5	Very high	94.6	Very high	98 Å²	98	52.8 Å²	52.8	38%	0.384	28%	0.277	S	S	.	.			trans	-111.2	161.9	-177.3	-59.4	-70.7	0	0	0	112	M212 G215 Y223 P253	M212-Y217 HydrophobicContact CB-CE1 4.08Å; M212-Y217 HydrophobicContact CG-CD1 4.23Å; M212-Y217 HydrophobicContact CG-CE1 4.14Å; M212-Y217 PolarHBondContact O-OH 2.93Å; M212-Y217 VanDerWaalsContact O-OH 3.14Å; G215-Y217 VanDerWaalsContact O-CD2 3.29Å; G215-Y217 WeakPolarHBondContact O-CD2 3.33Å; Y217-Y223 WeakPolarHBondContact CD1-OH 3.19Å; Y217-P253 HydrophobicContact CE1-CG 4.16Å
218	L	95.6	Very high	94.3	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	29%	0.291	C	S	.	.			trans	-64.8	162.7	168	-64.5	176.8	0	0	0	111.1	R150 V222 Y223 E259 R262	R150-L218 HydrophobicContact CG-CD2 3.55Å; L218-V222 HydrophobicContact CB-CB 4.37Å; L218-V222 HydrophobicContact CB-CG2 4.32Å; L218-V222 HydrophobicContact CD1-CG1 4.11Å; L218-Y223 HydrophobicContact CB-CE2 4.4Å; L218-Y223 WeakPolarHBondContact O-CE2 3.33Å; L218-E259 VanDerWaalsContact CB-OE1 3.25Å; L218-E259 WeakPolarHBondContact CB-OE1 3.48Å; L218-E259 WeakPolarHBondContact CG-OE1 3.45Å; L218-E259 WeakPolarHBondContact CG-OE2 3.43Å; L218-E259 PolarHBondContact N-OE1 3.42Å; L218-E259 PolarHBondContact N-OE2 3.26Å; L218-R262 HydrophobicContact CD1-CB 3.59Å; L218-R262 HydrophobicContact CD1-CG 4.48Å
219	P	93	Very high	94	Very high	54 Å²	54	60.4 Å²	60.4	35%	0.351	32%	0.322	S	S	.	.			trans	-65.6	152.7	-179.6	-15.6	29.4	0	0	0	112.5	N221 V222	P219-N221 WeakPolarHBondContact CB-OD1 3.45Å; P219-N221 PolarHBondContact O-N 3.26Å; P219-N221 VanDerWaalsContact O-N 3.11Å; P219-N221 PolarHBondContact O-OD1 3.07Å; P219-V222 WeakPolarHBondContact O-CB 3.41Å; P219-V222 PolarHBondContact O-N 3.32Å
220	E	92.9	Very high	93.7	Very high	170 Å²	170	61 Å²	61	79%	0.794	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-25.4	-170.9	-166.7	168.8	-165.6	0	0	114.1	V222 Y223 A224	E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 3.39Å; E220-Y223 WeakPolarHBondContact O-CB 3.42Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.13Å; E220-A224 PolarHBondContact O-N 3.23Å; E220-A224 VanDerWaalsContact O-N 3.09Å
221	N	93	Very high	93.7	Very high	103 Å²	103	60.2 Å²	60.2	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-61.4	-35.8	174.7	66.3	-30.1	0	0	0	112.5	P219 Y223 A224 E225	P219-N221 WeakPolarHBondContact CB-OD1 3.45Å; P219-N221 PolarHBondContact O-N 3.26Å; P219-N221 VanDerWaalsContact O-N 3.11Å; P219-N221 PolarHBondContact O-OD1 3.07Å; N221-Y223 VanDerWaalsContact C-N 3.27Å; N221-Y223 PolarHBondContact O-N 3.32Å; N221-A224 WeakPolarHBondContact O-CB 3.31Å; N221-A224 PolarHBondContact O-N 3.44Å; N221-A224 VanDerWaalsContact O-N 3.14Å; N221-E225 PolarHBondContact O-N 3.09Å
222	V	93.2	Very high	93.5	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-40.7	175.4	176.8	0	0	0	0	110.3	L218 P219 E220 A224 E225 K258 R262	L218-V222 HydrophobicContact CB-CB 4.37Å; L218-V222 HydrophobicContact CB-CG2 4.32Å; L218-V222 HydrophobicContact CD1-CG1 4.11Å; P219-V222 WeakPolarHBondContact O-CB 3.41Å; P219-V222 PolarHBondContact O-N 3.32Å; E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 3.39Å; V222-A224 VanDerWaalsContact C-N 3.28Å; V222-A224 PolarHBondContact O-N 2.74Å; V222-E225 WeakPolarHBondContact O-CB 3.13Å; V222-E225 PolarHBondContact O-N 2.93Å; V222-K258 HydrophobicContact CG1-CB 4.37Å; V222-K258 WeakPolarHBondContact O-CD 3.22Å; V222-K258 WeakPolarHBondContact O-CE 3.34Å; V222-K258 PolarHBondContact O-NZ 3.25Å; V222-K258 VanDerWaalsContact O-NZ 3.15Å; V222-R262 HydrophobicContact CG1-CB 4.43Å; V222-R262 HydrophobicContact CG1-CG 3.8Å
223	Y	93.9	Very high	93.3	Very high	47 Å²	47	68.1 Å²	68.1	18%	0.184	36%	0.358	C	S	.	.	H	α-helix	trans	-68.7	-26.6	177.6	-72.8	-94.4	0	0	0	113.3	Y217 L218 E220 N221 K255 E259	Y217-Y223 WeakPolarHBondContact CD1-OH 3.19Å; L218-Y223 HydrophobicContact CB-CE2 4.4Å; L218-Y223 WeakPolarHBondContact O-CE2 3.33Å; E220-Y223 WeakPolarHBondContact O-CB 3.42Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.13Å; N221-Y223 VanDerWaalsContact C-N 3.27Å; N221-Y223 PolarHBondContact O-N 3.32Å; Y223-K255 HydrophobicContact CD1-CB 3.69Å; Y223-K255 HydrophobicContact CD1-CD 3.87Å; Y223-K255 HydrophobicContact CD1-CG 4.39Å; Y223-K255 HydrophobicContact CE1-CB 3.74Å; Y223-K255 PolarHBondContact O-NZ 2.88Å; Y223-E259 WeakPolarHBondContact CE2-OE1 3.25Å; Y223-E259 VanDerWaalsContact CZ-OE1 3.26Å; Y223-E259 PolarHBondContact OH-OE1 3.33Å
224	A	93.7	Very high	93.3	Very high	83 Å²	83	63.6 Å²	63.6	69%	0.686	34%	0.337	S	S	*	.	H	α-helix	trans	-80.8	-18.9	178.3	0	0	0	0	0	113.7	E220 N221 V222	E220-A224 PolarHBondContact O-N 3.23Å; E220-A224 VanDerWaalsContact O-N 3.09Å; N221-A224 WeakPolarHBondContact O-CB 3.31Å; N221-A224 PolarHBondContact O-N 3.44Å; N221-A224 VanDerWaalsContact O-N 3.14Å; V222-A224 VanDerWaalsContact C-N 3.28Å; V222-A224 PolarHBondContact O-N 2.74Å
225	E	92.8	Very high	93.4	Very high	83 Å²	83	65.2 Å²	65.2	39%	0.388	35%	0.346	S	S	.	.	S	Bend	trans	-60.5	144.8	174.6	-68.5	167	-162	0	0	111.6	N221 V222 K258 R262	N221-E225 PolarHBondContact O-N 3.09Å; V222-E225 WeakPolarHBondContact O-CB 3.13Å; V222-E225 PolarHBondContact O-N 2.93Å; E225-K258 WeakPolarHBondContact O-CE 3.19Å; E225-K258 PolarHBondContact O-NZ 2.98Å; E225-R262 IonicContact OE2-CZ 2.97Å; E225-R262 IonicContact OE2-NE 3.38Å; E225-R262 PolarHBondContact OE2-NE 2.93Å; E225-R262 IonicContact OE2-NH2 2.87Å; E225-R262 PolarHBondContact OE2-NH2 3.48Å
226	E	94.1	Very high	93.3	Very high	181 Å²	181	71.1 Å²	71.1	85%	0.846	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-65.6	147.7	171.5	-66.4	-172.5	172.2	0	0	111.1	D228	E226-D228 PolarHBondContact O-N 3.37Å
227	D	94.4	Very high	93.1	Very high	54 Å²	54	70.2 Å²	70.2	29%	0.289	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-77.6	122.7	-178.3	-66.4	-13.3	0	0	0	111	D231 K232 Y257 K258	D227-D231 HydrophobicContact CB-CB 3.96Å; D227-K232 VanDerWaalsContact O-CE 3.28Å; D227-K232 WeakPolarHBondContact O-CE 3.33Å; D227-K232 PolarHBondContact O-NZ 3.15Å; D227-K232 VanDerWaalsContact O-NZ 3.17Å; D227-Y257 PolarHBondContact OD1-OH 3.1Å; D227-Y257 PolarHBondContact OD2-OH 3.01Å; D227-K258 WeakPolarHBondContact OD1-CE 3.49Å; D227-K258 IonicContact OD1-NZ 2.89Å; D227-K258 PolarHBondContact OD1-NZ 3.32Å
228	D	92.3	Very high	92.9	Very high	55 Å²	55	67.8 Å²	67.8	29%	0.294	35%	0.349	S	S	.	.			trans	-87.7	-167.3	176.4	69	26.6	0	0	0	112.5	E226 I230 D231 K232 Y269	E226-D228 PolarHBondContact O-N 3.37Å; D228-I230 WeakPolarHBondContact OD1-CA 3.23Å; D228-I230 WeakPolarHBondContact OD1-CB 3.22Å; D228-I230 PolarHBondContact OD1-N 3.24Å; D228-D231 PolarHBondContact N-OD2 3.4Å; D228-D231 PolarHBondContact OD1-N 3.49Å; D228-K232 VanDerWaalsContact O-CD 3.31Å; D228-K232 WeakPolarHBondContact O-CD 3.13Å; D228-K232 VanDerWaalsContact O-CG 3.22Å; D228-K232 WeakPolarHBondContact O-CG 3.39Å; D228-K232 PolarHBondContact O-N 2.91Å; D228-Y269 PolarHBondContact OD1-OH 2.96Å; D228-Y269 VanDerWaalsContact OD2-CE1 3.27Å; D228-Y269 WeakPolarHBondContact OD2-CE1 3.13Å; D228-Y269 PolarHBondContact OD2-OH 2.96Å; D228-Y269 VanDerWaalsContact OD2-OH 3.07Å
229	T	89.7	Confident	92.8	Very high	105 Å²	105	71.7 Å²	71.7	64%	0.644	38%	0.375	S	S	*	.	H	α-helix	trans	-67.4	-40.3	179.3	-54.7	0	0	0	0	112.3	K232 V233	T229-K232 PolarHBondContact O-N 2.89Å; T229-V233 WeakPolarHBondContact O-CG2 3.49Å; T229-V233 PolarHBondContact O-N 3.06Å
230	I	90.5	Very high	92.7	Very high	18 Å²	18	71.5 Å²	71.5	9%	0.092	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-178.4	-66.7	168.7	0	0	0	109.4	F189 D228 K232 V233 L234 F265 F268 Y269	F189-I230 HydrophobicContact CD1-CG1 3.91Å; F189-I230 HydrophobicContact CE1-CB 4.06Å; F189-I230 HydrophobicContact CE1-CG1 3.83Å; F189-I230 HydrophobicContact CE1-CG2 4.16Å; F189-I230 HydrophobicContact CE2-CG2 3.93Å; F189-I230 HydrophobicContact CG-CG1 4.37Å; F189-I230 HydrophobicContact CZ-CB 4.09Å; F189-I230 HydrophobicContact CZ-CG1 4.21Å; F189-I230 HydrophobicContact CZ-CG2 3.68Å; D228-I230 WeakPolarHBondContact OD1-CA 3.23Å; D228-I230 WeakPolarHBondContact OD1-CB 3.22Å; D228-I230 PolarHBondContact OD1-N 3.24Å; I230-K232 VanDerWaalsContact C-N 3.33Å; I230-K232 PolarHBondContact O-N 3.16Å; I230-V233 PolarHBondContact O-N 2.9Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 WeakPolarHBondContact O-CB 3.39Å; I230-L234 WeakPolarHBondContact O-CG 3.49Å; I230-L234 PolarHBondContact O-N 3.19Å; I230-F265 HydrophobicContact CG2-CB 4.49Å; I230-F268 HydrophobicContact CD1-CB 3.44Å; I230-F268 VanDerWaalsContact CD1-CB 3.44Å; I230-F268 HydrophobicContact CD1-CD1 3.96Å; I230-F268 HydrophobicContact CD1-CD2 3.53Å; I230-F268 HydrophobicContact CD1-CE2 4.22Å; I230-F268 HydrophobicContact CD1-CG 3.35Å; I230-Y269 VanDerWaalsContact CB-OH 3.31Å; I230-Y269 WeakPolarHBondContact CB-OH 3.28Å; I230-Y269 HydrophobicContact CD1-CE2 4.2Å; I230-Y269 HydrophobicContact CG2-CE2 4.23Å; I230-Y269 WeakPolarHBondContact CG2-OH 3.5Å
231	D	94.4	Very high	92.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.9	-45.5	174.6	-76.8	-29	0	0	0	112.5	D227 D228 L234 D235 Y257 K258 S261 R262	D227-D231 HydrophobicContact CB-CB 3.96Å; D228-D231 PolarHBondContact N-OD2 3.4Å; D228-D231 PolarHBondContact OD1-N 3.49Å; D231-L234 PolarHBondContact O-N 3.43Å; D231-D235 WeakPolarHBondContact O-CB 3.24Å; D231-D235 PolarHBondContact O-N 3.17Å; D231-Y257 HydrophobicContact CB-CD2 3.71Å; D231-Y257 HydrophobicContact CB-CE2 3.83Å; D231-K258 IonicContact OD2-NZ 3.17Å; D231-S261 WeakPolarHBondContact OD1-CB 3.33Å; D231-S261 PolarHBondContact OD1-OG 2.94Å; D231-R262 IonicContact OD1-CZ 3.67Å; D231-R262 IonicContact OD1-NH1 2.74Å; D231-R262 PolarHBondContact OD1-NH1 3.4Å; D231-R262 IonicContact OD2-CZ 3.68Å; D231-R262 IonicContact OD2-NH1 3.38Å; D231-R262 PolarHBondContact OD2-NH1 2.96Å; D231-R262 IonicContact OD2-NH2 3.3Å; D231-R262 PolarHBondContact OD2-NH2 3.18Å
232	K	92.9	Very high	92.6	Very high	128 Å²	128	62.7 Å²	62.7	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-66.3	-40.1	-179.9	-71.9	164.8	-168.4	159	0	112.6	D227 D228 T229 I230 L234 D235 F236	D227-K232 VanDerWaalsContact O-CE 3.28Å; D227-K232 WeakPolarHBondContact O-CE 3.33Å; D227-K232 PolarHBondContact O-NZ 3.15Å; D227-K232 VanDerWaalsContact O-NZ 3.17Å; D228-K232 VanDerWaalsContact O-CD 3.31Å; D228-K232 WeakPolarHBondContact O-CD 3.13Å; D228-K232 VanDerWaalsContact O-CG 3.22Å; D228-K232 WeakPolarHBondContact O-CG 3.39Å; D228-K232 PolarHBondContact O-N 2.91Å; T229-K232 PolarHBondContact O-N 2.89Å; I230-K232 VanDerWaalsContact C-N 3.33Å; I230-K232 PolarHBondContact O-N 3.16Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-D235 PolarHBondContact O-N 3.42Å; K232-F236 WeakPolarHBondContact O-CB 3.33Å; K232-F236 PolarHBondContact O-N 2.93Å
233	V	91.2	Very high	92.6	Very high	38 Å²	38	67.5 Å²	67.5	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-43.7	176.1	169.6	0	0	0	0	110.3	D188 F189 T229 I230 F236 S237	D188-V233 HydrophobicContact CB-CG1 4.04Å; F189-V233 HydrophobicContact CE1-CB 3.67Å; F189-V233 HydrophobicContact CE1-CG1 3.69Å; F189-V233 HydrophobicContact CE1-CG2 3.96Å; F189-V233 HydrophobicContact CZ-CB 3.87Å; F189-V233 HydrophobicContact CZ-CG1 3.69Å; T229-V233 WeakPolarHBondContact O-CG2 3.49Å; T229-V233 PolarHBondContact O-N 3.06Å; I230-V233 PolarHBondContact O-N 2.9Å; V233-F236 PolarHBondContact O-N 2.91Å; V233-S237 PolarHBondContact O-N 2.86Å; V233-S237 VanDerWaalsContact O-N 3.11Å
234	L	93.4	Very high	92.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-40.6	177.2	-74.2	165.6	0	0	0	112.2	F181 T185 F189 I230 D231 K232 F236 S237 R238 W256 V260 F265	F181-L234 HydrophobicContact CE1-CD2 4.48Å; F181-L234 HydrophobicContact CZ-CD2 3.92Å; T185-L234 HydrophobicContact CG2-CD2 3.79Å; F189-L234 HydrophobicContact CZ-CG 4.37Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 WeakPolarHBondContact O-CB 3.39Å; I230-L234 WeakPolarHBondContact O-CG 3.49Å; I230-L234 PolarHBondContact O-N 3.19Å; D231-L234 PolarHBondContact O-N 3.43Å; K232-L234 VanDerWaalsContact C-N 3.35Å; L234-F236 VanDerWaalsContact C-N 3.32Å; L234-F236 PolarHBondContact O-N 3.41Å; L234-S237 WeakPolarHBondContact CA-OG 3.38Å; L234-S237 WeakPolarHBondContact O-CA 3.36Å; L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.02Å; L234-S237 PolarHBondContact O-OG 3.38Å; L234-R238 PolarHBondContact O-N 3.21Å; L234-W256 VanDerWaalsContact O-CZ2 3.29Å; L234-W256 WeakPolarHBondContact O-CZ2 3.49Å; L234-V260 HydrophobicContact CD1-CB 4.47Å; L234-V260 HydrophobicContact CD1-CG1 4.22Å; L234-V260 HydrophobicContact CD2-CG1 3.96Å; L234-F265 HydrophobicContact CD1-CD2 3.95Å; L234-F265 HydrophobicContact CD1-CE2 4.31Å; L234-F265 HydrophobicContact CD2-CD2 4.32Å; L234-F265 HydrophobicContact CD2-CE2 3.84Å
235	D	94.4	Very high	92.3	Very high	67 Å²	67	62.3 Å²	62.3	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-40.3	174.6	-170.1	45.5	0	0	0	111.6	D231 K232 S237 R238 Y257	D231-D235 WeakPolarHBondContact O-CB 3.24Å; D231-D235 PolarHBondContact O-N 3.17Å; K232-D235 PolarHBondContact O-N 3.42Å; D235-S237 PolarHBondContact O-N 3.43Å; D235-R238 WeakPolarHBondContact O-CB 3.37Å; D235-R238 PolarHBondContact O-N 3.41Å; D235-R238 IonicContact OD1-NE 3.89Å; D235-Y257 HydrophobicContact CB-CD1 3.67Å; D235-Y257 HydrophobicContact CB-CE1 4.04Å; D235-Y257 HydrophobicContact CB-CG 4Å; D235-Y257 WeakPolarHBondContact OD1-CD1 3.35Å
236	F	92	Very high	92.1	Very high	164 Å²	164	61.8 Å²	61.8	72%	0.719	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-26.5	173	-170.9	-98.8	0	0	0	113	K232 V233 L234 R238 P239	K232-F236 WeakPolarHBondContact O-CB 3.33Å; K232-F236 PolarHBondContact O-N 2.93Å; V233-F236 PolarHBondContact O-N 2.91Å; L234-F236 VanDerWaalsContact C-N 3.32Å; L234-F236 PolarHBondContact O-N 3.41Å; F236-R238 VanDerWaalsContact C-N 3.3Å; F236-R238 PolarHBondContact O-N 3.19Å; F236-P239 WeakPolarHBondContact O-CD 3.32Å
237	S	91.3	Very high	91.7	Very high	16 Å²	16	60.6 Å²	60.6	11%	0.112	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1	176	79	0	0	0	0	114.4	F181 V233 L234 D235 P239 F240 A241	F181-S237 VanDerWaalsContact CE2-OG 3.29Å; F181-S237 WeakPolarHBondContact CE2-OG 3.49Å; V233-S237 PolarHBondContact O-N 2.86Å; V233-S237 VanDerWaalsContact O-N 3.11Å; L234-S237 WeakPolarHBondContact CA-OG 3.38Å; L234-S237 WeakPolarHBondContact O-CA 3.36Å; L234-S237 WeakPolarHBondContact O-CB 3.4Å; L234-S237 PolarHBondContact O-N 3.02Å; L234-S237 PolarHBondContact O-OG 3.38Å; D235-S237 PolarHBondContact O-N 3.43Å; S237-P239 VanDerWaalsContact C-CD 3.45Å; S237-F240 WeakPolarHBondContact O-CA 3.5Å; S237-F240 VanDerWaalsContact O-CB 3.28Å; S237-F240 WeakPolarHBondContact O-CB 3.5Å; S237-F240 PolarHBondContact O-N 3.12Å; S237-A241 PolarHBondContact O-N 3.05Å
238	R	93	Very high	91.2	Very high	46 Å²	46	61.5 Å²	61.5	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-47.2	-46.7	179.1	170.4	-178.6	-75.4	-84	5.5	114.1	L234 D235 F236 F240 A241 E242 L252 P253 Q254 W256	L234-R238 PolarHBondContact O-N 3.21Å; D235-R238 WeakPolarHBondContact O-CB 3.37Å; D235-R238 PolarHBondContact O-N 3.41Å; D235-R238 IonicContact OD1-NE 3.89Å; F236-R238 VanDerWaalsContact C-N 3.3Å; F236-R238 PolarHBondContact O-N 3.19Å; R238-F240 PolarHBondContact O-N 2.96Å; R238-F240 VanDerWaalsContact O-N 3.16Å; R238-A241 PolarHBondContact O-N 3.35Å; R238-E242 VanDerWaalsContact CD-OE1 3.29Å; R238-E242 WeakPolarHBondContact CD-OE1 3.48Å; R238-E242 VanDerWaalsContact CG-CD 3.47Å; R238-E242 HydrophobicContact CG-CG 3.99Å; R238-E242 VanDerWaalsContact CG-OE1 3.22Å; R238-E242 WeakPolarHBondContact CG-OE1 3.45Å; R238-E242 IonicContact CZ-OE1 3.83Å; R238-E242 IonicContact NH1-OE1 3.68Å; R238-E242 PolarHBondContact NH1-OE1 2.78Å; R238-E242 WeakPolarHBondContact O-CG 3.48Å; R238-E242 PolarHBondContact O-N 2.66Å; R238-L252 PolarHBondContact NH1-O 2.94Å; R238-P253 PolarHBondContact NH2-O 3.3Å; R238-Q254 PolarHBondContact NH2-O 3.35Å; R238-W256 HydrophobicContact CB-CZ2 4.18Å
239	P	93	Very high	90.9	Very high	89 Å²	89	66.5 Å²	66.5	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-58.8	-31.5	179.9	-25.2	35.4	0	0	0	113.3	F236 S237 H243	F236-P239 WeakPolarHBondContact O-CD 3.32Å; S237-P239 VanDerWaalsContact C-CD 3.45Å; P239-H243 WeakPolarHBondContact O-CB 3.35Å; P239-H243 PolarHBondContact O-N 3.4Å
240	F	90.4	Very high	90.8	Very high	51 Å²	51	62.7 Å²	62.7	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-47.2	174.7	-173.2	-77.5	0	0	0	111.2	E177 C180 F181 S237 R238 E242 H243 L244	E177-F240 HydrophobicContact CB-CZ 4.07Å; E177-F240 WeakPolarHBondContact O-CE1 3.23Å; E177-F240 WeakPolarHBondContact O-CZ 3.25Å; C180-F240 HydrophobicContact CB-CZ 4.43Å; F181-F240 HydrophobicContact CB-CD1 3.87Å; F181-F240 HydrophobicContact CB-CE1 3.47Å; F181-F240 VanDerWaalsContact CB-CE1 3.47Å; F181-F240 HydrophobicContact CB-CZ 4.21Å; F181-F240 AromaticContact CD2-CD1 3.43Å; F181-F240 HydrophobicContact CD2-CD1 3.43Å; F181-F240 VanDerWaalsContact CD2-CD1 3.43Å; F181-F240 AromaticContact CD2-CE1 3.99Å; F181-F240 HydrophobicContact CD2-CE1 3.99Å; F181-F240 HydrophobicContact CD2-CG 4.19Å; F181-F240 HydrophobicContact CE2-CD1 4.37Å; F181-F240 HydrophobicContact CG-CD1 4.04Å; F181-F240 HydrophobicContact CG-CE1 4.14Å; S237-F240 WeakPolarHBondContact O-CA 3.5Å; S237-F240 VanDerWaalsContact O-CB 3.28Å; S237-F240 WeakPolarHBondContact O-CB 3.5Å; S237-F240 PolarHBondContact O-N 3.12Å; R238-F240 PolarHBondContact O-N 2.96Å; R238-F240 VanDerWaalsContact O-N 3.16Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 3.27Å; F240-H243 WeakPolarHBondContact O-CB 3.34Å; F240-H243 PolarHBondContact O-N 3.45Å; F240-L244 PolarHBondContact O-N 3.05Å
241	A	90.8	Very high	90.9	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-64.4	-35.2	179.1	0	0	0	0	0	112.1	S237 R238 L245 L252 W256	S237-A241 PolarHBondContact O-N 3.05Å; R238-A241 PolarHBondContact O-N 3.35Å; A241-L245 WeakPolarHBondContact O-CG 3.37Å; A241-L245 PolarHBondContact O-N 3.22Å; A241-L252 HydrophobicContact CB-CD1 3.56Å; A241-W256 HydrophobicContact CB-CE3 4.47Å; A241-W256 HydrophobicContact CB-CH2 3.41Å; A241-W256 VanDerWaalsContact CB-CH2 3.41Å; A241-W256 HydrophobicContact CB-CZ2 3.91Å; A241-W256 HydrophobicContact CB-CZ3 3.72Å
242	E	93.3	Very high	90.8	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-69.8	-37.5	173.4	-69.6	176.6	171.6	0	0	112.1	R238 F240 L245 A246 L252	R238-E242 VanDerWaalsContact CD-OE1 3.29Å; R238-E242 WeakPolarHBondContact CD-OE1 3.48Å; R238-E242 VanDerWaalsContact CG-CD 3.47Å; R238-E242 HydrophobicContact CG-CG 3.99Å; R238-E242 VanDerWaalsContact CG-OE1 3.22Å; R238-E242 WeakPolarHBondContact CG-OE1 3.45Å; R238-E242 IonicContact CZ-OE1 3.83Å; R238-E242 IonicContact NH1-OE1 3.68Å; R238-E242 PolarHBondContact NH1-OE1 2.78Å; R238-E242 WeakPolarHBondContact O-CG 3.48Å; R238-E242 PolarHBondContact O-N 2.66Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 3.27Å; E242-L245 CarbonylContact O-C 3.59Å; E242-L245 PolarHBondContact O-N 3.29Å; E242-A246 PolarHBondContact O-N 3.45Å; E242-L252 HydrophobicContact CG-CD1 3.88Å
243	H	92.2	Very high	90.8	Very high	105 Å²	105	63.6 Å²	63.6	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-46.8	172.3	172.6	81.4	0	0	0	111.5	E177 P239 F240 L245 A246	E177-H243 IonicContact OE1-CD2 2.87Å; E177-H243 IonicContact OE1-CE1 3.34Å; E177-H243 IonicContact OE1-NE2 3.85Å; E177-H243 PolarHBondContact OE1-NE2 3.2Å; E177-H243 IonicContact OE2-CD2 3.73Å; E177-H243 PolarHBondContact OE2-CD2 3.44Å; E177-H243 VanDerWaalsContact OE2-CD2 3.3Å; E177-H243 IonicContact OE2-NE2 3.21Å; E177-H243 PolarHBondContact OE2-NE2 3.17Å; P239-H243 WeakPolarHBondContact O-CB 3.35Å; P239-H243 PolarHBondContact O-N 3.4Å; F240-H243 WeakPolarHBondContact O-CB 3.34Å; F240-H243 PolarHBondContact O-N 3.45Å; H243-L245 PolarHBondContact O-N 2.94Å; H243-A246 VanDerWaalsContact O-CB 3.25Å; H243-A246 WeakPolarHBondContact O-CB 3.29Å; H243-A246 PolarHBondContact O-N 2.86Å; H243-A246 VanDerWaalsContact O-N 3.08Å
244	L	90.7	Very high	90.8	Very high	10 Å²	10	69.7 Å²	69.7	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-57.4	-33.9	175.9	-173.6	69.3	0	0	0	111.5	L173 E177 F205 F240	L173-L244 HydrophobicContact CB-CD1 4.26Å; L173-L244 HydrophobicContact CB-CG 4.38Å; L173-L244 HydrophobicContact CD1-CD2 4.09Å; L173-L244 HydrophobicContact CD1-CG 4.01Å; L173-L244 WeakPolarHBondContact CD2-O 3.35Å; E177-L244 HydrophobicContact CB-CD1 3.73Å; F205-L244 HydrophobicContact CE1-CD2 3.8Å; F240-L244 PolarHBondContact O-N 3.05Å
245	L	91.4	Very high	90.9	Very high	12 Å²	12	73 Å²	73	6%	0.063	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4	-178.9	-68.2	170.3	0	0	0	114.5	L173 L209 A241 E242 H243 D247 K248 F250 L252	L173-L245 HydrophobicContact CD1-CD2 3.73Å; L173-L245 HydrophobicContact CD2-CD2 4.43Å; L209-L245 HydrophobicContact CD1-CD2 4.36Å; L209-L245 HydrophobicContact CD2-CD1 4.49Å; A241-L245 WeakPolarHBondContact O-CG 3.37Å; A241-L245 PolarHBondContact O-N 3.22Å; E242-L245 CarbonylContact O-C 3.59Å; E242-L245 PolarHBondContact O-N 3.29Å; H243-L245 PolarHBondContact O-N 2.94Å; L245-D247 PolarHBondContact O-N 2.93Å; L245-D247 VanDerWaalsContact O-N 3.1Å; L245-K248 HydrophobicContact CD2-CB 4.47Å; L245-K248 HydrophobicContact CD2-CG 4.3Å; L245-K248 WeakPolarHBondContact O-CB 3.49Å; L245-K248 PolarHBondContact O-N 3.23Å; L245-F250 HydrophobicContact CD1-CD1 3.75Å; L245-F250 HydrophobicContact CD1-CE1 4.05Å; L245-F250 HydrophobicContact CD2-CD1 4.08Å; L245-L252 HydrophobicContact CD1-CD1 4.08Å; L245-L252 HydrophobicContact CD1-CD2 3.56Å; L245-L252 HydrophobicContact CD1-CG 3.61Å
246	A	88.6	Confident	90.9	Very high	71 Å²	71	69.8 Å²	69.8	59%	0.587	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34	-167.6	0	0	0	0	0	114.4	E242 H243	E242-A246 PolarHBondContact O-N 3.45Å; H243-A246 VanDerWaalsContact O-CB 3.25Å; H243-A246 WeakPolarHBondContact O-CB 3.29Å; H243-A246 PolarHBondContact O-N 2.86Å; H243-A246 VanDerWaalsContact O-N 3.08Å
247	D	85.5	Confident	91.1	Very high	157 Å²	157	62.7 Å²	62.7	84%	0.84	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	12.3	179.2	-65.4	-36.5	0	0	0	113.5	L245	L245-D247 PolarHBondContact O-N 2.93Å; L245-D247 VanDerWaalsContact O-N 3.1Å
248	K	85.2	Confident	91.3	Very high	73 Å²	73	61.9 Å²	61.9	32%	0.317	33%	0.326	S	S	.	.	S	Bend	trans	-111.9	145.2	-179	-55.1	-57.3	174.8	-170.8	0	111.3	T172 L173 L245 F250	T172-K248 VanDerWaalsContact CB-NZ 3.32Å; T172-K248 PolarHBondContact O-NZ 3.11Å; T172-K248 WeakPolarHBondContact OG1-CE 3.31Å; T172-K248 PolarHBondContact OG1-NZ 3.16Å; L173-K248 HydrophobicContact CD2-CD 4.17Å; L173-K248 HydrophobicContact CD2-CG 3.79Å; L245-K248 HydrophobicContact CD2-CB 4.47Å; L245-K248 HydrophobicContact CD2-CG 4.3Å; L245-K248 WeakPolarHBondContact O-CB 3.49Å; L245-K248 PolarHBondContact O-N 3.23Å; K248-F250 PolarHBondContact O-N 3.04Å
249	D	85.1	Confident	91.5	Very high	160 Å²	160	59.7 Å²	59.7	86%	0.856	32%	0.317	S	S	*	.	S	Bend	trans	-78.9	63.5	169.7	-167.1	21.3	0	0	0	110.3	Q213	Q213-D249 PolarHBondContact NE2-O 2.6Å
250	F	88.3	Confident	91.6	Very high	25 Å²	25	55.5 Å²	55.5	11%	0.11	29%	0.29	C	S	.	.			trans	-150.2	119.6	178.2	179.2	-130.3	0	0	0	111.1	L209 M212 Q213 L245 K248 L252	L209-F250 HydrophobicContact CD2-CE1 4.45Å; M212-F250 HydrophobicContact CB-CZ 3.88Å; M212-F250 HydrophobicContact CE-CE1 3.96Å; M212-F250 HydrophobicContact CE-CZ 3.66Å; Q213-F250 VanDerWaalsContact CA-CE2 3.49Å; Q213-F250 HydrophobicContact CB-CD1 4.31Å; Q213-F250 HydrophobicContact CB-CD2 3.69Å; Q213-F250 HydrophobicContact CB-CE1 4.47Å; Q213-F250 HydrophobicContact CB-CE2 3.9Å; Q213-F250 HydrophobicContact CB-CG 3.93Å; Q213-F250 HydrophobicContact CB-CZ 4.29Å; Q213-F250 HydrophobicContact CG-CB 4.01Å; Q213-F250 HydrophobicContact CG-CD2 3.69Å; Q213-F250 HydrophobicContact CG-CE2 4.36Å; Q213-F250 HydrophobicContact CG-CG 3.87Å; L245-F250 HydrophobicContact CD1-CD1 3.75Å; L245-F250 HydrophobicContact CD1-CE1 4.05Å; L245-F250 HydrophobicContact CD2-CD1 4.08Å; K248-F250 PolarHBondContact O-N 3.04Å; F250-L252 HydrophobicContact CE1-CD2 3.86Å; F250-L252 HydrophobicContact CZ-CD2 4.37Å
251	T	90.8	Very high	91.8	Very high	122 Å²	122	53 Å²	53	75%	0.748	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-98.4	127.3	173.5	-54	0	0	0	0	109.6
252	L	93	Very high	91.9	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.4	125.9	176.5	-74	175.6	0	0	0	111.2	L209 M212 R238 A241 E242 L245 F250 W256	L209-L252 HydrophobicContact CD2-CD2 3.97Å; M212-L252 HydrophobicContact CE-CD2 3.84Å; R238-L252 PolarHBondContact NH1-O 2.94Å; A241-L252 HydrophobicContact CB-CD1 3.56Å; E242-L252 HydrophobicContact CG-CD1 3.88Å; L245-L252 HydrophobicContact CD1-CD1 4.08Å; L245-L252 HydrophobicContact CD1-CD2 3.56Å; L245-L252 HydrophobicContact CD1-CG 3.61Å; F250-L252 HydrophobicContact CE1-CD2 3.86Å; F250-L252 HydrophobicContact CZ-CD2 4.37Å; L252-W256 HydrophobicContact CB-CB 4.31Å; L252-W256 HydrophobicContact CB-CG 4.15Å; L252-W256 HydrophobicContact CD1-CD2 3.93Å; L252-W256 HydrophobicContact CD1-CE3 4.21Å; L252-W256 HydrophobicContact CD1-CG 4.25Å; L252-W256 HydrophobicContact CD2-CB 4.13Å; L252-W256 HydrophobicContact CD2-CD2 4.14Å; L252-W256 HydrophobicContact CD2-CE3 4.06Å; L252-W256 HydrophobicContact CD2-CG 4.15Å; L252-W256 HydrophobicContact CG-CD2 4.49Å; L252-W256 HydrophobicContact CG-CG 4.43Å
253	P	93.6	Very high	92	Very high	33 Å²	33	49.3 Å²	49.3	21%	0.214	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-62.3	160.3	176.3	26.2	-33.4	0	0	0	111.3	M212 Y217 R238 K255 W256	M212-P253 HydrophobicContact CE-CG 4.24Å; Y217-P253 HydrophobicContact CE1-CG 4.16Å; R238-P253 PolarHBondContact NH2-O 3.3Å; P253-K255 VanDerWaalsContact C-N 3.31Å; P253-K255 PolarHBondContact O-N 3.37Å; P253-W256 HydrophobicContact CG-CB 3.91Å; P253-W256 WeakPolarHBondContact O-CB 3.36Å; P253-W256 PolarHBondContact O-N 2.91Å; P253-W256 VanDerWaalsContact O-N 3.14Å
254	Q	91	Very high	92.1	Very high	167 Å²	167	44.9 Å²	44.9	78%	0.78	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-45.7	-174.8	-172.9	-178.1	5.9	0	0	112.9	R238	R238-Q254 PolarHBondContact NH2-O 3.35Å
255	K	94.8	Very high	92.1	Very high	69 Å²	69	44.7 Å²	44.7	30%	0.3	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	31.9	-179.6	-70	-174.3	164	-175.6	0	113.6	Y223 P253 Y257 K258	Y223-K255 HydrophobicContact CD1-CB 3.69Å; Y223-K255 HydrophobicContact CD1-CD 3.87Å; Y223-K255 HydrophobicContact CD1-CG 4.39Å; Y223-K255 HydrophobicContact CE1-CB 3.74Å; Y223-K255 PolarHBondContact O-NZ 2.88Å; P253-K255 VanDerWaalsContact C-N 3.31Å; P253-K255 PolarHBondContact O-N 3.37Å; K255-Y257 HydrophobicContact CB-CE1 4.37Å; K255-Y257 HydrophobicContact CG-CE1 4.32Å; K255-Y257 PolarHBondContact O-N 2.98Å; K255-Y257 VanDerWaalsContact O-N 3.17Å; K255-K258 HydrophobicContact CB-CD 4.48Å; K255-K258 HydrophobicContact CD-CD 4.28Å; K255-K258 PolarHBondContact O-N 2.93Å; K255-K258 VanDerWaalsContact O-N 3.09Å
256	W	95.5	Very high	92	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.1	-32.4	178	76.9	-68.8	0	0	0	113.4	F181 F205 M212 L234 R238 A241 L252 P253 K258 E259 V260	F181-W256 HydrophobicContact CE2-CH2 4.16Å; F181-W256 AromaticContact CZ-CH2 3.84Å; F181-W256 HydrophobicContact CZ-CH2 3.84Å; F181-W256 HydrophobicContact CZ-CZ3 4.16Å; F205-W256 HydrophobicContact CE2-CZ3 4.2Å; M212-W256 HydrophobicContact CE-CB 4.08Å; L234-W256 VanDerWaalsContact O-CZ2 3.29Å; L234-W256 WeakPolarHBondContact O-CZ2 3.49Å; R238-W256 HydrophobicContact CB-CZ2 4.18Å; A241-W256 HydrophobicContact CB-CE3 4.47Å; A241-W256 HydrophobicContact CB-CH2 3.41Å; A241-W256 VanDerWaalsContact CB-CH2 3.41Å; A241-W256 HydrophobicContact CB-CZ2 3.91Å; A241-W256 HydrophobicContact CB-CZ3 3.72Å; L252-W256 HydrophobicContact CB-CB 4.31Å; L252-W256 HydrophobicContact CB-CG 4.15Å; L252-W256 HydrophobicContact CD1-CD2 3.93Å; L252-W256 HydrophobicContact CD1-CE3 4.21Å; L252-W256 HydrophobicContact CD1-CG 4.25Å; L252-W256 HydrophobicContact CD2-CB 4.13Å; L252-W256 HydrophobicContact CD2-CD2 4.14Å; L252-W256 HydrophobicContact CD2-CE3 4.06Å; L252-W256 HydrophobicContact CD2-CG 4.15Å; L252-W256 HydrophobicContact CG-CD2 4.49Å; L252-W256 HydrophobicContact CG-CG 4.43Å; P253-W256 HydrophobicContact CG-CB 3.91Å; P253-W256 WeakPolarHBondContact O-CB 3.36Å; P253-W256 PolarHBondContact O-N 2.91Å; P253-W256 VanDerWaalsContact O-N 3.14Å; W256-K258 PolarHBondContact O-N 3.44Å; W256-E259 VanDerWaalsContact O-CB 3.24Å; W256-E259 WeakPolarHBondContact O-CB 3.26Å; W256-E259 PolarHBondContact O-N 2.87Å; W256-V260 HydrophobicContact CE3-CG2 3.62Å; W256-V260 HydrophobicContact CZ3-CB 4.46Å; W256-V260 HydrophobicContact CZ3-CG2 3.66Å; W256-V260 PolarHBondContact O-N 3.03Å
257	Y	95.5	Very high	91.9	Very high	14 Å²	14	43.1 Å²	43.1	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-29	179.8	56.9	-95.1	0	0	0	112.2	D227 D231 D235 K255 V260 S261	D227-Y257 PolarHBondContact OD1-OH 3.1Å; D227-Y257 PolarHBondContact OD2-OH 3.01Å; D231-Y257 HydrophobicContact CB-CD2 3.71Å; D231-Y257 HydrophobicContact CB-CE2 3.83Å; D235-Y257 HydrophobicContact CB-CD1 3.67Å; D235-Y257 HydrophobicContact CB-CE1 4.04Å; D235-Y257 HydrophobicContact CB-CG 4Å; D235-Y257 WeakPolarHBondContact OD1-CD1 3.35Å; K255-Y257 HydrophobicContact CB-CE1 4.37Å; K255-Y257 HydrophobicContact CG-CE1 4.32Å; K255-Y257 PolarHBondContact O-N 2.98Å; K255-Y257 VanDerWaalsContact O-N 3.17Å; Y257-V260 PolarHBondContact O-N 2.7Å; Y257-S261 VanDerWaalsContact O-CB 3.29Å; Y257-S261 WeakPolarHBondContact O-CB 3.38Å; Y257-S261 PolarHBondContact O-N 3.48Å; Y257-S261 PolarHBondContact O-OG 3.23Å; Y257-S261 VanDerWaalsContact O-OG 3.09Å
258	K	96.4	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-35	174.3	-73.3	-173.6	173.1	-80.2	0	112.7	V222 E225 D227 D231 K255 W256 V260 S261 R262	V222-K258 HydrophobicContact CG1-CB 4.37Å; V222-K258 WeakPolarHBondContact O-CD 3.22Å; V222-K258 WeakPolarHBondContact O-CE 3.34Å; V222-K258 PolarHBondContact O-NZ 3.25Å; V222-K258 VanDerWaalsContact O-NZ 3.15Å; E225-K258 WeakPolarHBondContact O-CE 3.19Å; E225-K258 PolarHBondContact O-NZ 2.98Å; D227-K258 WeakPolarHBondContact OD1-CE 3.49Å; D227-K258 IonicContact OD1-NZ 2.89Å; D227-K258 PolarHBondContact OD1-NZ 3.32Å; D231-K258 IonicContact OD2-NZ 3.17Å; K255-K258 HydrophobicContact CB-CD 4.48Å; K255-K258 HydrophobicContact CD-CD 4.28Å; K255-K258 PolarHBondContact O-N 2.93Å; K255-K258 VanDerWaalsContact O-N 3.09Å; W256-K258 PolarHBondContact O-N 3.44Å; K258-V260 VanDerWaalsContact C-N 3.33Å; K258-S261 WeakPolarHBondContact CA-OG 3.38Å; K258-S261 PolarHBondContact O-OG 3.31Å; K258-R262 WeakPolarHBondContact O-CB 3.47Å; K258-R262 PolarHBondContact O-N 2.92Å
259	E	96.4	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-44	175.1	-64.7	-69.2	136.4	0	0	110.6	R153 T208 M212 L218 Y223 W256 T263	R153-E259 IonicContact CZ-OE2 2.58Å; R153-E259 IonicContact NH1-OE2 2.89Å; R153-E259 PolarHBondContact NH1-OE2 3.01Å; R153-E259 IonicContact NH2-OE2 2.65Å; R153-E259 PolarHBondContact NH2-OE2 3.43Å; T208-E259 HydrophobicContact CG2-CB 4.19Å; M212-E259 HydrophobicContact CG-CB 4.25Å; M212-E259 HydrophobicContact CG-CG 4.04Å; M212-E259 HydrophobicContact SD-CB 3.4Å; M212-E259 WeakPolarHBondContact SD-CB 3.43Å; M212-E259 HydrophobicContact SD-CG 3.64Å; L218-E259 VanDerWaalsContact CB-OE1 3.25Å; L218-E259 WeakPolarHBondContact CB-OE1 3.48Å; L218-E259 WeakPolarHBondContact CG-OE1 3.45Å; L218-E259 WeakPolarHBondContact CG-OE2 3.43Å; L218-E259 PolarHBondContact N-OE1 3.42Å; L218-E259 PolarHBondContact N-OE2 3.26Å; Y223-E259 WeakPolarHBondContact CE2-OE1 3.25Å; Y223-E259 VanDerWaalsContact CZ-OE1 3.26Å; Y223-E259 PolarHBondContact OH-OE1 3.33Å; W256-E259 VanDerWaalsContact O-CB 3.24Å; W256-E259 WeakPolarHBondContact O-CB 3.26Å; W256-E259 PolarHBondContact O-N 2.87Å; E259-T263 WeakPolarHBondContact O-CB 3.32Å; E259-T263 PolarHBondContact O-N 3.22Å; E259-T263 PolarHBondContact O-OG1 3.22Å
260	V	95.7	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.5	-45.7	179.5	178.6	0	0	0	0	111.2	F181 F205 L234 W256 Y257 K258 T263 V264 F265	F181-V260 HydrophobicContact CE1-CG1 4.42Å; F205-V260 HydrophobicContact CD2-CG1 4.16Å; F205-V260 HydrophobicContact CD2-CG2 4.07Å; F205-V260 HydrophobicContact CE2-CG1 4.29Å; F205-V260 HydrophobicContact CE2-CG2 3.82Å; L234-V260 HydrophobicContact CD1-CB 4.47Å; L234-V260 HydrophobicContact CD1-CG1 4.22Å; L234-V260 HydrophobicContact CD2-CG1 3.96Å; W256-V260 HydrophobicContact CE3-CG2 3.62Å; W256-V260 HydrophobicContact CZ3-CB 4.46Å; W256-V260 HydrophobicContact CZ3-CG2 3.66Å; W256-V260 PolarHBondContact O-N 3.03Å; Y257-V260 PolarHBondContact O-N 2.7Å; K258-V260 VanDerWaalsContact C-N 3.33Å; V260-T263 PolarHBondContact O-N 3.45Å; V260-V264 HydrophobicContact CG1-CB 4.1Å; V260-V264 HydrophobicContact CG1-CG2 4.17Å; V260-V264 WeakPolarHBondContact O-CA 3.39Å; V260-V264 WeakPolarHBondContact O-CB 3.26Å; V260-V264 PolarHBondContact O-N 3.31Å; V260-F265 HydrophobicContact CG1-CD2 4.15Å; V260-F265 HydrophobicContact CG1-CE2 3.94Å; V260-F265 PolarHBondContact O-N 3.01Å
261	S	94.1	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-47.3	-178.9	65	0	0	0	0	111.8	D231 Y257 K258 T263 F265 H266 Y269	D231-S261 WeakPolarHBondContact OD1-CB 3.33Å; D231-S261 PolarHBondContact OD1-OG 2.94Å; Y257-S261 VanDerWaalsContact O-CB 3.29Å; Y257-S261 WeakPolarHBondContact O-CB 3.38Å; Y257-S261 PolarHBondContact O-N 3.48Å; Y257-S261 PolarHBondContact O-OG 3.23Å; Y257-S261 VanDerWaalsContact O-OG 3.09Å; K258-S261 WeakPolarHBondContact CA-OG 3.38Å; K258-S261 PolarHBondContact O-OG 3.31Å; S261-T263 VanDerWaalsContact C-N 3.3Å; S261-T263 PolarHBondContact O-N 2.95Å; S261-F265 CarbonylContact O-C 3.35Å; S261-F265 WeakPolarHBondContact O-CA 3.41Å; S261-F265 PolarHBondContact O-N 3.46Å; S261-H266 PolarHBondContact O-N 3.08Å; S261-Y269 WeakPolarHBondContact CB-OH 3.24Å; S261-Y269 VanDerWaalsContact O-CD2 3.24Å; S261-Y269 WeakPolarHBondContact O-CD2 3.48Å; S261-Y269 WeakPolarHBondContact O-CE2 3.43Å
262	R	93.4	Very high	91.5	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-77.1	-10.3	-179.6	-84.7	64.9	172.6	179.3	4	114.6	R150 L218 V222 E225 D231 K258 Y269	R150-R262 WeakPolarHBondContact CD-O 3.27Å; L218-R262 HydrophobicContact CD1-CB 3.59Å; L218-R262 HydrophobicContact CD1-CG 4.48Å; V222-R262 HydrophobicContact CG1-CB 4.43Å; V222-R262 HydrophobicContact CG1-CG 3.8Å; E225-R262 IonicContact OE2-CZ 2.97Å; E225-R262 IonicContact OE2-NE 3.38Å; E225-R262 PolarHBondContact OE2-NE 2.93Å; E225-R262 IonicContact OE2-NH2 2.87Å; E225-R262 PolarHBondContact OE2-NH2 3.48Å; D231-R262 IonicContact OD1-CZ 3.67Å; D231-R262 IonicContact OD1-NH1 2.74Å; D231-R262 PolarHBondContact OD1-NH1 3.4Å; D231-R262 IonicContact OD2-CZ 3.68Å; D231-R262 IonicContact OD2-NH1 3.38Å; D231-R262 PolarHBondContact OD2-NH1 2.96Å; D231-R262 IonicContact OD2-NH2 3.3Å; D231-R262 PolarHBondContact OD2-NH2 3.18Å; K258-R262 WeakPolarHBondContact O-CB 3.47Å; K258-R262 PolarHBondContact O-N 2.92Å; R262-Y269 HydrophobicContact CG-CD1 4.29Å; R262-Y269 HydrophobicContact CG-CG 4.19Å
263	T	94.5	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-111	-60.8	179.1	-47.5	0	0	0	0	111.9	R150 R153 L204 E259 V260 S261 H266	R150-T263 HydrophobicContact CG-CG2 4.48Å; R153-T263 HydrophobicContact CB-CG2 3.99Å; R153-T263 HydrophobicContact CG-CG2 4.41Å; R153-T263 PolarHBondContact NH1-OG1 3.14Å; L204-T263 HydrophobicContact CD1-CG2 3.76Å; L204-T263 HydrophobicContact CD2-CG2 4.24Å; L204-T263 WeakPolarHBondContact CD2-O 3.34Å; L204-T263 HydrophobicContact CG-CG2 3.97Å; E259-T263 WeakPolarHBondContact O-CB 3.32Å; E259-T263 PolarHBondContact O-N 3.22Å; E259-T263 PolarHBondContact O-OG1 3.22Å; V260-T263 PolarHBondContact O-N 3.45Å; S261-T263 VanDerWaalsContact C-N 3.3Å; S261-T263 PolarHBondContact O-N 2.95Å; T263-H266 WeakPolarHBondContact O-CB 3.26Å; T263-H266 PolarHBondContact O-ND1 3.13Å
264	V	93.6	Very high	91	Very high	13 Å²	13	38 Å²	38	8%	0.079	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-43.9	-174.8	177.7	0	0	0	0	110.4	I182 A201 L204 F205 V260 H266	I182-V264 HydrophobicContact CD1-CG1 3.87Å; A201-V264 HydrophobicContact CB-CG1 4.39Å; L204-V264 HydrophobicContact CB-CG2 4.48Å; L204-V264 HydrophobicContact CG-CG2 4.21Å; F205-V264 HydrophobicContact CB-CG2 3.82Å; F205-V264 HydrophobicContact CD2-CG2 4.25Å; V260-V264 HydrophobicContact CG1-CB 4.1Å; V260-V264 HydrophobicContact CG1-CG2 4.17Å; V260-V264 WeakPolarHBondContact O-CA 3.39Å; V260-V264 WeakPolarHBondContact O-CB 3.26Å; V260-V264 PolarHBondContact O-N 3.31Å; V264-H266 VanDerWaalsContact C-N 3.3Å; V264-H266 PolarHBondContact O-N 3.1Å
265	F	91.4	Very high	91	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	32.9	177.3	-57.9	-78.2	0	0	0	112	T185 F189 I230 L234 V260 S261 E267 F268 Y269	T185-F265 WeakPolarHBondContact OG1-CZ 3.45Å; F189-F265 AromaticContact CD2-CD1 3.8Å; F189-F265 HydrophobicContact CD2-CD1 3.8Å; F189-F265 HydrophobicContact CD2-CE1 4Å; F189-F265 HydrophobicContact CD2-CG 4.34Å; F189-F265 AromaticContact CE2-CD1 3.92Å; F189-F265 HydrophobicContact CE2-CD1 3.92Å; F189-F265 HydrophobicContact CE2-CD2 4.33Å; F189-F265 HydrophobicContact CE2-CE1 4.02Å; F189-F265 HydrophobicContact CE2-CE2 4.42Å; F189-F265 HydrophobicContact CE2-CG 4.1Å; F189-F265 HydrophobicContact CE2-CZ 4.3Å; I230-F265 HydrophobicContact CG2-CB 4.49Å; L234-F265 HydrophobicContact CD1-CD2 3.95Å; L234-F265 HydrophobicContact CD1-CE2 4.31Å; L234-F265 HydrophobicContact CD2-CD2 4.32Å; L234-F265 HydrophobicContact CD2-CE2 3.84Å; V260-F265 HydrophobicContact CG1-CD2 4.15Å; V260-F265 HydrophobicContact CG1-CE2 3.94Å; V260-F265 PolarHBondContact O-N 3.01Å; S261-F265 CarbonylContact O-C 3.35Å; S261-F265 WeakPolarHBondContact O-CA 3.41Å; S261-F265 PolarHBondContact O-N 3.46Å; F265-E267 PolarHBondContact O-N 3.37Å; F265-F268 HydrophobicContact CB-CD2 4.17Å; F265-F268 WeakPolarHBondContact O-CD2 3.27Å; F265-F268 PolarHBondContact O-N 2.86Å; F265-Y269 VanDerWaalsContact O-CD2 3.32Å; F265-Y269 WeakPolarHBondContact O-CD2 3.29Å
266	H	89	Confident	90.7	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.074	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-58.3	-22.9	-173.6	62.6	-86.4	0	0	0	113.8	F154 S261 T263 V264 F268 Y269 V316 F320	F154-H266 AromaticContact CE1-CE1 3.74Å; F154-H266 AromaticContact CE1-ND1 3.76Å; F154-H266 HydrophobicContact CZ-CB 4.33Å; F154-H266 AromaticContact CZ-CE1 3.97Å; F154-H266 AromaticContact CZ-CG 3.78Å; F154-H266 AromaticContact CZ-ND1 3.74Å; S261-H266 PolarHBondContact O-N 3.08Å; T263-H266 WeakPolarHBondContact O-CB 3.26Å; T263-H266 PolarHBondContact O-ND1 3.13Å; V264-H266 VanDerWaalsContact C-N 3.3Å; V264-H266 PolarHBondContact O-N 3.1Å; H266-F268 PolarHBondContact O-N 2.9Å; H266-F268 VanDerWaalsContact O-N 3.1Å; H266-Y269 CarbonylContact O-C 3.55Å; H266-Y269 PolarHBondContact O-N 2.86Å; H266-V316 WeakPolarHBondContact O-CG1 3.45Å; H266-F320 HydrophobicContact CB-CE2 4.11Å
267	E	87.4	Confident	90.5	Very high	33 Å²	33	36.1 Å²	36.1	15%	0.154	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23.1	179.9	66.2	-177.2	167.2	0	0	114.1	V191 F265 W271	V191-E267 WeakPolarHBondContact CG1-OE1 3.33Å; V191-E267 VanDerWaalsContact CG2-OE1 3.26Å; V191-E267 WeakPolarHBondContact CG2-OE1 3.16Å; F265-E267 PolarHBondContact O-N 3.37Å; E267-W271 PolarHBondContact O-NE1 3.35Å
268	F	88.2	Confident	90.4	Very high	80 Å²	80	40.3 Å²	40.3	35%	0.351	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-87.1	-10.5	175.9	-62.1	-73.4	0	0	0	113.9	F189 V191 I230 F265 H266	F189-F268 HydrophobicContact CB-CE2 4.14Å; F189-F268 HydrophobicContact CB-CZ 3.96Å; V191-F268 HydrophobicContact CG2-CE2 3.64Å; V191-F268 HydrophobicContact CG2-CZ 3.33Å; I230-F268 HydrophobicContact CD1-CB 3.44Å; I230-F268 VanDerWaalsContact CD1-CB 3.44Å; I230-F268 HydrophobicContact CD1-CD1 3.96Å; I230-F268 HydrophobicContact CD1-CD2 3.53Å; I230-F268 HydrophobicContact CD1-CE2 4.22Å; I230-F268 HydrophobicContact CD1-CG 3.35Å; F265-F268 HydrophobicContact CB-CD2 4.17Å; F265-F268 WeakPolarHBondContact O-CD2 3.27Å; F265-F268 PolarHBondContact O-N 2.86Å; H266-F268 PolarHBondContact O-N 2.9Å; H266-F268 VanDerWaalsContact O-N 3.1Å
269	Y	86	Confident	90.2	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	-118.1	169.8	-173.6	-58.8	-80.8	0	0	0	110.3	D228 I230 S261 R262 F265 H266 W271 V316	D228-Y269 PolarHBondContact OD1-OH 2.96Å; D228-Y269 VanDerWaalsContact OD2-CE1 3.27Å; D228-Y269 WeakPolarHBondContact OD2-CE1 3.13Å; D228-Y269 PolarHBondContact OD2-OH 2.96Å; D228-Y269 VanDerWaalsContact OD2-OH 3.07Å; I230-Y269 VanDerWaalsContact CB-OH 3.31Å; I230-Y269 WeakPolarHBondContact CB-OH 3.28Å; I230-Y269 HydrophobicContact CD1-CE2 4.2Å; I230-Y269 HydrophobicContact CG2-CE2 4.23Å; I230-Y269 WeakPolarHBondContact CG2-OH 3.5Å; S261-Y269 WeakPolarHBondContact CB-OH 3.24Å; S261-Y269 VanDerWaalsContact O-CD2 3.24Å; S261-Y269 WeakPolarHBondContact O-CD2 3.48Å; S261-Y269 WeakPolarHBondContact O-CE2 3.43Å; R262-Y269 HydrophobicContact CG-CD1 4.29Å; R262-Y269 HydrophobicContact CG-CG 4.19Å; F265-Y269 VanDerWaalsContact O-CD2 3.32Å; F265-Y269 WeakPolarHBondContact O-CD2 3.29Å; H266-Y269 CarbonylContact O-C 3.55Å; H266-Y269 PolarHBondContact O-N 2.86Å; Y269-W271 VanDerWaalsContact C-N 3.33Å; Y269-W271 PolarHBondContact O-N 3.27Å; Y269-V316 WeakPolarHBondContact O-CG1 2.98Å
270	N	82.6	Confident	90	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.283	23%	0.228	S	C	.	.			trans	65.2	33.1	172.9	-159.2	57.2	0	0	0	116.5	V316 N319 F320	N270-V316 HydrophobicContact CB-CG1 4.09Å; N270-N319 WeakPolarHBondContact ND2-CB 3.35Å; N270-F320 HydrophobicContact CB-CD1 4.37Å; N270-F320 HydrophobicContact CB-CD2 3.81Å; N270-F320 HydrophobicContact CB-CE1 3.69Å; N270-F320 HydrophobicContact CB-CE2 3.1Å; N270-F320 HydrophobicContact CB-CG 4.41Å; N270-F320 HydrophobicContact CB-CZ 3.07Å; N270-F320 VanDerWaalsContact CG-CE2 3.43Å; N270-F320 WeakPolarHBondContact ND2-CD1 3.27Å; N270-F320 VanDerWaalsContact ND2-CD2 3.27Å; N270-F320 WeakPolarHBondContact ND2-CD2 3.29Å; N270-F320 WeakPolarHBondContact ND2-CE1 3.41Å; N270-F320 WeakPolarHBondContact ND2-CE2 3.44Å; N270-F320 WeakPolarHBondContact ND2-CG 3.34Å; N270-F320 PolarHBondContact ND2-N 2.98Å; N270-F320 VanDerWaalsContact OD1-CE1 3.25Å; N270-F320 WeakPolarHBondContact OD1-CE1 3.47Å
271	W	86.7	Confident	89.9	Confident	40 Å²	40	48.5 Å²	48.5	15%	0.152	24%	0.244	C	C	.	.			trans	-84.9	131.4	155.4	-58.5	96.8	0	0	0	108	E267 Y269 N273 Q276 I277 I280 M312 Y315 V316	E267-W271 PolarHBondContact O-NE1 3.35Å; Y269-W271 VanDerWaalsContact C-N 3.33Å; Y269-W271 PolarHBondContact O-N 3.27Å; W271-N273 PolarHBondContact O-N 3.43Å; W271-Q276 HydrophobicContact CE3-CG 4.1Å; W271-I277 HydrophobicContact CB-CD1 4.01Å; W271-I277 HydrophobicContact CB-CG1 3.67Å; W271-I277 HydrophobicContact CD2-CB 4.36Å; W271-I277 HydrophobicContact CD2-CD1 4.23Å; W271-I277 HydrophobicContact CD2-CG1 3.39Å; W271-I277 HydrophobicContact CE3-CB 4.29Å; W271-I277 HydrophobicContact CE3-CG1 3.68Å; W271-I277 HydrophobicContact CG-CD1 3.77Å; W271-I277 HydrophobicContact CG-CG1 3.37Å; W271-I277 HydrophobicContact CZ3-CG1 4.41Å; W271-I280 HydrophobicContact CH2-CB 4.44Å; W271-I280 HydrophobicContact CH2-CG2 4.35Å; W271-I280 HydrophobicContact CZ3-CB 3.99Å; W271-I280 HydrophobicContact CZ3-CG1 3.96Å; W271-I280 HydrophobicContact CZ3-CG2 4.3Å; W271-M312 HydrophobicContact CH2-CB 4.14Å; W271-M312 HydrophobicContact CH2-CE 3.49Å; W271-M312 VanDerWaalsContact CH2-CE 3.49Å; W271-M312 HydrophobicContact CH2-CG 4.36Å; W271-M312 HydrophobicContact CZ2-CB 4.26Å; W271-M312 HydrophobicContact CZ2-CE 3.59Å; W271-M312 HydrophobicContact CZ3-CE 4.45Å; W271-Y315 HydrophobicContact CE3-CD1 4.08Å; W271-Y315 AromaticContact CE3-CE1 3.87Å; W271-Y315 HydrophobicContact CE3-CE1 3.87Å; W271-Y315 AromaticContact CH2-CD1 3.77Å; W271-Y315 HydrophobicContact CH2-CD1 3.77Å; W271-Y315 HydrophobicContact CH2-CE1 4.37Å; W271-Y315 AromaticContact CZ3-CD1 3.36Å; W271-Y315 HydrophobicContact CZ3-CD1 3.36Å; W271-Y315 AromaticContact CZ3-CE1 3.5Å; W271-Y315 HydrophobicContact CZ3-CE1 3.5Å; W271-V316 HydrophobicContact CD2-CG2 3.9Å; W271-V316 HydrophobicContact CE3-CG2 4.36Å; W271-V316 HydrophobicContact CH2-CG2 3.76Å; W271-V316 HydrophobicContact CZ2-CG2 3.21Å; W271-V316 HydrophobicContact CZ3-CG2 4.3Å
272	D	83.6	Confident	89.9	Confident	120 Å²	120	51.6 Å²	51.6	64%	0.642	27%	0.266	S	S	*	.	S	Bend	trans	-57.1	-33.9	177.2	-71.8	-26.6	0	0	0	111.3	Q276	D272-Q276 VanDerWaalsContact CG-NE2 3.32Å; D272-Q276 PolarHBondContact OD2-NE2 2.85Å
273	N	86.8	Confident	89.9	Confident	68 Å²	68	52.7 Å²	52.7	36%	0.364	27%	0.271	S	S	.	.	S	Bend	trans	-170.1	165.3	177.3	49.3	62.7	0	0	0	110.7	W271 E275 Q276	W271-N273 PolarHBondContact O-N 3.43Å; N273-E275 VanDerWaalsContact CB-OE2 3.29Å; N273-E275 WeakPolarHBondContact CB-OE2 3.46Å; N273-E275 PolarHBondContact O-N 3.22Å; N273-E275 WeakPolarHBondContact OD1-CB 3.35Å; N273-E275 PolarHBondContact OD1-N 3.43Å; N273-E275 PolarHBondContact OD1-OE2 3.3Å; N273-Q276 WeakPolarHBondContact O-CB 3.34Å; N273-Q276 PolarHBondContact O-N 2.91Å; N273-Q276 VanDerWaalsContact O-N 3.08Å; N273-Q276 PolarHBondContact OD1-N 3.49Å
274	P	88.6	Confident	90	Very high	90 Å²	90	52.7 Å²	52.7	58%	0.584	27%	0.271	S	S	*	.	H	α-helix	trans	-56.8	-30.5	175.8	-26.6	36.4	0	0	0	114.1	Q276 I277 V278	P274-Q276 VanDerWaalsContact C-N 3.3Å; P274-Q276 PolarHBondContact O-N 3.36Å; P274-I277 WeakPolarHBondContact O-CB 3.34Å; P274-I277 PolarHBondContact O-N 3.09Å; P274-V278 PolarHBondContact O-N 2.82Å
275	E	90.5	Very high	90.1	Very high	129 Å²	129	54.4 Å²	54.4	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-66	-33.2	177.6	-62.2	76.7	-171	0	0	112.1	N273 V278 R279	N273-E275 VanDerWaalsContact CB-OE2 3.29Å; N273-E275 WeakPolarHBondContact CB-OE2 3.46Å; N273-E275 PolarHBondContact O-N 3.22Å; N273-E275 WeakPolarHBondContact OD1-CB 3.35Å; N273-E275 PolarHBondContact OD1-N 3.43Å; N273-E275 PolarHBondContact OD1-OE2 3.3Å; E275-V278 PolarHBondContact O-N 3.27Å; E275-R279 VanDerWaalsContact O-CB 3.27Å; E275-R279 WeakPolarHBondContact O-CB 3.3Å; E275-R279 PolarHBondContact O-N 3.3Å
276	Q	89.8	Confident	90.3	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.028	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-44	173.2	-174.9	-179	68.2	0	0	110.9	W271 D272 N273 P274 V278 R279 I280 Y315	W271-Q276 HydrophobicContact CE3-CG 4.1Å; D272-Q276 VanDerWaalsContact CG-NE2 3.32Å; D272-Q276 PolarHBondContact OD2-NE2 2.85Å; N273-Q276 WeakPolarHBondContact O-CB 3.34Å; N273-Q276 PolarHBondContact O-N 2.91Å; N273-Q276 VanDerWaalsContact O-N 3.08Å; N273-Q276 PolarHBondContact OD1-N 3.49Å; P274-Q276 VanDerWaalsContact C-N 3.3Å; P274-Q276 PolarHBondContact O-N 3.36Å; Q276-V278 VanDerWaalsContact C-N 3.32Å; Q276-V278 PolarHBondContact O-N 3.31Å; Q276-R279 PolarHBondContact O-N 2.84Å; Q276-R279 VanDerWaalsContact O-N 3.16Å; Q276-I280 HydrophobicContact CG-CG1 4.11Å; Q276-I280 VanDerWaalsContact O-CG1 3.3Å; Q276-I280 WeakPolarHBondContact O-CG1 3.35Å; Q276-I280 PolarHBondContact O-N 2.83Å; Q276-Y315 HydrophobicContact CG-CE1 4.03Å; Q276-Y315 PolarHBondContact NE2-OH 3.44Å
277	I	91.1	Very high	90.6	Very high	62 Å²	62	56.1 Å²	56.1	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-54.1	-52.8	176.3	-56.5	174.4	0	0	0	109.7	W271 P274 R279 I280 N281 M312	W271-I277 HydrophobicContact CB-CD1 4.01Å; W271-I277 HydrophobicContact CB-CG1 3.67Å; W271-I277 HydrophobicContact CD2-CB 4.36Å; W271-I277 HydrophobicContact CD2-CD1 4.23Å; W271-I277 HydrophobicContact CD2-CG1 3.39Å; W271-I277 HydrophobicContact CE3-CB 4.29Å; W271-I277 HydrophobicContact CE3-CG1 3.68Å; W271-I277 HydrophobicContact CG-CD1 3.77Å; W271-I277 HydrophobicContact CG-CG1 3.37Å; W271-I277 HydrophobicContact CZ3-CG1 4.41Å; P274-I277 WeakPolarHBondContact O-CB 3.34Å; P274-I277 PolarHBondContact O-N 3.09Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 2.93Å; I277-I280 PolarHBondContact O-N 2.97Å; I277-N281 WeakPolarHBondContact O-CB 3.25Å; I277-N281 PolarHBondContact O-N 3.08Å; I277-M312 HydrophobicContact CG2-CE 3.8Å
278	V	92.7	Very high	91.1	Very high	101 Å²	101	54.7 Å²	54.7	61%	0.612	29%	0.285	S	S	*	.	H	α-helix	trans	-61.1	-42.5	-179.9	176.3	0	0	0	0	111.1	P274 E275 Q276 S282	P274-V278 PolarHBondContact O-N 2.82Å; E275-V278 PolarHBondContact O-N 3.27Å; Q276-V278 VanDerWaalsContact C-N 3.32Å; Q276-V278 PolarHBondContact O-N 3.31Å; V278-S282 VanDerWaalsContact O-CB 3.26Å; V278-S282 WeakPolarHBondContact O-CB 3.45Å; V278-S282 PolarHBondContact O-N 2.77Å
279	R	91.5	Very high	91.5	Very high	108 Å²	108	56.3 Å²	56.3	41%	0.408	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-49.5	179.5	-175.8	-179.5	76.9	-167.7	2.9	112.1	E275 Q276 I277 S282 K283 E363	E275-R279 VanDerWaalsContact O-CB 3.27Å; E275-R279 WeakPolarHBondContact O-CB 3.3Å; E275-R279 PolarHBondContact O-N 3.3Å; Q276-R279 PolarHBondContact O-N 2.84Å; Q276-R279 VanDerWaalsContact O-N 3.16Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 2.93Å; R279-S282 PolarHBondContact O-N 3.03Å; R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.12Å; R279-E363 IonicContact CZ-OE1 2.89Å; R279-E363 IonicContact NE-OE1 3.57Å; R279-E363 PolarHBondContact NE-OE1 3.06Å; R279-E363 IonicContact NH2-OE1 3.64Å; R279-E363 PolarHBondContact NH2-OE1 3.04Å
280	I	92.1	Very high	91.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-44.3	-178.7	-62.3	-55.1	0	0	0	110.6	W271 Q276 I277 S282 K283 I284 Y315 E363	W271-I280 HydrophobicContact CH2-CB 4.44Å; W271-I280 HydrophobicContact CH2-CG2 4.35Å; W271-I280 HydrophobicContact CZ3-CB 3.99Å; W271-I280 HydrophobicContact CZ3-CG1 3.96Å; W271-I280 HydrophobicContact CZ3-CG2 4.3Å; Q276-I280 HydrophobicContact CG-CG1 4.11Å; Q276-I280 VanDerWaalsContact O-CG1 3.3Å; Q276-I280 WeakPolarHBondContact O-CG1 3.35Å; Q276-I280 PolarHBondContact O-N 2.83Å; I277-I280 PolarHBondContact O-N 2.97Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 2.64Å; I280-K283 HydrophobicContact CD1-CD 4.44Å; I280-K283 WeakPolarHBondContact O-CB 3.49Å; I280-K283 PolarHBondContact O-N 3.12Å; I280-I284 HydrophobicContact CG2-CD1 3.72Å; I280-I284 HydrophobicContact CG2-CG1 4.38Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.24Å; I280-Y315 HydrophobicContact CD1-CD1 4.47Å; I280-Y315 HydrophobicContact CD1-CD2 4.02Å; I280-Y315 HydrophobicContact CD1-CE1 4.09Å; I280-Y315 HydrophobicContact CD1-CE2 3.62Å; I280-Y315 HydrophobicContact CD1-CG 4.42Å; I280-Y315 HydrophobicContact CG1-CD1 3.9Å; I280-Y315 HydrophobicContact CG1-CD2 4.32Å; I280-Y315 HydrophobicContact CG1-CE1 3.6Å; I280-Y315 HydrophobicContact CG1-CE2 4.07Å; I280-Y315 HydrophobicContact CG1-CG 4.24Å; I280-Y315 HydrophobicContact CG2-CD1 4.13Å; I280-Y315 HydrophobicContact CG2-CD2 4.46Å; I280-Y315 HydrophobicContact CG2-CG 4Å; I280-E363 VanDerWaalsContact CD1-OE1 3.29Å; I280-E363 WeakPolarHBondContact CD1-OE1 3.36Å; I280-E363 WeakPolarHBondContact CD1-OE2 3.44Å
281	N	93.9	Very high	92.5	Very high	63 Å²	63	55.1 Å²	55.1	34%	0.337	29%	0.287	S	S	.	.	H	α-helix	trans	-55.9	-48.6	175.1	-173.8	-74.1	0	0	0	111	I277 K283 I284 D285 M308 M312	I277-N281 WeakPolarHBondContact O-CB 3.25Å; I277-N281 PolarHBondContact O-N 3.08Å; N281-K283 PolarHBondContact O-N 3.43Å; N281-I284 PolarHBondContact O-N 2.95Å; N281-D285 VanDerWaalsContact O-CB 3.3Å; N281-D285 WeakPolarHBondContact O-CB 3.25Å; N281-D285 PolarHBondContact O-N 2.87Å; N281-M308 WeakPolarHBondContact ND2-CE 3.48Å; N281-M308 VanDerWaalsContact OD1-CE 3.32Å; N281-M308 WeakPolarHBondContact OD1-CE 3.36Å; N281-M312 HydrophobicContact CB-CE 4.27Å; N281-M312 HydrophobicContact CB-SD 4.13Å; N281-M312 PolarHBondContact ND2-SD 3.07Å
282	S	94.7	Very high	92.9	Very high	65 Å²	65	54.1 Å²	54.1	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-37.6	177.9	-179.9	0	0	0	0	113.2	V278 R279 I280 T286	V278-S282 VanDerWaalsContact O-CB 3.26Å; V278-S282 WeakPolarHBondContact O-CB 3.45Å; V278-S282 PolarHBondContact O-N 2.77Å; R279-S282 PolarHBondContact O-N 3.03Å; I280-S282 VanDerWaalsContact C-N 3.32Å; I280-S282 PolarHBondContact O-N 2.64Å; S282-T286 WeakPolarHBondContact O-CB 3.32Å; S282-T286 PolarHBondContact O-N 3.45Å; S282-T286 PolarHBondContact O-OG1 2.75Å
283	K	94.1	Very high	93.4	Very high	31 Å²	31	53.7 Å²	53.7	14%	0.135	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-52.2	173.5	-81.5	-177.2	176.6	-171.6	0	111.2	R279 I280 N281 D285 T286 F287 I357 S361 E363	R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.12Å; I280-K283 HydrophobicContact CD1-CD 4.44Å; I280-K283 WeakPolarHBondContact O-CB 3.49Å; I280-K283 PolarHBondContact O-N 3.12Å; N281-K283 PolarHBondContact O-N 3.43Å; K283-D285 VanDerWaalsContact C-N 3.32Å; K283-D285 PolarHBondContact O-N 2.91Å; K283-T286 WeakPolarHBondContact O-CB 3.27Å; K283-T286 PolarHBondContact O-N 2.74Å; K283-F287 PolarHBondContact O-N 2.98Å; K283-I357 HydrophobicContact CB-CB 4.08Å; K283-I357 HydrophobicContact CB-CG2 4.31Å; K283-I357 HydrophobicContact CD-CB 4.4Å; K283-I357 WeakPolarHBondContact CD-O 3.45Å; K283-I357 WeakPolarHBondContact CE-O 3.28Å; K283-I357 HydrophobicContact CG-CB 4.28Å; K283-I357 PolarHBondContact NZ-O 3.15Å; K283-I357 WeakPolarHBondContact O-CG2 2.83Å; K283-S361 PolarHBondContact NZ-O 3.33Å; K283-S361 VanDerWaalsContact NZ-O 3.13Å; K283-E363 VanDerWaalsContact NZ-CD 3.28Å; K283-E363 IonicContact NZ-OE1 2.61Å; K283-E363 PolarHBondContact NZ-OE1 2.9Å; K283-E363 IonicContact NZ-OE2 3.16Å; K283-E363 PolarHBondContact NZ-OE2 3.04Å
284	I	95.5	Very high	93.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-43.5	-179.6	-64.6	165.8	0	0	0	110.1	I280 N281 T286 F287 L288 M308 M311 M312 W365	I280-I284 HydrophobicContact CG2-CD1 3.72Å; I280-I284 HydrophobicContact CG2-CG1 4.38Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.24Å; N281-I284 PolarHBondContact O-N 2.95Å; I284-T286 VanDerWaalsContact C-N 3.34Å; I284-T286 PolarHBondContact O-N 3.09Å; I284-F287 WeakPolarHBondContact O-CB 3.34Å; I284-F287 PolarHBondContact O-N 2.97Å; I284-F287 VanDerWaalsContact O-N 3.17Å; I284-L288 HydrophobicContact CG2-CD1 4.09Å; I284-L288 HydrophobicContact CG2-CG 4.35Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.27Å; I284-M308 HydrophobicContact CG2-CG 4Å; I284-M311 HydrophobicContact CD1-CB 3.76Å; I284-M311 HydrophobicContact CG1-CB 4.34Å; I284-M311 HydrophobicContact CG1-CE 4.37Å; I284-M311 HydrophobicContact CG2-CB 4.17Å; I284-M311 HydrophobicContact CG2-CE 4.16Å; I284-M311 HydrophobicContact CG2-SD 3.86Å; I284-M312 HydrophobicContact CD1-CG 3.65Å; I284-W365 HydrophobicContact CD1-CZ2 4.46Å; I284-W365 HydrophobicContact CG1-CZ2 4.42Å
285	D	96.7	Very high	93.8	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-46.8	175.7	-176.6	55.6	0	0	0	112.1	N281 K283 F287 L288 K289 K304 M308	N281-D285 VanDerWaalsContact O-CB 3.3Å; N281-D285 WeakPolarHBondContact O-CB 3.25Å; N281-D285 PolarHBondContact O-N 2.87Å; K283-D285 VanDerWaalsContact C-N 3.32Å; K283-D285 PolarHBondContact O-N 2.91Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 3.25Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-K289 WeakPolarHBondContact O-CB 3.13Å; D285-K289 PolarHBondContact O-N 3.18Å; D285-K304 WeakPolarHBondContact OD1-CE 3.4Å; D285-K304 IonicContact OD1-NZ 3.01Å; D285-K304 PolarHBondContact OD1-NZ 3.07Å; D285-M308 HydrophobicContact CB-CE 4.08Å
286	T	95	Very high	93.9	Very high	59 Å²	59	46.1 Å²	46.1	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-42.8	176.3	-59.9	0	0	0	0	111.5	S282 K283 I284 N290	S282-T286 WeakPolarHBondContact O-CB 3.32Å; S282-T286 PolarHBondContact O-N 3.45Å; S282-T286 PolarHBondContact O-OG1 2.75Å; K283-T286 WeakPolarHBondContact O-CB 3.27Å; K283-T286 PolarHBondContact O-N 2.74Å; I284-T286 VanDerWaalsContact C-N 3.34Å; I284-T286 PolarHBondContact O-N 3.09Å; T286-N290 WeakPolarHBondContact O-CB 3.45Å; T286-N290 PolarHBondContact O-N 3.32Å; T286-N290 PolarHBondContact O-ND2 2.85Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å
287	F	95.3	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-51.6	175.2	155.4	-105.6	0	0	0	111.6	K283 I284 D285 K289 N290 V291 M311 V350 H353 L354 I357 I373 M377	K283-F287 PolarHBondContact O-N 2.98Å; I284-F287 WeakPolarHBondContact O-CB 3.34Å; I284-F287 PolarHBondContact O-N 2.97Å; I284-F287 VanDerWaalsContact O-N 3.17Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 3.25Å; F287-K289 PolarHBondContact O-N 3.21Å; F287-N290 PolarHBondContact O-N 3.49Å; F287-V291 HydrophobicContact CD2-CG2 3.93Å; F287-V291 HydrophobicContact CE2-CG2 3.51Å; F287-V291 HydrophobicContact CZ-CG2 4.08Å; F287-V291 WeakPolarHBondContact O-CG2 3.38Å; F287-V291 PolarHBondContact O-N 3.05Å; F287-M311 HydrophobicContact CD1-CE 3.8Å; F287-M311 HydrophobicContact CD1-SD 4.27Å; F287-M311 HydrophobicContact CE1-CE 3.74Å; F287-M311 HydrophobicContact CE1-SD 3.98Å; F287-V350 HydrophobicContact CE2-CG1 4.32Å; F287-V350 HydrophobicContact CZ-CG1 4.31Å; F287-H353 HydrophobicContact CD2-CB 3.73Å; F287-H353 HydrophobicContact CE2-CB 4.29Å; F287-L354 HydrophobicContact CD1-CD2 4.25Å; F287-L354 HydrophobicContact CD2-CD2 3.82Å; F287-L354 HydrophobicContact CD2-CG 3.96Å; F287-L354 HydrophobicContact CE1-CD2 4.12Å; F287-L354 HydrophobicContact CE2-CD1 4.47Å; F287-L354 HydrophobicContact CE2-CD2 3.69Å; F287-L354 HydrophobicContact CE2-CG 3.58Å; F287-L354 HydrophobicContact CG-CD2 4.11Å; F287-L354 HydrophobicContact CZ-CD2 3.84Å; F287-L354 HydrophobicContact CZ-CG 4.05Å; F287-I357 HydrophobicContact CB-CD1 4.08Å; F287-I357 HydrophobicContact CB-CG2 4Å; F287-I373 HydrophobicContact CZ-CG2 4.39Å; F287-M377 HydrophobicContact CE1-SD 4.5Å; F287-M377 HydrophobicContact CZ-SD 3.91Å
288	L	97.5	Very high	94.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-43	-178.7	-66.7	176	0	0	0	111.7	I284 D285 V291 S292 L299 K304 I307 M308	I284-L288 HydrophobicContact CG2-CD1 4.09Å; I284-L288 HydrophobicContact CG2-CG 4.35Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.27Å; D285-L288 PolarHBondContact O-N 2.89Å; L288-V291 PolarHBondContact O-N 2.82Å; L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.48Å; L288-S292 PolarHBondContact O-N 3.45Å; L288-L299 HydrophobicContact CB-CD2 4.14Å; L288-L299 HydrophobicContact CD1-CD2 4.05Å; L288-L299 HydrophobicContact CD2-CD2 4.28Å; L288-L299 HydrophobicContact CG-CD2 4.39Å; L288-K304 HydrophobicContact CD1-CG 4.19Å; L288-I307 HydrophobicContact CD1-CG2 4.06Å; L288-I307 HydrophobicContact CD2-CG2 3.73Å; L288-M308 HydrophobicContact CD1-CG 3.61Å; L288-M308 HydrophobicContact CD1-SD 4.47Å
289	K	96	Very high	94.6	Very high	115 Å²	115	46 Å²	46	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-49	175.7	-179.1	178	173.7	179.8	0	111.5	D285 F287 V291 S292 E293	D285-K289 WeakPolarHBondContact O-CB 3.13Å; D285-K289 PolarHBondContact O-N 3.18Å; F287-K289 PolarHBondContact O-N 3.21Å; K289-V291 PolarHBondContact O-N 3.25Å; K289-S292 WeakPolarHBondContact O-CB 3.39Å; K289-S292 PolarHBondContact O-N 3.49Å; K289-E293 WeakPolarHBondContact CE-OE1 3.43Å; K289-E293 HydrophobicContact CG-CG 4.49Å; K289-E293 IonicContact NZ-OE1 2.95Å; K289-E293 WeakPolarHBondContact O-CG 3Å; K289-E293 PolarHBondContact O-N 2.93Å
290	N	94.3	Very high	94.8	Very high	48 Å²	48	44.1 Å²	44.1	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-39.9	-178.4	-69.1	-23.6	0	0	0	112.3	T286 F287 G294 H353	T286-N290 WeakPolarHBondContact O-CB 3.45Å; T286-N290 PolarHBondContact O-N 3.32Å; T286-N290 PolarHBondContact O-ND2 2.85Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å; F287-N290 PolarHBondContact O-N 3.49Å; N290-G294 PolarHBondContact O-N 3.49Å; N290-H353 HydrophobicContact CB-CB 4.41Å
291	V	95.6	Very high	95	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-45.3	174.9	175.4	0	0	0	0	110.4	F287 L288 K289 E293 G294 I295 F346 V350 H353 W381	F287-V291 HydrophobicContact CD2-CG2 3.93Å; F287-V291 HydrophobicContact CE2-CG2 3.51Å; F287-V291 HydrophobicContact CZ-CG2 4.08Å; F287-V291 WeakPolarHBondContact O-CG2 3.38Å; F287-V291 PolarHBondContact O-N 3.05Å; L288-V291 PolarHBondContact O-N 2.82Å; K289-V291 PolarHBondContact O-N 3.25Å; V291-E293 PolarHBondContact O-N 3.26Å; V291-G294 PolarHBondContact O-N 3.24Å; V291-G294 VanDerWaalsContact O-N 3.15Å; V291-I295 WeakPolarHBondContact O-CG1 3.37Å; V291-I295 PolarHBondContact O-N 3.32Å; V291-I295 VanDerWaalsContact O-N 3.1Å; V291-F346 HydrophobicContact CG1-CD2 4.3Å; V291-F346 HydrophobicContact CG1-CE2 3.82Å; V291-V350 HydrophobicContact CG1-CG2 4.23Å; V291-V350 HydrophobicContact CG2-CG2 4.37Å; V291-H353 HydrophobicContact CG2-CB 4.19Å; V291-W381 HydrophobicContact CG1-CH2 4.11Å; V291-W381 HydrophobicContact CG1-CZ3 3.82Å
292	S	96.1	Very high	95	Very high	19 Å²	19	57 Å²	57	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-46	178.3	176.1	0	0	0	0	112.4	L288 K289 D296 F297	L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.48Å; L288-S292 PolarHBondContact O-N 3.45Å; K289-S292 WeakPolarHBondContact O-CB 3.39Å; K289-S292 PolarHBondContact O-N 3.49Å; S292-D296 WeakPolarHBondContact O-CA 3.28Å; S292-D296 PolarHBondContact O-N 3.41Å; S292-F297 WeakPolarHBondContact CB-O 3.45Å; S292-F297 PolarHBondContact O-N 3.5Å; S292-F297 PolarHBondContact OG-O 3.44Å
293	E	93.4	Very high	95	Very high	111 Å²	111	54.5 Å²	54.5	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-39.1	174.3	-70.8	175.1	179	0	0	111.8	K289 V291 I295 D296	K289-E293 WeakPolarHBondContact CE-OE1 3.43Å; K289-E293 HydrophobicContact CG-CG 4.49Å; K289-E293 IonicContact NZ-OE1 2.95Å; K289-E293 WeakPolarHBondContact O-CG 3Å; K289-E293 PolarHBondContact O-N 2.93Å; V291-E293 PolarHBondContact O-N 3.26Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 2.98Å; E293-D296 PolarHBondContact O-N 2.87Å
294	G	91	Very high	95.1	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-28.2	-179.4	0	0	0	0	0	114.5	N290 V291 A505	N290-G294 PolarHBondContact O-N 3.49Å; V291-G294 PolarHBondContact O-N 3.24Å; V291-G294 VanDerWaalsContact O-N 3.15Å; G294-A505 WeakPolarHBondContact O-CA 3.3Å; G294-A505 WeakPolarHBondContact O-CB 3.44Å
295	I	93.1	Very high	95.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.6	174.6	67.5	175.4	0	0	0	113.7	V291 E293 F297 F346 L349 W381 L384 H387 L388 L391 Y509	V291-I295 WeakPolarHBondContact O-CG1 3.37Å; V291-I295 PolarHBondContact O-N 3.32Å; V291-I295 VanDerWaalsContact O-N 3.1Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 2.98Å; I295-F297 VanDerWaalsContact C-N 3.27Å; I295-F297 HydrophobicContact CD1-CB 3.86Å; I295-F297 HydrophobicContact CG1-CB 3.75Å; I295-F297 PolarHBondContact O-N 2.58Å; I295-F346 HydrophobicContact CD1-CD2 4.29Å; I295-F346 HydrophobicContact CD1-CE2 4.36Å; I295-F346 HydrophobicContact CG2-CD2 3.98Å; I295-L349 HydrophobicContact CG2-CD1 3.7Å; I295-W381 HydrophobicContact CD1-CH2 3.95Å; I295-W381 HydrophobicContact CD1-CZ2 4.23Å; I295-W381 HydrophobicContact CD1-CZ3 4.35Å; I295-L384 HydrophobicContact CD1-CD1 3.45Å; I295-L384 VanDerWaalsContact CD1-CD1 3.45Å; I295-H387 PolarHBondContact O-NE2 3.4Å; I295-L388 HydrophobicContact CD1-CD2 4.39Å; I295-L388 HydrophobicContact CG2-CD2 4.47Å; I295-L391 HydrophobicContact CB-CD1 4.25Å; I295-Y509 HydrophobicContact CG2-CE2 4.23Å
296	D	93.4	Very high	95	Very high	119 Å²	119	60.7 Å²	60.7	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	49.8	-175.2	-168	30.8	0	0	0	112.4	S292 E293 A505	S292-D296 WeakPolarHBondContact O-CA 3.28Å; S292-D296 PolarHBondContact O-N 3.41Å; E293-D296 PolarHBondContact O-N 2.87Å; D296-A505 HydrophobicContact CB-CB 3.54Å
297	F	96	Very high	95	Very high	41 Å²	41	57.9 Å²	57.9	18%	0.18	28%	0.283	C	S	.	.			trans	-135.1	113.6	178.2	-165.8	-126.8	0	0	0	109.6	S292 I295 W381 S382 Q383 L384 H387	S292-F297 WeakPolarHBondContact CB-O 3.45Å; S292-F297 PolarHBondContact O-N 3.5Å; S292-F297 PolarHBondContact OG-O 3.44Å; I295-F297 VanDerWaalsContact C-N 3.27Å; I295-F297 HydrophobicContact CD1-CB 3.86Å; I295-F297 HydrophobicContact CG1-CB 3.75Å; I295-F297 PolarHBondContact O-N 2.58Å; F297-W381 AromaticContact CD1-CE2 3.74Å; F297-W381 HydrophobicContact CD1-CZ2 4.12Å; F297-W381 AromaticContact CD1-NE1 3.29Å; F297-W381 VanDerWaalsContact CD1-NE1 3.29Å; F297-W381 AromaticContact CE1-CD1 3.68Å; F297-W381 AromaticContact CE1-NE1 3.38Å; F297-W381 VanDerWaalsContact O-CZ2 3.3Å; F297-W381 WeakPolarHBondContact O-CZ2 3.27Å; F297-S382 WeakPolarHBondContact CE1-O 3.31Å; F297-Q383 HydrophobicContact CZ-CB 4.1Å; F297-L384 HydrophobicContact CD1-CD1 4.15Å; F297-L384 HydrophobicContact CE1-CB 4.4Å; F297-H387 VanDerWaalsContact CB-CD2 3.47Å; F297-H387 WeakPolarHBondContact CB-CD2 3.48Å; F297-H387 HydrophobicContact CD1-CB 4.22Å; F297-H387 HydrophobicContact CD2-CB 3.91Å; F297-H387 AromaticContact CD2-CD2 3.93Å; F297-H387 AromaticContact CD2-CE1 3.93Å; F297-H387 AromaticContact CD2-CG 3.52Å; F297-H387 AromaticContact CD2-ND1 3.58Å; F297-H387 HydrophobicContact CE1-CB 4.32Å; F297-H387 HydrophobicContact CE2-CB 4.02Å; F297-H387 HydrophobicContact CG-CB 4.05Å; F297-H387 AromaticContact CG-CD2 3.65Å; F297-H387 AromaticContact CG-CG 3.66Å; F297-H387 HydrophobicContact CZ-CB 4.24Å
298	P	95.1	Very high	95	Very high	100 Å²	100	58.9 Å²	58.9	65%	0.649	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-62.9	139.2	177.8	-24.2	34.8	0	0	0	112.1	W381	P298-W381 PolarHBondContact O-NE1 3.09Å
299	L	96	Very high	94.8	Very high	27 Å²	27	60.3 Å²	60.3	14%	0.141	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-92.3	118.9	166.8	-176.4	63.8	0	0	0	108.3	L288 D303 K304 I307 W381	L288-L299 HydrophobicContact CB-CD2 4.14Å; L288-L299 HydrophobicContact CD1-CD2 4.05Å; L288-L299 HydrophobicContact CD2-CD2 4.28Å; L288-L299 HydrophobicContact CG-CD2 4.39Å; L299-D303 HydrophobicContact CD1-CB 3.56Å; L299-D303 HydrophobicContact CG-CB 4.43Å; L299-K304 HydrophobicContact CD2-CB 3.71Å; L299-K304 HydrophobicContact CD2-CG 3.92Å; L299-K304 HydrophobicContact CG-CB 3.84Å; L299-I307 HydrophobicContact CD1-CD1 3.98Å; L299-I307 HydrophobicContact CD2-CD1 4.35Å; L299-W381 HydrophobicContact CB-CZ2 3.82Å; L299-W381 HydrophobicContact CD1-CB 4.15Å; L299-W381 HydrophobicContact CD1-CD2 3.62Å; L299-W381 HydrophobicContact CD1-CE3 4.37Å; L299-W381 HydrophobicContact CD1-CG 3.48Å; L299-W381 VanDerWaalsContact CD1-CG 3.48Å; L299-W381 HydrophobicContact CD1-CZ2 4.34Å
300	N	96	Very high	94.7	Very high	68 Å²	68	56 Å²	56	36%	0.364	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-68.2	164.2	179	79.2	49.3	0	0	0	110.6	E302 D303 K304	N300-E302 PolarHBondContact O-N 3.28Å; N300-E302 PolarHBondContact OD1-N 2.99Å; N300-D303 VanDerWaalsContact CG-CG 3.45Å; N300-D303 PolarHBondContact ND2-OD1 3.12Å; N300-D303 PolarHBondContact ND2-OD2 3.17Å; N300-D303 PolarHBondContact OD1-N 3.32Å; N300-D303 PolarHBondContact OD1-OD1 2.92Å; N300-K304 WeakPolarHBondContact O-CB 3.25Å; N300-K304 PolarHBondContact O-N 3.24Å
301	Q	95.2	Very high	94.7	Very high	178 Å²	178	53.7 Å²	53.7	83%	0.832	26%	0.264	S	S	*	.	H	α-helix	trans	-66.5	-35.1	-173.7	-71.8	-172.1	-6.7	0	0	113.9	R305	Q301-R305 WeakPolarHBondContact O-CB 3.48Å; Q301-R305 PolarHBondContact O-N 3.18Å
302	E	93.9	Very high	94.5	Very high	156 Å²	156	55 Å²	55	73%	0.729	27%	0.271	S	S	*	.	H	α-helix	trans	-69.8	-53.9	-178.2	-176	176.7	178.7	0	0	110.8	N300 K304 R305 K306	N300-E302 PolarHBondContact O-N 3.28Å; N300-E302 PolarHBondContact OD1-N 2.99Å; E302-K304 VanDerWaalsContact C-N 3.26Å; E302-K304 PolarHBondContact O-N 2.89Å; E302-R305 WeakPolarHBondContact O-CB 3.2Å; E302-R305 PolarHBondContact O-N 3.25Å; E302-R305 VanDerWaalsContact O-N 3.11Å; E302-K306 PolarHBondContact O-N 3.15Å
303	D	96	Very high	94.3	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-55	-45	174.6	-62.1	5.6	0	0	0	110.6	L299 N300 R305 K306 I307 E380 S382	L299-D303 HydrophobicContact CD1-CB 3.56Å; L299-D303 HydrophobicContact CG-CB 4.43Å; N300-D303 VanDerWaalsContact CG-CG 3.45Å; N300-D303 PolarHBondContact ND2-OD1 3.12Å; N300-D303 PolarHBondContact ND2-OD2 3.17Å; N300-D303 PolarHBondContact OD1-N 3.32Å; N300-D303 PolarHBondContact OD1-OD1 2.92Å; D303-R305 PolarHBondContact O-N 3.2Å; D303-K306 PolarHBondContact O-N 3.31Å; D303-I307 WeakPolarHBondContact O-CB 3.44Å; D303-I307 VanDerWaalsContact O-CG1 3.26Å; D303-I307 WeakPolarHBondContact O-CG1 3.38Å; D303-I307 PolarHBondContact O-N 2.88Å; D303-E380 VanDerWaalsContact CB-O 3.22Å; D303-E380 WeakPolarHBondContact CB-O 3.11Å; D303-S382 PolarHBondContact OD1-OG 3.45Å; D303-S382 WeakPolarHBondContact OD2-CA 3.5Å; D303-S382 WeakPolarHBondContact OD2-CB 3.32Å; D303-S382 PolarHBondContact OD2-N 3.42Å; D303-S382 PolarHBondContact OD2-OG 2.9Å
304	K	96.8	Very high	94.1	Very high	67 Å²	67	50.3 Å²	50.3	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-59.2	-47.9	178.2	-175.6	176.1	178.2	-177.7	0	111.4	D285 L288 L299 N300 E302 K306 I307 M308	D285-K304 WeakPolarHBondContact OD1-CE 3.4Å; D285-K304 IonicContact OD1-NZ 3.01Å; D285-K304 PolarHBondContact OD1-NZ 3.07Å; L288-K304 HydrophobicContact CD1-CG 4.19Å; L299-K304 HydrophobicContact CD2-CB 3.71Å; L299-K304 HydrophobicContact CD2-CG 3.92Å; L299-K304 HydrophobicContact CG-CB 3.84Å; N300-K304 WeakPolarHBondContact O-CB 3.25Å; N300-K304 PolarHBondContact O-N 3.24Å; E302-K304 VanDerWaalsContact C-N 3.26Å; E302-K304 PolarHBondContact O-N 2.89Å; K304-K306 VanDerWaalsContact C-N 3.32Å; K304-K306 PolarHBondContact O-N 3.31Å; K304-I307 PolarHBondContact O-N 3.47Å; K304-M308 HydrophobicContact CD-SD 4.32Å; K304-M308 HydrophobicContact CG-CG 4.2Å; K304-M308 HydrophobicContact CG-SD 3.78Å; K304-M308 VanDerWaalsContact O-CB 3.3Å; K304-M308 WeakPolarHBondContact O-CB 3.41Å; K304-M308 WeakPolarHBondContact O-CG 3.33Å; K304-M308 PolarHBondContact O-N 3.44Å
305	R	94.3	Very high	94.1	Very high	126 Å²	126	50 Å²	50	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-47.1	179.6	179.3	-176	165.6	167	3.4	110.4	D190 Q301 E302 D303 M308 Q309	D190-R305 PolarHBondContact O-NH2 3.12Å; D190-R305 IonicContact OD1-CZ 3.48Å; D190-R305 IonicContact OD1-NH1 2.71Å; D190-R305 IonicContact OD1-NH2 3.92Å; D190-R305 PolarHBondContact OD1-NH2 3.39Å; D190-R305 IonicContact OD2-CZ 3.29Å; D190-R305 IonicContact OD2-NH1 3.37Å; D190-R305 PolarHBondContact OD2-NH1 3.11Å; D190-R305 IonicContact OD2-NH2 3.49Å; D190-R305 PolarHBondContact OD2-NH2 3.17Å; Q301-R305 WeakPolarHBondContact O-CB 3.48Å; Q301-R305 PolarHBondContact O-N 3.18Å; E302-R305 WeakPolarHBondContact O-CB 3.2Å; E302-R305 PolarHBondContact O-N 3.25Å; E302-R305 VanDerWaalsContact O-N 3.11Å; D303-R305 PolarHBondContact O-N 3.2Å; R305-M308 PolarHBondContact O-N 3.05Å; R305-Q309 WeakPolarHBondContact O-CB 2.9Å; R305-Q309 PolarHBondContact O-N 2.94Å
306	K	94.3	Very high	94	Very high	17 Å²	17	50 Å²	50	7%	0.074	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-45.9	179.7	-177.6	54.2	174	165.8	0	112.7	S192 E197 E302 D303 K304 M308 Q309 Q310 E380	S192-K306 PolarHBondContact O-NZ 3.07Å; E197-K306 IonicContact OE1-NZ 3.37Å; E197-K306 PolarHBondContact OE1-NZ 3.08Å; E197-K306 IonicContact OE2-NZ 2.61Å; E197-K306 PolarHBondContact OE2-NZ 3.01Å; E302-K306 PolarHBondContact O-N 3.15Å; D303-K306 PolarHBondContact O-N 3.31Å; K304-K306 VanDerWaalsContact C-N 3.32Å; K304-K306 PolarHBondContact O-N 3.31Å; K306-M308 PolarHBondContact O-N 3.4Å; K306-Q309 PolarHBondContact O-N 3.41Å; K306-Q310 PolarHBondContact O-N 3.44Å; K306-E380 HydrophobicContact CG-CG 4.06Å; K306-E380 WeakPolarHBondContact CG-OE2 3.18Å
307	I	96.5	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-44.4	176.8	-66	168.6	0	0	0	110.8	L288 L299 D303 K304 Q310 M311 L376 E380 W381	L288-I307 HydrophobicContact CD1-CG2 4.06Å; L288-I307 HydrophobicContact CD2-CG2 3.73Å; L299-I307 HydrophobicContact CD1-CD1 3.98Å; L299-I307 HydrophobicContact CD2-CD1 4.35Å; D303-I307 WeakPolarHBondContact O-CB 3.44Å; D303-I307 VanDerWaalsContact O-CG1 3.26Å; D303-I307 WeakPolarHBondContact O-CG1 3.38Å; D303-I307 PolarHBondContact O-N 2.88Å; K304-I307 PolarHBondContact O-N 3.47Å; I307-Q310 PolarHBondContact O-N 3.4Å; I307-M311 HydrophobicContact CG2-CG 4.44Å; I307-M311 HydrophobicContact CG2-SD 3.85Å; I307-M311 WeakPolarHBondContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CG 3.32Å; I307-M311 PolarHBondContact O-N 3.46Å; I307-L376 HydrophobicContact CB-CD2 4.46Å; I307-L376 HydrophobicContact CG1-CG 4.33Å; I307-L376 HydrophobicContact CG2-CD2 3.93Å; I307-L376 HydrophobicContact CG2-CG 4.41Å; I307-E380 HydrophobicContact CD1-CB 4.03Å; I307-E380 HydrophobicContact CG1-CB 3.56Å; I307-E380 HydrophobicContact CG1-CG 4.25Å; I307-W381 HydrophobicContact CD1-CB 4.3Å
308	M	95.1	Very high	93.4	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-46.9	178.2	-73.6	-176.6	76.3	0	0	111.8	N281 I284 D285 L288 K304 R305 K306 Q310 M311 M312	N281-M308 WeakPolarHBondContact ND2-CE 3.48Å; N281-M308 VanDerWaalsContact OD1-CE 3.32Å; N281-M308 WeakPolarHBondContact OD1-CE 3.36Å; I284-M308 HydrophobicContact CG2-CG 4Å; D285-M308 HydrophobicContact CB-CE 4.08Å; L288-M308 HydrophobicContact CD1-CG 3.61Å; L288-M308 HydrophobicContact CD1-SD 4.47Å; K304-M308 HydrophobicContact CD-SD 4.32Å; K304-M308 HydrophobicContact CG-CG 4.2Å; K304-M308 HydrophobicContact CG-SD 3.78Å; K304-M308 VanDerWaalsContact O-CB 3.3Å; K304-M308 WeakPolarHBondContact O-CB 3.41Å; K304-M308 WeakPolarHBondContact O-CG 3.33Å; K304-M308 PolarHBondContact O-N 3.44Å; R305-M308 PolarHBondContact O-N 3.05Å; K306-M308 PolarHBondContact O-N 3.4Å; M308-Q310 VanDerWaalsContact C-N 3.34Å; M308-Q310 PolarHBondContact O-N 2.89Å; M308-M311 PolarHBondContact O-N 3.17Å; M308-M312 WeakPolarHBondContact O-CB 3.4Å; M308-M312 VanDerWaalsContact O-CG 3.26Å; M308-M312 WeakPolarHBondContact O-CG 3.33Å; M308-M312 PolarHBondContact O-N 2.96Å
309	Q	92.3	Very high	93	Very high	32 Å²	32	43.1 Å²	43.1	15%	0.15	20%	0.199	C	C	.	.	H	α-helix	trans	-54.1	-51.5	176.3	-177.8	-167.7	-19.3	0	0	110.7	V191 R305 K306 M311 M312 S313	V191-Q309 VanDerWaalsContact CG1-NE2 3.26Å; R305-Q309 WeakPolarHBondContact O-CB 2.9Å; R305-Q309 PolarHBondContact O-N 2.94Å; K306-Q309 PolarHBondContact O-N 3.41Å; Q309-M311 PolarHBondContact O-N 3.32Å; Q309-M312 PolarHBondContact O-N 3.48Å; Q309-S313 WeakPolarHBondContact O-CB 3.39Å; Q309-S313 PolarHBondContact O-N 2.9Å
310	Q	93.6	Very high	92.4	Very high	25 Å²	25	42.3 Å²	42.3	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-40.4	-177.4	-170.4	58.3	47.2	0	0	112.8	E197 K306 I307 M308 S313 W314 L376	E197-Q310 PolarHBondContact OE1-OE1 3.09Å; K306-Q310 PolarHBondContact O-N 3.44Å; I307-Q310 PolarHBondContact O-N 3.4Å; M308-Q310 VanDerWaalsContact C-N 3.34Å; M308-Q310 PolarHBondContact O-N 2.89Å; Q310-S313 PolarHBondContact O-N 3.07Å; Q310-W314 HydrophobicContact CG-CD2 4.28Å; Q310-W314 HydrophobicContact CG-CH2 3.98Å; Q310-W314 HydrophobicContact CG-CZ2 3.54Å; Q310-W314 HydrophobicContact CG-CZ3 4.49Å; Q310-W314 PolarHBondContact O-N 3.35Å; Q310-L376 HydrophobicContact CB-CD1 3.91Å; Q310-L376 HydrophobicContact CB-CD2 3.94Å; Q310-L376 HydrophobicContact CG-CD1 3.88Å; Q310-L376 HydrophobicContact CG-CD2 4.08Å
311	M	94.6	Very high	92	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-36.9	177	-74.6	-177.7	75.1	0	0	112.2	I284 F287 I307 M308 Q309 W314 Y315 L354 W365 L376	I284-M311 HydrophobicContact CD1-CB 3.76Å; I284-M311 HydrophobicContact CG1-CB 4.34Å; I284-M311 HydrophobicContact CG1-CE 4.37Å; I284-M311 HydrophobicContact CG2-CB 4.17Å; I284-M311 HydrophobicContact CG2-CE 4.16Å; I284-M311 HydrophobicContact CG2-SD 3.86Å; F287-M311 HydrophobicContact CD1-CE 3.8Å; F287-M311 HydrophobicContact CD1-SD 4.27Å; F287-M311 HydrophobicContact CE1-CE 3.74Å; F287-M311 HydrophobicContact CE1-SD 3.98Å; I307-M311 HydrophobicContact CG2-CG 4.44Å; I307-M311 HydrophobicContact CG2-SD 3.85Å; I307-M311 WeakPolarHBondContact O-CB 3.3Å; I307-M311 WeakPolarHBondContact O-CG 3.32Å; I307-M311 PolarHBondContact O-N 3.46Å; M308-M311 PolarHBondContact O-N 3.17Å; Q309-M311 PolarHBondContact O-N 3.32Å; M311-W314 HydrophobicContact CG-CE3 4.15Å; M311-W314 HydrophobicContact CG-CZ3 4.09Å; M311-Y315 PolarHBondContact O-N 3.46Å; M311-Y315 VanDerWaalsContact O-N 3.16Å; M311-L354 HydrophobicContact CE-CD2 4.12Å; M311-W365 HydrophobicContact CB-CH2 3.89Å; M311-W365 HydrophobicContact CE-CH2 3.55Å; M311-W365 HydrophobicContact CE-CZ2 4.34Å; M311-W365 HydrophobicContact CE-CZ3 4.39Å; M311-W365 HydrophobicContact CG-CH2 4.19Å; M311-L376 HydrophobicContact CG-CD2 3.85Å
312	M	92.4	Very high	91.5	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-42.7	174	-73	-177	69.7	0	0	111.5	W271 I277 N281 I284 M308 Q309 W314 Y315 V316	W271-M312 HydrophobicContact CH2-CB 4.14Å; W271-M312 HydrophobicContact CH2-CE 3.49Å; W271-M312 VanDerWaalsContact CH2-CE 3.49Å; W271-M312 HydrophobicContact CH2-CG 4.36Å; W271-M312 HydrophobicContact CZ2-CB 4.26Å; W271-M312 HydrophobicContact CZ2-CE 3.59Å; W271-M312 HydrophobicContact CZ3-CE 4.45Å; I277-M312 HydrophobicContact CG2-CE 3.8Å; N281-M312 HydrophobicContact CB-CE 4.27Å; N281-M312 HydrophobicContact CB-SD 4.13Å; N281-M312 PolarHBondContact ND2-SD 3.07Å; I284-M312 HydrophobicContact CD1-CG 3.65Å; M308-M312 WeakPolarHBondContact O-CB 3.4Å; M308-M312 VanDerWaalsContact O-CG 3.26Å; M308-M312 WeakPolarHBondContact O-CG 3.33Å; M308-M312 PolarHBondContact O-N 2.96Å; Q309-M312 PolarHBondContact O-N 3.48Å; M312-W314 VanDerWaalsContact C-N 3.34Å; M312-W314 PolarHBondContact O-N 3.49Å; M312-Y315 WeakPolarHBondContact O-CB 3.19Å; M312-Y315 PolarHBondContact O-N 2.93Å; M312-Y315 VanDerWaalsContact O-N 3.12Å; M312-V316 WeakPolarHBondContact O-CG2 3.41Å; M312-V316 PolarHBondContact O-N 3.5Å
313	S	90.3	Very high	91.1	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-46.4	174	175.9	0	0	0	0	111.4	Q309 Q310 Y315 V316 E317	Q309-S313 WeakPolarHBondContact O-CB 3.39Å; Q309-S313 PolarHBondContact O-N 2.9Å; Q310-S313 PolarHBondContact O-N 3.07Å; S313-Y315 VanDerWaalsContact C-N 3.3Å; S313-Y315 PolarHBondContact O-N 3.14Å; S313-V316 PolarHBondContact O-N 2.96Å; S313-E317 WeakPolarHBondContact O-CB 3.39Å; S313-E317 PolarHBondContact O-N 2.89Å
314	W	90.9	Very high	90.2	Very high	18 Å²	18	35.3 Å²	35.3	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-33	175.6	-68.1	-24.5	0	0	0	114.4	Q310 M311 M312 Y318 W365 R369 N372 I373 L376	Q310-W314 HydrophobicContact CG-CD2 4.28Å; Q310-W314 HydrophobicContact CG-CH2 3.98Å; Q310-W314 HydrophobicContact CG-CZ2 3.54Å; Q310-W314 HydrophobicContact CG-CZ3 4.49Å; Q310-W314 PolarHBondContact O-N 3.35Å; M311-W314 HydrophobicContact CG-CE3 4.15Å; M311-W314 HydrophobicContact CG-CZ3 4.09Å; M312-W314 VanDerWaalsContact C-N 3.34Å; M312-W314 PolarHBondContact O-N 3.49Å; W314-Y318 VanDerWaalsContact O-CB 3.31Å; W314-Y318 WeakPolarHBondContact O-CB 3.5Å; W314-Y318 PolarHBondContact O-N 2.65Å; W314-W365 HydrophobicContact CB-CE3 4.21Å; W314-W365 HydrophobicContact CB-CZ3 4.24Å; W314-W365 HydrophobicContact CE3-CZ3 4.03Å; W314-R369 HydrophobicContact CB-CG 4.35Å; W314-R369 HydrophobicContact CD2-CG 4.37Å; W314-R369 HydrophobicContact CE3-CB 4.38Å; W314-R369 HydrophobicContact CE3-CG 4.49Å; W314-R369 HydrophobicContact CG-CG 4.34Å; W314-N372 HydrophobicContact CH2-CB 3.52Å; W314-N372 HydrophobicContact CZ2-CB 3.63Å; W314-N372 HydrophobicContact CZ3-CB 4.17Å; W314-I373 HydrophobicContact CE3-CG1 4.42Å; W314-I373 HydrophobicContact CZ3-CG1 3.78Å; W314-L376 HydrophobicContact CH2-CB 3.88Å; W314-L376 HydrophobicContact CH2-CD2 3.65Å; W314-L376 HydrophobicContact CH2-CG 4.27Å; W314-L376 HydrophobicContact CZ3-CD2 3.71Å
315	Y	91.3	Very high	89.3	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-47.7	174.3	171.8	-97.6	0	0	0	111	W271 Q276 I280 M311 M312 S313 E317 Y318 N319 E363 W365	W271-Y315 HydrophobicContact CE3-CD1 4.08Å; W271-Y315 AromaticContact CE3-CE1 3.87Å; W271-Y315 HydrophobicContact CE3-CE1 3.87Å; W271-Y315 AromaticContact CH2-CD1 3.77Å; W271-Y315 HydrophobicContact CH2-CD1 3.77Å; W271-Y315 HydrophobicContact CH2-CE1 4.37Å; W271-Y315 AromaticContact CZ3-CD1 3.36Å; W271-Y315 HydrophobicContact CZ3-CD1 3.36Å; W271-Y315 AromaticContact CZ3-CE1 3.5Å; W271-Y315 HydrophobicContact CZ3-CE1 3.5Å; Q276-Y315 HydrophobicContact CG-CE1 4.03Å; Q276-Y315 PolarHBondContact NE2-OH 3.44Å; I280-Y315 HydrophobicContact CD1-CD1 4.47Å; I280-Y315 HydrophobicContact CD1-CD2 4.02Å; I280-Y315 HydrophobicContact CD1-CE1 4.09Å; I280-Y315 HydrophobicContact CD1-CE2 3.62Å; I280-Y315 HydrophobicContact CD1-CG 4.42Å; I280-Y315 HydrophobicContact CG1-CD1 3.9Å; I280-Y315 HydrophobicContact CG1-CD2 4.32Å; I280-Y315 HydrophobicContact CG1-CE1 3.6Å; I280-Y315 HydrophobicContact CG1-CE2 4.07Å; I280-Y315 HydrophobicContact CG1-CG 4.24Å; I280-Y315 HydrophobicContact CG2-CD1 4.13Å; I280-Y315 HydrophobicContact CG2-CD2 4.46Å; I280-Y315 HydrophobicContact CG2-CG 4Å; M311-Y315 PolarHBondContact O-N 3.46Å; M311-Y315 VanDerWaalsContact O-N 3.16Å; M312-Y315 WeakPolarHBondContact O-CB 3.19Å; M312-Y315 PolarHBondContact O-N 2.93Å; M312-Y315 VanDerWaalsContact O-N 3.12Å; S313-Y315 VanDerWaalsContact C-N 3.3Å; S313-Y315 PolarHBondContact O-N 3.14Å; Y315-E317 VanDerWaalsContact C-N 3.34Å; Y315-E317 PolarHBondContact O-N 2.74Å; Y315-Y318 WeakPolarHBondContact O-CB 3.3Å; Y315-Y318 PolarHBondContact O-N 3.32Å; Y315-Y318 VanDerWaalsContact O-N 3.17Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.41Å; Y315-N319 VanDerWaalsContact CZ-ND2 3.33Å; Y315-N319 PolarHBondContact O-N 2.9Å; Y315-N319 PolarHBondContact OH-ND2 3.24Å; Y315-N319 PolarHBondContact OH-OD1 2.95Å; Y315-E363 HydrophobicContact CE2-CB 4Å; Y315-E363 HydrophobicContact CE2-CG 3.98Å; Y315-W365 AromaticContact CD2-CD1 3.64Å; Y315-W365 HydrophobicContact CD2-CG 4.32Å; Y315-W365 AromaticContact CD2-NE1 3.7Å
316	V	89.9	Confident	88.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-43.5	178.6	173.5	0	0	0	0	111.5	H266 Y269 N270 W271 M312 S313 Y318 N319 F320	H266-V316 WeakPolarHBondContact O-CG1 3.45Å; Y269-V316 WeakPolarHBondContact O-CG1 2.98Å; N270-V316 HydrophobicContact CB-CG1 4.09Å; W271-V316 HydrophobicContact CD2-CG2 3.9Å; W271-V316 HydrophobicContact CE3-CG2 4.36Å; W271-V316 HydrophobicContact CH2-CG2 3.76Å; W271-V316 HydrophobicContact CZ2-CG2 3.21Å; W271-V316 HydrophobicContact CZ3-CG2 4.3Å; M312-V316 WeakPolarHBondContact O-CG2 3.41Å; M312-V316 PolarHBondContact O-N 3.5Å; S313-V316 PolarHBondContact O-N 2.96Å; V316-Y318 VanDerWaalsContact C-N 3.29Å; V316-Y318 PolarHBondContact O-N 2.65Å; V316-N319 WeakPolarHBondContact O-CB 3.21Å; V316-N319 PolarHBondContact O-N 3.48Å; V316-F320 HydrophobicContact CG1-CD2 4.29Å; V316-F320 HydrophobicContact CG1-CE2 4.29Å; V316-F320 PolarHBondContact O-N 3.32Å
317	E	88.5	Confident	88.6	Confident	16 Å²	16	28.2 Å²	28.2	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-38.1	175.7	-169.7	-176	179.9	0	0	111.7	S313 Y315 F320 Y321 Q325 R369	S313-E317 WeakPolarHBondContact O-CB 3.39Å; S313-E317 PolarHBondContact O-N 2.89Å; Y315-E317 VanDerWaalsContact C-N 3.34Å; Y315-E317 PolarHBondContact O-N 2.74Å; E317-F320 PolarHBondContact O-N 2.93Å; E317-Y321 PolarHBondContact O-N 3.23Å; E317-Q325 VanDerWaalsContact OE1-CD 3.22Å; E317-Q325 PolarHBondContact OE1-NE2 2.79Å; E317-Q325 PolarHBondContact OE1-OE1 3.26Å; E317-Q325 VanDerWaalsContact OE1-OE1 3.06Å; E317-R369 IonicContact OE1-NH2 3.15Å; E317-R369 PolarHBondContact OE1-NH2 3.04Å; E317-R369 IonicContact OE2-CZ 3.75Å; E317-R369 IonicContact OE2-NH2 2.8Å; E317-R369 PolarHBondContact OE2-NH2 2.77Å
318	Y	88.9	Confident	88.3	Confident	48 Å²	48	28.4 Å²	28.4	19%	0.188	13%	0.131	C	C	.	.	H	α-helix	trans	-68.1	-39.7	173.8	-177.3	-96.2	0	0	0	112.4	W314 Y315 V316 F320 Y321 P322 E363 W365 I368	W314-Y318 VanDerWaalsContact O-CB 3.31Å; W314-Y318 WeakPolarHBondContact O-CB 3.5Å; W314-Y318 PolarHBondContact O-N 2.65Å; Y315-Y318 WeakPolarHBondContact O-CB 3.3Å; Y315-Y318 PolarHBondContact O-N 3.32Å; Y315-Y318 VanDerWaalsContact O-N 3.17Å; V316-Y318 VanDerWaalsContact C-N 3.29Å; V316-Y318 PolarHBondContact O-N 2.65Å; Y318-F320 PolarHBondContact O-N 3.36Å; Y318-Y321 CarbonylContact O-C 3.47Å; Y318-Y321 PolarHBondContact O-N 3.1Å; Y318-P322 HydrophobicContact CD1-CB 4.48Å; Y318-P322 HydrophobicContact CD2-CB 4.08Å; Y318-P322 HydrophobicContact CE1-CB 4.09Å; Y318-P322 VanDerWaalsContact CE2-CA 3.47Å; Y318-P322 HydrophobicContact CE2-CB 3.62Å; Y318-P322 HydrophobicContact CG-CB 4.48Å; Y318-P322 WeakPolarHBondContact O-CA 3.28Å; Y318-P322 WeakPolarHBondContact O-CB 3.21Å; Y318-E363 WeakPolarHBondContact CD1-O 3.46Å; Y318-E363 WeakPolarHBondContact CE1-O 3.36Å; Y318-W365 HydrophobicContact CD1-CB 3.83Å; Y318-W365 HydrophobicContact CD2-CB 4.01Å; Y318-W365 HydrophobicContact CE1-CB 4.45Å; Y318-W365 HydrophobicContact CG-CB 3.57Å; Y318-I368 HydrophobicContact CD2-CD1 4.06Å; Y318-I368 HydrophobicContact CE2-CD1 3.39Å
319	N	85.8	Confident	87.9	Confident	51 Å²	51	29.3 Å²	29.3	27%	0.273	13%	0.133	S	C	.	.	H	α-helix	trans	-58.4	-36.5	173.5	-80	2.1	0	0	0	111.4	N270 Y315 V316	N270-N319 WeakPolarHBondContact ND2-CB 3.35Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.41Å; Y315-N319 VanDerWaalsContact CZ-ND2 3.33Å; Y315-N319 PolarHBondContact O-N 2.9Å; Y315-N319 PolarHBondContact OH-ND2 3.24Å; Y315-N319 PolarHBondContact OH-OD1 2.95Å; V316-N319 WeakPolarHBondContact O-CB 3.21Å; V316-N319 PolarHBondContact O-N 3.48Å
320	F	83.3	Confident	87.8	Confident	10 Å²	10	28.4 Å²	28.4	4%	0.044	13%	0.129	C	C	.	.	H	α-helix	trans	-72.7	-58.9	172	-85.1	-55.6	0	0	0	112.1	R150 W151 F154 H266 N270 V316 E317 Y318 P322	R150-F320 VanDerWaalsContact CZ-CZ 3.47Å; R150-F320 VanDerWaalsContact NE-CE1 3.33Å; W151-F320 WeakPolarHBondContact CZ2-O 2.86Å; W151-F320 PolarHBondContact NE1-O 3.31Å; F154-F320 HydrophobicContact CE2-CB 4.16Å; F154-F320 HydrophobicContact CE2-CD2 4.42Å; F154-F320 HydrophobicContact CE2-CG 4.47Å; H266-F320 HydrophobicContact CB-CE2 4.11Å; N270-F320 HydrophobicContact CB-CD1 4.37Å; N270-F320 HydrophobicContact CB-CD2 3.81Å; N270-F320 HydrophobicContact CB-CE1 3.69Å; N270-F320 HydrophobicContact CB-CE2 3.1Å; N270-F320 HydrophobicContact CB-CG 4.41Å; N270-F320 HydrophobicContact CB-CZ 3.07Å; N270-F320 VanDerWaalsContact CG-CE2 3.43Å; N270-F320 WeakPolarHBondContact ND2-CD1 3.27Å; N270-F320 VanDerWaalsContact ND2-CD2 3.27Å; N270-F320 WeakPolarHBondContact ND2-CD2 3.29Å; N270-F320 WeakPolarHBondContact ND2-CE1 3.41Å; N270-F320 WeakPolarHBondContact ND2-CE2 3.44Å; N270-F320 WeakPolarHBondContact ND2-CG 3.34Å; N270-F320 PolarHBondContact ND2-N 2.98Å; N270-F320 VanDerWaalsContact OD1-CE1 3.25Å; N270-F320 WeakPolarHBondContact OD1-CE1 3.47Å; V316-F320 HydrophobicContact CG1-CD2 4.29Å; V316-F320 HydrophobicContact CG1-CE2 4.29Å; V316-F320 PolarHBondContact O-N 3.32Å; E317-F320 PolarHBondContact O-N 2.93Å; Y318-F320 PolarHBondContact O-N 3.36Å; F320-P322 WeakPolarHBondContact O-CD 3.35Å
321	Y	87.6	Confident	87.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.008	14%	0.135	C	C	.	.			trans	-128.7	84.2	-165.8	-174.8	-134.9	0	0	0	110	R133 W151 F154 E317 Y318 Y323	R133-Y321 WeakPolarHBondContact CB-OH 3.27Å; R133-Y321 WeakPolarHBondContact O-CE2 3.34Å; W151-Y321 HydrophobicContact CB-CD2 3.91Å; W151-Y321 HydrophobicContact CB-CE2 4.13Å; W151-Y321 AromaticContact CD2-CD2 3.73Å; W151-Y321 HydrophobicContact CD2-CD2 3.73Å; W151-Y321 HydrophobicContact CD2-CE2 4.28Å; W151-Y321 AromaticContact CE3-CD2 3.96Å; W151-Y321 HydrophobicContact CE3-CD2 3.96Å; W151-Y321 HydrophobicContact CE3-CE2 4.12Å; W151-Y321 AromaticContact CG-CD2 3.72Å; W151-Y321 HydrophobicContact CG-CD2 3.72Å; W151-Y321 HydrophobicContact CG-CE2 4.32Å; W151-Y321 HydrophobicContact CG-CG 4.44Å; F154-Y321 HydrophobicContact CB-CD1 4.02Å; F154-Y321 HydrophobicContact CB-CE1 4.45Å; E317-Y321 PolarHBondContact O-N 3.23Å; Y318-Y321 CarbonylContact O-C 3.47Å; Y318-Y321 PolarHBondContact O-N 3.1Å; Y321-Y323 AromaticContact CD2-CD2 3.48Å; Y321-Y323 HydrophobicContact CD2-CD2 3.48Å; Y321-Y323 VanDerWaalsContact CD2-CD2 3.48Å; Y321-Y323 HydrophobicContact CD2-CE2 4.22Å; Y321-Y323 HydrophobicContact CD2-CG 4.39Å; Y321-Y323 AromaticContact CE2-CD2 3.35Å; Y321-Y323 HydrophobicContact CE2-CD2 3.35Å; Y321-Y323 HydrophobicContact CE2-CE2 4.13Å; Y321-Y323 AromaticContact CE2-CG 3.98Å; Y321-Y323 HydrophobicContact CE2-CG 3.98Å; Y321-Y323 HydrophobicContact CG-CD2 4.42Å; Y321-Y323 PolarHBondContact O-N 2.69Å
322	P	85.8	Confident	87.4	Confident	52 Å²	52	30.9 Å²	30.9	34%	0.338	14%	0.139	S	C	.	.			trans	-78.4	32.9	-169.5	32.7	-37.9	0	0	0	113.7	Y318 F320	Y318-P322 HydrophobicContact CD1-CB 4.48Å; Y318-P322 HydrophobicContact CD2-CB 4.08Å; Y318-P322 HydrophobicContact CE1-CB 4.09Å; Y318-P322 VanDerWaalsContact CE2-CA 3.47Å; Y318-P322 HydrophobicContact CE2-CB 3.62Å; Y318-P322 HydrophobicContact CG-CB 4.48Å; Y318-P322 WeakPolarHBondContact O-CA 3.28Å; Y318-P322 WeakPolarHBondContact O-CB 3.21Å; F320-P322 WeakPolarHBondContact O-CD 3.35Å
323	Y	84.1	Confident	87.3	Confident	73 Å²	73	35 Å²	35	29%	0.286	16%	0.156	S	C	.	.	S	Bend	trans	-112.2	146.8	-177.4	-63.4	-87.8	0	0	0	111.4	R132 R133 G134 W151 Y321 Q325	R132-Y323 WeakPolarHBondContact O-CD1 3.28Å; R133-Y323 VanDerWaalsContact CA-CD1 3.47Å; R133-Y323 HydrophobicContact CB-CD1 4.49Å; R133-Y323 HydrophobicContact CB-CG 4.48Å; R133-Y323 WeakPolarHBondContact O-CD2 3.4Å; R133-Y323 WeakPolarHBondContact O-CE2 3.29Å; G134-Y323 WeakPolarHBondContact CA-OH 3.49Å; W151-Y323 HydrophobicContact CE3-CE2 4.09Å; W151-Y323 AromaticContact CH2-CE2 3.82Å; W151-Y323 HydrophobicContact CH2-CE2 3.82Å; W151-Y323 HydrophobicContact CZ3-CD2 4.43Å; W151-Y323 AromaticContact CZ3-CE2 3.48Å; W151-Y323 HydrophobicContact CZ3-CE2 3.48Å; W151-Y323 VanDerWaalsContact CZ3-CE2 3.48Å; Y321-Y323 AromaticContact CD2-CD2 3.48Å; Y321-Y323 HydrophobicContact CD2-CD2 3.48Å; Y321-Y323 VanDerWaalsContact CD2-CD2 3.48Å; Y321-Y323 HydrophobicContact CD2-CE2 4.22Å; Y321-Y323 HydrophobicContact CD2-CG 4.39Å; Y321-Y323 AromaticContact CE2-CD2 3.35Å; Y321-Y323 HydrophobicContact CE2-CD2 3.35Å; Y321-Y323 HydrophobicContact CE2-CE2 4.13Å; Y321-Y323 AromaticContact CE2-CG 3.98Å; Y321-Y323 HydrophobicContact CE2-CG 3.98Å; Y321-Y323 HydrophobicContact CG-CD2 4.42Å; Y321-Y323 PolarHBondContact O-N 2.69Å; Y323-Q325 PolarHBondContact O-N 2.93Å
324	R	78.1	Confident	87.2	Confident	140 Å²	140	36 Å²	36	53%	0.528	16%	0.159	S	C	.	.			trans	-63	121.1	175.8	-173	174.1	-171.6	-175.1	1.7	110.1	R133 I326 D330 I368	R133-R324 PolarHBondContact NH1-O 3.5Å; R133-R324 PolarHBondContact NH2-O 2.84Å; R324-I326 HydrophobicContact CG-CB 4.47Å; R324-I326 HydrophobicContact CG-CD1 4.26Å; R324-D330 IonicContact NH2-OD2 2.64Å; R324-I368 HydrophobicContact CB-CG2 4.25Å; R324-I368 HydrophobicContact CG-CG2 4.21Å
325	Q	78.2	Confident	87.3	Confident	16 Å²	16	38.8 Å²	38.8	8%	0.075	17%	0.172	C	C	.	.			trans	-78.1	-31.2	-169.9	-64.4	-177.3	-14	0	0	113.7	R133 Q158 E317 Y323 M327 R369	R133-Q325 PolarHBondContact NH1-O 3.27Å; R133-Q325 PolarHBondContact NH2-O 3.35Å; Q158-Q325 HydrophobicContact CG-CB 4.2Å; Q158-Q325 VanDerWaalsContact CG-O 3.27Å; Q158-Q325 WeakPolarHBondContact CG-O 3.4Å; E317-Q325 VanDerWaalsContact OE1-CD 3.22Å; E317-Q325 PolarHBondContact OE1-NE2 2.79Å; E317-Q325 PolarHBondContact OE1-OE1 3.26Å; E317-Q325 VanDerWaalsContact OE1-OE1 3.06Å; Y323-Q325 PolarHBondContact O-N 2.93Å; Q325-M327 WeakPolarHBondContact O-CG 3.32Å; Q325-M327 PolarHBondContact O-N 3.45Å; Q325-M327 VanDerWaalsContact O-N 3.12Å; Q325-R369 VanDerWaalsContact NE2-NH2 3.17Å; Q325-R369 VanDerWaalsContact OE1-NH1 3.09Å
326	I	85.9	Confident	87.5	Confident	38 Å²	38	38.6 Å²	38.6	20%	0.195	17%	0.171	C	C	.	.			trans	-50.2	116.1	178.7	-64.7	147.2	0	0	0	112.6	R133 R324 D330	R133-I326 PolarHBondContact NH2-O 2.71Å; R324-I326 HydrophobicContact CG-CB 4.47Å; R324-I326 HydrophobicContact CG-CD1 4.26Å; I326-D330 HydrophobicContact CD1-CB 3.68Å; I326-D330 VanDerWaalsContact CD1-CG 3.44Å; I326-D330 WeakPolarHBondContact CD1-OD2 3.18Å; I326-D330 HydrophobicContact CG1-CB 3.89Å; I326-D330 HydrophobicContact CG2-CB 3.95Å
327	M	87.2	Confident	87.5	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.034	18%	0.182	C	C	.	.	S	Bend	trans	-88.8	-64.3	-176	-61.2	-176.4	159.5	0	0	112.3	M1 Y85 F155 Q158 Y159 E162 Q325	M1-M327 HydrophobicContact CE-CB 3.64Å; M1-M327 HydrophobicContact CE-CE 3.8Å; M1-M327 HydrophobicContact CE-CG 3.65Å; M1-M327 HydrophobicContact CE-SD 3.07Å; M1-M327 WeakPolarHBondContact CE-SD 3.26Å; M1-M327 PolarHBondContact N-O 2.64Å; Y85-M327 WeakPolarHBondContact OH-CB 3.31Å; F155-M327 HydrophobicContact CD2-CE 3.31Å; F155-M327 HydrophobicContact CE2-CE 3.29Å; F155-M327 HydrophobicContact CE2-SD 4.44Å; F155-M327 HydrophobicContact CG-CE 4.09Å; F155-M327 HydrophobicContact CZ-CE 4.1Å; F155-M327 WeakPolarHBondContact O-CE 3.48Å; Q158-M327 HydrophobicContact CB-CE 3.9Å; Q158-M327 HydrophobicContact CG-CE 3.94Å; Q158-M327 HydrophobicContact CG-CG 3.91Å; Q158-M327 HydrophobicContact CG-SD 4.11Å; Y159-M327 WeakPolarHBondContact CA-SD 3.47Å; Y159-M327 HydrophobicContact CD2-SD 4.37Å; Y159-M327 VanDerWaalsContact N-CE 3.3Å; Y159-M327 PolarHBondContact N-SD 2.96Å; Y159-M327 VanDerWaalsContact N-SD 3.41Å; E162-M327 WeakPolarHBondContact OE1-CB 3.31Å; E162-M327 PolarHBondContact OE1-N 2.78Å; Q325-M327 WeakPolarHBondContact O-CG 3.32Å; Q325-M327 PolarHBondContact O-N 3.45Å; Q325-M327 VanDerWaalsContact O-N 3.12Å
328	L	89.8	Confident	87.6	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	19%	0.194	C	C	.	.	S	Bend	trans	-113	-41.9	175.5	-67.7	-177.8	0	0	0	111	M1 K2 L5 Y81 I84 Y85 F91 E162	M1-L328 VanDerWaalsContact C-CD2 3.41Å; M1-L328 HydrophobicContact CB-CD2 3.6Å; M1-L328 HydrophobicContact CB-CG 4.17Å; K2-L328 WeakPolarHBondContact CE-O 3.43Å; K2-L328 HydrophobicContact CG-CD2 4.09Å; L5-L328 HydrophobicContact CD1-CD2 4.2Å; L5-L328 HydrophobicContact CG-CD2 4.37Å; Y81-L328 HydrophobicContact CD1-CB 3.75Å; Y81-L328 HydrophobicContact CD1-CD1 4.2Å; Y81-L328 HydrophobicContact CE1-CB 3.86Å; I84-L328 HydrophobicContact CG2-CD1 4.42Å; Y85-L328 HydrophobicContact CD2-CD1 4.19Å; Y85-L328 HydrophobicContact CE1-CD1 4.01Å; Y85-L328 HydrophobicContact CE2-CB 4.42Å; Y85-L328 HydrophobicContact CE2-CD1 3.6Å; Y85-L328 HydrophobicContact CE2-CG 4.25Å; Y85-L328 VanDerWaalsContact CZ-CD1 3.5Å; Y85-L328 WeakPolarHBondContact OH-CG 3.2Å; F91-L328 HydrophobicContact CD2-CD1 4.49Å; F91-L328 HydrophobicContact CE1-CD1 4.19Å; F91-L328 HydrophobicContact CE1-CD2 4.46Å; F91-L328 HydrophobicContact CE2-CD1 3.66Å; F91-L328 HydrophobicContact CZ-CD1 3.5Å; F91-L328 VanDerWaalsContact CZ-CD1 3.5Å; F91-L328 HydrophobicContact CZ-CD2 3.9Å; F91-L328 HydrophobicContact CZ-CG 4.13Å; E162-L328 PolarHBondContact OE2-N 3.1Å
329	Y	88.3	Confident	87.8	Confident	39 Å²	39	42.2 Å²	42.2	15%	0.153	19%	0.188	C	C	.	.			trans	-135.1	129.1	-167.4	179.1	-125.3	0	0	0	113	M77 Y81 E162 K331	M77-Y329 HydrophobicContact CB-CE1 4.25Å; M77-Y329 HydrophobicContact CB-CE2 4.26Å; M77-Y329 HydrophobicContact CG-CD2 4.45Å; M77-Y329 HydrophobicContact CG-CE2 3.97Å; Y81-Y329 AromaticContact CD2-CD1 3.73Å; Y81-Y329 HydrophobicContact CD2-CD1 3.73Å; Y81-Y329 AromaticContact CD2-CD2 3.84Å; Y81-Y329 HydrophobicContact CD2-CD2 3.84Å; Y81-Y329 HydrophobicContact CD2-CE1 4.48Å; Y81-Y329 AromaticContact CD2-CG 3.36Å; Y81-Y329 HydrophobicContact CD2-CG 3.36Å; Y81-Y329 VanDerWaalsContact CE2-CB 3.4Å; Y81-Y329 HydrophobicContact CE2-CD1 4.04Å; Y81-Y329 AromaticContact CE2-CD2 3.24Å; Y81-Y329 HydrophobicContact CE2-CD2 3.24Å; Y81-Y329 HydrophobicContact CE2-CE2 4.03Å; Y81-Y329 AromaticContact CE2-CG 3.27Å; Y81-Y329 HydrophobicContact CE2-CG 3.27Å; Y81-Y329 HydrophobicContact CG-CG 4.14Å; Y81-Y329 AromaticContact CZ-CD2 3.87Å; Y81-Y329 AromaticContact CZ-CG 3.97Å; E162-Y329 PolarHBondContact OE2-N 2.75Å; Y329-K331 HydrophobicContact CD1-CB 4.19Å; Y329-K331 VanDerWaalsContact CE1-CA 3.43Å; Y329-K331 HydrophobicContact CE1-CB 3.78Å; Y329-K331 PolarHBondContact O-N 3.1Å
330	D	89.3	Confident	88.2	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.064	19%	0.185	C	C	.	.			trans	-93	96.4	170.6	-175.6	-17	0	0	0	109.4	R324 I326 Y332 K333 N371	R324-D330 IonicContact NH2-OD2 2.64Å; I326-D330 HydrophobicContact CD1-CB 3.68Å; I326-D330 VanDerWaalsContact CD1-CG 3.44Å; I326-D330 WeakPolarHBondContact CD1-OD2 3.18Å; I326-D330 HydrophobicContact CG1-CB 3.89Å; I326-D330 HydrophobicContact CG2-CB 3.95Å; D330-Y332 PolarHBondContact O-N 2.82Å; D330-Y332 VanDerWaalsContact O-N 3.12Å; D330-Y332 PolarHBondContact OD1-N 3.42Å; D330-K333 HydrophobicContact CB-CB 3.75Å; D330-K333 WeakPolarHBondContact O-CB 3.26Å; D330-K333 PolarHBondContact O-N 3.38Å; D330-K333 VanDerWaalsContact O-N 3.12Å; D330-K333 PolarHBondContact OD1-N 2.5Å; D330-N371 PolarHBondContact OD2-ND2 2.86Å
331	K	88.1	Confident	88.4	Confident	56 Å²	56	43.9 Å²	43.9	24%	0.243	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.8	179.9	71.2	-157.6	-179.5	-158.5	0	114.3	E200 Y329	E200-K331 IonicContact OE1-NZ 2.8Å; E200-K331 PolarHBondContact OE1-NZ 3.16Å; Y329-K331 HydrophobicContact CD1-CB 4.19Å; Y329-K331 VanDerWaalsContact CE1-CA 3.43Å; Y329-K331 HydrophobicContact CE1-CB 3.78Å; Y329-K331 PolarHBondContact O-N 3.1Å
332	Y	91.5	Very high	88.4	Confident	22 Å²	22	45.4 Å²	45.4	9%	0.086	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-13.3	-179.3	-55.7	-56.8	0	0	0	113.4	R196 D330 K334 F335 A336 N372 F375	R196-Y332 PolarHBondContact NE-OH 3.01Å; D330-Y332 PolarHBondContact O-N 2.82Å; D330-Y332 VanDerWaalsContact O-N 3.12Å; D330-Y332 PolarHBondContact OD1-N 3.42Å; Y332-K334 PolarHBondContact O-N 3.13Å; Y332-F335 PolarHBondContact O-N 2.87Å; Y332-A336 VanDerWaalsContact O-CB 3.31Å; Y332-A336 WeakPolarHBondContact O-CB 3.18Å; Y332-A336 PolarHBondContact O-N 2.84Å; Y332-N372 HydrophobicContact CD2-CB 4.45Å; Y332-N372 WeakPolarHBondContact CD2-ND2 3.44Å; Y332-N372 WeakPolarHBondContact CE2-ND2 3Å; Y332-F375 HydrophobicContact CD1-CB 3.76Å; Y332-F375 AromaticContact CD1-CD1 3.69Å; Y332-F375 HydrophobicContact CD1-CD1 3.69Å; Y332-F375 AromaticContact CD1-CD2 3.67Å; Y332-F375 HydrophobicContact CD1-CD2 3.67Å; Y332-F375 HydrophobicContact CD1-CE1 4.18Å; Y332-F375 HydrophobicContact CD1-CE2 4.16Å; Y332-F375 AromaticContact CD1-CG 3.4Å; Y332-F375 HydrophobicContact CD1-CG 3.4Å; Y332-F375 HydrophobicContact CD1-CZ 4.39Å; Y332-F375 HydrophobicContact CE1-CB 4.27Å; Y332-F375 AromaticContact CE1-CD1 3.29Å; Y332-F375 HydrophobicContact CE1-CD1 3.29Å; Y332-F375 AromaticContact CE1-CD2 3.87Å; Y332-F375 HydrophobicContact CE1-CD2 3.87Å; Y332-F375 AromaticContact CE1-CE1 3.41Å; Y332-F375 HydrophobicContact CE1-CE1 3.41Å; Y332-F375 VanDerWaalsContact CE1-CE1 3.41Å; Y332-F375 AromaticContact CE1-CE2 3.98Å; Y332-F375 HydrophobicContact CE1-CE2 3.98Å; Y332-F375 AromaticContact CE1-CG 3.52Å; Y332-F375 HydrophobicContact CE1-CG 3.52Å; Y332-F375 AromaticContact CE1-CZ 3.76Å; Y332-F375 HydrophobicContact CE1-CZ 3.76Å; Y332-F375 HydrophobicContact CG-CB 4.16Å; Y332-F375 HydrophobicContact CG-CG 4.26Å; Y332-F375 AromaticContact CZ-CD1 3.88Å
333	K	91.1	Very high	88.7	Confident	113 Å²	113	44.5 Å²	44.5	49%	0.491	19%	0.194	S	C	.	.	H	α-helix	trans	-56.9	-46.8	-176.5	-177.9	179	179	-171.8	0	112.9	D330 R337	D330-K333 HydrophobicContact CB-CB 3.75Å; D330-K333 WeakPolarHBondContact O-CB 3.26Å; D330-K333 PolarHBondContact O-N 3.38Å; D330-K333 VanDerWaalsContact O-N 3.12Å; D330-K333 PolarHBondContact OD1-N 2.5Å; K333-R337 WeakPolarHBondContact O-CB 3.24Å; K333-R337 PolarHBondContact O-N 2.92Å
334	K	88.5	Confident	89	Confident	34 Å²	34	41.8 Å²	41.8	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-49.7	179	-176.3	179.1	-172.8	151.8	0	110.7	D20 Y332 A336 R337 E338	D20-K334 IonicContact OD1-NZ 3.45Å; D20-K334 PolarHBondContact OD1-NZ 3.22Å; D20-K334 VanDerWaalsContact OD2-CD 3.28Å; D20-K334 WeakPolarHBondContact OD2-CD 3.29Å; D20-K334 WeakPolarHBondContact OD2-CE 3.36Å; D20-K334 IonicContact OD2-NZ 2.69Å; D20-K334 PolarHBondContact OD2-NZ 3.32Å; Y332-K334 PolarHBondContact O-N 3.13Å; K334-A336 VanDerWaalsContact C-N 3.35Å; K334-A336 PolarHBondContact O-N 3.41Å; K334-R337 WeakPolarHBondContact O-CB 3.38Å; K334-R337 PolarHBondContact O-N 3.12Å; K334-R337 VanDerWaalsContact O-N 3.11Å; K334-E338 WeakPolarHBondContact O-CG 3.46Å; K334-E338 PolarHBondContact O-N 3.49Å
335	F	91.8	Very high	89.5	Confident	76 Å²	76	35.3 Å²	35.3	33%	0.333	16%	0.162	S	C	.	.	H	α-helix	trans	-53.8	-52.2	177.5	-177.7	-83.8	0	0	0	111.3	Y332 R337 E338 V339 F375 M378	Y332-F335 PolarHBondContact O-N 2.87Å; F335-R337 VanDerWaalsContact C-N 3.28Å; F335-R337 PolarHBondContact O-N 3.27Å; F335-E338 PolarHBondContact O-N 3.11Å; F335-E338 VanDerWaalsContact O-N 3.12Å; F335-V339 HydrophobicContact CD1-CG2 3.86Å; F335-V339 HydrophobicContact CE1-CG2 3.47Å; F335-V339 VanDerWaalsContact CE1-CG2 3.47Å; F335-V339 HydrophobicContact CZ-CG2 4.01Å; F335-V339 WeakPolarHBondContact O-CG2 3.41Å; F335-V339 PolarHBondContact O-N 2.96Å; F335-F375 HydrophobicContact CD1-CB 4.11Å; F335-F375 AromaticContact CD1-CD2 3.9Å; F335-F375 HydrophobicContact CD1-CD2 3.9Å; F335-F375 HydrophobicContact CD2-CD2 4.24Å; F335-F375 HydrophobicContact CE1-CB 4.31Å; F335-F375 HydrophobicContact CE1-CD2 4.03Å; F335-F375 HydrophobicContact CE2-CD2 4.34Å; F335-F375 HydrophobicContact CG-CD2 4.02Å; F335-F375 HydrophobicContact CZ-CD2 4.24Å; F335-M378 HydrophobicContact CE1-CB 3.78Å; F335-M378 HydrophobicContact CE1-CG 3.98Å; F335-M378 HydrophobicContact CZ-CB 3.62Å; F335-M378 HydrophobicContact CZ-CG 4.14Å
336	A	94.9	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-37	179	0	0	0	0	0	112.2	Y332 K334 Q340 N371 F374	Y332-A336 VanDerWaalsContact O-CB 3.31Å; Y332-A336 WeakPolarHBondContact O-CB 3.18Å; Y332-A336 PolarHBondContact O-N 2.84Å; K334-A336 VanDerWaalsContact C-N 3.35Å; K334-A336 PolarHBondContact O-N 3.41Å; A336-Q340 WeakPolarHBondContact O-CB 3.4Å; A336-Q340 WeakPolarHBondContact O-CG 3.42Å; A336-Q340 PolarHBondContact O-N 2.95Å; A336-Q340 PolarHBondContact O-NE2 2.91Å; A336-N371 HydrophobicContact CB-CB 3.89Å; A336-N371 WeakPolarHBondContact CB-OD1 3.41Å; A336-F374 HydrophobicContact CB-CB 3.86Å; A336-F374 HydrophobicContact CB-CD2 4.06Å; A336-F374 HydrophobicContact CB-CG 4.32Å
337	R	91.7	Very high	90.7	Very high	64 Å²	64	32.9 Å²	32.9	24%	0.242	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-46.9	173.8	-175.1	-173.9	70.6	-164	-0.2	111.1	D20 K333 K334 F335 Q340 L341	D20-R337 PolarHBondContact O-NH2 3.35Å; K333-R337 WeakPolarHBondContact O-CB 3.24Å; K333-R337 PolarHBondContact O-N 2.92Å; K334-R337 WeakPolarHBondContact O-CB 3.38Å; K334-R337 PolarHBondContact O-N 3.12Å; K334-R337 VanDerWaalsContact O-N 3.11Å; F335-R337 VanDerWaalsContact C-N 3.28Å; F335-R337 PolarHBondContact O-N 3.27Å; R337-Q340 PolarHBondContact O-N 2.79Å; R337-L341 HydrophobicContact CG-CD1 3.99Å; R337-L341 HydrophobicContact CG-CG 4.35Å; R337-L341 WeakPolarHBondContact O-CB 3.31Å; R337-L341 VanDerWaalsContact O-CG 3.24Å; R337-L341 WeakPolarHBondContact O-CG 3.46Å; R337-L341 PolarHBondContact O-N 3.19Å
338	E	89.6	Confident	91	Very high	69 Å²	69	34 Å²	34	32%	0.322	16%	0.157	S	C	.	.	H	α-helix	trans	-63.6	-42.5	179.2	-64.4	-46.5	135.1	0	0	111.7	K334 F335 Q340 L341 V342	K334-E338 WeakPolarHBondContact O-CG 3.46Å; K334-E338 PolarHBondContact O-N 3.49Å; F335-E338 PolarHBondContact O-N 3.11Å; F335-E338 VanDerWaalsContact O-N 3.12Å; E338-Q340 VanDerWaalsContact C-N 3.31Å; E338-Q340 PolarHBondContact O-N 2.9Å; E338-L341 PolarHBondContact O-N 2.89Å; E338-L341 VanDerWaalsContact O-N 3.13Å; E338-V342 WeakPolarHBondContact O-CB 3.39Å; E338-V342 WeakPolarHBondContact O-CG2 3.37Å; E338-V342 PolarHBondContact O-N 3.02Å
339	V	93.9	Very high	91.2	Very high	8 Å²	8	34 Å²	34	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-57	-45.9	172.7	172.6	0	0	0	0	111.1	F335 L341 V342 Y343 F346 S347 F374 M378	F335-V339 HydrophobicContact CD1-CG2 3.86Å; F335-V339 HydrophobicContact CE1-CG2 3.47Å; F335-V339 VanDerWaalsContact CE1-CG2 3.47Å; F335-V339 HydrophobicContact CZ-CG2 4.01Å; F335-V339 WeakPolarHBondContact O-CG2 3.41Å; F335-V339 PolarHBondContact O-N 2.96Å; V339-L341 VanDerWaalsContact C-N 3.31Å; V339-L341 PolarHBondContact O-N 2.61Å; V339-V342 PolarHBondContact O-N 3.34Å; V339-Y343 HydrophobicContact CG1-CD2 4.27Å; V339-Y343 WeakPolarHBondContact O-CA 3.49Å; V339-Y343 PolarHBondContact O-N 3.21Å; V339-F346 HydrophobicContact CG1-CD1 4.37Å; V339-F346 HydrophobicContact CG1-CE1 4.28Å; V339-S347 PolarHBondContact O-OG 2.77Å; V339-F374 HydrophobicContact CG1-CD1 3.93Å; V339-M378 HydrophobicContact CG1-CG 4.13Å; V339-M378 HydrophobicContact CG1-SD 4.3Å; V339-M378 HydrophobicContact CG2-CE 4.35Å; V339-M378 HydrophobicContact CG2-CG 3.84Å
340	Q	93.1	Very high	91.5	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-33.3	177.5	-74.4	170.9	77.5	0	0	113.7	A336 R337 E338 P344 S347 K351 F374	A336-Q340 WeakPolarHBondContact O-CB 3.4Å; A336-Q340 WeakPolarHBondContact O-CG 3.42Å; A336-Q340 PolarHBondContact O-N 2.95Å; A336-Q340 PolarHBondContact O-NE2 2.91Å; R337-Q340 PolarHBondContact O-N 2.79Å; E338-Q340 VanDerWaalsContact C-N 3.31Å; E338-Q340 PolarHBondContact O-N 2.9Å; Q340-P344 WeakPolarHBondContact O-CA 3.28Å; Q340-S347 VanDerWaalsContact CA-OG 3.31Å; Q340-S347 WeakPolarHBondContact CA-OG 3.21Å; Q340-K351 VanDerWaalsContact OE1-CE 3.24Å; Q340-F374 HydrophobicContact CG-CD2 4.34Å; Q340-F374 HydrophobicContact CG-CE1 4.41Å; Q340-F374 HydrophobicContact CG-CE2 3.81Å; Q340-F374 HydrophobicContact CG-CZ 3.86Å
341	L	87.2	Confident	91.8	Very high	46 Å²	46	35.4 Å²	35.4	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-75	-42.4	177.7	-72.4	173.9	0	0	0	111.6	R337 E338 V339 K487 R491	R337-L341 HydrophobicContact CG-CD1 3.99Å; R337-L341 HydrophobicContact CG-CG 4.35Å; R337-L341 WeakPolarHBondContact O-CB 3.31Å; R337-L341 VanDerWaalsContact O-CG 3.24Å; R337-L341 WeakPolarHBondContact O-CG 3.46Å; R337-L341 PolarHBondContact O-N 3.19Å; E338-L341 PolarHBondContact O-N 2.89Å; E338-L341 VanDerWaalsContact O-N 3.13Å; V339-L341 VanDerWaalsContact C-N 3.31Å; V339-L341 PolarHBondContact O-N 2.61Å; L341-K487 WeakPolarHBondContact O-CG 3.24Å; L341-R491 VanDerWaalsContact CD2-NH2 3.3Å
342	V	88.3	Confident	91.9	Very high	35 Å²	35	34.2 Å²	34.2	21%	0.212	16%	0.159	C	C	.	.	H	α-helix	trans	-81.8	-37.8	-175.7	179.5	0	0	0	0	111.8	E338 V339 P344	E338-V342 WeakPolarHBondContact O-CB 3.39Å; E338-V342 WeakPolarHBondContact O-CG2 3.37Å; E338-V342 PolarHBondContact O-N 3.02Å; V339-V342 PolarHBondContact O-N 3.34Å; V342-P344 VanDerWaalsContact O-CD 3.27Å; V342-P344 WeakPolarHBondContact O-CD 3.4Å
343	Y	91.5	Very high	92	Very high	32 Å²	32	34 Å²	34	13%	0.125	16%	0.159	C	C	.	.			trans	-122.2	64.9	-176.8	-46.4	-69.8	0	0	0	111.8	V339 I345 S347 M378 L388 E389	V339-Y343 HydrophobicContact CG1-CD2 4.27Å; V339-Y343 WeakPolarHBondContact O-CA 3.49Å; V339-Y343 PolarHBondContact O-N 3.21Å; Y343-I345 PolarHBondContact O-N 3.08Å; Y343-S347 VanDerWaalsContact O-CB 3.31Å; Y343-S347 WeakPolarHBondContact O-CB 3.28Å; Y343-S347 PolarHBondContact O-N 3.47Å; Y343-S347 PolarHBondContact O-OG 2.86Å; Y343-M378 HydrophobicContact CD2-CE 4.29Å; Y343-M378 HydrophobicContact CE2-CE 3.79Å; Y343-L388 HydrophobicContact CD1-CB 3.64Å; Y343-L388 HydrophobicContact CD1-CD1 4.19Å; Y343-L388 HydrophobicContact CD1-CG 4.47Å; Y343-L388 HydrophobicContact CD2-CD1 4.09Å; Y343-L388 HydrophobicContact CE1-CB 3.59Å; Y343-L388 HydrophobicContact CE2-CD1 4.45Å; Y343-L388 HydrophobicContact CG-CB 4.26Å; Y343-L388 HydrophobicContact CG-CD1 3.94Å; Y343-E389 HydrophobicContact CE1-CG 4.42Å; Y343-E389 WeakPolarHBondContact CE1-OE1 3.4Å; Y343-E389 PolarHBondContact OH-OE1 3Å; Y343-E389 VanDerWaalsContact OH-OE1 3.13Å
344	P	90	Very high	92.1	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.104	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-33.7	-172.8	25.7	-35.4	0	0	0	113.6	Q340 V342 T348 A490	Q340-P344 WeakPolarHBondContact O-CA 3.28Å; V342-P344 VanDerWaalsContact O-CD 3.27Å; V342-P344 WeakPolarHBondContact O-CD 3.4Å; P344-T348 WeakPolarHBondContact O-CB 3.25Å; P344-T348 PolarHBondContact O-N 2.89Å; P344-T348 PolarHBondContact O-OG1 3.17Å; P344-A490 HydrophobicContact CG-CB 3.54Å
345	I	89.8	Confident	92.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-54.6	179.1	-60.4	176.4	0	0	0	110	Y343 S347 T348 L349 L494 L508 Y509	Y343-I345 PolarHBondContact O-N 3.08Å; I345-S347 VanDerWaalsContact C-N 3.25Å; I345-S347 PolarHBondContact O-N 2.7Å; I345-T348 WeakPolarHBondContact O-CB 3.32Å; I345-T348 PolarHBondContact O-N 2.87Å; I345-L349 HydrophobicContact CG2-CD1 4.47Å; I345-L349 PolarHBondContact O-N 3.19Å; I345-L494 HydrophobicContact CG1-CD1 4.16Å; I345-L508 WeakPolarHBondContact CD1-O 3.22Å; I345-L508 HydrophobicContact CG2-CB 4.23Å; I345-Y509 HydrophobicContact CB-CE1 3.92Å; I345-Y509 HydrophobicContact CD1-CD1 3.99Å; I345-Y509 HydrophobicContact CD1-CE1 3.95Å; I345-Y509 HydrophobicContact CG1-CE1 4.49Å; I345-Y509 HydrophobicContact CG2-CE1 3.99Å; I345-Y509 HydrophobicContact CG2-CE2 3.86Å
346	F	93.9	Very high	92	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-51.7	-48	173.3	168	-108.7	0	0	0	111.2	V291 I295 V339 T348 L349 V350 F374 M377 M378 L384 L388 Y509	V291-F346 HydrophobicContact CG1-CD2 4.3Å; V291-F346 HydrophobicContact CG1-CE2 3.82Å; I295-F346 HydrophobicContact CD1-CD2 4.29Å; I295-F346 HydrophobicContact CD1-CE2 4.36Å; I295-F346 HydrophobicContact CG2-CD2 3.98Å; V339-F346 HydrophobicContact CG1-CD1 4.37Å; V339-F346 HydrophobicContact CG1-CE1 4.28Å; F346-T348 PolarHBondContact O-N 3.46Å; F346-L349 WeakPolarHBondContact O-CB 3.1Å; F346-L349 PolarHBondContact O-N 3.04Å; F346-L349 VanDerWaalsContact O-N 3.14Å; F346-V350 HydrophobicContact CD1-CG2 4.44Å; F346-V350 HydrophobicContact CD2-CG2 4.15Å; F346-V350 HydrophobicContact CE1-CG2 4.08Å; F346-V350 HydrophobicContact CE2-CG2 3.77Å; F346-V350 HydrophobicContact CG-CG2 4.49Å; F346-V350 HydrophobicContact CZ-CG2 3.74Å; F346-V350 VanDerWaalsContact O-CG2 3.27Å; F346-V350 WeakPolarHBondContact O-CG2 3.37Å; F346-V350 PolarHBondContact O-N 2.8Å; F346-F374 HydrophobicContact CE1-CD1 4.45Å; F346-M377 HydrophobicContact CE1-CE 3.93Å; F346-M377 HydrophobicContact CE2-CE 4.48Å; F346-M377 HydrophobicContact CZ-CB 4.34Å; F346-M377 HydrophobicContact CZ-CE 3.53Å; F346-M377 HydrophobicContact CZ-SD 4.01Å; F346-M378 HydrophobicContact CE1-SD 4.26Å; F346-L384 HydrophobicContact CE1-CD2 4.49Å; F346-L384 HydrophobicContact CE2-CD1 4.42Å; F346-L384 HydrophobicContact CE2-CD2 4.18Å; F346-L384 HydrophobicContact CZ-CD2 3.79Å; F346-L388 HydrophobicContact CB-CD1 4.37Å; F346-L388 HydrophobicContact CB-CD2 3.86Å; F346-L388 HydrophobicContact CD1-CD1 3.89Å; F346-L388 HydrophobicContact CD2-CD1 4.41Å; F346-L388 HydrophobicContact CD2-CD2 4.13Å; F346-L388 HydrophobicContact CE1-CD1 4.25Å; F346-L388 HydrophobicContact CG-CD1 3.97Å; F346-L388 HydrophobicContact CG-CD2 4Å; F346-Y509 PolarHBondContact N-OH 3.25Å
347	S	95	Very high	91.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-29.4	-178.6	-60.1	0	0	0	0	113.9	V339 Q340 Y343 I345 K351	V339-S347 PolarHBondContact O-OG 2.77Å; Q340-S347 VanDerWaalsContact CA-OG 3.31Å; Q340-S347 WeakPolarHBondContact CA-OG 3.21Å; Y343-S347 VanDerWaalsContact O-CB 3.31Å; Y343-S347 WeakPolarHBondContact O-CB 3.28Å; Y343-S347 PolarHBondContact O-N 3.47Å; Y343-S347 PolarHBondContact O-OG 2.86Å; I345-S347 VanDerWaalsContact C-N 3.25Å; I345-S347 PolarHBondContact O-N 2.7Å; S347-K351 WeakPolarHBondContact O-CG 3.32Å; S347-K351 PolarHBondContact O-N 2.91Å
348	T	92.9	Very high	91.4	Very high	31 Å²	31	29.3 Å²	29.3	19%	0.19	15%	0.145	C	C	.	.	H	α-helix	trans	-73.3	-43	173.9	-59	0	0	0	0	110.8	P344 I345 F346 V350 K351 I352 L494 I500	P344-T348 WeakPolarHBondContact O-CB 3.25Å; P344-T348 PolarHBondContact O-N 2.89Å; P344-T348 PolarHBondContact O-OG1 3.17Å; I345-T348 WeakPolarHBondContact O-CB 3.32Å; I345-T348 PolarHBondContact O-N 2.87Å; F346-T348 PolarHBondContact O-N 3.46Å; T348-V350 VanDerWaalsContact C-N 3.33Å; T348-V350 PolarHBondContact O-N 3.24Å; T348-K351 PolarHBondContact O-N 2.96Å; T348-I352 HydrophobicContact CG2-CD1 3.62Å; T348-I352 HydrophobicContact CG2-CG1 4.22Å; T348-I352 WeakPolarHBondContact O-CB 3.47Å; T348-I352 VanDerWaalsContact O-CG1 3.24Å; T348-I352 WeakPolarHBondContact O-CG1 3.47Å; T348-I352 PolarHBondContact O-N 2.78Å; T348-L494 HydrophobicContact CG2-CD1 4.14Å; T348-L494 HydrophobicContact CG2-CD2 4.41Å; T348-L494 WeakPolarHBondContact OG1-CD2 3.46Å; T348-I500 HydrophobicContact CG2-CD1 3.53Å
349	L	93.9	Very high	91	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-48.2	174	-72	169.9	0	0	0	111.3	I295 I345 F346 K351 I352 H353 I500 L508	I295-L349 HydrophobicContact CG2-CD1 3.7Å; I345-L349 HydrophobicContact CG2-CD1 4.47Å; I345-L349 PolarHBondContact O-N 3.19Å; F346-L349 WeakPolarHBondContact O-CB 3.1Å; F346-L349 PolarHBondContact O-N 3.04Å; F346-L349 VanDerWaalsContact O-N 3.14Å; L349-K351 PolarHBondContact O-N 2.79Å; L349-I352 PolarHBondContact O-N 3.42Å; L349-H353 WeakPolarHBondContact O-CB 3.44Å; L349-H353 PolarHBondContact O-CD2 3.29Å; L349-H353 PolarHBondContact O-N 2.9Å; L349-I500 HydrophobicContact CD2-CG2 3.52Å; L349-I500 HydrophobicContact CG-CG2 4.29Å; L349-L508 HydrophobicContact CD1-CD1 4.14Å; L349-L508 HydrophobicContact CD2-CD1 4.02Å; L349-L508 HydrophobicContact CG-CD1 4.49Å
350	V	95.7	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-54.6	177.5	169.4	0	0	0	0	110.7	F287 V291 F346 T348 I352 H353 L354 I373 F374 M377	F287-V350 HydrophobicContact CE2-CG1 4.32Å; F287-V350 HydrophobicContact CZ-CG1 4.31Å; V291-V350 HydrophobicContact CG1-CG2 4.23Å; V291-V350 HydrophobicContact CG2-CG2 4.37Å; F346-V350 HydrophobicContact CD1-CG2 4.44Å; F346-V350 HydrophobicContact CD2-CG2 4.15Å; F346-V350 HydrophobicContact CE1-CG2 4.08Å; F346-V350 HydrophobicContact CE2-CG2 3.77Å; F346-V350 HydrophobicContact CG-CG2 4.49Å; F346-V350 HydrophobicContact CZ-CG2 3.74Å; F346-V350 VanDerWaalsContact O-CG2 3.27Å; F346-V350 WeakPolarHBondContact O-CG2 3.37Å; F346-V350 PolarHBondContact O-N 2.8Å; T348-V350 VanDerWaalsContact C-N 3.33Å; T348-V350 PolarHBondContact O-N 3.24Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 3.13Å; V350-H353 PolarHBondContact O-N 3.49Å; V350-L354 HydrophobicContact CG1-CD1 3.86Å; V350-L354 HydrophobicContact CG1-CG 4.47Å; V350-L354 WeakPolarHBondContact O-CB 3.23Å; V350-L354 VanDerWaalsContact O-CG 3.29Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.26Å; V350-I373 HydrophobicContact CG1-CG2 4.34Å; V350-F374 HydrophobicContact CB-CE1 3.94Å; V350-F374 HydrophobicContact CB-CZ 4.24Å; V350-F374 HydrophobicContact CG1-CD1 4.47Å; V350-F374 HydrophobicContact CG1-CE1 3.82Å; V350-F374 HydrophobicContact CG1-CZ 4Å; V350-F374 HydrophobicContact CG2-CE1 4.2Å; V350-M377 HydrophobicContact CB-CE 4.09Å; V350-M377 HydrophobicContact CG1-CE 3.6Å; V350-M377 HydrophobicContact CG1-SD 4.23Å; V350-M377 HydrophobicContact CG2-CE 3.36Å; V350-M377 HydrophobicContact CG2-SD 3.76Å
351	K	94.4	Very high	88.7	Confident	81 Å²	81	41.5 Å²	41.5	35%	0.352	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-43.9	-179	-73.5	176.3	-178.7	-177.4	0	112.3	Q340 S347 T348 L349 Q355 I370 F374	Q340-K351 VanDerWaalsContact OE1-CE 3.24Å; S347-K351 WeakPolarHBondContact O-CG 3.32Å; S347-K351 PolarHBondContact O-N 2.91Å; T348-K351 PolarHBondContact O-N 2.96Å; L349-K351 PolarHBondContact O-N 2.79Å; K351-Q355 WeakPolarHBondContact O-CB 3.32Å; K351-Q355 VanDerWaalsContact O-CG 3.24Å; K351-Q355 WeakPolarHBondContact O-CG 3.31Å; K351-Q355 PolarHBondContact O-N 3.46Å; K351-I370 HydrophobicContact CG-CD1 4.27Å; K351-F374 HydrophobicContact CG-CZ 4.31Å
352	I	92	Very high	87.9	Confident	30 Å²	30	43.5 Å²	43.5	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-46.3	-179.4	-75	175.8	0	0	0	111	T348 L349 V350 Q355 D356 I500 K501	T348-I352 HydrophobicContact CG2-CD1 3.62Å; T348-I352 HydrophobicContact CG2-CG1 4.22Å; T348-I352 WeakPolarHBondContact O-CB 3.47Å; T348-I352 VanDerWaalsContact O-CG1 3.24Å; T348-I352 WeakPolarHBondContact O-CG1 3.47Å; T348-I352 PolarHBondContact O-N 2.78Å; L349-I352 PolarHBondContact O-N 3.42Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 3.13Å; I352-Q355 PolarHBondContact O-N 2.85Å; I352-D356 PolarHBondContact O-N 3.47Å; I352-I500 HydrophobicContact CD1-CB 4.33Å; I352-I500 HydrophobicContact CD1-CD1 4.41Å; I352-K501 HydrophobicContact CG2-CD 4.1Å; I352-K501 HydrophobicContact CG2-CG 3.79Å
353	H	93	Very high	87	Confident	18 Å²	18	42.8 Å²	42.8	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-74.4	-30.9	-177.5	-66.6	-50.5	0	0	0	112.5	F287 N290 V291 L349 V350 D356 I357	F287-H353 HydrophobicContact CD2-CB 3.73Å; F287-H353 HydrophobicContact CE2-CB 4.29Å; N290-H353 HydrophobicContact CB-CB 4.41Å; V291-H353 HydrophobicContact CG2-CB 4.19Å; L349-H353 WeakPolarHBondContact O-CB 3.44Å; L349-H353 PolarHBondContact O-CD2 3.29Å; L349-H353 PolarHBondContact O-N 2.9Å; V350-H353 PolarHBondContact O-N 3.49Å; H353-D356 PolarHBondContact O-N 3.11Å; H353-I357 PolarHBondContact O-N 3.21Å
354	L	92.9	Very high	86.1	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-47.3	167.8	-72.6	172.4	0	0	0	111.4	F287 M311 V350 D356 I357 E358 T366 I370 I373	F287-L354 HydrophobicContact CD1-CD2 4.25Å; F287-L354 HydrophobicContact CD2-CD2 3.82Å; F287-L354 HydrophobicContact CD2-CG 3.96Å; F287-L354 HydrophobicContact CE1-CD2 4.12Å; F287-L354 HydrophobicContact CE2-CD1 4.47Å; F287-L354 HydrophobicContact CE2-CD2 3.69Å; F287-L354 HydrophobicContact CE2-CG 3.58Å; F287-L354 HydrophobicContact CG-CD2 4.11Å; F287-L354 HydrophobicContact CZ-CD2 3.84Å; F287-L354 HydrophobicContact CZ-CG 4.05Å; M311-L354 HydrophobicContact CE-CD2 4.12Å; V350-L354 HydrophobicContact CG1-CD1 3.86Å; V350-L354 HydrophobicContact CG1-CG 4.47Å; V350-L354 WeakPolarHBondContact O-CB 3.23Å; V350-L354 VanDerWaalsContact O-CG 3.29Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.26Å; L354-D356 PolarHBondContact O-N 3.46Å; L354-I357 HydrophobicContact CD2-CD1 4.25Å; L354-I357 WeakPolarHBondContact O-CG1 3.34Å; L354-I357 PolarHBondContact O-N 3.35Å; L354-E358 WeakPolarHBondContact O-CG 3.48Å; L354-E358 PolarHBondContact O-N 3.15Å; L354-T366 HydrophobicContact CD2-CG2 3.95Å; L354-I370 HydrophobicContact CD1-CD1 3.66Å; L354-I373 HydrophobicContact CD1-CD1 3.73Å; L354-I373 HydrophobicContact CD1-CG2 4.14Å; L354-I373 HydrophobicContact CD2-CD1 4.01Å
355	Q	89.8	Confident	85.8	Confident	105 Å²	105	45.1 Å²	45.1	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-32.1	175.9	-74.2	173.2	-10.3	0	0	112.5	K351 I352 E358 K359	K351-Q355 WeakPolarHBondContact O-CB 3.32Å; K351-Q355 VanDerWaalsContact O-CG 3.24Å; K351-Q355 WeakPolarHBondContact O-CG 3.31Å; K351-Q355 PolarHBondContact O-N 3.46Å; I352-Q355 PolarHBondContact O-N 2.85Å; Q355-E358 PolarHBondContact O-N 2.96Å; Q355-K359 WeakPolarHBondContact O-CG 3.33Å; Q355-K359 PolarHBondContact O-N 3.1Å
356	D	88.7	Confident	85.6	Confident	47 Å²	47	45 Å²	45	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-70.3	-36.7	179.3	-76.4	-16.7	0	0	0	113.6	I352 H353 L354 E358 K359 K501	I352-D356 PolarHBondContact O-N 3.47Å; H353-D356 PolarHBondContact O-N 3.11Å; L354-D356 PolarHBondContact O-N 3.46Å; D356-E358 PolarHBondContact O-N 2.69Å; D356-K359 IonicContact OD1-NZ 2.86Å; D356-K359 PolarHBondContact OD1-NZ 3.41Å; D356-K501 IonicContact OD1-NZ 3.37Å; D356-K501 PolarHBondContact OD1-NZ 3.34Å; D356-K501 VanDerWaalsContact OD2-CE 3.22Å; D356-K501 WeakPolarHBondContact OD2-CE 3.32Å; D356-K501 IonicContact OD2-NZ 2.7Å; D356-K501 PolarHBondContact OD2-NZ 3.21Å
357	I	89	Confident	85.2	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-73.6	-19.9	175.9	63.7	164.8	0	0	0	112.3	K283 F287 H353 L354	K283-I357 HydrophobicContact CB-CB 4.08Å; K283-I357 HydrophobicContact CB-CG2 4.31Å; K283-I357 HydrophobicContact CD-CB 4.4Å; K283-I357 WeakPolarHBondContact CD-O 3.45Å; K283-I357 WeakPolarHBondContact CE-O 3.28Å; K283-I357 HydrophobicContact CG-CB 4.28Å; K283-I357 PolarHBondContact NZ-O 3.15Å; K283-I357 WeakPolarHBondContact O-CG2 2.83Å; F287-I357 HydrophobicContact CB-CD1 4.08Å; F287-I357 HydrophobicContact CB-CG2 4Å; H353-I357 PolarHBondContact O-N 3.21Å; L354-I357 HydrophobicContact CD2-CD1 4.25Å; L354-I357 WeakPolarHBondContact O-CG1 3.34Å; L354-I357 PolarHBondContact O-N 3.35Å
358	E	85.4	Confident	84.8	Confident	16 Å²	16	52.3 Å²	52.3	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-84.7	-32.4	175.3	-71	-67.1	153.8	0	0	113.4	L354 Q355 D356 K360 S361 P362 E363 L364 T366	L354-E358 WeakPolarHBondContact O-CG 3.48Å; L354-E358 PolarHBondContact O-N 3.15Å; Q355-E358 PolarHBondContact O-N 2.96Å; D356-E358 PolarHBondContact O-N 2.69Å; E358-K360 VanDerWaalsContact C-N 3.33Å; E358-K360 PolarHBondContact O-N 3.45Å; E358-K360 VanDerWaalsContact O-N 3.1Å; E358-S361 CarbonylContact O-C 3.45Å; E358-S361 PolarHBondContact O-N 3.3Å; E358-P362 VanDerWaalsContact O-CA 3.28Å; E358-P362 WeakPolarHBondContact O-CA 3.38Å; E358-P362 WeakPolarHBondContact OE2-CA 3.44Å; E358-E363 PolarHBondContact OE2-N 2.92Å; E358-L364 PolarHBondContact OE2-N 2.91Å; E358-T366 HydrophobicContact CG-CG2 4.22Å; E358-T366 WeakPolarHBondContact CG-OG1 3.17Å; E358-T366 WeakPolarHBondContact OE1-CG2 3.42Å
359	K	80	Confident	84.7	Confident	132 Å²	132	52.2 Å²	52.2	57%	0.574	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-39.8	-171.2	-91.1	171.5	-171.7	163.6	0	116.6	Q355 D356	Q355-K359 WeakPolarHBondContact O-CG 3.33Å; Q355-K359 PolarHBondContact O-N 3.1Å; D356-K359 IonicContact OD1-NZ 2.86Å; D356-K359 PolarHBondContact OD1-NZ 3.41Å
360	K	67.7	Low	84.7	Confident	206 Å²	206	53.7 Å²	53.7	90%	0.896	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-27.3	-173.5	-72.1	-175.2	178.9	178.3	0	113.2	E358	E358-K360 VanDerWaalsContact C-N 3.33Å; E358-K360 PolarHBondContact O-N 3.45Å; E358-K360 VanDerWaalsContact O-N 3.1Å
361	S	71.6	Confident	84.7	Confident	45 Å²	45	54.9 Å²	54.9	32%	0.315	27%	0.272	S	S	.	.	S	Bend	trans	-157.2	86.8	-178.5	-179.2	0	0	0	0	106	K283 E358 E363	K283-S361 PolarHBondContact NZ-O 3.33Å; K283-S361 VanDerWaalsContact NZ-O 3.13Å; E358-S361 CarbonylContact O-C 3.45Å; E358-S361 PolarHBondContact O-N 3.3Å; S361-E363 PolarHBondContact O-N 3.04Å; S361-E363 VanDerWaalsContact O-N 3.1Å
362	P	70	Confident	84.7	Confident	87 Å²	87	52 Å²	52	57%	0.565	26%	0.261	S	S	*	.			trans	-62.8	113.3	-177.1	-20.2	31.7	0	0	0	109.2	E358 L364	E358-P362 VanDerWaalsContact O-CA 3.28Å; E358-P362 WeakPolarHBondContact O-CA 3.38Å; E358-P362 WeakPolarHBondContact OE2-CA 3.44Å; P362-L364 HydrophobicContact CB-CD2 3.98Å; P362-L364 HydrophobicContact CB-CG 4.18Å
363	E	70.2	Confident	84.9	Confident	20 Å²	20	50.5 Å²	50.5	9%	0.093	25%	0.253	C	S	.	.			trans	-102.9	-7.4	174.5	-73.8	157.8	174.1	0	0	110.4	R279 I280 K283 Y315 Y318 E358 S361 W365	R279-E363 IonicContact CZ-OE1 2.89Å; R279-E363 IonicContact NE-OE1 3.57Å; R279-E363 PolarHBondContact NE-OE1 3.06Å; R279-E363 IonicContact NH2-OE1 3.64Å; R279-E363 PolarHBondContact NH2-OE1 3.04Å; I280-E363 VanDerWaalsContact CD1-OE1 3.29Å; I280-E363 WeakPolarHBondContact CD1-OE1 3.36Å; I280-E363 WeakPolarHBondContact CD1-OE2 3.44Å; K283-E363 VanDerWaalsContact NZ-CD 3.28Å; K283-E363 IonicContact NZ-OE1 2.61Å; K283-E363 PolarHBondContact NZ-OE1 2.9Å; K283-E363 IonicContact NZ-OE2 3.16Å; K283-E363 PolarHBondContact NZ-OE2 3.04Å; Y315-E363 HydrophobicContact CE2-CB 4Å; Y315-E363 HydrophobicContact CE2-CG 3.98Å; Y318-E363 WeakPolarHBondContact CD1-O 3.46Å; Y318-E363 WeakPolarHBondContact CE1-O 3.36Å; E358-E363 PolarHBondContact OE2-N 2.92Å; S361-E363 PolarHBondContact O-N 3.04Å; S361-E363 VanDerWaalsContact O-N 3.1Å; E363-W365 PolarHBondContact O-N 2.76Å
364	L	72	Confident	85.1	Confident	94 Å²	94	49.7 Å²	49.7	49%	0.492	25%	0.249	S	C	.	.			trans	58.2	6.3	163	-59	179.7	0	0	0	117.4	E358 P362	E358-L364 PolarHBondContact OE2-N 2.91Å; P362-L364 HydrophobicContact CB-CD2 3.98Å; P362-L364 HydrophobicContact CB-CG 4.18Å
365	W	83.5	Confident	85.3	Confident	4 Å²	4	52 Å²	52	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-77.1	-29.3	178.8	68.6	-87.2	0	0	0	112.4	I284 M311 W314 Y315 Y318 E363 D367 I368 R369 I373	I284-W365 HydrophobicContact CD1-CZ2 4.46Å; I284-W365 HydrophobicContact CG1-CZ2 4.42Å; M311-W365 HydrophobicContact CB-CH2 3.89Å; M311-W365 HydrophobicContact CE-CH2 3.55Å; M311-W365 HydrophobicContact CE-CZ2 4.34Å; M311-W365 HydrophobicContact CE-CZ3 4.39Å; M311-W365 HydrophobicContact CG-CH2 4.19Å; W314-W365 HydrophobicContact CB-CE3 4.21Å; W314-W365 HydrophobicContact CB-CZ3 4.24Å; W314-W365 HydrophobicContact CE3-CZ3 4.03Å; Y315-W365 AromaticContact CD2-CD1 3.64Å; Y315-W365 HydrophobicContact CD2-CG 4.32Å; Y315-W365 AromaticContact CD2-NE1 3.7Å; Y318-W365 HydrophobicContact CD1-CB 3.83Å; Y318-W365 HydrophobicContact CD2-CB 4.01Å; Y318-W365 HydrophobicContact CE1-CB 4.45Å; Y318-W365 HydrophobicContact CG-CB 3.57Å; E363-W365 PolarHBondContact O-N 2.76Å; W365-D367 PolarHBondContact O-N 3.44Å; W365-I368 PolarHBondContact O-N 3.3Å; W365-R369 HydrophobicContact CE3-CB 4.39Å; W365-R369 HydrophobicContact CE3-CG 4.29Å; W365-R369 WeakPolarHBondContact O-CB 3.23Å; W365-R369 WeakPolarHBondContact O-CG 3.44Å; W365-R369 PolarHBondContact O-N 3.26Å; W365-R369 VanDerWaalsContact O-N 3.11Å; W365-I373 HydrophobicContact CZ3-CD1 4.32Å
366	T	85.5	Confident	85.7	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-38.5	-175.3	58.8	0	0	0	0	112.8	L354 E358 I368 R369 I370	L354-T366 HydrophobicContact CD2-CG2 3.95Å; E358-T366 HydrophobicContact CG-CG2 4.22Å; E358-T366 WeakPolarHBondContact CG-OG1 3.17Å; E358-T366 WeakPolarHBondContact OE1-CG2 3.42Å; T366-I368 VanDerWaalsContact C-N 3.35Å; T366-R369 CarbonylContact O-C 3.17Å; T366-R369 PolarHBondContact O-N 3.07Å; T366-I370 WeakPolarHBondContact O-CA 3.26Å; T366-I370 PolarHBondContact O-N 2.83Å
367	D	85.6	Confident	86.1	Confident	107 Å²	107	45 Å²	45	57%	0.572	23%	0.226	S	C	*	.	H	α-helix	trans	-69	-35.7	-179.2	-78.8	-10.1	0	0	0	111.6	W365 R369 I370	W365-D367 PolarHBondContact O-N 3.44Å; D367-R369 VanDerWaalsContact C-N 3.32Å; D367-I370 WeakPolarHBondContact O-CG2 3.25Å
368	I	86.9	Confident	86.5	Confident	50 Å²	50	45.4 Å²	45.4	26%	0.256	23%	0.227	S	C	.	.	H	α-helix	trans	-70.1	-33.6	176.7	-64.4	166.8	0	0	0	110.7	Y318 R324 W365 T366	Y318-I368 HydrophobicContact CD2-CD1 4.06Å; Y318-I368 HydrophobicContact CE2-CD1 3.39Å; R324-I368 HydrophobicContact CB-CG2 4.25Å; R324-I368 HydrophobicContact CG-CG2 4.21Å; W365-I368 PolarHBondContact O-N 3.3Å; T366-I368 VanDerWaalsContact C-N 3.35Å
369	R	91.7	Very high	87	Confident	28 Å²	28	48.8 Å²	48.8	11%	0.106	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.4	-177.1	-66.1	-71.1	-169.4	-166.4	-3	114.2	W314 E317 Q325 W365 T366 D367 N371 N372 I373	W314-R369 HydrophobicContact CB-CG 4.35Å; W314-R369 HydrophobicContact CD2-CG 4.37Å; W314-R369 HydrophobicContact CE3-CB 4.38Å; W314-R369 HydrophobicContact CE3-CG 4.49Å; W314-R369 HydrophobicContact CG-CG 4.34Å; E317-R369 IonicContact OE1-NH2 3.15Å; E317-R369 PolarHBondContact OE1-NH2 3.04Å; E317-R369 IonicContact OE2-CZ 3.75Å; E317-R369 IonicContact OE2-NH2 2.8Å; E317-R369 PolarHBondContact OE2-NH2 2.77Å; Q325-R369 VanDerWaalsContact NE2-NH2 3.17Å; Q325-R369 VanDerWaalsContact OE1-NH1 3.09Å; W365-R369 HydrophobicContact CE3-CB 4.39Å; W365-R369 HydrophobicContact CE3-CG 4.29Å; W365-R369 WeakPolarHBondContact O-CB 3.23Å; W365-R369 WeakPolarHBondContact O-CG 3.44Å; W365-R369 PolarHBondContact O-N 3.26Å; W365-R369 VanDerWaalsContact O-N 3.11Å; T366-R369 CarbonylContact O-C 3.17Å; T366-R369 PolarHBondContact O-N 3.07Å; D367-R369 VanDerWaalsContact C-N 3.32Å; R369-N371 VanDerWaalsContact C-N 3.25Å; R369-N371 PolarHBondContact O-N 3.43Å; R369-N371 VanDerWaalsContact O-N 3.1Å; R369-N372 HydrophobicContact CB-CB 4.43Å; R369-N372 CarbonylContact O-C 3.48Å; R369-N372 WeakPolarHBondContact O-CA 3.46Å; R369-N372 VanDerWaalsContact O-CB 3.3Å; R369-N372 WeakPolarHBondContact O-CB 3.41Å; R369-N372 PolarHBondContact O-N 3.23Å; R369-I373 HydrophobicContact CB-CD1 4.36Å; R369-I373 HydrophobicContact CB-CG1 4.41Å; R369-I373 WeakPolarHBondContact O-CG1 3.44Å; R369-I373 PolarHBondContact O-N 3.39Å
370	I	93.8	Very high	87.8	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.185	22%	0.222	C	C	.	.	H	α-helix	trans	-54.7	-39	-172	-172	58.2	0	0	0	113.7	K351 L354 T366 D367 I373 F374	K351-I370 HydrophobicContact CG-CD1 4.27Å; L354-I370 HydrophobicContact CD1-CD1 3.66Å; T366-I370 WeakPolarHBondContact O-CA 3.26Å; T366-I370 PolarHBondContact O-N 2.83Å; D367-I370 WeakPolarHBondContact O-CG2 3.25Å; I370-I373 PolarHBondContact O-N 2.99Å; I370-F374 HydrophobicContact CD1-CD2 4.19Å; I370-F374 HydrophobicContact CD1-CE2 3.73Å; I370-F374 HydrophobicContact CD1-CZ 4.39Å; I370-F374 HydrophobicContact CG1-CD2 4.1Å; I370-F374 HydrophobicContact CG1-CE2 3.78Å; I370-F374 VanDerWaalsContact O-CD2 3.25Å; I370-F374 WeakPolarHBondContact O-CD2 3.38Å; I370-F374 PolarHBondContact O-N 3.5Å; I370-F374 VanDerWaalsContact O-N 3.13Å
371	N	94.8	Very high	89.2	Confident	24 Å²	24	34.4 Å²	34.4	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-39.8	177.3	-66.5	-23.2	0	0	0	111.6	D330 A336 R369 I373 F374 F375	D330-N371 PolarHBondContact OD2-ND2 2.86Å; A336-N371 HydrophobicContact CB-CB 3.89Å; A336-N371 WeakPolarHBondContact CB-OD1 3.41Å; R369-N371 VanDerWaalsContact C-N 3.25Å; R369-N371 PolarHBondContact O-N 3.43Å; R369-N371 VanDerWaalsContact O-N 3.1Å; N371-I373 VanDerWaalsContact C-N 3.35Å; N371-F374 PolarHBondContact O-N 2.92Å; N371-F375 PolarHBondContact O-N 2.8Å; N371-F375 VanDerWaalsContact O-N 3.08Å
372	N	94.7	Very high	90.4	Very high	20 Å²	20	35 Å²	35	11%	0.107	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-40	174.1	-57.7	64.4	0	0	0	111.3	W314 Y332 R369 F375 L376	W314-N372 HydrophobicContact CH2-CB 3.52Å; W314-N372 HydrophobicContact CZ2-CB 3.63Å; W314-N372 HydrophobicContact CZ3-CB 4.17Å; Y332-N372 HydrophobicContact CD2-CB 4.45Å; Y332-N372 WeakPolarHBondContact CD2-ND2 3.44Å; Y332-N372 WeakPolarHBondContact CE2-ND2 3Å; R369-N372 HydrophobicContact CB-CB 4.43Å; R369-N372 CarbonylContact O-C 3.48Å; R369-N372 WeakPolarHBondContact O-CA 3.46Å; R369-N372 VanDerWaalsContact O-CB 3.3Å; R369-N372 WeakPolarHBondContact O-CB 3.41Å; R369-N372 PolarHBondContact O-N 3.23Å; N372-F375 PolarHBondContact O-N 3.3Å; N372-L376 VanDerWaalsContact O-CB 3.27Å; N372-L376 WeakPolarHBondContact O-CB 3.32Å; N372-L376 PolarHBondContact O-N 2.98Å
373	I	96.6	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-44.2	178.8	-65.7	165.6	0	0	0	110.7	F287 W314 V350 L354 W365 R369 I370 N371 F375 L376 M377	F287-I373 HydrophobicContact CZ-CG2 4.39Å; W314-I373 HydrophobicContact CE3-CG1 4.42Å; W314-I373 HydrophobicContact CZ3-CG1 3.78Å; V350-I373 HydrophobicContact CG1-CG2 4.34Å; L354-I373 HydrophobicContact CD1-CD1 3.73Å; L354-I373 HydrophobicContact CD1-CG2 4.14Å; L354-I373 HydrophobicContact CD2-CD1 4.01Å; W365-I373 HydrophobicContact CZ3-CD1 4.32Å; R369-I373 HydrophobicContact CB-CD1 4.36Å; R369-I373 HydrophobicContact CB-CG1 4.41Å; R369-I373 WeakPolarHBondContact O-CG1 3.44Å; R369-I373 PolarHBondContact O-N 3.39Å; I370-I373 PolarHBondContact O-N 2.99Å; N371-I373 VanDerWaalsContact C-N 3.35Å; I373-F375 VanDerWaalsContact C-N 3.32Å; I373-F375 PolarHBondContact O-N 3.36Å; I373-L376 PolarHBondContact O-N 2.94Å; I373-M377 HydrophobicContact CG2-CE 4.09Å; I373-M377 HydrophobicContact CG2-CG 4.41Å; I373-M377 HydrophobicContact CG2-SD 4.24Å; I373-M377 WeakPolarHBondContact O-CG 3.48Å; I373-M377 PolarHBondContact O-N 3.17Å
374	F	97.7	Very high	93	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-41.9	174.3	-81	-58	0	0	0	112.7	A336 V339 Q340 F346 V350 K351 I370 N371 M377 M378	A336-F374 HydrophobicContact CB-CB 3.86Å; A336-F374 HydrophobicContact CB-CD2 4.06Å; A336-F374 HydrophobicContact CB-CG 4.32Å; V339-F374 HydrophobicContact CG1-CD1 3.93Å; Q340-F374 HydrophobicContact CG-CD2 4.34Å; Q340-F374 HydrophobicContact CG-CE1 4.41Å; Q340-F374 HydrophobicContact CG-CE2 3.81Å; Q340-F374 HydrophobicContact CG-CZ 3.86Å; F346-F374 HydrophobicContact CE1-CD1 4.45Å; V350-F374 HydrophobicContact CB-CE1 3.94Å; V350-F374 HydrophobicContact CB-CZ 4.24Å; V350-F374 HydrophobicContact CG1-CD1 4.47Å; V350-F374 HydrophobicContact CG1-CE1 3.82Å; V350-F374 HydrophobicContact CG1-CZ 4Å; V350-F374 HydrophobicContact CG2-CE1 4.2Å; K351-F374 HydrophobicContact CG-CZ 4.31Å; I370-F374 HydrophobicContact CD1-CD2 4.19Å; I370-F374 HydrophobicContact CD1-CE2 3.73Å; I370-F374 HydrophobicContact CD1-CZ 4.39Å; I370-F374 HydrophobicContact CG1-CD2 4.1Å; I370-F374 HydrophobicContact CG1-CE2 3.78Å; I370-F374 VanDerWaalsContact O-CD2 3.25Å; I370-F374 WeakPolarHBondContact O-CD2 3.38Å; I370-F374 PolarHBondContact O-N 3.5Å; I370-F374 VanDerWaalsContact O-N 3.13Å; N371-F374 PolarHBondContact O-N 2.92Å; F374-M377 HydrophobicContact CD1-CE 3.87Å; F374-M377 HydrophobicContact CE1-CE 4.25Å; F374-M378 WeakPolarHBondContact O-CB 3.39Å; F374-M378 VanDerWaalsContact O-CG 3.26Å; F374-M378 WeakPolarHBondContact O-CG 3.45Å; F374-M378 PolarHBondContact O-N 2.95Å
375	F	96.3	Very high	94.1	Very high	52 Å²	52	33.4 Å²	33.4	23%	0.228	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-49.8	175.2	179.8	-102.5	0	0	0	111.7	Y332 F335 N371 N372 I373 M377 M378 K379	Y332-F375 HydrophobicContact CD1-CB 3.76Å; Y332-F375 AromaticContact CD1-CD1 3.69Å; Y332-F375 HydrophobicContact CD1-CD1 3.69Å; Y332-F375 AromaticContact CD1-CD2 3.67Å; Y332-F375 HydrophobicContact CD1-CD2 3.67Å; Y332-F375 HydrophobicContact CD1-CE1 4.18Å; Y332-F375 HydrophobicContact CD1-CE2 4.16Å; Y332-F375 AromaticContact CD1-CG 3.4Å; Y332-F375 HydrophobicContact CD1-CG 3.4Å; Y332-F375 HydrophobicContact CD1-CZ 4.39Å; Y332-F375 HydrophobicContact CE1-CB 4.27Å; Y332-F375 AromaticContact CE1-CD1 3.29Å; Y332-F375 HydrophobicContact CE1-CD1 3.29Å; Y332-F375 AromaticContact CE1-CD2 3.87Å; Y332-F375 HydrophobicContact CE1-CD2 3.87Å; Y332-F375 AromaticContact CE1-CE1 3.41Å; Y332-F375 HydrophobicContact CE1-CE1 3.41Å; Y332-F375 VanDerWaalsContact CE1-CE1 3.41Å; Y332-F375 AromaticContact CE1-CE2 3.98Å; Y332-F375 HydrophobicContact CE1-CE2 3.98Å; Y332-F375 AromaticContact CE1-CG 3.52Å; Y332-F375 HydrophobicContact CE1-CG 3.52Å; Y332-F375 AromaticContact CE1-CZ 3.76Å; Y332-F375 HydrophobicContact CE1-CZ 3.76Å; Y332-F375 HydrophobicContact CG-CB 4.16Å; Y332-F375 HydrophobicContact CG-CG 4.26Å; Y332-F375 AromaticContact CZ-CD1 3.88Å; F335-F375 HydrophobicContact CD1-CB 4.11Å; F335-F375 AromaticContact CD1-CD2 3.9Å; F335-F375 HydrophobicContact CD1-CD2 3.9Å; F335-F375 HydrophobicContact CD2-CD2 4.24Å; F335-F375 HydrophobicContact CE1-CB 4.31Å; F335-F375 HydrophobicContact CE1-CD2 4.03Å; F335-F375 HydrophobicContact CE2-CD2 4.34Å; F335-F375 HydrophobicContact CG-CD2 4.02Å; F335-F375 HydrophobicContact CZ-CD2 4.24Å; N371-F375 PolarHBondContact O-N 2.8Å; N371-F375 VanDerWaalsContact O-N 3.08Å; N372-F375 PolarHBondContact O-N 3.3Å; I373-F375 VanDerWaalsContact C-N 3.32Å; I373-F375 PolarHBondContact O-N 3.36Å; F375-M377 PolarHBondContact O-N 3.29Å; F375-M378 PolarHBondContact O-N 3.44Å; F375-K379 HydrophobicContact CD1-CD 4.42Å; F375-K379 HydrophobicContact CE1-CD 3.58Å; F375-K379 HydrophobicContact CZ-CD 3.74Å; F375-K379 VanDerWaalsContact O-CB 3.23Å; F375-K379 WeakPolarHBondContact O-CB 3.31Å; F375-K379 PolarHBondContact O-N 2.85Å
376	L	97	Very high	94.6	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-51	-179	-179.6	70.4	0	0	0	112	I307 Q310 M311 W314 N372 I373 M378 K379 E380	I307-L376 HydrophobicContact CB-CD2 4.46Å; I307-L376 HydrophobicContact CG1-CG 4.33Å; I307-L376 HydrophobicContact CG2-CD2 3.93Å; I307-L376 HydrophobicContact CG2-CG 4.41Å; Q310-L376 HydrophobicContact CB-CD1 3.91Å; Q310-L376 HydrophobicContact CB-CD2 3.94Å; Q310-L376 HydrophobicContact CG-CD1 3.88Å; Q310-L376 HydrophobicContact CG-CD2 4.08Å; M311-L376 HydrophobicContact CG-CD2 3.85Å; W314-L376 HydrophobicContact CH2-CB 3.88Å; W314-L376 HydrophobicContact CH2-CD2 3.65Å; W314-L376 HydrophobicContact CH2-CG 4.27Å; W314-L376 HydrophobicContact CZ3-CD2 3.71Å; N372-L376 VanDerWaalsContact O-CB 3.27Å; N372-L376 WeakPolarHBondContact O-CB 3.32Å; N372-L376 PolarHBondContact O-N 2.98Å; I373-L376 PolarHBondContact O-N 2.94Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 3.22Å; L376-K379 PolarHBondContact O-N 3.22Å; L376-E380 HydrophobicContact CD1-CG 3.51Å; L376-E380 HydrophobicContact CG-CG 4.27Å; L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 WeakPolarHBondContact O-CG 3.23Å; L376-E380 PolarHBondContact O-N 3.17Å
377	M	97.8	Very high	95	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-41.4	-179.9	-68.2	-177.4	-53.8	0	0	112	F287 F346 V350 I373 F374 F375 K379 W381 L384	F287-M377 HydrophobicContact CE1-SD 4.5Å; F287-M377 HydrophobicContact CZ-SD 3.91Å; F346-M377 HydrophobicContact CE1-CE 3.93Å; F346-M377 HydrophobicContact CE2-CE 4.48Å; F346-M377 HydrophobicContact CZ-CB 4.34Å; F346-M377 HydrophobicContact CZ-CE 3.53Å; F346-M377 HydrophobicContact CZ-SD 4.01Å; V350-M377 HydrophobicContact CB-CE 4.09Å; V350-M377 HydrophobicContact CG1-CE 3.6Å; V350-M377 HydrophobicContact CG1-SD 4.23Å; V350-M377 HydrophobicContact CG2-CE 3.36Å; V350-M377 HydrophobicContact CG2-SD 3.76Å; I373-M377 HydrophobicContact CG2-CE 4.09Å; I373-M377 HydrophobicContact CG2-CG 4.41Å; I373-M377 HydrophobicContact CG2-SD 4.24Å; I373-M377 WeakPolarHBondContact O-CG 3.48Å; I373-M377 PolarHBondContact O-N 3.17Å; F374-M377 HydrophobicContact CD1-CE 3.87Å; F374-M377 HydrophobicContact CE1-CE 4.25Å; F375-M377 PolarHBondContact O-N 3.29Å; M377-K379 VanDerWaalsContact C-N 3.28Å; M377-K379 PolarHBondContact O-N 2.82Å; M377-W381 WeakPolarHBondContact O-CB 3.39Å; M377-W381 PolarHBondContact O-N 2.95Å; M377-L384 HydrophobicContact CB-CD2 4.44Å
378	M	97.6	Very high	95.4	Very high	24 Å²	24	33.8 Å²	33.8	12%	0.118	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-26.3	-179.8	-69.2	-65.5	-70.3	0	0	113	F335 V339 Y343 F346 F374 F375 L376 L384 P385 L388	F335-M378 HydrophobicContact CE1-CB 3.78Å; F335-M378 HydrophobicContact CE1-CG 3.98Å; F335-M378 HydrophobicContact CZ-CB 3.62Å; F335-M378 HydrophobicContact CZ-CG 4.14Å; V339-M378 HydrophobicContact CG1-CG 4.13Å; V339-M378 HydrophobicContact CG1-SD 4.3Å; V339-M378 HydrophobicContact CG2-CE 4.35Å; V339-M378 HydrophobicContact CG2-CG 3.84Å; Y343-M378 HydrophobicContact CD2-CE 4.29Å; Y343-M378 HydrophobicContact CE2-CE 3.79Å; F346-M378 HydrophobicContact CE1-SD 4.26Å; F374-M378 WeakPolarHBondContact O-CB 3.39Å; F374-M378 VanDerWaalsContact O-CG 3.26Å; F374-M378 WeakPolarHBondContact O-CG 3.45Å; F374-M378 PolarHBondContact O-N 2.95Å; F375-M378 PolarHBondContact O-N 3.44Å; L376-M378 VanDerWaalsContact C-N 3.33Å; L376-M378 PolarHBondContact O-N 3.22Å; M378-L384 HydrophobicContact SD-CD2 3.86Å; M378-L384 HydrophobicContact SD-CG 4.32Å; M378-P385 HydrophobicContact CE-CB 4.14Å; M378-P385 HydrophobicContact CE-CG 3.82Å; M378-L388 HydrophobicContact CE-CD1 4.5Å; M378-L388 HydrophobicContact SD-CD1 3.95Å
379	K	95.7	Very high	95.6	Very high	87 Å²	87	33.5 Å²	33.5	38%	0.378	17%	0.168	S	C	.	.	H	α-helix	trans	-83.6	-49	179.9	177.8	177.1	171.1	-107.9	0	112.2	D194 F375 L376 M377	D194-K379 IonicContact OD2-NZ 2.93Å; D194-K379 PolarHBondContact OD2-NZ 3.04Å; F375-K379 HydrophobicContact CD1-CD 4.42Å; F375-K379 HydrophobicContact CE1-CD 3.58Å; F375-K379 HydrophobicContact CZ-CD 3.74Å; F375-K379 VanDerWaalsContact O-CB 3.23Å; F375-K379 WeakPolarHBondContact O-CB 3.31Å; F375-K379 PolarHBondContact O-N 2.85Å; L376-K379 PolarHBondContact O-N 3.22Å; M377-K379 VanDerWaalsContact C-N 3.28Å; M377-K379 PolarHBondContact O-N 2.82Å
380	E	96.7	Very high	95.5	Very high	33 Å²	33	39.4 Å²	39.4	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-94	-21.9	-170.3	-57	-54.9	150.8	0	0	113.8	D303 K306 I307 L376 S382	D303-E380 VanDerWaalsContact CB-O 3.22Å; D303-E380 WeakPolarHBondContact CB-O 3.11Å; K306-E380 HydrophobicContact CG-CG 4.06Å; K306-E380 WeakPolarHBondContact CG-OE2 3.18Å; I307-E380 HydrophobicContact CD1-CB 4.03Å; I307-E380 HydrophobicContact CG1-CB 3.56Å; I307-E380 HydrophobicContact CG1-CG 4.25Å; L376-E380 HydrophobicContact CD1-CG 3.51Å; L376-E380 HydrophobicContact CG-CG 4.27Å; L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 WeakPolarHBondContact O-CG 3.23Å; L376-E380 PolarHBondContact O-N 3.17Å; E380-S382 PolarHBondContact O-N 3.33Å; E380-S382 VanDerWaalsContact O-N 3.13Å
381	W	97.7	Very high	95.2	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	19%	0.19	C	C	.	.	S	Bend	trans	-83.2	95	176.6	-163	-17.5	0	0	0	109.5	V291 I295 F297 P298 L299 I307 M377 Q383 L384	V291-W381 HydrophobicContact CG1-CH2 4.11Å; V291-W381 HydrophobicContact CG1-CZ3 3.82Å; I295-W381 HydrophobicContact CD1-CH2 3.95Å; I295-W381 HydrophobicContact CD1-CZ2 4.23Å; I295-W381 HydrophobicContact CD1-CZ3 4.35Å; F297-W381 AromaticContact CD1-CE2 3.74Å; F297-W381 HydrophobicContact CD1-CZ2 4.12Å; F297-W381 AromaticContact CD1-NE1 3.29Å; F297-W381 VanDerWaalsContact CD1-NE1 3.29Å; F297-W381 AromaticContact CE1-CD1 3.68Å; F297-W381 AromaticContact CE1-NE1 3.38Å; F297-W381 VanDerWaalsContact O-CZ2 3.3Å; F297-W381 WeakPolarHBondContact O-CZ2 3.27Å; P298-W381 PolarHBondContact O-NE1 3.09Å; L299-W381 HydrophobicContact CB-CZ2 3.82Å; L299-W381 HydrophobicContact CD1-CB 4.15Å; L299-W381 HydrophobicContact CD1-CD2 3.62Å; L299-W381 HydrophobicContact CD1-CE3 4.37Å; L299-W381 HydrophobicContact CD1-CG 3.48Å; L299-W381 VanDerWaalsContact CD1-CG 3.48Å; L299-W381 HydrophobicContact CD1-CZ2 4.34Å; I307-W381 HydrophobicContact CD1-CB 4.3Å; M377-W381 WeakPolarHBondContact O-CB 3.39Å; M377-W381 PolarHBondContact O-N 2.95Å; W381-Q383 PolarHBondContact O-N 3.04Å; W381-L384 HydrophobicContact CB-CB 3.81Å; W381-L384 HydrophobicContact CB-CD2 3.92Å; W381-L384 HydrophobicContact CB-CG 4.43Å; W381-L384 HydrophobicContact CD2-CB 4.33Å; W381-L384 HydrophobicContact CD2-CD1 4.13Å; W381-L384 HydrophobicContact CD2-CD2 4.07Å; W381-L384 HydrophobicContact CD2-CG 4.41Å; W381-L384 HydrophobicContact CE3-CD1 4.23Å; W381-L384 HydrophobicContact CE3-CD2 3.82Å; W381-L384 HydrophobicContact CG-CB 3.83Å; W381-L384 HydrophobicContact CG-CD1 4.5Å; W381-L384 HydrophobicContact CG-CD2 4.16Å; W381-L384 HydrophobicContact CG-CG 4.38Å; W381-L384 WeakPolarHBondContact O-CB 3.44Å; W381-L384 PolarHBondContact O-N 2.8Å
382	S	97.1	Very high	94.9	Very high	58 Å²	58	38.9 Å²	38.9	41%	0.406	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	129.8	-177	-69.1	0	0	0	0	111.2	F297 D303 E380 L384	F297-S382 WeakPolarHBondContact CE1-O 3.31Å; D303-S382 PolarHBondContact OD1-OG 3.45Å; D303-S382 WeakPolarHBondContact OD2-CA 3.5Å; D303-S382 WeakPolarHBondContact OD2-CB 3.32Å; D303-S382 PolarHBondContact OD2-N 3.42Å; D303-S382 PolarHBondContact OD2-OG 2.9Å; E380-S382 PolarHBondContact O-N 3.33Å; E380-S382 VanDerWaalsContact O-N 3.13Å; S382-L384 PolarHBondContact O-N 2.7Å; S382-L384 VanDerWaalsContact O-N 3.08Å
383	Q	96.8	Very high	94.5	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	5.1	178.9	-48.4	-67.6	-53.9	0	0	115.5	F297 W381 I386 H387	F297-Q383 HydrophobicContact CZ-CB 4.1Å; W381-Q383 PolarHBondContact O-N 3.04Å; Q383-I386 PolarHBondContact O-N 3.02Å; Q383-I386 VanDerWaalsContact O-N 3.1Å; Q383-H387 PolarHBondContact O-N 2.74Å
384	L	97.8	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54	-45.9	176.8	176.5	67.7	0	0	0	112.7	I295 F297 F346 M377 M378 W381 S382 I386 H387 L388	I295-L384 HydrophobicContact CD1-CD1 3.45Å; I295-L384 VanDerWaalsContact CD1-CD1 3.45Å; F297-L384 HydrophobicContact CD1-CD1 4.15Å; F297-L384 HydrophobicContact CE1-CB 4.4Å; F346-L384 HydrophobicContact CE1-CD2 4.49Å; F346-L384 HydrophobicContact CE2-CD1 4.42Å; F346-L384 HydrophobicContact CE2-CD2 4.18Å; F346-L384 HydrophobicContact CZ-CD2 3.79Å; M377-L384 HydrophobicContact CB-CD2 4.44Å; M378-L384 HydrophobicContact SD-CD2 3.86Å; M378-L384 HydrophobicContact SD-CG 4.32Å; W381-L384 HydrophobicContact CB-CB 3.81Å; W381-L384 HydrophobicContact CB-CD2 3.92Å; W381-L384 HydrophobicContact CB-CG 4.43Å; W381-L384 HydrophobicContact CD2-CB 4.33Å; W381-L384 HydrophobicContact CD2-CD1 4.13Å; W381-L384 HydrophobicContact CD2-CD2 4.07Å; W381-L384 HydrophobicContact CD2-CG 4.41Å; W381-L384 HydrophobicContact CE3-CD1 4.23Å; W381-L384 HydrophobicContact CE3-CD2 3.82Å; W381-L384 HydrophobicContact CG-CB 3.83Å; W381-L384 HydrophobicContact CG-CD1 4.5Å; W381-L384 HydrophobicContact CG-CD2 4.16Å; W381-L384 HydrophobicContact CG-CG 4.38Å; W381-L384 WeakPolarHBondContact O-CB 3.44Å; W381-L384 PolarHBondContact O-N 2.8Å; S382-L384 PolarHBondContact O-N 2.7Å; S382-L384 VanDerWaalsContact O-N 3.08Å; L384-I386 VanDerWaalsContact C-N 3.28Å; L384-I386 PolarHBondContact O-N 3.21Å; L384-H387 PolarHBondContact O-N 3.14Å; L384-L388 HydrophobicContact CD1-CD1 3.99Å; L384-L388 HydrophobicContact CD1-CD2 4.15Å; L384-L388 HydrophobicContact CD1-CG 3.79Å; L384-L388 HydrophobicContact CD2-CD1 4.38Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 HydrophobicContact CG-CG 4.09Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.16Å; L384-L388 PolarHBondContact O-N 2.6Å
385	P	95.1	Very high	94	Very high	47 Å²	47	43 Å²	43	31%	0.305	21%	0.206	S	C	.	.	H	α-helix	trans	-59.3	-38.9	178.2	-23.8	34	0	0	0	113	M378 L388 E389	M378-P385 HydrophobicContact CE-CB 4.14Å; M378-P385 HydrophobicContact CE-CG 3.82Å; P385-L388 PolarHBondContact O-N 3.03Å; P385-E389 WeakPolarHBondContact O-CB 3.44Å; P385-E389 WeakPolarHBondContact O-CG 3.47Å; P385-E389 PolarHBondContact O-N 3.44Å
386	I	93.9	Very high	94.1	Very high	86 Å²	86	41.3 Å²	41.3	44%	0.441	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-41	178.7	-70.9	160.1	0	0	0	110.6	Q383 L384 K390	Q383-I386 PolarHBondContact O-N 3.02Å; Q383-I386 VanDerWaalsContact O-N 3.1Å; L384-I386 VanDerWaalsContact C-N 3.28Å; L384-I386 PolarHBondContact O-N 3.21Å; I386-K390 WeakPolarHBondContact O-CG 3.33Å; I386-K390 PolarHBondContact O-N 2.97Å
387	H	94.9	Very high	94.1	Very high	33 Å²	33	41 Å²	41	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-48.2	175.7	-175.3	71.6	0	0	0	111.7	I295 F297 Q383 L384 E389 K390 L391	I295-H387 PolarHBondContact O-NE2 3.4Å; F297-H387 VanDerWaalsContact CB-CD2 3.47Å; F297-H387 WeakPolarHBondContact CB-CD2 3.48Å; F297-H387 HydrophobicContact CD1-CB 4.22Å; F297-H387 HydrophobicContact CD2-CB 3.91Å; F297-H387 AromaticContact CD2-CD2 3.93Å; F297-H387 AromaticContact CD2-CE1 3.93Å; F297-H387 AromaticContact CD2-CG 3.52Å; F297-H387 AromaticContact CD2-ND1 3.58Å; F297-H387 HydrophobicContact CE1-CB 4.32Å; F297-H387 HydrophobicContact CE2-CB 4.02Å; F297-H387 HydrophobicContact CG-CB 4.05Å; F297-H387 AromaticContact CG-CD2 3.65Å; F297-H387 AromaticContact CG-CG 3.66Å; F297-H387 HydrophobicContact CZ-CB 4.24Å; Q383-H387 PolarHBondContact O-N 2.74Å; L384-H387 PolarHBondContact O-N 3.14Å; H387-E389 VanDerWaalsContact C-N 3.27Å; H387-E389 PolarHBondContact O-N 2.99Å; H387-K390 WeakPolarHBondContact O-CB 3.4Å; H387-K390 PolarHBondContact O-N 2.78Å; H387-K390 VanDerWaalsContact O-N 3.07Å; H387-L391 WeakPolarHBondContact NE2-CD1 2.92Å; H387-L391 PolarHBondContact O-N 3.11Å; H387-L391 VanDerWaalsContact O-N 3.14Å
388	L	93.6	Very high	94.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-37.4	179.1	-68.8	-179.3	0	0	0	112	I295 Y343 F346 M378 L384 P385 L391 R392	I295-L388 HydrophobicContact CD1-CD2 4.39Å; I295-L388 HydrophobicContact CG2-CD2 4.47Å; Y343-L388 HydrophobicContact CD1-CB 3.64Å; Y343-L388 HydrophobicContact CD1-CD1 4.19Å; Y343-L388 HydrophobicContact CD1-CG 4.47Å; Y343-L388 HydrophobicContact CD2-CD1 4.09Å; Y343-L388 HydrophobicContact CE1-CB 3.59Å; Y343-L388 HydrophobicContact CE2-CD1 4.45Å; Y343-L388 HydrophobicContact CG-CB 4.26Å; Y343-L388 HydrophobicContact CG-CD1 3.94Å; F346-L388 HydrophobicContact CB-CD1 4.37Å; F346-L388 HydrophobicContact CB-CD2 3.86Å; F346-L388 HydrophobicContact CD1-CD1 3.89Å; F346-L388 HydrophobicContact CD2-CD1 4.41Å; F346-L388 HydrophobicContact CD2-CD2 4.13Å; F346-L388 HydrophobicContact CE1-CD1 4.25Å; F346-L388 HydrophobicContact CG-CD1 3.97Å; F346-L388 HydrophobicContact CG-CD2 4Å; M378-L388 HydrophobicContact CE-CD1 4.5Å; M378-L388 HydrophobicContact SD-CD1 3.95Å; L384-L388 HydrophobicContact CD1-CD1 3.99Å; L384-L388 HydrophobicContact CD1-CD2 4.15Å; L384-L388 HydrophobicContact CD1-CG 3.79Å; L384-L388 HydrophobicContact CD2-CD1 4.38Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 HydrophobicContact CG-CG 4.09Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.16Å; L384-L388 PolarHBondContact O-N 2.6Å; P385-L388 PolarHBondContact O-N 3.03Å; L388-L391 HydrophobicContact CD2-CD1 4.37Å; L388-L391 PolarHBondContact O-N 2.91Å; L388-R392 WeakPolarHBondContact O-CG 3.33Å; L388-R392 PolarHBondContact O-N 2.97Å
389	E	90.8	Very high	94.1	Very high	43 Å²	43	40.2 Å²	40.2	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-40.8	173.7	-80.1	-64.7	124.7	0	0	112.7	Y343 P385 H387 L391 R392 W422	Y343-E389 HydrophobicContact CE1-CG 4.42Å; Y343-E389 WeakPolarHBondContact CE1-OE1 3.4Å; Y343-E389 PolarHBondContact OH-OE1 3Å; Y343-E389 VanDerWaalsContact OH-OE1 3.13Å; P385-E389 WeakPolarHBondContact O-CB 3.44Å; P385-E389 WeakPolarHBondContact O-CG 3.47Å; P385-E389 PolarHBondContact O-N 3.44Å; H387-E389 VanDerWaalsContact C-N 3.27Å; H387-E389 PolarHBondContact O-N 2.99Å; E389-L391 PolarHBondContact O-N 3.09Å; E389-R392 WeakPolarHBondContact O-CB 2.94Å; E389-R392 PolarHBondContact O-N 3.27Å; E389-R392 VanDerWaalsContact O-N 3.14Å; E389-R392 WeakPolarHBondContact OE1-CD 3.35Å; E389-R392 IonicContact OE1-CZ 2.72Å; E389-R392 IonicContact OE1-NE 2.99Å; E389-R392 IonicContact OE1-NH1 2.88Å; E389-R392 PolarHBondContact OE1-NH1 3.35Å; E389-R392 IonicContact OE2-NH1 3.99Å; E389-R392 PolarHBondContact OE2-NH1 3.21Å; E389-W422 PolarHBondContact OE2-NE1 3.14Å
390	K	89	Confident	94.1	Very high	153 Å²	153	36.1 Å²	36.1	67%	0.665	18%	0.176	S	C	*	.	H	α-helix	trans	-65.1	-29.5	176	-69.8	171.3	-178.2	175	0	113.1	I386 H387 R392	I386-K390 WeakPolarHBondContact O-CG 3.33Å; I386-K390 PolarHBondContact O-N 2.97Å; H387-K390 WeakPolarHBondContact O-CB 3.4Å; H387-K390 PolarHBondContact O-N 2.78Å; H387-K390 VanDerWaalsContact O-N 3.07Å; K390-R392 VanDerWaalsContact C-N 3.27Å
391	L	88.5	Confident	94.1	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.5	177.2	-69.1	-179.5	0	0	0	113	I295 H387 L388 E389 Y509	I295-L391 HydrophobicContact CB-CD1 4.25Å; H387-L391 WeakPolarHBondContact NE2-CD1 2.92Å; H387-L391 PolarHBondContact O-N 3.11Å; H387-L391 VanDerWaalsContact O-N 3.14Å; L388-L391 HydrophobicContact CD2-CD1 4.37Å; L388-L391 PolarHBondContact O-N 2.91Å; E389-L391 PolarHBondContact O-N 3.09Å; L391-Y509 HydrophobicContact CB-CD1 3.6Å; L391-Y509 HydrophobicContact CB-CE1 3.78Å; L391-Y509 HydrophobicContact CB-CG 4.07Å; L391-Y509 HydrophobicContact CD1-CD1 4.23Å; L391-Y509 HydrophobicContact CD1-CD2 4.07Å; L391-Y509 HydrophobicContact CD1-CE1 3.96Å; L391-Y509 HydrophobicContact CD1-CE2 3.86Å; L391-Y509 HydrophobicContact CD1-CG 4.25Å; L391-Y509 HydrophobicContact CD2-CD2 4.37Å; L391-Y509 HydrophobicContact CD2-CG 4.15Å; L391-Y509 HydrophobicContact CG-CD1 4.36Å; L391-Y509 HydrophobicContact CG-CE1 4.47Å; L391-Y509 HydrophobicContact CG-CG 4.41Å; L391-Y509 WeakPolarHBondContact O-CD1 3.45Å
392	R	87	Confident	94	Very high	33 Å²	33	38.1 Å²	38.1	13%	0.125	19%	0.189	C	C	.	.	S	Bend	trans	-71.1	139.2	179	-65	176.8	74.6	-156.1	-4.5	110.4	L388 E389 K390 K394 Q486	L388-R392 WeakPolarHBondContact O-CG 3.33Å; L388-R392 PolarHBondContact O-N 2.97Å; E389-R392 WeakPolarHBondContact O-CB 2.94Å; E389-R392 PolarHBondContact O-N 3.27Å; E389-R392 VanDerWaalsContact O-N 3.14Å; E389-R392 WeakPolarHBondContact OE1-CD 3.35Å; E389-R392 IonicContact OE1-CZ 2.72Å; E389-R392 IonicContact OE1-NE 2.99Å; E389-R392 IonicContact OE1-NH1 2.88Å; E389-R392 PolarHBondContact OE1-NH1 3.35Å; E389-R392 IonicContact OE2-NH1 3.99Å; E389-R392 PolarHBondContact OE2-NH1 3.21Å; K390-R392 VanDerWaalsContact C-N 3.27Å; R392-K394 PolarHBondContact O-N 2.97Å; R392-Q486 VanDerWaalsContact CZ-OE1 3.23Å
393	R	86.2	Confident	93.9	Very high	26 Å²	26	40 Å²	40	10%	0.098	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-55.6	133.5	170.4	174.9	176.3	178.1	-99.5	2.3	109.9	D447 Q486 Q512 N516	R393-D447 IonicContact CZ-OD1 3.62Å; R393-D447 IonicContact CZ-OD2 3.7Å; R393-D447 VanDerWaalsContact CZ-OD2 3.27Å; R393-D447 IonicContact NH1-OD1 2.63Å; R393-D447 PolarHBondContact NH1-OD1 3.03Å; R393-D447 IonicContact NH1-OD2 3.63Å; R393-D447 PolarHBondContact NH1-OD2 2.83Å; R393-D447 IonicContact NH2-OD1 2.76Å; R393-D447 PolarHBondContact NH2-OD1 3.33Å; R393-D447 IonicContact NH2-OD2 2.76Å; R393-D447 PolarHBondContact NH2-OD2 2.9Å; R393-Q486 PolarHBondContact O-NE2 3.33Å; R393-Q512 HydrophobicContact CB-CB 4.27Å; R393-N516 PolarHBondContact NE-ND2 3.05Å; R393-N516 VanDerWaalsContact NE-ND2 3.19Å; R393-N516 PolarHBondContact NE-OD1 3.04Å; R393-N516 VanDerWaalsContact NE-OD1 3.1Å; R393-N516 PolarHBondContact NH2-OD1 3.27Å
394	K	91.3	Very high	93.7	Very high	79 Å²	79	36 Å²	36	34%	0.343	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-76.1	140.1	168.9	-64.6	-167.7	178.3	-163.9	0	110.5	R392 S420 N421 W422 I424 N516	R392-K394 PolarHBondContact O-N 2.97Å; K394-S420 PolarHBondContact NZ-O 3.14Å; K394-N421 WeakPolarHBondContact CE-O 3.3Å; K394-W422 CarbonylContact C-O 3.56Å; K394-W422 WeakPolarHBondContact CA-O 3.3Å; K394-I424 HydrophobicContact CB-CD1 4.08Å; K394-I424 HydrophobicContact CB-CG1 3.94Å; K394-I424 HydrophobicContact CD-CD1 4.43Å; K394-I424 HydrophobicContact CD-CG1 3.93Å; K394-N516 PolarHBondContact O-ND2 3.01Å
395	V	93.9	Very high	93.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.7	178	177.3	0	0	0	0	109.2	I397 W422 T423 I424 D447 I448 I482 H485 Q486	V395-I397 HydrophobicContact CG1-CG1 4.33Å; V395-W422 PolarHBondContact N-O 2.74Å; V395-T423 CarbonylContact O-C 3.5Å; V395-T423 WeakPolarHBondContact O-CA 3.23Å; V395-I424 PolarHBondContact O-N 3.26Å; V395-D447 VanDerWaalsContact CA-OD2 3.32Å; V395-D447 WeakPolarHBondContact CA-OD2 3.41Å; V395-D447 HydrophobicContact CB-CB 4.5Å; V395-D447 HydrophobicContact CG1-CB 3.49Å; V395-D447 VanDerWaalsContact CG1-CB 3.49Å; V395-I448 HydrophobicContact CG1-CD1 3.61Å; V395-I448 HydrophobicContact CG1-CG1 3.8Å; V395-I482 HydrophobicContact CB-CG2 4.49Å; V395-I482 HydrophobicContact CG1-CG1 4.44Å; V395-I482 HydrophobicContact CG2-CB 4.41Å; V395-I482 HydrophobicContact CG2-CG2 3.88Å; V395-H485 HydrophobicContact CG2-CB 4.35Å; V395-Q486 HydrophobicContact CG2-CG 3.57Å
396	T	97	Very high	93.5	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.104	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.4	175	56.4	0	0	0	0	110	I424 D447 I448	T396-I424 CarbonylContact C-O 3.58Å; T396-I424 WeakPolarHBondContact CA-O 3.33Å; T396-I424 HydrophobicContact CG2-CB 4.41Å; T396-D447 PolarHBondContact N-OD2 2.84Å; T396-D447 WeakPolarHBondContact O-CB 3.39Å; T396-D447 PolarHBondContact O-N 3.2Å; T396-D447 PolarHBondContact OG1-N 3.11Å; T396-D447 PolarHBondContact OG1-OD2 3.48Å; T396-I448 PolarHBondContact O-N 3.23Å
397	I	97.9	Very high	93.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	-179.2	-52.8	-172	0	0	0	109	V395 V399 L415 T423 I424 V425 D426 I448 L450 L478	V395-I397 HydrophobicContact CG1-CG1 4.33Å; I397-V399 HydrophobicContact CG2-CG2 4.36Å; I397-L415 HydrophobicContact CG2-CD1 4.18Å; I397-T423 HydrophobicContact CD1-CG2 3.54Å; I397-T423 HydrophobicContact CG1-CG2 4.24Å; I397-I424 PolarHBondContact N-O 2.96Å; I397-V425 HydrophobicContact CB-CG1 4.4Å; I397-V425 HydrophobicContact CB-CG2 4.36Å; I397-V425 WeakPolarHBondContact O-CA 3.45Å; I397-D426 PolarHBondContact O-N 2.98Å; I397-I448 CarbonylContact C-O 3.19Å; I397-I448 VanDerWaalsContact CA-O 3.27Å; I397-I448 WeakPolarHBondContact CA-O 3.42Å; I397-I448 HydrophobicContact CD1-CD1 4.42Å; I397-I448 HydrophobicContact CG1-CB 4.19Å; I397-I448 HydrophobicContact CG1-CD1 4.47Å; I397-I448 HydrophobicContact CG2-CB 4.45Å; I397-I448 HydrophobicContact CG2-CG2 4.43Å; I397-L450 HydrophobicContact CG2-CB 3.83Å; I397-L478 HydrophobicContact CD1-CD1 4Å
398	H	97.5	Very high	93.7	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.6	169.7	-154.4	63.4	0	0	0	110.4	T427 F428 F443 Y446 I448 V449 L450	H398-T427 VanDerWaalsContact CE1-C 3.46Å; H398-F428 VanDerWaalsContact NE2-CA 3.33Å; H398-F428 WeakPolarHBondContact NE2-CA 3.38Å; H398-F428 WeakPolarHBondContact NE2-CB 3.34Å; H398-F428 AromaticContact NE2-CD2 3.8Å; H398-F428 PolarHBondContact NE2-N 2.94Å; H398-F443 AromaticContact CD2-CD1 3.66Å; H398-F443 AromaticContact CD2-CE1 3.5Å; H398-F443 AromaticContact NE2-CE1 3.81Å; H398-Y446 HydrophobicContact CB-CD1 3.7Å; H398-Y446 HydrophobicContact CB-CD2 3.81Å; H398-Y446 HydrophobicContact CB-CE1 3.9Å; H398-Y446 HydrophobicContact CB-CE2 4.01Å; H398-Y446 HydrophobicContact CB-CG 3.65Å; H398-Y446 AromaticContact CG-CE2 3.89Å; H398-Y446 AromaticContact CG-CZ 3.87Å; H398-Y446 AromaticContact ND1-CE1 3.73Å; H398-Y446 AromaticContact ND1-CE2 3.76Å; H398-Y446 AromaticContact ND1-CZ 3.35Å; H398-Y446 VanDerWaalsContact ND1-CZ 3.35Å; H398-Y446 PolarHBondContact ND1-OH 2.69Å; H398-I448 PolarHBondContact N-O 2.91Å; H398-V449 CarbonylContact O-C 3.53Å; H398-V449 WeakPolarHBondContact O-CA 3.42Å; H398-L450 PolarHBondContact O-N 3.26Å
399	V	97.8	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.7	-178.2	-178.3	0	0	0	0	110	I397 A408 L411 L415 V425 D426 T427 F428 L450	I397-V399 HydrophobicContact CG2-CG2 4.36Å; V399-A408 HydrophobicContact CG1-CB 4.07Å; V399-L411 HydrophobicContact CG1-CB 3.86Å; V399-L411 HydrophobicContact CG1-CD1 4.08Å; V399-L415 HydrophobicContact CG2-CD1 3.77Å; V399-V425 HydrophobicContact CG2-CG1 3.7Å; V399-D426 PolarHBondContact N-O 3.46Å; V399-T427 HydrophobicContact CB-CG2 4.16Å; V399-F428 PolarHBondContact O-N 2.93Å; V399-L450 CarbonylContact C-O 3.6Å; V399-L450 WeakPolarHBondContact CA-O 3.22Å; V399-L450 HydrophobicContact CG1-CD2 4.27Å; V399-L450 HydrophobicContact CG2-CD2 4.45Å
400	V	96.5	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.5	179.9	-175.3	0	0	0	0	109.3	F428 V432 F443 V449 L450 S451 I455	V400-F428 HydrophobicContact CB-CB 4.43Å; V400-F428 HydrophobicContact CG1-CB 4.46Å; V400-F428 HydrophobicContact CG1-CD1 4.35Å; V400-F428 HydrophobicContact CG2-CB 3.96Å; V400-V432 HydrophobicContact CG1-CG1 4.33Å; V400-V432 HydrophobicContact CG1-CG2 3.76Å; V400-F443 HydrophobicContact CG1-CZ 4.48Å; V400-F443 HydrophobicContact CG2-CE1 4.03Å; V400-F443 HydrophobicContact CG2-CE2 4.14Å; V400-F443 HydrophobicContact CG2-CZ 3.78Å; V400-V449 HydrophobicContact CG2-CG1 3.88Å; V400-L450 PolarHBondContact N-O 3.1Å; V400-S451 WeakPolarHBondContact O-CA 3.45Å; V400-S451 WeakPolarHBondContact O-CB 3.47Å; V400-S451 PolarHBondContact O-OG 2.88Å; V400-I455 HydrophobicContact CB-CD1 3.96Å; V400-I455 HydrophobicContact CG1-CD1 3.9Å; V400-I455 HydrophobicContact CG1-CG1 4.24Å; V400-I455 HydrophobicContact CG2-CD1 4.05Å
401	S	96	Very high	94.6	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.035	20%	0.2	C	C	.	.			trans	-124.7	121.1	-175.8	171	0	0	0	0	113.6	L403 G404 H407 V432 N452	S401-L403 PolarHBondContact O-N 2.81Å; S401-L403 PolarHBondContact OG-N 3.07Å; S401-G404 PolarHBondContact O-N 2.63Å; S401-H407 WeakPolarHBondContact OG-CB 3.49Å; S401-H407 PolarHBondContact OG-ND1 3.06Å; S401-V432 VanDerWaalsContact O-CG2 3.22Å; S401-V432 WeakPolarHBondContact O-CG2 3.49Å; S401-N452 VanDerWaalsContact CA-OD1 3.23Å; S401-N452 WeakPolarHBondContact CA-OD1 3.49Å
402	D	94.9	Very high	94.9	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.7	174.7	75.7	-12.9	0	0	0	113.4	G404 V432 N452 N453	D402-G404 PolarHBondContact O-N 3.28Å; D402-V432 HydrophobicContact CB-CB 4.45Å; D402-V432 HydrophobicContact CB-CG1 4.36Å; D402-N452 PolarHBondContact N-OD1 3.18Å; D402-N452 VanDerWaalsContact N-OD1 3.07Å; D402-N452 PolarHBondContact OD1-ND2 3.27Å; D402-N452 PolarHBondContact OD1-OD1 3.23Å; D402-N453 WeakPolarHBondContact OD2-CB 3.4Å; D402-N453 PolarHBondContact OD2-ND2 2.8Å
403	L	95	Very high	95.4	Very high	98 Å²	98	48.4 Å²	48.4	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	7.6	171	-61.7	-178.2	0	0	0	113.6	S401 H407 N468	S401-L403 PolarHBondContact O-N 2.81Å; S401-L403 PolarHBondContact OG-N 3.07Å; L403-H407 HydrophobicContact CB-CB 3.77Å; L403-N468 HydrophobicContact CD1-CB 4.03Å; L403-N468 VanDerWaalsContact CD1-CG 3.48Å; L403-N468 WeakPolarHBondContact CD1-OD1 3.48Å
404	G	92.8	Very high	95.8	Very high	35 Å²	35	48.8 Å²	48.8	36%	0.361	23%	0.233	S	C	.	.			trans	89.9	172.6	174.9	0	0	0	0	0	114.6	S401 D402 K406 H407 A408	S401-G404 PolarHBondContact O-N 2.63Å; D402-G404 PolarHBondContact O-N 3.28Å; G404-K406 PolarHBondContact O-N 3.08Å; G404-H407 WeakPolarHBondContact O-CB 3.3Å; G404-H407 PolarHBondContact O-N 3.02Å; G404-A408 PolarHBondContact O-N 3.17Å
405	R	93.7	Very high	96	Very high	145 Å²	145	45 Å²	45	55%	0.547	22%	0.217	S	C	.	.	H	α-helix	trans	-53.9	-44.6	-170.1	179.4	178.6	163.4	173	2.4	114.3	H407 A408 E409	R405-H407 PolarHBondContact O-N 3.47Å; R405-A408 WeakPolarHBondContact O-CB 3.22Å; R405-A408 PolarHBondContact O-N 3.3Å; R405-A408 VanDerWaalsContact O-N 3.15Å; R405-E409 HydrophobicContact CG-CG 4.37Å; R405-E409 IonicContact CZ-OE1 3.39Å; R405-E409 IonicContact NE-OE1 2.77Å; R405-E409 PolarHBondContact NE-OE1 3.34Å; R405-E409 IonicContact NH2-OE1 3.1Å; R405-E409 PolarHBondContact NH2-OE1 2.87Å; R405-E409 VanDerWaalsContact NH2-OE1 3.1Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 3.35Å
406	K	95.4	Very high	96.1	Very high	178 Å²	178	47.9 Å²	47.9	77%	0.774	23%	0.234	S	C	*	.	H	α-helix	trans	-63.1	-30.9	-179.4	-71.7	-170.5	175.7	-176	0	113	G404 M410	G404-K406 PolarHBondContact O-N 3.08Å; K406-M410 WeakPolarHBondContact O-CB 3.12Å; K406-M410 PolarHBondContact O-N 3.13Å
407	H	96.5	Very high	95.9	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.116	26%	0.26	C	S	.	.	H	α-helix	trans	-74.5	-39.9	175.7	-178.9	-96.2	0	0	0	111.3	S401 L403 G404 R405 E409 M410 L411 N468	S401-H407 WeakPolarHBondContact OG-CB 3.49Å; S401-H407 PolarHBondContact OG-ND1 3.06Å; L403-H407 HydrophobicContact CB-CB 3.77Å; G404-H407 WeakPolarHBondContact O-CB 3.3Å; G404-H407 PolarHBondContact O-N 3.02Å; R405-H407 PolarHBondContact O-N 3.47Å; H407-E409 VanDerWaalsContact C-N 3.33Å; H407-E409 PolarHBondContact O-N 3.13Å; H407-M410 WeakPolarHBondContact O-CB 3.49Å; H407-M410 PolarHBondContact O-N 3.33Å; H407-L411 PolarHBondContact O-N 2.7Å; H407-N468 PolarHBondContact NE2-O 3.28Å
408	A	97	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-45.1	170.5	0	0	0	0	0	111.7	V399 G404 R405 M410 L411 R412 T427	V399-A408 HydrophobicContact CG1-CB 4.07Å; G404-A408 PolarHBondContact O-N 3.17Å; R405-A408 WeakPolarHBondContact O-CB 3.22Å; R405-A408 PolarHBondContact O-N 3.3Å; R405-A408 VanDerWaalsContact O-N 3.15Å; A408-M410 PolarHBondContact O-N 2.85Å; A408-L411 PolarHBondContact O-N 3.3Å; A408-R412 WeakPolarHBondContact O-CB 3.47Å; A408-R412 PolarHBondContact O-N 3.35Å; A408-T427 HydrophobicContact CB-CG2 3.95Å
409	E	97.1	Very high	95.4	Very high	57 Å²	57	55.4 Å²	55.4	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.4	-71.9	170.7	168.5	0	0	111.6	R405 H407 L411 R412 D413	R405-E409 HydrophobicContact CG-CG 4.37Å; R405-E409 IonicContact CZ-OE1 3.39Å; R405-E409 IonicContact NE-OE1 2.77Å; R405-E409 PolarHBondContact NE-OE1 3.34Å; R405-E409 IonicContact NH2-OE1 3.1Å; R405-E409 PolarHBondContact NH2-OE1 2.87Å; R405-E409 VanDerWaalsContact NH2-OE1 3.1Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 3.35Å; H407-E409 VanDerWaalsContact C-N 3.33Å; H407-E409 PolarHBondContact O-N 3.13Å; E409-L411 PolarHBondContact O-N 2.94Å; E409-R412 WeakPolarHBondContact O-CB 3.46Å; E409-R412 PolarHBondContact O-N 2.95Å; E409-D413 VanDerWaalsContact O-CG 3.28Å; E409-D413 PolarHBondContact O-N 2.98Å
410	M	96.9	Very high	95	Very high	78 Å²	78	57.9 Å²	57.9	38%	0.384	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-46.3	174.3	-179.3	-164.7	74.1	0	0	112.3	K406 H407 A408 D413 F414 N468	K406-M410 WeakPolarHBondContact O-CB 3.12Å; K406-M410 PolarHBondContact O-N 3.13Å; H407-M410 WeakPolarHBondContact O-CB 3.49Å; H407-M410 PolarHBondContact O-N 3.33Å; A408-M410 PolarHBondContact O-N 2.85Å; M410-D413 PolarHBondContact O-N 2.98Å; M410-F414 PolarHBondContact O-N 3.32Å; M410-N468 WeakPolarHBondContact CE-O 3.42Å
411	L	96.9	Very high	94.6	Very high	2 Å²	2	64 Å²	64	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-40.8	177.1	-69.3	179.1	0	0	0	111.3	V399 H407 A408 E409 F414 L415 L450 F470	V399-L411 HydrophobicContact CG1-CB 3.86Å; V399-L411 HydrophobicContact CG1-CD1 4.08Å; H407-L411 PolarHBondContact O-N 2.7Å; A408-L411 PolarHBondContact O-N 3.3Å; E409-L411 PolarHBondContact O-N 2.94Å; L411-F414 WeakPolarHBondContact O-CB 3.36Å; L411-F414 PolarHBondContact O-N 3Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.32Å; L411-L415 PolarHBondContact O-N 3.46Å; L411-L450 HydrophobicContact CD1-CD2 4.2Å; L411-F470 HydrophobicContact CD2-CD2 3.77Å; L411-F470 HydrophobicContact CD2-CE2 3.87Å
412	R	96.7	Very high	94.3	Very high	95 Å²	95	67.1 Å²	67.1	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-47.7	173.1	169.7	179.1	175.8	-94	6.9	111.4	A408 E409 F414 L415 V416 V425 T427	A408-R412 WeakPolarHBondContact O-CB 3.47Å; A408-R412 PolarHBondContact O-N 3.35Å; E409-R412 WeakPolarHBondContact O-CB 3.46Å; E409-R412 PolarHBondContact O-N 2.95Å; R412-F414 VanDerWaalsContact C-N 3.28Å; R412-F414 PolarHBondContact O-N 2.96Å; R412-L415 CarbonylContact O-C 3.58Å; R412-L415 WeakPolarHBondContact O-CA 3.45Å; R412-L415 WeakPolarHBondContact O-CB 3.24Å; R412-L415 PolarHBondContact O-N 3.15Å; R412-V416 HydrophobicContact CG-CG2 4.19Å; R412-V416 WeakPolarHBondContact O-CG2 3.48Å; R412-V416 PolarHBondContact O-N 3.47Å; R412-V425 HydrophobicContact CB-CG1 4.07Å; R412-V425 HydrophobicContact CG-CB 4.24Å; R412-V425 HydrophobicContact CG-CG1 3.84Å; R412-V425 PolarHBondContact NE-O 3.31Å; R412-V425 VanDerWaalsContact NE-O 3.16Å; R412-T427 HydrophobicContact CB-CG2 3.69Å; R412-T427 HydrophobicContact CG-CG2 4.3Å
413	D	96.5	Very high	94.3	Very high	93 Å²	93	64 Å²	64	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-39	-179.2	-71.2	-11	0	0	0	111	E409 M410 L415 V416 A417	E409-D413 VanDerWaalsContact O-CG 3.28Å; E409-D413 PolarHBondContact O-N 2.98Å; M410-D413 PolarHBondContact O-N 2.98Å; D413-L415 VanDerWaalsContact C-N 3.35Å; D413-L415 PolarHBondContact O-N 3.27Å; D413-V416 PolarHBondContact O-N 2.98Å; D413-A417 VanDerWaalsContact O-CB 3.25Å; D413-A417 WeakPolarHBondContact O-CB 3.12Å; D413-A417 PolarHBondContact O-N 2.96Å
414	F	94.4	Very high	94.3	Very high	34 Å²	34	62.8 Å²	62.8	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-59.2	-45.8	170.6	179.6	-90.7	0	0	0	111.8	M410 L411 R412 A417 N418 Y419 F470 R475	M410-F414 PolarHBondContact O-N 3.32Å; L411-F414 WeakPolarHBondContact O-CB 3.36Å; L411-F414 PolarHBondContact O-N 3Å; R412-F414 VanDerWaalsContact C-N 3.28Å; R412-F414 PolarHBondContact O-N 2.96Å; F414-A417 PolarHBondContact O-N 3.24Å; F414-N418 PolarHBondContact O-N 2.79Å; F414-N418 PolarHBondContact O-ND2 3.1Å; F414-Y419 HydrophobicContact CE1-CE2 4.21Å; F414-F470 HydrophobicContact CD1-CB 4.08Å; F414-F470 HydrophobicContact CD1-CD1 4.45Å; F414-F470 AromaticContact CD1-CD2 3.29Å; F414-F470 HydrophobicContact CD1-CD2 3.29Å; F414-F470 AromaticContact CD1-CE2 3.73Å; F414-F470 HydrophobicContact CD1-CE2 3.73Å; F414-F470 AromaticContact CD1-CG 3.7Å; F414-F470 HydrophobicContact CD1-CG 3.7Å; F414-F470 HydrophobicContact CD1-CZ 4.47Å; F414-F470 HydrophobicContact CE1-CB 3.56Å; F414-F470 AromaticContact CE1-CD1 3.94Å; F414-F470 HydrophobicContact CE1-CD1 3.94Å; F414-F470 AromaticContact CE1-CD2 3.56Å; F414-F470 HydrophobicContact CE1-CD2 3.56Å; F414-F470 HydrophobicContact CE1-CE2 4.18Å; F414-F470 AromaticContact CE1-CG 3.41Å; F414-F470 HydrophobicContact CE1-CG 3.41Å; F414-F470 VanDerWaalsContact CE1-CG 3.41Å; F414-F470 HydrophobicContact CE2-CB 4.4Å; F414-F470 HydrophobicContact CG-CD2 4.08Å; F414-F470 HydrophobicContact CZ-CB 3.76Å; F414-F470 HydrophobicContact CZ-CG 4.14Å; F414-R475 HydrophobicContact CZ-CG 4.37Å
415	L	95.6	Very high	94.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-44.4	179.7	-70.9	173.8	0	0	0	112.5	I397 V399 L411 R412 D413 A417 N418 Y419 V425 L450 F470 L478	I397-L415 HydrophobicContact CG2-CD1 4.18Å; V399-L415 HydrophobicContact CG2-CD1 3.77Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.32Å; L411-L415 PolarHBondContact O-N 3.46Å; R412-L415 CarbonylContact O-C 3.58Å; R412-L415 WeakPolarHBondContact O-CA 3.45Å; R412-L415 WeakPolarHBondContact O-CB 3.24Å; R412-L415 PolarHBondContact O-N 3.15Å; D413-L415 VanDerWaalsContact C-N 3.35Å; D413-L415 PolarHBondContact O-N 3.27Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 2.91Å; L415-N418 PolarHBondContact O-N 3.41Å; L415-Y419 HydrophobicContact CD2-CD2 3.82Å; L415-Y419 HydrophobicContact CD2-CE2 4.11Å; L415-Y419 WeakPolarHBondContact O-CA 3.17Å; L415-Y419 WeakPolarHBondContact O-CB 3.4Å; L415-Y419 PolarHBondContact O-N 3.32Å; L415-V425 HydrophobicContact CB-CG1 4.25Å; L415-V425 HydrophobicContact CB-CG2 3.96Å; L415-V425 HydrophobicContact CD1-CG1 3.77Å; L415-V425 HydrophobicContact CD1-CG2 4.42Å; L415-L450 HydrophobicContact CD1-CD1 4.38Å; L415-F470 HydrophobicContact CD2-CE1 4.42Å; L415-F470 HydrophobicContact CD2-CE2 4.04Å; L415-F470 HydrophobicContact CD2-CZ 3.64Å; L415-F470 HydrophobicContact CG-CE2 4.2Å; L415-F470 HydrophobicContact CG-CZ 4.23Å; L415-L478 HydrophobicContact CD2-CD2 3.28Å
416	V	95.2	Very high	94.6	Very high	60 Å²	60	58 Å²	58	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-42.7	177.6	171.4	0	0	0	0	110.6	R412 D413 N418 S420 V425	R412-V416 HydrophobicContact CG-CG2 4.19Å; R412-V416 WeakPolarHBondContact O-CG2 3.48Å; R412-V416 PolarHBondContact O-N 3.47Å; D413-V416 PolarHBondContact O-N 2.98Å; V416-N418 VanDerWaalsContact C-N 3.32Å; V416-N418 PolarHBondContact O-N 3.01Å; V416-S420 WeakPolarHBondContact O-CB 3.43Å; V416-S420 PolarHBondContact O-N 3.41Å; V416-S420 PolarHBondContact O-OG 3.39Å; V416-S420 VanDerWaalsContact O-OG 3.1Å; V416-V425 HydrophobicContact CG2-CB 4.35Å; V416-V425 HydrophobicContact CG2-CG2 4.47Å
417	A	94.2	Very high	94.6	Very high	78 Å²	78	50.4 Å²	50.4	65%	0.645	27%	0.268	S	S	*	.	H	α-helix	trans	-63	-36.3	179.4	0	0	0	0	0	113	D413 F414 L415	D413-A417 VanDerWaalsContact O-CB 3.25Å; D413-A417 WeakPolarHBondContact O-CB 3.12Å; D413-A417 PolarHBondContact O-N 2.96Å; F414-A417 PolarHBondContact O-N 3.24Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-A417 PolarHBondContact O-N 2.91Å
418	N	92.2	Very high	94.6	Very high	85 Å²	85	50.1 Å²	50.1	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-103.4	-23.4	-172.2	-66.8	-85.2	0	0	0	114.4	F414 L415 V416	F414-N418 PolarHBondContact O-N 2.79Å; F414-N418 PolarHBondContact O-ND2 3.1Å; L415-N418 PolarHBondContact O-N 3.41Å; V416-N418 VanDerWaalsContact C-N 3.32Å; V416-N418 PolarHBondContact O-N 3.01Å
419	Y	92.5	Very high	94.3	Very high	22 Å²	22	53.8 Å²	53.8	9%	0.086	29%	0.285	C	S	.	.	H	α-helix	trans	-133.2	11.1	-168.3	-54.3	-77.9	0	0	0	114.3	F414 L415 N421 W422 T423 R475 L478	F414-Y419 HydrophobicContact CE1-CE2 4.21Å; L415-Y419 HydrophobicContact CD2-CD2 3.82Å; L415-Y419 HydrophobicContact CD2-CE2 4.11Å; L415-Y419 WeakPolarHBondContact O-CA 3.17Å; L415-Y419 WeakPolarHBondContact O-CB 3.4Å; L415-Y419 PolarHBondContact O-N 3.32Å; Y419-N421 PolarHBondContact O-N 3.35Å; Y419-W422 AromaticContact CD1-CE3 3.67Å; Y419-W422 HydrophobicContact CD1-CE3 3.67Å; Y419-W422 AromaticContact CD1-CZ3 3.7Å; Y419-W422 HydrophobicContact CD1-CZ3 3.7Å; Y419-W422 HydrophobicContact CE1-CE3 4.45Å; Y419-W422 HydrophobicContact CE1-CZ3 4.09Å; Y419-W422 PolarHBondContact O-N 3.27Å; Y419-T423 PolarHBondContact O-N 3.07Å; Y419-T423 PolarHBondContact O-OG1 3.39Å; Y419-T423 VanDerWaalsContact O-OG1 3.07Å; Y419-R475 WeakPolarHBondContact OH-CB 3.29Å; Y419-L478 HydrophobicContact CD2-CD2 4.08Å; Y419-L478 HydrophobicContact CE2-CD2 3.78Å
420	S	89.4	Confident	93.9	Very high	52 Å²	52	57.1 Å²	57.1	36%	0.364	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.3	-177.6	46.6	0	0	0	0	115.6	K394 V416 W422	K394-S420 PolarHBondContact NZ-O 3.14Å; V416-S420 WeakPolarHBondContact O-CB 3.43Å; V416-S420 PolarHBondContact O-N 3.41Å; V416-S420 PolarHBondContact O-OG 3.39Å; V416-S420 VanDerWaalsContact O-OG 3.1Å; S420-W422 VanDerWaalsContact C-N 3.29Å
421	N	87.8	Confident	93.5	Very high	127 Å²	127	56.7 Å²	56.7	68%	0.679	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.1	174.7	-71.8	-24.8	0	0	0	112.7	K394 Y419	K394-N421 WeakPolarHBondContact CE-O 3.3Å; Y419-N421 PolarHBondContact O-N 3.35Å
422	W	89.9	Confident	93.2	Very high	72 Å²	72	58.3 Å²	58.3	27%	0.273	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-16.5	-173.8	-54.9	-33.8	0	0	0	113.7	E389 K394 V395 Y419 S420 L479 I482	E389-W422 PolarHBondContact OE2-NE1 3.14Å; K394-W422 CarbonylContact C-O 3.56Å; K394-W422 WeakPolarHBondContact CA-O 3.3Å; V395-W422 PolarHBondContact N-O 2.74Å; Y419-W422 AromaticContact CD1-CE3 3.67Å; Y419-W422 HydrophobicContact CD1-CE3 3.67Å; Y419-W422 AromaticContact CD1-CZ3 3.7Å; Y419-W422 HydrophobicContact CD1-CZ3 3.7Å; Y419-W422 HydrophobicContact CE1-CE3 4.45Å; Y419-W422 HydrophobicContact CE1-CZ3 4.09Å; Y419-W422 PolarHBondContact O-N 3.27Å; S420-W422 VanDerWaalsContact C-N 3.29Å; W422-L479 HydrophobicContact CE3-CD1 4.01Å; W422-L479 HydrophobicContact CH2-CD1 4.08Å; W422-L479 HydrophobicContact CZ3-CD1 3.49Å; W422-L479 VanDerWaalsContact CZ3-CD1 3.49Å; W422-I482 HydrophobicContact CB-CG2 4.18Å
423	T	93.7	Very high	92.7	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155	-170.3	65.3	0	0	0	0	113.6	V395 I397 Y419 V425 I482	V395-T423 CarbonylContact O-C 3.5Å; V395-T423 WeakPolarHBondContact O-CA 3.23Å; I397-T423 HydrophobicContact CD1-CG2 3.54Å; I397-T423 HydrophobicContact CG1-CG2 4.24Å; Y419-T423 PolarHBondContact O-N 3.07Å; Y419-T423 PolarHBondContact O-OG1 3.39Å; Y419-T423 VanDerWaalsContact O-OG1 3.07Å; T423-V425 WeakPolarHBondContact OG1-CG2 3.19Å; T423-I482 HydrophobicContact CG2-CD1 3.58Å; T423-I482 HydrophobicContact CG2-CG1 4.23Å
424	I	95.6	Very high	92.3	Very high	73 Å²	73	61.1 Å²	61.1	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	163.4	-61.4	168.8	0	0	0	105	K394 V395 T396 I397	K394-I424 HydrophobicContact CB-CD1 4.08Å; K394-I424 HydrophobicContact CB-CG1 3.94Å; K394-I424 HydrophobicContact CD-CD1 4.43Å; K394-I424 HydrophobicContact CD-CG1 3.93Å; V395-I424 PolarHBondContact O-N 3.26Å; T396-I424 CarbonylContact C-O 3.58Å; T396-I424 WeakPolarHBondContact CA-O 3.33Å; T396-I424 HydrophobicContact CG2-CB 4.41Å; I397-I424 PolarHBondContact N-O 2.96Å
425	V	96.7	Very high	92.1	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120	-166.7	-169.1	0	0	0	0	111.1	I397 V399 R412 L415 V416 T423	I397-V425 HydrophobicContact CB-CG1 4.4Å; I397-V425 HydrophobicContact CB-CG2 4.36Å; I397-V425 WeakPolarHBondContact O-CA 3.45Å; V399-V425 HydrophobicContact CG2-CG1 3.7Å; R412-V425 HydrophobicContact CB-CG1 4.07Å; R412-V425 HydrophobicContact CG-CB 4.24Å; R412-V425 HydrophobicContact CG-CG1 3.84Å; R412-V425 PolarHBondContact NE-O 3.31Å; R412-V425 VanDerWaalsContact NE-O 3.16Å; L415-V425 HydrophobicContact CB-CG1 4.25Å; L415-V425 HydrophobicContact CB-CG2 3.96Å; L415-V425 HydrophobicContact CD1-CG1 3.77Å; L415-V425 HydrophobicContact CD1-CG2 4.42Å; V416-V425 HydrophobicContact CG2-CB 4.35Å; V416-V425 HydrophobicContact CG2-CG2 4.47Å; T423-V425 WeakPolarHBondContact OG1-CG2 3.19Å
426	D	96.6	Very high	91.9	Very high	69 Å²	69	62 Å²	62	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	163	175.6	-64.2	-50.2	0	0	0	110.6	I397 V399 Y446	I397-D426 PolarHBondContact O-N 2.98Å; V399-D426 PolarHBondContact N-O 3.46Å; D426-Y446 HydrophobicContact CB-CE1 4.1Å
427	T	96.3	Very high	91.6	Very high	20 Å²	20	62.3 Å²	62.3	12%	0.123	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.1	179.4	50.8	0	0	0	0	110.8	H398 V399 A408 R412 N429	H398-T427 VanDerWaalsContact CE1-C 3.46Å; V399-T427 HydrophobicContact CB-CG2 4.16Å; A408-T427 HydrophobicContact CB-CG2 3.95Å; R412-T427 HydrophobicContact CB-CG2 3.69Å; R412-T427 HydrophobicContact CG-CG2 4.3Å; T427-N429 PolarHBondContact O-N 2.95Å; T427-N429 PolarHBondContact O-ND2 2.88Å; T427-N429 PolarHBondContact O-OD1 3.1Å; T427-N429 PolarHBondContact OG1-OD1 3.01Å
428	F	95.5	Very high	91.4	Very high	18 Å²	18	65 Å²	65	8%	0.079	37%	0.367	C	S	.	.			trans	-71.6	119.5	165.6	-172.2	-110.9	0	0	0	108.9	H398 V399 V400 E430 V432 V435 D439 F443	H398-F428 VanDerWaalsContact NE2-CA 3.33Å; H398-F428 WeakPolarHBondContact NE2-CA 3.38Å; H398-F428 WeakPolarHBondContact NE2-CB 3.34Å; H398-F428 AromaticContact NE2-CD2 3.8Å; H398-F428 PolarHBondContact NE2-N 2.94Å; V399-F428 PolarHBondContact O-N 2.93Å; V400-F428 HydrophobicContact CB-CB 4.43Å; V400-F428 HydrophobicContact CG1-CB 4.46Å; V400-F428 HydrophobicContact CG1-CD1 4.35Å; V400-F428 HydrophobicContact CG2-CB 3.96Å; F428-E430 HydrophobicContact CD1-CB 4.49Å; F428-E430 VanDerWaalsContact CD1-O 3.3Å; F428-E430 WeakPolarHBondContact CD1-O 3.34Å; F428-E430 HydrophobicContact CE1-CB 3.72Å; F428-E430 WeakPolarHBondContact CE1-O 3.46Å; F428-E430 HydrophobicContact CE2-CB 4.22Å; F428-E430 HydrophobicContact CZ-CB 3.58Å; F428-E430 HydrophobicContact CZ-CG 4.4Å; F428-V432 HydrophobicContact CD1-CG2 4.22Å; F428-V432 HydrophobicContact CE1-CG2 4.5Å; F428-V435 HydrophobicContact CD1-CG2 4.39Å; F428-V435 HydrophobicContact CE1-CG2 3.48Å; F428-V435 VanDerWaalsContact CE1-CG2 3.48Å; F428-V435 HydrophobicContact CZ-CG2 3.62Å; F428-D439 HydrophobicContact CE2-CB 4.26Å; F428-D439 WeakPolarHBondContact CE2-OD1 3.32Å; F428-F443 HydrophobicContact CB-CE1 4.48Å; F428-F443 AromaticContact CD2-CE1 3.56Å; F428-F443 HydrophobicContact CD2-CE1 3.56Å; F428-F443 AromaticContact CD2-CZ 3.7Å; F428-F443 HydrophobicContact CD2-CZ 3.7Å; F428-F443 AromaticContact CE2-CE1 3.97Å; F428-F443 HydrophobicContact CE2-CE1 3.97Å; F428-F443 AromaticContact CE2-CZ 3.86Å; F428-F443 HydrophobicContact CE2-CZ 3.86Å; F428-F443 HydrophobicContact CG-CE1 4.14Å; F428-F443 HydrophobicContact CG-CZ 4.02Å; F428-F443 HydrophobicContact CZ-CZ 4.31Å
429	N	90.2	Very high	91.5	Very high	79 Å²	79	63.1 Å²	63.1	42%	0.422	36%	0.356	S	S	.	.			trans	-99.9	-10.2	-170.2	-64.8	-45.7	0	0	0	113.7	T427	T427-N429 PolarHBondContact O-N 2.95Å; T427-N429 PolarHBondContact O-ND2 2.88Å; T427-N429 PolarHBondContact O-OD1 3.1Å; T427-N429 PolarHBondContact OG1-OD1 3.01Å
430	E	90.2	Very high	91.6	Very high	127 Å²	127	64.1 Å²	64.1	59%	0.593	36%	0.361	S	S	*	.	S	Bend	trans	-88.8	161.7	179.5	-62.2	-57.3	142.9	0	0	111.8	F428 V432	F428-E430 HydrophobicContact CD1-CB 4.49Å; F428-E430 VanDerWaalsContact CD1-O 3.3Å; F428-E430 WeakPolarHBondContact CD1-O 3.34Å; F428-E430 HydrophobicContact CE1-CB 3.72Å; F428-E430 WeakPolarHBondContact CE1-O 3.46Å; F428-E430 HydrophobicContact CE2-CB 4.22Å; F428-E430 HydrophobicContact CZ-CB 3.58Å; F428-E430 HydrophobicContact CZ-CG 4.4Å; E430-V432 PolarHBondContact O-N 2.79Å
431	P	88.5	Confident	91.7	Very high	69 Å²	69	68.3 Å²	68.3	45%	0.448	38%	0.375	S	S	.	.			trans	-62.2	121.3	175.4	-20.8	33	0	0	0	111	I433 S434	P431-I433 HydrophobicContact CB-CD1 4.49Å; P431-I433 HydrophobicContact CB-CG1 3.82Å; P431-I433 PolarHBondContact O-N 3.19Å; P431-S434 WeakPolarHBondContact O-CB 3.42Å; P431-S434 PolarHBondContact O-N 2.84Å
432	V	89.3	Confident	91.9	Very high	35 Å²	35	65.5 Å²	65.5	21%	0.212	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-55.6	-28.2	-179.5	177.3	0	0	0	0	113.1	V400 S401 D402 F428 E430 S434 V435	V400-V432 HydrophobicContact CG1-CG1 4.33Å; V400-V432 HydrophobicContact CG1-CG2 3.76Å; S401-V432 VanDerWaalsContact O-CG2 3.22Å; S401-V432 WeakPolarHBondContact O-CG2 3.49Å; D402-V432 HydrophobicContact CB-CB 4.45Å; D402-V432 HydrophobicContact CB-CG1 4.36Å; F428-V432 HydrophobicContact CD1-CG2 4.22Å; F428-V432 HydrophobicContact CE1-CG2 4.5Å; E430-V432 PolarHBondContact O-N 2.79Å; V432-S434 PolarHBondContact O-N 2.91Å; V432-V435 HydrophobicContact CB-CG2 4.43Å; V432-V435 HydrophobicContact CG1-CG2 4.27Å; V432-V435 WeakPolarHBondContact O-CB 3.42Å; V432-V435 WeakPolarHBondContact O-CG2 3.45Å; V432-V435 PolarHBondContact O-N 3.33Å
433	I	87.3	Confident	92.2	Very high	166 Å²	166	62.1 Å²	62.1	85%	0.851	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.6	174.6	58.9	169.1	0	0	0	114.2	P431	P431-I433 HydrophobicContact CB-CD1 4.49Å; P431-I433 HydrophobicContact CB-CG1 3.82Å; P431-I433 PolarHBondContact O-N 3.19Å
434	S	87.6	Confident	92.2	Very high	81 Å²	81	64.8 Å²	64.8	57%	0.566	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-102.4	3.7	-178.8	-47.9	0	0	0	0	112.6	P431 V432 G436	P431-S434 WeakPolarHBondContact O-CB 3.42Å; P431-S434 PolarHBondContact O-N 2.84Å; V432-S434 PolarHBondContact O-N 2.91Å; S434-G436 PolarHBondContact O-N 2.88Å
435	V	91	Very high	92.1	Very high	27 Å²	27	66 Å²	66	16%	0.164	38%	0.377	C	S	.	.			trans	-59.7	128.3	-178.7	172.7	0	0	0	0	109.9	F428 V432 D439 F440 F443 I455	F428-V435 HydrophobicContact CD1-CG2 4.39Å; F428-V435 HydrophobicContact CE1-CG2 3.48Å; F428-V435 VanDerWaalsContact CE1-CG2 3.48Å; F428-V435 HydrophobicContact CZ-CG2 3.62Å; V432-V435 HydrophobicContact CB-CG2 4.43Å; V432-V435 HydrophobicContact CG1-CG2 4.27Å; V432-V435 WeakPolarHBondContact O-CB 3.42Å; V432-V435 WeakPolarHBondContact O-CG2 3.45Å; V432-V435 PolarHBondContact O-N 3.33Å; V435-D439 WeakPolarHBondContact CA-OD2 3.43Å; V435-D439 HydrophobicContact CG1-CB 3.94Å; V435-F440 HydrophobicContact CG1-CD1 3.81Å; V435-F440 HydrophobicContact CG1-CE1 3.21Å; V435-F440 HydrophobicContact CG1-CZ 3.93Å; V435-F443 HydrophobicContact CG1-CE2 3.93Å; V435-F443 HydrophobicContact CG1-CZ 4.42Å; V435-I455 HydrophobicContact CG1-CG2 4.22Å
436	G	90.2	Very high	92	Very high	27 Å²	27	67.3 Å²	67.3	28%	0.278	38%	0.381	S	S	.	.			trans	-127.4	-169.7	-177.4	0	0	0	0	0	113.6	S434 D438 D439 F440	S434-G436 PolarHBondContact O-N 2.88Å; G436-D438 VanDerWaalsContact C-N 3.33Å; G436-D438 PolarHBondContact O-N 3.41Å; G436-D439 PolarHBondContact N-OD2 3Å; G436-D439 PolarHBondContact O-N 3.49Å; G436-F440 WeakPolarHBondContact O-CD2 3.43Å; G436-F440 WeakPolarHBondContact O-CG 3.47Å; G436-F440 PolarHBondContact O-N 2.9Å
437	A	89.4	Confident	92	Very high	66 Å²	66	64.7 Å²	64.7	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-40.6	-178.2	0	0	0	0	0	112.8	D439 F440 E441	A437-D439 VanDerWaalsContact C-N 3.31Å; A437-D439 PolarHBondContact O-N 2.65Å; A437-F440 WeakPolarHBondContact O-CB 3.44Å; A437-F440 PolarHBondContact O-N 3.19Å; A437-F440 VanDerWaalsContact O-N 3.13Å; A437-E441 PolarHBondContact O-N 3.32Å; A437-E441 VanDerWaalsContact O-N 3.1Å
438	D	90.2	Very high	92	Very high	134 Å²	134	63.8 Å²	63.8	72%	0.717	36%	0.362	S	S	*	.	H	α-helix	trans	-63	-38.1	179.6	-60.6	-10.9	0	0	0	111.5	G436 E441 D442	G436-D438 VanDerWaalsContact C-N 3.33Å; G436-D438 PolarHBondContact O-N 3.41Å; D438-E441 PolarHBondContact O-N 3.12Å; D438-D442 PolarHBondContact O-N 3.08Å
439	D	93	Very high	92.1	Very high	45 Å²	45	62.9 Å²	62.9	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-35.4	175.5	-55.9	-61.2	0	0	0	111.6	F428 V435 G436 A437 E441 D442 F443	F428-D439 HydrophobicContact CE2-CB 4.26Å; F428-D439 WeakPolarHBondContact CE2-OD1 3.32Å; V435-D439 WeakPolarHBondContact CA-OD2 3.43Å; V435-D439 HydrophobicContact CG1-CB 3.94Å; G436-D439 PolarHBondContact N-OD2 3Å; G436-D439 PolarHBondContact O-N 3.49Å; A437-D439 VanDerWaalsContact C-N 3.31Å; A437-D439 PolarHBondContact O-N 2.65Å; D439-E441 VanDerWaalsContact C-N 3.33Å; D439-D442 PolarHBondContact O-N 3.42Å; D439-F443 HydrophobicContact CB-CE1 4.43Å; D439-F443 HydrophobicContact CB-CE2 4.36Å; D439-F443 HydrophobicContact CB-CZ 4.11Å; D439-F443 WeakPolarHBondContact O-CB 3.47Å; D439-F443 WeakPolarHBondContact O-CD1 3.48Å; D439-F443 WeakPolarHBondContact O-CG 3.38Å; D439-F443 PolarHBondContact O-N 2.85Å
440	F	94.4	Very high	92.5	Very high	44 Å²	44	59.1 Å²	59.1	19%	0.193	34%	0.338	C	S	.	.	H	α-helix	trans	-66.3	-35.7	176.4	-61.4	-25.3	0	0	0	112.6	V435 G436 A437 F443 S444 I455 K456 Y458	V435-F440 HydrophobicContact CG1-CD1 3.81Å; V435-F440 HydrophobicContact CG1-CE1 3.21Å; V435-F440 HydrophobicContact CG1-CZ 3.93Å; G436-F440 WeakPolarHBondContact O-CD2 3.43Å; G436-F440 WeakPolarHBondContact O-CG 3.47Å; G436-F440 PolarHBondContact O-N 2.9Å; A437-F440 WeakPolarHBondContact O-CB 3.44Å; A437-F440 PolarHBondContact O-N 3.19Å; A437-F440 VanDerWaalsContact O-N 3.13Å; F440-F443 HydrophobicContact CD1-CD2 4.1Å; F440-F443 HydrophobicContact CD1-CE2 4.34Å; F440-S444 WeakPolarHBondContact O-CB 3.29Å; F440-S444 PolarHBondContact O-N 3.06Å; F440-I455 HydrophobicContact CE1-CG2 3.9Å; F440-K456 WeakPolarHBondContact CZ-O 3.43Å; F440-Y458 HydrophobicContact CB-CD2 3.75Å; F440-Y458 HydrophobicContact CB-CE2 4.16Å; F440-Y458 AromaticContact CD1-CD2 3.67Å; F440-Y458 HydrophobicContact CD1-CD2 3.67Å; F440-Y458 HydrophobicContact CD1-CG 4Å; F440-Y458 HydrophobicContact CE1-CD2 4.45Å; F440-Y458 HydrophobicContact CE1-CG 4.4Å; F440-Y458 AromaticContact CG-CD2 3.8Å; F440-Y458 HydrophobicContact CG-CD2 3.8Å; F440-Y458 WeakPolarHBondContact O-CE2 3.33Å
441	E	92.3	Very high	92.8	Very high	139 Å²	139	53.2 Å²	53.2	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-46.2	172.5	-69.5	-173.1	-178.9	0	0	110.4	A437 D438 D439 S444	A437-E441 PolarHBondContact O-N 3.32Å; A437-E441 VanDerWaalsContact O-N 3.1Å; D438-E441 PolarHBondContact O-N 3.12Å; D439-E441 VanDerWaalsContact C-N 3.33Å; E441-S444 PolarHBondContact O-N 3.45Å; E441-S444 PolarHBondContact O-OG 3.48Å
442	D	92.8	Very high	93.1	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-48.2	175.1	-176	65.3	0	0	0	112	D438 D439 S444 T445 Y446	D438-D442 PolarHBondContact O-N 3.08Å; D439-D442 PolarHBondContact O-N 3.42Å; D442-S444 PolarHBondContact O-N 3.18Å; D442-T445 WeakPolarHBondContact O-CB 3.48Å; D442-T445 PolarHBondContact O-N 3.35Å; D442-T445 PolarHBondContact O-OG1 3.48Å; D442-Y446 WeakPolarHBondContact O-CD2 3.39Å
443	F	95.2	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-33.5	178	-67.8	-5.5	0	0	0	112.9	H398 V400 F428 V435 D439 F440 T445 Y446 V449 I455 Y458 N462	H398-F443 AromaticContact CD2-CD1 3.66Å; H398-F443 AromaticContact CD2-CE1 3.5Å; H398-F443 AromaticContact NE2-CE1 3.81Å; V400-F443 HydrophobicContact CG1-CZ 4.48Å; V400-F443 HydrophobicContact CG2-CE1 4.03Å; V400-F443 HydrophobicContact CG2-CE2 4.14Å; V400-F443 HydrophobicContact CG2-CZ 3.78Å; F428-F443 HydrophobicContact CB-CE1 4.48Å; F428-F443 AromaticContact CD2-CE1 3.56Å; F428-F443 HydrophobicContact CD2-CE1 3.56Å; F428-F443 AromaticContact CD2-CZ 3.7Å; F428-F443 HydrophobicContact CD2-CZ 3.7Å; F428-F443 AromaticContact CE2-CE1 3.97Å; F428-F443 HydrophobicContact CE2-CE1 3.97Å; F428-F443 AromaticContact CE2-CZ 3.86Å; F428-F443 HydrophobicContact CE2-CZ 3.86Å; F428-F443 HydrophobicContact CG-CE1 4.14Å; F428-F443 HydrophobicContact CG-CZ 4.02Å; F428-F443 HydrophobicContact CZ-CZ 4.31Å; V435-F443 HydrophobicContact CG1-CE2 3.93Å; V435-F443 HydrophobicContact CG1-CZ 4.42Å; D439-F443 HydrophobicContact CB-CE1 4.43Å; D439-F443 HydrophobicContact CB-CE2 4.36Å; D439-F443 HydrophobicContact CB-CZ 4.11Å; D439-F443 WeakPolarHBondContact O-CB 3.47Å; D439-F443 WeakPolarHBondContact O-CD1 3.48Å; D439-F443 WeakPolarHBondContact O-CG 3.38Å; D439-F443 PolarHBondContact O-N 2.85Å; F440-F443 HydrophobicContact CD1-CD2 4.1Å; F440-F443 HydrophobicContact CD1-CE2 4.34Å; F443-T445 PolarHBondContact O-N 2.92Å; F443-Y446 PolarHBondContact O-N 3.28Å; F443-V449 HydrophobicContact CB-CG2 3.82Å; F443-V449 HydrophobicContact CG-CG2 4.43Å; F443-V449 VanDerWaalsContact O-CG2 3.28Å; F443-V449 WeakPolarHBondContact O-CG2 3.35Å; F443-I455 HydrophobicContact CD2-CD1 4.4Å; F443-I455 HydrophobicContact CE2-CD1 4.21Å; F443-I455 HydrophobicContact CE2-CG2 4.47Å; F443-Y458 HydrophobicContact CB-CE1 4.2Å; F443-Y458 HydrophobicContact CB-CE2 3.9Å; F443-Y458 PolarHBondContact O-OH 3.35Å; F443-N462 PolarHBondContact O-ND2 2.98Å
444	S	93.1	Very high	93.6	Very high	63 Å²	63	49.2 Å²	49.2	44%	0.441	29%	0.291	S	S	.	.	H	α-helix	trans	-70.4	-16.4	178.5	79.3	0	0	0	0	113.8	F440 E441 D442 Y458	F440-S444 WeakPolarHBondContact O-CB 3.29Å; F440-S444 PolarHBondContact O-N 3.06Å; E441-S444 PolarHBondContact O-N 3.45Å; E441-S444 PolarHBondContact O-OG 3.48Å; D442-S444 PolarHBondContact O-N 3.18Å; S444-Y458 WeakPolarHBondContact CA-OH 3.31Å; S444-Y458 PolarHBondContact N-OH 2.92Å
445	T	93.9	Very high	93.8	Very high	97 Å²	97	45.9 Å²	45.9	60%	0.595	27%	0.267	S	S	*	.	H	α-helix	trans	-79.7	-21.1	177	73.5	0	0	0	0	113.2	D442 F443	D442-T445 WeakPolarHBondContact O-CB 3.48Å; D442-T445 PolarHBondContact O-N 3.35Å; D442-T445 PolarHBondContact O-OG1 3.48Å; F443-T445 PolarHBondContact O-N 2.92Å
446	Y	95.9	Very high	93.8	Very high	39 Å²	39	54.1 Å²	54.1	15%	0.153	30%	0.3	C	S	.	.	S	Bend	trans	-82.2	147.3	177.9	-69.7	-100	0	0	0	111.3	H398 D426 D442 F443 I448 N462	H398-Y446 HydrophobicContact CB-CD1 3.7Å; H398-Y446 HydrophobicContact CB-CD2 3.81Å; H398-Y446 HydrophobicContact CB-CE1 3.9Å; H398-Y446 HydrophobicContact CB-CE2 4.01Å; H398-Y446 HydrophobicContact CB-CG 3.65Å; H398-Y446 AromaticContact CG-CE2 3.89Å; H398-Y446 AromaticContact CG-CZ 3.87Å; H398-Y446 AromaticContact ND1-CE1 3.73Å; H398-Y446 AromaticContact ND1-CE2 3.76Å; H398-Y446 AromaticContact ND1-CZ 3.35Å; H398-Y446 VanDerWaalsContact ND1-CZ 3.35Å; H398-Y446 PolarHBondContact ND1-OH 2.69Å; D426-Y446 HydrophobicContact CB-CE1 4.1Å; D442-Y446 WeakPolarHBondContact O-CD2 3.39Å; F443-Y446 PolarHBondContact O-N 3.28Å; Y446-I448 VanDerWaalsContact C-N 3.28Å; Y446-I448 PolarHBondContact O-N 2.98Å; Y446-N462 PolarHBondContact O-ND2 3.07Å
447	D	95.6	Very high	93.9	Very high	14 Å²	14	55.6 Å²	55.6	8%	0.075	32%	0.315	C	S	.	.	S	Bend	trans	-64.8	-36.7	174.4	-65.3	-57.9	0	0	0	111.3	R393 V395 T396 N462 H485	R393-D447 IonicContact CZ-OD1 3.62Å; R393-D447 IonicContact CZ-OD2 3.7Å; R393-D447 VanDerWaalsContact CZ-OD2 3.27Å; R393-D447 IonicContact NH1-OD1 2.63Å; R393-D447 PolarHBondContact NH1-OD1 3.03Å; R393-D447 IonicContact NH1-OD2 3.63Å; R393-D447 PolarHBondContact NH1-OD2 2.83Å; R393-D447 IonicContact NH2-OD1 2.76Å; R393-D447 PolarHBondContact NH2-OD1 3.33Å; R393-D447 IonicContact NH2-OD2 2.76Å; R393-D447 PolarHBondContact NH2-OD2 2.9Å; V395-D447 VanDerWaalsContact CA-OD2 3.32Å; V395-D447 WeakPolarHBondContact CA-OD2 3.41Å; V395-D447 HydrophobicContact CB-CB 4.5Å; V395-D447 HydrophobicContact CG1-CB 3.49Å; V395-D447 VanDerWaalsContact CG1-CB 3.49Å; T396-D447 PolarHBondContact N-OD2 2.84Å; T396-D447 WeakPolarHBondContact O-CB 3.39Å; T396-D447 PolarHBondContact O-N 3.2Å; T396-D447 PolarHBondContact OG1-N 3.11Å; T396-D447 PolarHBondContact OG1-OD2 3.48Å; D447-N462 WeakPolarHBondContact O-CB 3.38Å; D447-H485 PolarHBondContact O-CE1 3.28Å; D447-H485 PolarHBondContact O-NE2 3.41Å; D447-H485 VanDerWaalsContact O-NE2 3.15Å; D447-H485 IonicContact OD1-ND1 3.2Å
448	I	97.2	Very high	94	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132	179.4	-56.2	176.3	0	0	0	110	V395 T396 I397 H398 Y446 N462 L464 L478 F481 I482	V395-I448 HydrophobicContact CG1-CD1 3.61Å; V395-I448 HydrophobicContact CG1-CG1 3.8Å; T396-I448 PolarHBondContact O-N 3.23Å; I397-I448 CarbonylContact C-O 3.19Å; I397-I448 VanDerWaalsContact CA-O 3.27Å; I397-I448 WeakPolarHBondContact CA-O 3.42Å; I397-I448 HydrophobicContact CD1-CD1 4.42Å; I397-I448 HydrophobicContact CG1-CB 4.19Å; I397-I448 HydrophobicContact CG1-CD1 4.47Å; I397-I448 HydrophobicContact CG2-CB 4.45Å; I397-I448 HydrophobicContact CG2-CG2 4.43Å; H398-I448 PolarHBondContact N-O 2.91Å; Y446-I448 VanDerWaalsContact C-N 3.28Å; Y446-I448 PolarHBondContact O-N 2.98Å; I448-N462 CarbonylContact C-O 3.59Å; I448-N462 WeakPolarHBondContact CA-O 3.39Å; I448-L464 HydrophobicContact CG2-CB 4.13Å; I448-L478 HydrophobicContact CD1-CD1 4.19Å; I448-F481 HydrophobicContact CB-CD1 4.4Å; I448-F481 HydrophobicContact CB-CE1 4.38Å; I448-F481 HydrophobicContact CD1-CB 4.33Å; I448-F481 HydrophobicContact CD1-CD1 3.66Å; I448-F481 HydrophobicContact CD1-CE1 4.36Å; I448-F481 HydrophobicContact CD1-CG 4.29Å; I448-F481 HydrophobicContact CG1-CD1 3.68Å; I448-F481 HydrophobicContact CG1-CE1 3.86Å; I448-F481 HydrophobicContact CG2-CD1 3.93Å; I448-F481 HydrophobicContact CG2-CE1 4.02Å; I448-I482 HydrophobicContact CD1-CG1 3.89Å
449	V	97.5	Very high	94	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.3	166.3	179.4	0	0	0	0	107.6	H398 V400 F443 I455 Y458 N462 V463 L464	H398-V449 CarbonylContact O-C 3.53Å; H398-V449 WeakPolarHBondContact O-CA 3.42Å; V400-V449 HydrophobicContact CG2-CG1 3.88Å; F443-V449 HydrophobicContact CB-CG2 3.82Å; F443-V449 HydrophobicContact CG-CG2 4.43Å; F443-V449 VanDerWaalsContact O-CG2 3.28Å; F443-V449 WeakPolarHBondContact O-CG2 3.35Å; V449-I455 HydrophobicContact CG1-CD1 3.72Å; V449-Y458 HydrophobicContact CB-CE1 4.28Å; V449-Y458 HydrophobicContact CG1-CE1 4.45Å; V449-Y458 HydrophobicContact CG2-CE1 4.01Å; V449-N462 PolarHBondContact N-O 2.88Å; V449-V463 HydrophobicContact CB-CG2 4.36Å; V449-V463 CarbonylContact O-C 3.54Å; V449-V463 WeakPolarHBondContact O-CA 3.43Å; V449-L464 PolarHBondContact O-N 3.24Å
450	L	97.5	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120	-177.9	-171.4	134.5	0	0	0	109.7	I397 H398 V399 V400 L411 L415 L464 V466 F470 L478	I397-L450 HydrophobicContact CG2-CB 3.83Å; H398-L450 PolarHBondContact O-N 3.26Å; V399-L450 CarbonylContact C-O 3.6Å; V399-L450 WeakPolarHBondContact CA-O 3.22Å; V399-L450 HydrophobicContact CG1-CD2 4.27Å; V399-L450 HydrophobicContact CG2-CD2 4.45Å; V400-L450 PolarHBondContact N-O 3.1Å; L411-L450 HydrophobicContact CD1-CD2 4.2Å; L415-L450 HydrophobicContact CD1-CD1 4.38Å; L450-L464 WeakPolarHBondContact CA-O 3.43Å; L450-L464 HydrophobicContact CD1-CD2 4.28Å; L450-V466 HydrophobicContact CD1-CG1 4Å; L450-V466 HydrophobicContact CD2-CG2 3.66Å; L450-V466 HydrophobicContact CG-CG1 4.15Å; L450-V466 HydrophobicContact CG-CG2 4.12Å; L450-F470 HydrophobicContact CD1-CE1 4.28Å; L450-F470 HydrophobicContact CD1-CZ 3.59Å; L450-F470 HydrophobicContact CD2-CE2 4.35Å; L450-F470 HydrophobicContact CD2-CZ 4.14Å; L450-F470 HydrophobicContact CG-CZ 4.48Å; L450-L478 HydrophobicContact CD1-CD1 4.18Å
451	S	96.4	Very high	93.7	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.3	-179.1	-164	0	0	0	0	113.3	V400 N453 L464 I465 V466	V400-S451 WeakPolarHBondContact O-CA 3.45Å; V400-S451 WeakPolarHBondContact O-CB 3.47Å; V400-S451 PolarHBondContact O-OG 2.88Å; S451-N453 VanDerWaalsContact C-N 3.32Å; S451-N453 WeakPolarHBondContact CB-O 3.37Å; S451-N453 PolarHBondContact OG-O 2.81Å; S451-L464 PolarHBondContact N-O 3.25Å; S451-I465 CarbonylContact O-C 3.6Å; S451-I465 VanDerWaalsContact O-CA 3.23Å; S451-I465 WeakPolarHBondContact O-CA 3.4Å; S451-V466 PolarHBondContact O-N 3.26Å
452	N	95	Very high	93.8	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.064	31%	0.308	C	S	.	.	S	Bend	trans	-85.7	-6.7	176.5	73.4	-58	0	0	0	113.1	S401 D402 V466 N468	S401-N452 VanDerWaalsContact CA-OD1 3.23Å; S401-N452 WeakPolarHBondContact CA-OD1 3.49Å; D402-N452 PolarHBondContact N-OD1 3.18Å; D402-N452 VanDerWaalsContact N-OD1 3.07Å; D402-N452 PolarHBondContact OD1-ND2 3.27Å; D402-N452 PolarHBondContact OD1-OD1 3.23Å; N452-V466 VanDerWaalsContact CA-O 3.29Å; N452-V466 WeakPolarHBondContact CA-O 3.43Å; N452-N468 PolarHBondContact ND2-OD1 3.47Å
453	N	93.9	Very high	94	Very high	79 Å²	79	54.5 Å²	54.5	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-154.1	151.6	179.3	-155.3	16.4	0	0	0	109.4	D402 S451 I455	D402-N453 WeakPolarHBondContact OD2-CB 3.4Å; D402-N453 PolarHBondContact OD2-ND2 2.8Å; S451-N453 VanDerWaalsContact C-N 3.32Å; S451-N453 WeakPolarHBondContact CB-O 3.37Å; S451-N453 PolarHBondContact OG-O 2.81Å; N453-I455 PolarHBondContact O-N 2.99Å
454	P	93.6	Very high	94	Very high	95 Å²	95	55.5 Å²	55.5	62%	0.617	31%	0.306	S	S	*	.			trans	-57.1	131.6	177.4	-27.9	38.3	0	0	0	112.9	K456	P454-K456 PolarHBondContact O-N 3.35Å
455	I	92.8	Very high	94.1	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.062	30%	0.302	C	S	.	.			trans	-82.9	112.7	178.2	-55.4	169.8	0	0	0	108.1	V400 V435 F440 F443 V449 N453 G457 Y458	V400-I455 HydrophobicContact CB-CD1 3.96Å; V400-I455 HydrophobicContact CG1-CD1 3.9Å; V400-I455 HydrophobicContact CG1-CG1 4.24Å; V400-I455 HydrophobicContact CG2-CD1 4.05Å; V435-I455 HydrophobicContact CG1-CG2 4.22Å; F440-I455 HydrophobicContact CE1-CG2 3.9Å; F443-I455 HydrophobicContact CD2-CD1 4.4Å; F443-I455 HydrophobicContact CE2-CD1 4.21Å; F443-I455 HydrophobicContact CE2-CG2 4.47Å; V449-I455 HydrophobicContact CG1-CD1 3.72Å; N453-I455 PolarHBondContact O-N 2.99Å; I455-G457 PolarHBondContact O-N 2.67Å; I455-G457 VanDerWaalsContact O-N 3.14Å; I455-Y458 HydrophobicContact CD1-CD1 4.47Å; I455-Y458 PolarHBondContact O-N 3.33Å; I455-Y458 VanDerWaalsContact O-N 3.1Å
456	K	90.1	Very high	94.2	Very high	200 Å²	200	51.5 Å²	51.5	87%	0.87	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	118.6	-177.2	-175.9	-176.5	179.2	-175.3	0	110.9	F440 P454	F440-K456 WeakPolarHBondContact CZ-O 3.43Å; P454-K456 PolarHBondContact O-N 3.35Å
457	G	91.4	Very high	94.1	Very high	58 Å²	58	54 Å²	54	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-3.1	178.5	0	0	0	0	0	114.9	I455	I455-G457 PolarHBondContact O-N 2.67Å; I455-G457 VanDerWaalsContact O-N 3.14Å
458	Y	93.4	Very high	94	Very high	19 Å²	19	57.1 Å²	57.1	8%	0.075	31%	0.308	C	S	.	.			trans	-117.5	98	178.2	-168.3	-105.1	0	0	0	110.8	F440 F443 S444 V449 I455 N460 N462 V463	F440-Y458 HydrophobicContact CB-CD2 3.75Å; F440-Y458 HydrophobicContact CB-CE2 4.16Å; F440-Y458 AromaticContact CD1-CD2 3.67Å; F440-Y458 HydrophobicContact CD1-CD2 3.67Å; F440-Y458 HydrophobicContact CD1-CG 4Å; F440-Y458 HydrophobicContact CE1-CD2 4.45Å; F440-Y458 HydrophobicContact CE1-CG 4.4Å; F440-Y458 AromaticContact CG-CD2 3.8Å; F440-Y458 HydrophobicContact CG-CD2 3.8Å; F440-Y458 WeakPolarHBondContact O-CE2 3.33Å; F443-Y458 HydrophobicContact CB-CE1 4.2Å; F443-Y458 HydrophobicContact CB-CE2 3.9Å; F443-Y458 PolarHBondContact O-OH 3.35Å; S444-Y458 WeakPolarHBondContact CA-OH 3.31Å; S444-Y458 PolarHBondContact N-OH 2.92Å; V449-Y458 HydrophobicContact CB-CE1 4.28Å; V449-Y458 HydrophobicContact CG1-CE1 4.45Å; V449-Y458 HydrophobicContact CG2-CE1 4.01Å; I455-Y458 HydrophobicContact CD1-CD1 4.47Å; I455-Y458 PolarHBondContact O-N 3.33Å; I455-Y458 VanDerWaalsContact O-N 3.1Å; Y458-N460 HydrophobicContact CD1-CB 4.35Å; Y458-N460 HydrophobicContact CE1-CB 3.69Å; Y458-N460 HydrophobicContact CE2-CB 3.94Å; Y458-N460 VanDerWaalsContact CZ-CB 3.44Å; Y458-N460 WeakPolarHBondContact OH-CB 3.21Å; Y458-N460 PolarHBondContact OH-ND2 2.98Å; Y458-N460 VanDerWaalsContact OH-ND2 3.12Å; Y458-N462 WeakPolarHBondContact CE1-OD1 3.5Å; Y458-N462 PolarHBondContact OH-ND2 2.86Å; Y458-N462 PolarHBondContact OH-OD1 3.28Å; Y458-V463 HydrophobicContact CD1-CG2 3.3Å; Y458-V463 HydrophobicContact CE1-CG2 3.27Å
459	E	88.4	Confident	93.8	Very high	190 Å²	190	63.5 Å²	63.5	89%	0.888	34%	0.336	S	S	*	.			trans	-110.7	34.6	-177.4	-62.3	-176.3	175.7	0	0	111.9
460	N	90.9	Very high	93.4	Very high	69 Å²	69	63.7 Å²	63.7	37%	0.369	34%	0.337	S	S	.	.			trans	-77.7	148.1	-179.2	-160.8	-20	0	0	0	111.1	Y458 N462 V463	Y458-N460 HydrophobicContact CD1-CB 4.35Å; Y458-N460 HydrophobicContact CE1-CB 3.69Å; Y458-N460 HydrophobicContact CE2-CB 3.94Å; Y458-N460 VanDerWaalsContact CZ-CB 3.44Å; Y458-N460 WeakPolarHBondContact OH-CB 3.21Å; Y458-N460 PolarHBondContact OH-ND2 2.98Å; Y458-N460 VanDerWaalsContact OH-ND2 3.12Å; N460-N462 WeakPolarHBondContact CB-OD1 3.28Å; N460-N462 PolarHBondContact O-N 2.95Å; N460-N462 VanDerWaalsContact O-N 3.11Å; N460-V463 WeakPolarHBondContact O-CG2 3.27Å; N460-V463 PolarHBondContact O-N 2.79Å
461	D	90.6	Very high	93	Very high	149 Å²	149	65.6 Å²	65.6	80%	0.797	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.1	-179	-68.9	-22.6	0	0	0	112.6	V463 F481	D461-V463 VanDerWaalsContact C-N 3.25Å; D461-V463 PolarHBondContact O-N 2.9Å; D461-F481 VanDerWaalsContact O-CZ 3.23Å; D461-F481 WeakPolarHBondContact O-CZ 3.36Å
462	N	94.9	Very high	92.4	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.059	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.8	177.2	79.1	-22.6	0	0	0	114.2	F443 Y446 D447 I448 V449 Y458 N460	F443-N462 PolarHBondContact O-ND2 2.98Å; Y446-N462 PolarHBondContact O-ND2 3.07Å; D447-N462 WeakPolarHBondContact O-CB 3.38Å; I448-N462 CarbonylContact C-O 3.59Å; I448-N462 WeakPolarHBondContact CA-O 3.39Å; V449-N462 PolarHBondContact N-O 2.88Å; Y458-N462 WeakPolarHBondContact CE1-OD1 3.5Å; Y458-N462 PolarHBondContact OH-ND2 2.86Å; Y458-N462 PolarHBondContact OH-OD1 3.28Å; N460-N462 WeakPolarHBondContact CB-OD1 3.28Å; N460-N462 PolarHBondContact O-N 2.95Å; N460-N462 VanDerWaalsContact O-N 3.11Å
463	V	95.8	Very high	91.9	Very high	35 Å²	35	71.8 Å²	71.8	21%	0.212	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.3	179.4	-179.1	0	0	0	0	111.5	V449 Y458 N460 D461 I465	V449-V463 HydrophobicContact CB-CG2 4.36Å; V449-V463 CarbonylContact O-C 3.54Å; V449-V463 WeakPolarHBondContact O-CA 3.43Å; Y458-V463 HydrophobicContact CD1-CG2 3.3Å; Y458-V463 HydrophobicContact CE1-CG2 3.27Å; N460-V463 WeakPolarHBondContact O-CG2 3.27Å; N460-V463 PolarHBondContact O-N 2.79Å; D461-V463 VanDerWaalsContact C-N 3.25Å; D461-V463 PolarHBondContact O-N 2.9Å; V463-I465 HydrophobicContact CG1-CD1 3.52Å; V463-I465 HydrophobicContact CG1-CG1 4.12Å
464	L	95.7	Very high	91.8	Very high	22 Å²	22	68.4 Å²	68.4	12%	0.115	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.2	167.7	-179.1	63.7	0	0	0	110.1	I448 V449 L450 S451 V466 N477 L478 F481	I448-L464 HydrophobicContact CG2-CB 4.13Å; V449-L464 PolarHBondContact O-N 3.24Å; L450-L464 WeakPolarHBondContact CA-O 3.43Å; L450-L464 HydrophobicContact CD1-CD2 4.28Å; S451-L464 PolarHBondContact N-O 3.25Å; L464-V466 HydrophobicContact CD2-CG1 4.34Å; L464-V466 HydrophobicContact CG-CG1 4.14Å; L464-N477 HydrophobicContact CD1-CB 4.17Å; L464-L478 HydrophobicContact CD2-CB 3.83Å; L464-L478 HydrophobicContact CD2-CD1 3.87Å; L464-L478 HydrophobicContact CD2-CG 4.47Å; L464-F481 HydrophobicContact CB-CD1 4.21Å; L464-F481 HydrophobicContact CB-CE1 4.44Å
465	I	95	Very high	91.7	Very high	71 Å²	71	68.7 Å²	68.7	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.2	174.3	-53.5	-56.2	0	0	0	110	S451 V463	S451-I465 CarbonylContact O-C 3.6Å; S451-I465 VanDerWaalsContact O-CA 3.23Å; S451-I465 WeakPolarHBondContact O-CA 3.4Å; V463-I465 HydrophobicContact CG1-CD1 3.52Å; V463-I465 HydrophobicContact CG1-CG1 4.12Å
466	V	95.6	Very high	91.4	Very high	5 Å²	5	74 Å²	74	3%	0.03	39%	0.394	C	S	.	.			trans	-124	166.8	179	-60.6	0	0	0	0	111.3	L450 S451 N452 L464 F470 D474	L450-V466 HydrophobicContact CD1-CG1 4Å; L450-V466 HydrophobicContact CD2-CG2 3.66Å; L450-V466 HydrophobicContact CG-CG1 4.15Å; L450-V466 HydrophobicContact CG-CG2 4.12Å; S451-V466 PolarHBondContact O-N 3.26Å; N452-V466 VanDerWaalsContact CA-O 3.29Å; N452-V466 WeakPolarHBondContact CA-O 3.43Å; L464-V466 HydrophobicContact CD2-CG1 4.34Å; L464-V466 HydrophobicContact CG-CG1 4.14Å; V466-F470 HydrophobicContact CG1-CE1 4.04Å; V466-F470 HydrophobicContact CG1-CZ 4.3Å; V466-D474 HydrophobicContact CB-CB 4.18Å; V466-D474 HydrophobicContact CG1-CB 4Å
467	N	94.4	Very high	91.3	Very high	90 Å²	90	67.7 Å²	67.7	48%	0.481	37%	0.37	S	S	.	.			trans	-71.4	160.7	170.5	-65.1	-79.6	0	0	0	111.4	F469 S471 D474	N467-F469 WeakPolarHBondContact CB-O 3.34Å; N467-F469 PolarHBondContact O-N 3.39Å; N467-S471 PolarHBondContact ND2-OG 3.06Å; N467-D474 WeakPolarHBondContact CB-OD2 3.45Å; N467-D474 PolarHBondContact N-OD2 3.13Å; N467-D474 PolarHBondContact ND2-OD1 2.9Å; N467-D474 PolarHBondContact ND2-OD2 3.17Å
468	N	94.7	Very high	91.4	Very high	80 Å²	80	65 Å²	65	43%	0.428	34%	0.342	S	S	.	.	S	Bend	trans	-54.8	-22.8	173.4	-62.9	-24	0	0	0	112.9	L403 H407 M410 N452	L403-N468 HydrophobicContact CD1-CB 4.03Å; L403-N468 VanDerWaalsContact CD1-CG 3.48Å; L403-N468 WeakPolarHBondContact CD1-OD1 3.48Å; H407-N468 PolarHBondContact NE2-O 3.28Å; M410-N468 WeakPolarHBondContact CE-O 3.42Å; N452-N468 PolarHBondContact ND2-OD1 3.47Å
469	F	92.9	Very high	91.3	Very high	135 Å²	135	67.1 Å²	67.1	59%	0.592	36%	0.355	S	S	*	.	S	Bend	trans	-132.1	134.1	165.7	-172.9	-97.2	0	0	0	109.1	N467 S471	N467-F469 WeakPolarHBondContact CB-O 3.34Å; N467-F469 PolarHBondContact O-N 3.39Å; F469-S471 PolarHBondContact O-N 3.1Å
470	F	88.6	Confident	91.2	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.018	34%	0.336	C	S	.	.			trans	-55.7	108.8	-176.5	-93.7	-87.4	0	0	0	112.3	L411 F414 L415 L450 V466 D474 R475 L478	L411-F470 HydrophobicContact CD2-CD2 3.77Å; L411-F470 HydrophobicContact CD2-CE2 3.87Å; F414-F470 HydrophobicContact CD1-CB 4.08Å; F414-F470 HydrophobicContact CD1-CD1 4.45Å; F414-F470 AromaticContact CD1-CD2 3.29Å; F414-F470 HydrophobicContact CD1-CD2 3.29Å; F414-F470 AromaticContact CD1-CE2 3.73Å; F414-F470 HydrophobicContact CD1-CE2 3.73Å; F414-F470 AromaticContact CD1-CG 3.7Å; F414-F470 HydrophobicContact CD1-CG 3.7Å; F414-F470 HydrophobicContact CD1-CZ 4.47Å; F414-F470 HydrophobicContact CE1-CB 3.56Å; F414-F470 AromaticContact CE1-CD1 3.94Å; F414-F470 HydrophobicContact CE1-CD1 3.94Å; F414-F470 AromaticContact CE1-CD2 3.56Å; F414-F470 HydrophobicContact CE1-CD2 3.56Å; F414-F470 HydrophobicContact CE1-CE2 4.18Å; F414-F470 AromaticContact CE1-CG 3.41Å; F414-F470 HydrophobicContact CE1-CG 3.41Å; F414-F470 VanDerWaalsContact CE1-CG 3.41Å; F414-F470 HydrophobicContact CE2-CB 4.4Å; F414-F470 HydrophobicContact CG-CD2 4.08Å; F414-F470 HydrophobicContact CZ-CB 3.76Å; F414-F470 HydrophobicContact CZ-CG 4.14Å; L415-F470 HydrophobicContact CD2-CE1 4.42Å; L415-F470 HydrophobicContact CD2-CE2 4.04Å; L415-F470 HydrophobicContact CD2-CZ 3.64Å; L415-F470 HydrophobicContact CG-CE2 4.2Å; L415-F470 HydrophobicContact CG-CZ 4.23Å; L450-F470 HydrophobicContact CD1-CE1 4.28Å; L450-F470 HydrophobicContact CD1-CZ 3.59Å; L450-F470 HydrophobicContact CD2-CE2 4.35Å; L450-F470 HydrophobicContact CD2-CZ 4.14Å; L450-F470 HydrophobicContact CG-CZ 4.48Å; V466-F470 HydrophobicContact CG1-CE1 4.04Å; V466-F470 HydrophobicContact CG1-CZ 4.3Å; F470-D474 HydrophobicContact CD1-CB 3.53Å; F470-D474 HydrophobicContact CE1-CB 4.04Å; F470-D474 HydrophobicContact CG-CB 4.41Å; F470-R475 HydrophobicContact CB-CG 4.5Å; F470-R475 HydrophobicContact CD1-CG 4.23Å; F470-L478 HydrophobicContact CE1-CD2 3.91Å; F470-L478 HydrophobicContact CZ-CD2 4.11Å
471	S	89.1	Confident	91.3	Very high	39 Å²	39	61.5 Å²	61.5	27%	0.273	33%	0.328	S	S	.	.			trans	-73.8	169.9	168.9	72.8	0	0	0	0	111.1	N467 F469 S473 D474 R475	N467-S471 PolarHBondContact ND2-OG 3.06Å; F469-S471 PolarHBondContact O-N 3.1Å; S471-S473 VanDerWaalsContact C-N 3.27Å; S471-S473 PolarHBondContact O-N 3.17Å; S471-S473 PolarHBondContact OG-N 3.39Å; S471-D474 VanDerWaalsContact CB-OD2 3.32Å; S471-D474 WeakPolarHBondContact CB-OD2 3.21Å; S471-D474 PolarHBondContact N-OD2 2.97Å; S471-D474 PolarHBondContact O-N 3.42Å; S471-D474 PolarHBondContact OG-N 2.82Å; S471-D474 VanDerWaalsContact OG-N 3.11Å; S471-D474 PolarHBondContact OG-OD2 3.29Å; S471-R475 WeakPolarHBondContact O-CG 3.5Å; S471-R475 PolarHBondContact O-N 3.2Å
472	A	83.9	Confident	91.3	Very high	81 Å²	81	54.4 Å²	54.4	67%	0.669	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-39.3	172.3	0	0	0	0	0	112	R475 E476	A472-R475 WeakPolarHBondContact O-CB 3.36Å; A472-R475 PolarHBondContact O-N 3.35Å; A472-E476 PolarHBondContact O-N 3.14Å; A472-E476 VanDerWaalsContact O-N 3.1Å
473	S	84.8	Confident	91	Very high	64 Å²	64	55.3 Å²	55.3	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176.1	-176.5	0	0	0	0	111.7	S471 R475 E476 N477	S471-S473 VanDerWaalsContact C-N 3.27Å; S471-S473 PolarHBondContact O-N 3.17Å; S471-S473 PolarHBondContact OG-N 3.39Å; S473-R475 VanDerWaalsContact C-N 3.28Å; S473-R475 PolarHBondContact O-N 3.1Å; S473-E476 PolarHBondContact O-N 3.43Å; S473-N477 WeakPolarHBondContact O-CB 3.33Å; S473-N477 VanDerWaalsContact O-CG 3.3Å; S473-N477 PolarHBondContact O-N 3.33Å; S473-N477 PolarHBondContact O-ND2 2.82Å
474	D	91.6	Very high	90.6	Very high	8 Å²	8	56 Å²	56	4%	0.043	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-37.6	178.5	-59.8	-39.9	0	0	0	111.6	V466 N467 F470 S471 L478	V466-D474 HydrophobicContact CB-CB 4.18Å; V466-D474 HydrophobicContact CG1-CB 4Å; N467-D474 WeakPolarHBondContact CB-OD2 3.45Å; N467-D474 PolarHBondContact N-OD2 3.13Å; N467-D474 PolarHBondContact ND2-OD1 2.9Å; N467-D474 PolarHBondContact ND2-OD2 3.17Å; F470-D474 HydrophobicContact CD1-CB 3.53Å; F470-D474 HydrophobicContact CE1-CB 4.04Å; F470-D474 HydrophobicContact CG-CB 4.41Å; S471-D474 VanDerWaalsContact CB-OD2 3.32Å; S471-D474 WeakPolarHBondContact CB-OD2 3.21Å; S471-D474 PolarHBondContact N-OD2 2.97Å; S471-D474 PolarHBondContact O-N 3.42Å; S471-D474 PolarHBondContact OG-N 2.82Å; S471-D474 VanDerWaalsContact OG-N 3.11Å; S471-D474 PolarHBondContact OG-OD2 3.29Å; D474-L478 WeakPolarHBondContact O-CB 3.23Å; D474-L478 PolarHBondContact O-N 3.3Å
475	R	91.1	Very high	90.2	Very high	100 Å²	100	57 Å²	57	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-44.3	176.7	-65.1	171.7	-165.6	-153.8	-0.4	111.7	F414 Y419 F470 S471 A472 S473 L479	F414-R475 HydrophobicContact CZ-CG 4.37Å; Y419-R475 WeakPolarHBondContact OH-CB 3.29Å; F470-R475 HydrophobicContact CB-CG 4.5Å; F470-R475 HydrophobicContact CD1-CG 4.23Å; S471-R475 WeakPolarHBondContact O-CG 3.5Å; S471-R475 PolarHBondContact O-N 3.2Å; A472-R475 WeakPolarHBondContact O-CB 3.36Å; A472-R475 PolarHBondContact O-N 3.35Å; S473-R475 VanDerWaalsContact C-N 3.28Å; S473-R475 PolarHBondContact O-N 3.1Å; R475-L479 WeakPolarHBondContact O-CB 3.49Å; R475-L479 PolarHBondContact O-N 2.88Å
476	E	85.9	Confident	90	Very high	123 Å²	123	54.1 Å²	54.1	58%	0.575	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-47.5	177	-174.2	-179.2	174.4	0	0	111.3	A472 S473 L478 L479 N480	A472-E476 PolarHBondContact O-N 3.14Å; A472-E476 VanDerWaalsContact O-N 3.1Å; S473-E476 PolarHBondContact O-N 3.43Å; E476-L478 PolarHBondContact O-N 2.82Å; E476-L479 PolarHBondContact O-N 2.69Å; E476-N480 WeakPolarHBondContact O-CB 3.32Å; E476-N480 PolarHBondContact O-N 3.11Å; E476-N480 PolarHBondContact O-ND2 3.44Å
477	N	88.9	Confident	89.4	Confident	69 Å²	69	56.4 Å²	56.4	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-45.9	177.9	-71.7	-28.5	0	0	0	111.5	L464 S473 L479 N480 F481	L464-N477 HydrophobicContact CD1-CB 4.17Å; S473-N477 WeakPolarHBondContact O-CB 3.33Å; S473-N477 VanDerWaalsContact O-CG 3.3Å; S473-N477 PolarHBondContact O-N 3.33Å; S473-N477 PolarHBondContact O-ND2 2.82Å; N477-L479 PolarHBondContact O-N 3.35Å; N477-N480 PolarHBondContact O-N 3.31Å; N477-F481 VanDerWaalsContact O-CB 3.31Å; N477-F481 WeakPolarHBondContact O-CB 3.08Å; N477-F481 PolarHBondContact O-N 3.47Å
478	L	93.8	Very high	88.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-46.2	176.3	175.8	63.8	0	0	0	111.7	I397 L415 Y419 I448 L450 L464 F470 D474 E476 N480 F481 I482	I397-L478 HydrophobicContact CD1-CD1 4Å; L415-L478 HydrophobicContact CD2-CD2 3.28Å; Y419-L478 HydrophobicContact CD2-CD2 4.08Å; Y419-L478 HydrophobicContact CE2-CD2 3.78Å; I448-L478 HydrophobicContact CD1-CD1 4.19Å; L450-L478 HydrophobicContact CD1-CD1 4.18Å; L464-L478 HydrophobicContact CD2-CB 3.83Å; L464-L478 HydrophobicContact CD2-CD1 3.87Å; L464-L478 HydrophobicContact CD2-CG 4.47Å; F470-L478 HydrophobicContact CE1-CD2 3.91Å; F470-L478 HydrophobicContact CZ-CD2 4.11Å; D474-L478 WeakPolarHBondContact O-CB 3.23Å; D474-L478 PolarHBondContact O-N 3.3Å; E476-L478 PolarHBondContact O-N 2.82Å; L478-N480 PolarHBondContact O-N 3.43Å; L478-F481 PolarHBondContact O-N 2.78Å; L478-I482 HydrophobicContact CD1-CD1 3.89Å; L478-I482 HydrophobicContact CD1-CG1 4.06Å; L478-I482 HydrophobicContact CD2-CD1 4.39Å; L478-I482 HydrophobicContact CG-CD1 3.76Å; L478-I482 HydrophobicContact CG-CG1 4.35Å; L478-I482 WeakPolarHBondContact O-CB 3.42Å; L478-I482 VanDerWaalsContact O-CG1 3.29Å; L478-I482 WeakPolarHBondContact O-CG1 3.39Å; L478-I482 PolarHBondContact O-N 2.91Å
479	L	90.3	Very high	88.6	Confident	65 Å²	65	53.2 Å²	53.2	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-46	178.7	179.9	59.9	0	0	0	111.4	W422 R475 E476 N477 F481 I482 V483	W422-L479 HydrophobicContact CE3-CD1 4.01Å; W422-L479 HydrophobicContact CH2-CD1 4.08Å; W422-L479 HydrophobicContact CZ3-CD1 3.49Å; W422-L479 VanDerWaalsContact CZ3-CD1 3.49Å; R475-L479 WeakPolarHBondContact O-CB 3.49Å; R475-L479 PolarHBondContact O-N 2.88Å; E476-L479 PolarHBondContact O-N 2.69Å; N477-L479 PolarHBondContact O-N 3.35Å; L479-F481 PolarHBondContact O-N 3.1Å; L479-I482 PolarHBondContact O-N 3.32Å; L479-V483 HydrophobicContact CD1-CG2 4.2Å; L479-V483 WeakPolarHBondContact O-CB 3.08Å; L479-V483 VanDerWaalsContact O-CG2 3.29Å; L479-V483 WeakPolarHBondContact O-CG2 3.21Å; L479-V483 PolarHBondContact O-N 3.49Å
480	N	87.3	Confident	88.2	Confident	92 Å²	92	47.3 Å²	47.3	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-40.3	175.9	-75.6	-28.8	0	0	0	111.3	E476 N477 L478 A484	E476-N480 WeakPolarHBondContact O-CB 3.32Å; E476-N480 PolarHBondContact O-N 3.11Å; E476-N480 PolarHBondContact O-ND2 3.44Å; N477-N480 PolarHBondContact O-N 3.31Å; L478-N480 PolarHBondContact O-N 3.43Å; N480-A484 VanDerWaalsContact O-CB 3.3Å; N480-A484 WeakPolarHBondContact O-CB 3.33Å; N480-A484 PolarHBondContact O-N 3.35Å
481	F	91.4	Very high	87.9	Confident	49 Å²	49	53.4 Å²	53.4	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-72.2	-42.5	-178.3	-153	-139.2	0	0	0	112.9	I448 D461 L464 N477 L478 L479 V483 A484 H485	I448-F481 HydrophobicContact CB-CD1 4.4Å; I448-F481 HydrophobicContact CB-CE1 4.38Å; I448-F481 HydrophobicContact CD1-CB 4.33Å; I448-F481 HydrophobicContact CD1-CD1 3.66Å; I448-F481 HydrophobicContact CD1-CE1 4.36Å; I448-F481 HydrophobicContact CD1-CG 4.29Å; I448-F481 HydrophobicContact CG1-CD1 3.68Å; I448-F481 HydrophobicContact CG1-CE1 3.86Å; I448-F481 HydrophobicContact CG2-CD1 3.93Å; I448-F481 HydrophobicContact CG2-CE1 4.02Å; D461-F481 VanDerWaalsContact O-CZ 3.23Å; D461-F481 WeakPolarHBondContact O-CZ 3.36Å; L464-F481 HydrophobicContact CB-CD1 4.21Å; L464-F481 HydrophobicContact CB-CE1 4.44Å; N477-F481 VanDerWaalsContact O-CB 3.31Å; N477-F481 WeakPolarHBondContact O-CB 3.08Å; N477-F481 PolarHBondContact O-N 3.47Å; L478-F481 PolarHBondContact O-N 2.78Å; L479-F481 PolarHBondContact O-N 3.1Å; F481-V483 PolarHBondContact O-N 2.78Å; F481-A484 PolarHBondContact O-N 3.32Å; F481-H485 AromaticContact CZ-NE2 3.96Å; F481-H485 PolarHBondContact O-N 3.39Å
482	I	91.8	Very high	87.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-51.5	170.8	-72.6	168.4	0	0	0	110.2	V395 W422 T423 I448 L478 L479 A484 H485 Q486	V395-I482 HydrophobicContact CB-CG2 4.49Å; V395-I482 HydrophobicContact CG1-CG1 4.44Å; V395-I482 HydrophobicContact CG2-CB 4.41Å; V395-I482 HydrophobicContact CG2-CG2 3.88Å; W422-I482 HydrophobicContact CB-CG2 4.18Å; T423-I482 HydrophobicContact CG2-CD1 3.58Å; T423-I482 HydrophobicContact CG2-CG1 4.23Å; I448-I482 HydrophobicContact CD1-CG1 3.89Å; L478-I482 HydrophobicContact CD1-CD1 3.89Å; L478-I482 HydrophobicContact CD1-CG1 4.06Å; L478-I482 HydrophobicContact CD2-CD1 4.39Å; L478-I482 HydrophobicContact CG-CD1 3.76Å; L478-I482 HydrophobicContact CG-CG1 4.35Å; L478-I482 WeakPolarHBondContact O-CB 3.42Å; L478-I482 VanDerWaalsContact O-CG1 3.29Å; L478-I482 WeakPolarHBondContact O-CG1 3.39Å; L478-I482 PolarHBondContact O-N 2.91Å; L479-I482 PolarHBondContact O-N 3.32Å; I482-A484 VanDerWaalsContact C-N 3.32Å; I482-A484 PolarHBondContact O-N 3.49Å; I482-H485 PolarHBondContact O-N 3.17Å; I482-Q486 WeakPolarHBondContact O-CG 3.38Å; I482-Q486 PolarHBondContact O-N 3.27Å; I482-Q486 PolarHBondContact O-OE1 2.82Å
483	V	88.1	Confident	87.8	Confident	30 Å²	30	54.2 Å²	54.2	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-38.9	-178.6	171	0	0	0	0	111.1	L479 F481 K487	L479-V483 HydrophobicContact CD1-CG2 4.2Å; L479-V483 WeakPolarHBondContact O-CB 3.08Å; L479-V483 VanDerWaalsContact O-CG2 3.29Å; L479-V483 WeakPolarHBondContact O-CG2 3.21Å; L479-V483 PolarHBondContact O-N 3.49Å; F481-V483 PolarHBondContact O-N 2.78Å; V483-K487 HydrophobicContact CG1-CD 3.83Å; V483-K487 HydrophobicContact CG1-CG 4.31Å; V483-K487 WeakPolarHBondContact O-CB 3.47Å; V483-K487 WeakPolarHBondContact O-CG 3.28Å; V483-K487 PolarHBondContact O-N 2.84Å
484	A	87	Confident	87.7	Confident	50 Å²	50	53 Å²	53	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-45.9	176.6	0	0	0	0	0	112.3	N480 F481 I482 K487 S488	N480-A484 VanDerWaalsContact O-CB 3.3Å; N480-A484 WeakPolarHBondContact O-CB 3.33Å; N480-A484 PolarHBondContact O-N 3.35Å; F481-A484 PolarHBondContact O-N 3.32Å; I482-A484 VanDerWaalsContact C-N 3.32Å; I482-A484 PolarHBondContact O-N 3.49Å; A484-K487 PolarHBondContact O-N 2.84Å; A484-S488 WeakPolarHBondContact O-CB 3.45Å; A484-S488 PolarHBondContact O-N 3.05Å
485	H	89	Confident	87.3	Confident	43 Å²	43	61.2 Å²	61.2	20%	0.199	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-49.2	175.7	-95.8	-90.2	0	0	0	111.9	V395 D447 F481 I482 K487 S488 E489	V395-H485 HydrophobicContact CG2-CB 4.35Å; D447-H485 PolarHBondContact O-CE1 3.28Å; D447-H485 PolarHBondContact O-NE2 3.41Å; D447-H485 VanDerWaalsContact O-NE2 3.15Å; D447-H485 IonicContact OD1-ND1 3.2Å; F481-H485 AromaticContact CZ-NE2 3.96Å; F481-H485 PolarHBondContact O-N 3.39Å; I482-H485 PolarHBondContact O-N 3.17Å; H485-K487 VanDerWaalsContact C-N 3.27Å; H485-K487 PolarHBondContact O-N 3.5Å; H485-S488 PolarHBondContact O-N 2.92Å; H485-S488 VanDerWaalsContact O-N 3.17Å; H485-E489 PolarHBondContact O-N 3.42Å
486	Q	88.9	Confident	87	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-40.8	178	-71	172.6	-44.1	0	0	111.7	R392 R393 V395 I482 A490	R392-Q486 VanDerWaalsContact CZ-OE1 3.23Å; R393-Q486 PolarHBondContact O-NE2 3.33Å; V395-Q486 HydrophobicContact CG2-CG 3.57Å; I482-Q486 WeakPolarHBondContact O-CG 3.38Å; I482-Q486 PolarHBondContact O-N 3.27Å; I482-Q486 PolarHBondContact O-OE1 2.82Å; Q486-A490 WeakPolarHBondContact O-CB 3.5Å; Q486-A490 PolarHBondContact O-N 3.34Å
487	K	84	Confident	86.7	Confident	53 Å²	53	55.6 Å²	55.6	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176	-77.1	173.3	177.2	173.3	0	112.2	L341 V483 A484 H485 R491	L341-K487 WeakPolarHBondContact O-CG 3.24Å; V483-K487 HydrophobicContact CG1-CD 3.83Å; V483-K487 HydrophobicContact CG1-CG 4.31Å; V483-K487 WeakPolarHBondContact O-CB 3.47Å; V483-K487 WeakPolarHBondContact O-CG 3.28Å; V483-K487 PolarHBondContact O-N 2.84Å; A484-K487 PolarHBondContact O-N 2.84Å; H485-K487 VanDerWaalsContact C-N 3.27Å; H485-K487 PolarHBondContact O-N 3.5Å; K487-R491 VanDerWaalsContact O-CG 3.31Å; K487-R491 WeakPolarHBondContact O-CG 3.35Å; K487-R491 PolarHBondContact O-N 2.84Å; K487-R491 VanDerWaalsContact O-N 3.17Å
488	S	85	Confident	86.2	Confident	53 Å²	53	54.8 Å²	54.8	37%	0.371	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-50.5	-179.3	-171.7	0	0	0	0	111.1	A484 H485 R491 K492	A484-S488 WeakPolarHBondContact O-CB 3.45Å; A484-S488 PolarHBondContact O-N 3.05Å; H485-S488 PolarHBondContact O-N 2.92Å; H485-S488 VanDerWaalsContact O-N 3.17Å; S488-R491 PolarHBondContact O-N 2.81Å; S488-K492 WeakPolarHBondContact O-CG 3.15Å; S488-K492 PolarHBondContact O-N 2.76Å
489	E	86.5	Confident	85.5	Confident	50 Å²	50	59.3 Å²	59.3	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-40.4	-178.4	-70.3	-50.2	123.6	0	0	112.4	H485 R491 K492 H493	H485-E489 PolarHBondContact O-N 3.42Å; E489-R491 VanDerWaalsContact C-N 3.25Å; E489-R491 PolarHBondContact O-N 2.84Å; E489-K492 PolarHBondContact O-N 2.92Å; E489-K492 WeakPolarHBondContact OE1-CD 3.38Å; E489-K492 WeakPolarHBondContact OE1-CE 3.38Å; E489-K492 IonicContact OE1-NZ 3.01Å; E489-K492 PolarHBondContact OE1-NZ 3.07Å; E489-H493 VanDerWaalsContact O-CB 3.24Å; E489-H493 WeakPolarHBondContact O-CB 3.2Å; E489-H493 PolarHBondContact O-N 3.28Å
490	A	85	Confident	85	Confident	11 Å²	11	56.6 Å²	56.6	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-36.3	175.2	0	0	0	0	0	112.1	P344 Q486 L494	P344-A490 HydrophobicContact CG-CB 3.54Å; Q486-A490 WeakPolarHBondContact O-CB 3.5Å; Q486-A490 PolarHBondContact O-N 3.34Å; A490-L494 WeakPolarHBondContact O-CB 3.35Å; A490-L494 PolarHBondContact O-N 2.76Å
491	R	82.5	Confident	84.2	Confident	131 Å²	131	56.2 Å²	56.2	49%	0.494	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-42.6	174.8	-73.3	172.9	179.1	-179.5	0.6	112.6	L341 K487 S488 E489 H493 L494 K495	L341-R491 VanDerWaalsContact CD2-NH2 3.3Å; K487-R491 VanDerWaalsContact O-CG 3.31Å; K487-R491 WeakPolarHBondContact O-CG 3.35Å; K487-R491 PolarHBondContact O-N 2.84Å; K487-R491 VanDerWaalsContact O-N 3.17Å; S488-R491 PolarHBondContact O-N 2.81Å; E489-R491 VanDerWaalsContact C-N 3.25Å; E489-R491 PolarHBondContact O-N 2.84Å; R491-H493 VanDerWaalsContact C-N 3.3Å; R491-L494 PolarHBondContact O-N 3.16Å; R491-K495 WeakPolarHBondContact O-CG 3.29Å; R491-K495 PolarHBondContact O-N 2.94Å; R491-K495 VanDerWaalsContact O-N 3.1Å
492	K	85.8	Confident	83.2	Confident	118 Å²	118	58.9 Å²	58.9	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-45.4	174.6	-70.8	178.7	-169.8	168.1	0	110.2	S488 E489 L494 K495 A496	S488-K492 WeakPolarHBondContact O-CG 3.15Å; S488-K492 PolarHBondContact O-N 2.76Å; E489-K492 PolarHBondContact O-N 2.92Å; E489-K492 WeakPolarHBondContact OE1-CD 3.38Å; E489-K492 WeakPolarHBondContact OE1-CE 3.38Å; E489-K492 IonicContact OE1-NZ 3.01Å; E489-K492 PolarHBondContact OE1-NZ 3.07Å; K492-L494 PolarHBondContact O-N 3.46Å; K492-K495 WeakPolarHBondContact O-CB 3.23Å; K492-K495 PolarHBondContact O-N 3.37Å; K492-A496 PolarHBondContact O-N 2.98Å
493	H	84.4	Confident	82.5	Confident	19 Å²	19	62.4 Å²	62.4	9%	0.088	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-46.9	177.6	-171.2	57	0	0	0	112.2	E489 R491 K495 A496 L497 L508 S511 Q512	E489-H493 VanDerWaalsContact O-CB 3.24Å; E489-H493 WeakPolarHBondContact O-CB 3.2Å; E489-H493 PolarHBondContact O-N 3.28Å; R491-H493 VanDerWaalsContact C-N 3.3Å; H493-K495 VanDerWaalsContact C-N 3.28Å; H493-K495 PolarHBondContact O-N 2.89Å; H493-A496 PolarHBondContact O-N 3.48Å; H493-L497 VanDerWaalsContact CD2-CD1 3.46Å; H493-L497 WeakPolarHBondContact CD2-CD1 3.36Å; H493-L497 VanDerWaalsContact NE2-CD1 3.25Å; H493-L497 WeakPolarHBondContact NE2-CD1 3.45Å; H493-L497 WeakPolarHBondContact NE2-CG 3.35Å; H493-L497 WeakPolarHBondContact O-CG 3.32Å; H493-L497 PolarHBondContact O-N 3.32Å; H493-L508 PolarHBondContact CD2-O 3.03Å; H493-L508 VanDerWaalsContact CD2-O 3.28Å; H493-L508 PolarHBondContact NE2-O 2.98Å; H493-L508 VanDerWaalsContact NE2-O 3.07Å; H493-S511 PolarHBondContact CE1-OG 2.82Å; H493-S511 PolarHBondContact NE2-OG 2.77Å; H493-Q512 HydrophobicContact CB-CG 4.22Å; H493-Q512 PolarHBondContact CD2-NE2 2.98Å; H493-Q512 VanDerWaalsContact CD2-NE2 3.28Å; H493-Q512 VanDerWaalsContact CG-NE2 3.31Å
494	L	83.4	Confident	81.9	Confident	39 Å²	39	64.7 Å²	64.7	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-56.9	-41.3	176.4	-163.4	78.9	0	0	0	112.3	I345 T348 A490 R491 K492 I500	I345-L494 HydrophobicContact CG1-CD1 4.16Å; T348-L494 HydrophobicContact CG2-CD1 4.14Å; T348-L494 HydrophobicContact CG2-CD2 4.41Å; T348-L494 WeakPolarHBondContact OG1-CD2 3.46Å; A490-L494 WeakPolarHBondContact O-CB 3.35Å; A490-L494 PolarHBondContact O-N 2.76Å; R491-L494 PolarHBondContact O-N 3.16Å; K492-L494 PolarHBondContact O-N 3.46Å; L494-I500 HydrophobicContact CD1-CD1 3.32Å; L494-I500 HydrophobicContact CD1-CG1 4.42Å; L494-I500 HydrophobicContact CG-CD1 3.99Å
495	K	84	Confident	81.3	Confident	180 Å²	180	62.8 Å²	62.8	78%	0.783	34%	0.335	S	S	*	.	H	α-helix	trans	-65.6	-39.5	175.2	-70.7	176.1	-179.4	-177.1	0	112.1	R491 K492 H493	R491-K495 WeakPolarHBondContact O-CG 3.29Å; R491-K495 PolarHBondContact O-N 2.94Å; R491-K495 VanDerWaalsContact O-N 3.1Å; K492-K495 WeakPolarHBondContact O-CB 3.23Å; K492-K495 PolarHBondContact O-N 3.37Å; H493-K495 VanDerWaalsContact C-N 3.28Å; H493-K495 PolarHBondContact O-N 2.89Å
496	A	83.9	Confident	80.3	Confident	84 Å²	84	67.2 Å²	67.2	69%	0.694	35%	0.354	S	S	*	.	H	α-helix	trans	-70.8	-33.2	-180	0	0	0	0	0	113.1	K492 H493 G498	K492-A496 PolarHBondContact O-N 2.98Å; H493-A496 PolarHBondContact O-N 3.48Å; A496-G498 VanDerWaalsContact C-N 3.26Å; A496-G498 PolarHBondContact O-N 3.26Å
497	L	80.1	Confident	79.8	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-28.4	179.5	-77.6	168.8	0	0	0	113.5	H493 N499 I500 K503 L508	H493-L497 VanDerWaalsContact CD2-CD1 3.46Å; H493-L497 WeakPolarHBondContact CD2-CD1 3.36Å; H493-L497 VanDerWaalsContact NE2-CD1 3.25Å; H493-L497 WeakPolarHBondContact NE2-CD1 3.45Å; H493-L497 WeakPolarHBondContact NE2-CG 3.35Å; H493-L497 WeakPolarHBondContact O-CG 3.32Å; H493-L497 PolarHBondContact O-N 3.32Å; L497-N499 PolarHBondContact O-N 2.86Å; L497-N499 VanDerWaalsContact O-N 3.15Å; L497-I500 HydrophobicContact CB-CG1 4.15Å; L497-I500 HydrophobicContact CD1-CG1 4.37Å; L497-K503 HydrophobicContact CD2-CD 4.48Å; L497-K503 HydrophobicContact CD2-CG 4.35Å; L497-L508 HydrophobicContact CD1-CD2 3.56Å; L497-L508 HydrophobicContact CD2-CD2 4.21Å; L497-L508 HydrophobicContact CG-CD2 4.44Å
498	G	78.1	Confident	79.6	Confident	53 Å²	53	67.6 Å²	67.6	55%	0.546	36%	0.357	S	S	.	.			trans	62	-112.9	-176.8	0	0	0	0	0	111.8	A496 I500	A496-G498 VanDerWaalsContact C-N 3.26Å; A496-G498 PolarHBondContact O-N 3.26Å; G498-I500 PolarHBondContact O-N 2.85Å; G498-I500 VanDerWaalsContact O-N 3.07Å
499	N	78.7	Confident	79.2	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	34%	0.342	S	S	.	.			trans	-78.6	92.4	178.8	-172.7	11.5	0	0	0	111.6	L497 K501 T502	L497-N499 PolarHBondContact O-N 2.86Å; L497-N499 VanDerWaalsContact O-N 3.15Å; N499-K501 PolarHBondContact O-N 3.47Å; N499-K501 WeakPolarHBondContact OD1-CB 3.47Å; N499-K501 PolarHBondContact OD1-N 3.41Å; N499-T502 PolarHBondContact O-OG1 3.37Å
500	I	79.6	Confident	78	Confident	8 Å²	8	67 Å²	67	4%	0.041	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.3	179.6	-69.4	161.4	0	0	0	113	T348 L349 I352 L494 L497 G498 T502 K503 L508	T348-I500 HydrophobicContact CG2-CD1 3.53Å; L349-I500 HydrophobicContact CD2-CG2 3.52Å; L349-I500 HydrophobicContact CG-CG2 4.29Å; I352-I500 HydrophobicContact CD1-CB 4.33Å; I352-I500 HydrophobicContact CD1-CD1 4.41Å; L494-I500 HydrophobicContact CD1-CD1 3.32Å; L494-I500 HydrophobicContact CD1-CG1 4.42Å; L494-I500 HydrophobicContact CG-CD1 3.99Å; L497-I500 HydrophobicContact CB-CG1 4.15Å; L497-I500 HydrophobicContact CD1-CG1 4.37Å; G498-I500 PolarHBondContact O-N 2.85Å; G498-I500 VanDerWaalsContact O-N 3.07Å; I500-T502 VanDerWaalsContact C-N 3.27Å; I500-T502 PolarHBondContact O-N 3.01Å; I500-K503 WeakPolarHBondContact O-CB 3.25Å; I500-K503 PolarHBondContact O-N 3.21Å; I500-K503 VanDerWaalsContact O-N 3.15Å; I500-L508 HydrophobicContact CB-CD2 4.24Å; I500-L508 HydrophobicContact CG1-CD2 4.23Å; I500-L508 HydrophobicContact CG2-CD1 4.08Å; I500-L508 HydrophobicContact CG2-CD2 3.68Å
501	K	71.5	Confident	76.5	Confident	84 Å²	84	68 Å²	68	37%	0.365	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-65	-27.4	-174.1	-64.3	-178.1	174.6	-162.1	0	115	I352 D356 N499 K503	I352-K501 HydrophobicContact CG2-CD 4.1Å; I352-K501 HydrophobicContact CG2-CG 3.79Å; D356-K501 IonicContact OD1-NZ 3.37Å; D356-K501 PolarHBondContact OD1-NZ 3.34Å; D356-K501 VanDerWaalsContact OD2-CE 3.22Å; D356-K501 WeakPolarHBondContact OD2-CE 3.32Å; D356-K501 IonicContact OD2-NZ 2.7Å; D356-K501 PolarHBondContact OD2-NZ 3.21Å; N499-K501 PolarHBondContact O-N 3.47Å; N499-K501 WeakPolarHBondContact OD1-CB 3.47Å; N499-K501 PolarHBondContact OD1-N 3.41Å; K501-K503 VanDerWaalsContact C-N 3.28Å
502	T	69.9	Low	75	Confident	105 Å²	105	62.4 Å²	62.4	64%	0.644	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-94.3	9.2	-177.9	58.6	0	0	0	0	111.8	N499 I500	N499-T502 PolarHBondContact O-OG1 3.37Å; I500-T502 VanDerWaalsContact C-N 3.27Å; I500-T502 PolarHBondContact O-N 3.01Å
503	K	76.8	Confident	73.1	Confident	73 Å²	73	60.8 Å²	60.8	32%	0.317	33%	0.327	S	S	.	.			trans	-106.3	136	-173.3	-61.2	-66	-173.8	178.6	0	109.9	L497 I500 K501 E507 L508	L497-K503 HydrophobicContact CD2-CD 4.48Å; L497-K503 HydrophobicContact CD2-CG 4.35Å; I500-K503 WeakPolarHBondContact O-CB 3.25Å; I500-K503 PolarHBondContact O-N 3.21Å; I500-K503 VanDerWaalsContact O-N 3.15Å; K501-K503 VanDerWaalsContact C-N 3.28Å; K503-E507 WeakPolarHBondContact CA-OE2 3.47Å; K503-E507 HydrophobicContact CB-CB 4.1Å; K503-E507 HydrophobicContact CD-CB 4.01Å; K503-E507 HydrophobicContact CD-CG 4.45Å; K503-E507 WeakPolarHBondContact CD-OE1 3.43Å; K503-E507 IonicContact NZ-OE1 2.67Å; K503-E507 PolarHBondContact NZ-OE1 3.26Å; K503-L508 HydrophobicContact CB-CD2 3.58Å; K503-L508 HydrophobicContact CB-CG 3.83Å; K503-L508 HydrophobicContact CG-CD2 4.16Å
504	T	75.3	Confident	70.9	Confident	79 Å²	79	65.6 Å²	65.6	49%	0.485	35%	0.353	S	S	.	.			trans	-67.8	155.4	169.1	59.3	0	0	0	0	110.4	K506 E507 L508	T504-K506 PolarHBondContact O-N 3.23Å; T504-K506 VanDerWaalsContact O-N 3.09Å; T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.46Å; T504-E507 PolarHBondContact OG1-N 3.47Å; T504-E507 VanDerWaalsContact OG1-N 3.11Å; T504-E507 PolarHBondContact OG1-OE2 3.19Å; T504-L508 WeakPolarHBondContact O-CG 3.19Å; T504-L508 PolarHBondContact O-N 3.01Å
505	A	75.3	Confident	68.8	Low	9 Å²	9	71 Å²	71	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-51.3	-35.2	170.4	0	0	0	0	0	111.7	G294 D296 L508 Y509	G294-A505 WeakPolarHBondContact O-CA 3.3Å; G294-A505 WeakPolarHBondContact O-CB 3.44Å; D296-A505 HydrophobicContact CB-CB 3.54Å; A505-L508 PolarHBondContact O-N 3.48Å; A505-Y509 WeakPolarHBondContact O-CD2 3.47Å; A505-Y509 PolarHBondContact O-N 3.15Å
506	K	68.5	Low	66.6	Low	136 Å²	136	64.6 Å²	64.6	59%	0.591	35%	0.353	S	S	*	.	H	α-helix	trans	-60.8	-46.9	174.2	-165	175.3	179.5	178.7	0	112.6	T504 L508 F510 S511	T504-K506 PolarHBondContact O-N 3.23Å; T504-K506 VanDerWaalsContact O-N 3.09Å; K506-L508 VanDerWaalsContact C-N 3.3Å; K506-L508 PolarHBondContact O-N 2.83Å; K506-F510 HydrophobicContact CB-CD2 4.2Å; K506-F510 HydrophobicContact CG-CB 3.79Å; K506-F510 HydrophobicContact CG-CD2 3.84Å; K506-F510 HydrophobicContact CG-CG 3.88Å; K506-F510 WeakPolarHBondContact O-CA 3.48Å; K506-F510 WeakPolarHBondContact O-CB 3.41Å; K506-F510 PolarHBondContact O-N 3.37Å; K506-S511 PolarHBondContact O-N 2.71Å
507	E	76.6	Confident	64.1	Low	72 Å²	72	72.2 Å²	72.2	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-33.2	176.8	-72.1	168	106.6	0	0	112.7	K503 T504 S511	K503-E507 WeakPolarHBondContact CA-OE2 3.47Å; K503-E507 HydrophobicContact CB-CB 4.1Å; K503-E507 HydrophobicContact CD-CB 4.01Å; K503-E507 HydrophobicContact CD-CG 4.45Å; K503-E507 WeakPolarHBondContact CD-OE1 3.43Å; K503-E507 IonicContact NZ-OE1 2.67Å; K503-E507 PolarHBondContact NZ-OE1 3.26Å; T504-E507 PolarHBondContact N-OE2 3.2Å; T504-E507 PolarHBondContact O-N 3.28Å; T504-E507 WeakPolarHBondContact OG1-CG 3.46Å; T504-E507 PolarHBondContact OG1-N 3.47Å; T504-E507 VanDerWaalsContact OG1-N 3.11Å; T504-E507 PolarHBondContact OG1-OE2 3.19Å; E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-OG 3.1Å
508	L	79.8	Confident	63.3	Low	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-71.7	-36.4	-179.8	-66.1	177.8	0	0	0	113.2	I345 L349 H493 L497 I500 K503 T504 A505 K506	I345-L508 WeakPolarHBondContact CD1-O 3.22Å; I345-L508 HydrophobicContact CG2-CB 4.23Å; L349-L508 HydrophobicContact CD1-CD1 4.14Å; L349-L508 HydrophobicContact CD2-CD1 4.02Å; L349-L508 HydrophobicContact CG-CD1 4.49Å; H493-L508 PolarHBondContact CD2-O 3.03Å; H493-L508 VanDerWaalsContact CD2-O 3.28Å; H493-L508 PolarHBondContact NE2-O 2.98Å; H493-L508 VanDerWaalsContact NE2-O 3.07Å; L497-L508 HydrophobicContact CD1-CD2 3.56Å; L497-L508 HydrophobicContact CD2-CD2 4.21Å; L497-L508 HydrophobicContact CG-CD2 4.44Å; I500-L508 HydrophobicContact CB-CD2 4.24Å; I500-L508 HydrophobicContact CG1-CD2 4.23Å; I500-L508 HydrophobicContact CG2-CD1 4.08Å; I500-L508 HydrophobicContact CG2-CD2 3.68Å; K503-L508 HydrophobicContact CB-CD2 3.58Å; K503-L508 HydrophobicContact CB-CG 3.83Å; K503-L508 HydrophobicContact CG-CD2 4.16Å; T504-L508 WeakPolarHBondContact O-CG 3.19Å; T504-L508 PolarHBondContact O-N 3.01Å; A505-L508 PolarHBondContact O-N 3.48Å; K506-L508 VanDerWaalsContact C-N 3.3Å; K506-L508 PolarHBondContact O-N 2.83Å
509	Y	77.8	Confident	62.6	Low	15 Å²	15	75.9 Å²	75.9	6%	0.059	38%	0.375	C	S	.	.	H	α-helix	trans	-115.6	-33.1	-173.1	-67.1	-83.1	0	0	0	114.5	I295 I345 F346 L391 A505 Q512	I295-Y509 HydrophobicContact CG2-CE2 4.23Å; I345-Y509 HydrophobicContact CB-CE1 3.92Å; I345-Y509 HydrophobicContact CD1-CD1 3.99Å; I345-Y509 HydrophobicContact CD1-CE1 3.95Å; I345-Y509 HydrophobicContact CG1-CE1 4.49Å; I345-Y509 HydrophobicContact CG2-CE1 3.99Å; I345-Y509 HydrophobicContact CG2-CE2 3.86Å; F346-Y509 PolarHBondContact N-OH 3.25Å; L391-Y509 HydrophobicContact CB-CD1 3.6Å; L391-Y509 HydrophobicContact CB-CE1 3.78Å; L391-Y509 HydrophobicContact CB-CG 4.07Å; L391-Y509 HydrophobicContact CD1-CD1 4.23Å; L391-Y509 HydrophobicContact CD1-CD2 4.07Å; L391-Y509 HydrophobicContact CD1-CE1 3.96Å; L391-Y509 HydrophobicContact CD1-CE2 3.86Å; L391-Y509 HydrophobicContact CD1-CG 4.25Å; L391-Y509 HydrophobicContact CD2-CD2 4.37Å; L391-Y509 HydrophobicContact CD2-CG 4.15Å; L391-Y509 HydrophobicContact CG-CD1 4.36Å; L391-Y509 HydrophobicContact CG-CE1 4.47Å; L391-Y509 HydrophobicContact CG-CG 4.41Å; L391-Y509 WeakPolarHBondContact O-CD1 3.45Å; A505-Y509 WeakPolarHBondContact O-CD2 3.47Å; A505-Y509 PolarHBondContact O-N 3.15Å; Y509-Q512 WeakPolarHBondContact O-CB 3.46Å
510	F	61.3	Low	61.7	Low	74 Å²	74	74.8 Å²	74.8	33%	0.325	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-16.9	-173	-66	-105.5	0	0	0	114.1	K506 Q512 Q513 L514	K506-F510 HydrophobicContact CB-CD2 4.2Å; K506-F510 HydrophobicContact CG-CB 3.79Å; K506-F510 HydrophobicContact CG-CD2 3.84Å; K506-F510 HydrophobicContact CG-CG 3.88Å; K506-F510 WeakPolarHBondContact O-CA 3.48Å; K506-F510 WeakPolarHBondContact O-CB 3.41Å; K506-F510 PolarHBondContact O-N 3.37Å; F510-Q512 PolarHBondContact O-N 2.72Å; F510-Q513 PolarHBondContact O-N 3.21Å; F510-L514 PolarHBondContact O-N 2.88Å
511	S	54.2	Low	60.6	Low	34 Å²	34	78.8 Å²	78.8	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-57.6	-28.3	166.2	54	0	0	0	0	111.2	H493 K506 E507 M515	H493-S511 PolarHBondContact CE1-OG 2.82Å; H493-S511 PolarHBondContact NE2-OG 2.77Å; K506-S511 PolarHBondContact O-N 2.71Å; E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-OG 3.1Å; S511-M515 WeakPolarHBondContact O-CG 3.44Å; S511-M515 PolarHBondContact O-N 2.9Å
512	Q	49.6	Very low	59.9	Low	13 Å²	13	78.4 Å²	78.4	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-70.3	-33.2	170.3	-61.3	-175.3	-11.4	0	0	113.7	R393 H493 Y509 F510	R393-Q512 HydrophobicContact CB-CB 4.27Å; H493-Q512 HydrophobicContact CB-CG 4.22Å; H493-Q512 PolarHBondContact CD2-NE2 2.98Å; H493-Q512 VanDerWaalsContact CD2-NE2 3.28Å; H493-Q512 VanDerWaalsContact CG-NE2 3.31Å; Y509-Q512 WeakPolarHBondContact O-CB 3.46Å; F510-Q512 PolarHBondContact O-N 2.72Å
513	Q	46.5	Very low	59.3	Low	84 Å²	84	76.7 Å²	76.7	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-77.6	-33.7	178.4	-68.8	-174.1	-5.8	0	0	112	F510 M515 N516	F510-Q513 PolarHBondContact O-N 3.21Å; Q513-M515 VanDerWaalsContact C-N 3.3Å; Q513-N516 PolarHBondContact O-N 3.27Å
514	L	38	Very low	58	Low	120 Å²	120	76.9 Å²	76.9	63%	0.628	37%	0.374	S	S	*	.	H	α-helix	trans	-71.3	-23	176.2	-80.7	162	0	0	0	113	F510 N516	F510-L514 PolarHBondContact O-N 2.88Å; L514-N516 PolarHBondContact O-N 3.26Å
515	M	38.7	Very low	56.7	Low	153 Å²	153	76.8 Å²	76.8	75%	0.754	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.5	170.3	-72.8	-171.9	-176.3	0	0	113.4	S511 Q513	S511-M515 WeakPolarHBondContact O-CG 3.44Å; S511-M515 PolarHBondContact O-N 2.9Å; Q513-M515 VanDerWaalsContact C-N 3.3Å
516	N	39.5	Very low	55.1	Low	45 Å²	45	82.4 Å²	82.4	24%	0.241	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	16.1	-179.6	-75.3	10.3	0	0	0	112.9	R393 K394 Q513 L514	R393-N516 PolarHBondContact NE-ND2 3.05Å; R393-N516 VanDerWaalsContact NE-ND2 3.19Å; R393-N516 PolarHBondContact NE-OD1 3.04Å; R393-N516 VanDerWaalsContact NE-OD1 3.1Å; R393-N516 PolarHBondContact NH2-OD1 3.27Å; K394-N516 PolarHBondContact O-ND2 3.01Å; Q513-N516 PolarHBondContact O-N 3.27Å; L514-N516 PolarHBondContact O-N 3.26Å
517	K	31.4	Very low	53.9	Low	243 Å²	243	77.5 Å²	77.5	100%	1.057	37%	0.372	S	S	*	.			trans	-119.2	0	167.6	-78.9	-169.4	177.2	-173.4	0	108.9

Retrieved 517 of 517 residues in 255.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).