A0A077ZCF8_TRITR Loading...

vesicle-fusing ATPase

AlphaFold DB , UniProt , Accession A0A077ZCF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.5	Very low	78	Confident	239 Å²	239	75 Å²	75	100%	1.177	43%	0.433	S	S	*	.				0	120.6	0	-76.3	-171.8	-87.6	0	0	107.6	T3	M1-T3 PolarHBondContact O-N 3.18Å
2	A	49.1	Very low	79.1	Confident	107 Å²	107	70.8 Å²	70.8	88%	0.884	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-64.4	122.1	175.9	0	0	0	0	0	108.8	S4	A2-S4 PolarHBondContact O-N 2.91Å
3	T	65.4	Low	80.1	Confident	85 Å²	85	66 Å²	66	52%	0.521	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.3	125.3	174.5	34.5	0	0	0	0	109.1	M1 K8	M1-T3 PolarHBondContact O-N 3.18Å; T3-K8 WeakPolarHBondContact OG1-CE 3.39Å
4	S	86.2	Confident	80.9	Confident	52 Å²	52	66.3 Å²	66.3	36%	0.364	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.6	179.1	58.3	0	0	0	0	110.9	A2 L6 S7 K8 E46	A2-S4 PolarHBondContact O-N 2.91Å; S4-L6 PolarHBondContact O-N 3.41Å; S4-S7 WeakPolarHBondContact O-CB 3.42Å; S4-S7 PolarHBondContact O-N 3.41Å; S4-S7 WeakPolarHBondContact OG-CB 3.28Å; S4-S7 PolarHBondContact OG-N 2.95Å; S4-K8 PolarHBondContact O-N 2.72Å; S4-E46 WeakPolarHBondContact CA-OE1 3.22Å; S4-E46 WeakPolarHBondContact CB-OE2 3.44Å
5	A	86.2	Confident	81.6	Confident	6 Å²	6	69.6 Å²	69.6	5%	0.05	39%	0.392	C	S	.	.	H	α-helix	trans	-55.1	-38.8	174.1	0	0	0	0	0	110.9	S7 K8 A9 Y38 H41 A42 E46	A5-S7 PolarHBondContact O-N 2.72Å; A5-K8 PolarHBondContact O-N 3.41Å; A5-A9 WeakPolarHBondContact O-CB 3.43Å; A5-A9 PolarHBondContact O-N 3.25Å; A5-Y38 HydrophobicContact CB-CD1 4.11Å; A5-H41 HydrophobicContact CB-CB 4.35Å; A5-H41 WeakPolarHBondContact CB-ND1 3.42Å; A5-A42 HydrophobicContact CB-CB 4.29Å; A5-E46 HydrophobicContact CB-CG 4.45Å; A5-E46 WeakPolarHBondContact CB-OE1 3.45Å; A5-E46 VanDerWaalsContact N-CD 3.28Å; A5-E46 PolarHBondContact N-OE1 2.88Å; A5-E46 PolarHBondContact N-OE2 3.21Å; A5-E46 VanDerWaalsContact N-OE2 3.13Å
6	L	86.5	Confident	82.2	Confident	45 Å²	45	65.3 Å²	65.3	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-41.4	174.8	-174.4	61	0	0	0	112.8	S4 A9 I10 F39 A42 E46 I56	S4-L6 PolarHBondContact O-N 3.41Å; L6-A9 WeakPolarHBondContact O-CB 3.49Å; L6-A9 PolarHBondContact O-N 2.84Å; L6-I10 HydrophobicContact CD1-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.21Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 3.35Å; L6-I10 VanDerWaalsContact O-N 3.11Å; L6-F39 HydrophobicContact CD1-CD1 3.96Å; L6-F39 HydrophobicContact CD1-CE1 3.83Å; L6-A42 HydrophobicContact CB-CB 4Å; L6-A42 HydrophobicContact CD1-CB 4.39Å; L6-E46 PolarHBondContact N-OE2 3.44Å; L6-I56 HydrophobicContact CD1-CD1 4.22Å; L6-I56 HydrophobicContact CD1-CG1 4.2Å; L6-I56 HydrophobicContact CD1-CG2 4.38Å; L6-I56 HydrophobicContact CD2-CD1 4.29Å
7	S	86.2	Confident	82.6	Confident	45 Å²	45	62.6 Å²	62.6	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-44	176.8	-171.4	0	0	0	0	111	S4 A5 A9 I10 D11	S4-S7 WeakPolarHBondContact O-CB 3.42Å; S4-S7 PolarHBondContact O-N 3.41Å; S4-S7 WeakPolarHBondContact OG-CB 3.28Å; S4-S7 PolarHBondContact OG-N 2.95Å; A5-S7 PolarHBondContact O-N 2.72Å; S7-A9 VanDerWaalsContact C-N 3.31Å; S7-A9 PolarHBondContact O-N 2.61Å; S7-I10 PolarHBondContact O-N 2.93Å; S7-D11 VanDerWaalsContact O-CG 3.3Å; S7-D11 PolarHBondContact O-N 3.03Å
8	K	89.2	Confident	83	Confident	77 Å²	77	64.3 Å²	64.3	34%	0.335	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-39	176.5	-69	-179.4	179.9	-179	0	112.2	T3 S4 A5 D11 L12 Y38	T3-K8 WeakPolarHBondContact OG1-CE 3.39Å; S4-K8 PolarHBondContact O-N 2.72Å; A5-K8 PolarHBondContact O-N 3.41Å; K8-D11 PolarHBondContact O-N 3.08Å; K8-L12 WeakPolarHBondContact O-CB 3.31Å; K8-L12 WeakPolarHBondContact O-CG 3.17Å; K8-L12 PolarHBondContact O-N 2.75Å; K8-Y38 HydrophobicContact CB-CD1 3.88Å; K8-Y38 HydrophobicContact CB-CD2 4.49Å; K8-Y38 HydrophobicContact CB-CE1 3.98Å; K8-Y38 HydrophobicContact CB-CG 4.16Å; K8-Y38 HydrophobicContact CD-CD1 4.13Å; K8-Y38 HydrophobicContact CD-CE1 3.48Å; K8-Y38 VanDerWaalsContact CD-CE1 3.48Å; K8-Y38 HydrophobicContact CG-CE1 4.4Å
9	A	89.8	Confident	83.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-47.3	175.5	0	0	0	0	0	111.1	A5 L6 S7 D11 L12 V13 F39	A5-A9 WeakPolarHBondContact O-CB 3.43Å; A5-A9 PolarHBondContact O-N 3.25Å; L6-A9 WeakPolarHBondContact O-CB 3.49Å; L6-A9 PolarHBondContact O-N 2.84Å; S7-A9 VanDerWaalsContact C-N 3.31Å; S7-A9 PolarHBondContact O-N 2.61Å; A9-D11 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 2.92Å; A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 2.78Å; A9-F39 HydrophobicContact CB-CD1 3.65Å; A9-F39 HydrophobicContact CB-CD2 3.95Å; A9-F39 HydrophobicContact CB-CE1 3.65Å; A9-F39 HydrophobicContact CB-CE2 3.93Å; A9-F39 HydrophobicContact CB-CG 3.81Å; A9-F39 HydrophobicContact CB-CZ 3.78Å
10	I	89.4	Confident	83.6	Confident	85 Å²	85	60.4 Å²	60.4	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-42.7	179.5	-66.4	165.4	0	0	0	111.2	L6 S7 L12 V13 T14	L6-I10 HydrophobicContact CD1-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.21Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 3.35Å; L6-I10 VanDerWaalsContact O-N 3.11Å; S7-I10 PolarHBondContact O-N 2.93Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.8Å; I10-V13 PolarHBondContact O-N 3.21Å; I10-T14 PolarHBondContact O-N 3.37Å; I10-T14 PolarHBondContact O-OG1 3.46Å
11	D	90.2	Very high	83.7	Confident	84 Å²	84	62 Å²	62	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177	-67.2	-22.4	0	0	0	111.8	S7 K8 A9 T14 K15	S7-D11 VanDerWaalsContact O-CG 3.3Å; S7-D11 PolarHBondContact O-N 3.03Å; K8-D11 PolarHBondContact O-N 3.08Å; A9-D11 PolarHBondContact O-N 2.98Å; D11-T14 PolarHBondContact O-N 2.84Å; D11-K15 WeakPolarHBondContact O-CG 3.23Å; D11-K15 PolarHBondContact O-N 2.89Å; D11-K15 VanDerWaalsContact O-N 3.15Å
12	L	92	Very high	86.1	Confident	25 Å²	25	57 Å²	57	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-43.2	178.2	-74.6	168.8	0	0	0	112.2	K8 A9 I10 T14 K15 A16 L31 H34 A35 Y38	K8-L12 WeakPolarHBondContact O-CB 3.31Å; K8-L12 WeakPolarHBondContact O-CG 3.17Å; K8-L12 PolarHBondContact O-N 2.75Å; A9-L12 PolarHBondContact O-N 2.92Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.8Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.32Å; L12-K15 PolarHBondContact O-N 2.94Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.26Å; L12-L31 HydrophobicContact CD2-CD2 3.89Å; L12-H34 HydrophobicContact CD1-CB 4.19Å; L12-A35 HydrophobicContact CB-CB 3.79Å; L12-Y38 HydrophobicContact CD1-CD2 3.34Å; L12-Y38 HydrophobicContact CD1-CE2 3.57Å; L12-Y38 HydrophobicContact CD1-CG 4.42Å
13	V	91.5	Very high	88	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-42.3	173.9	166.1	0	0	0	0	111.4	A9 I10 K15 A16 T17 A35 F39 Y63	A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 2.78Å; I10-V13 PolarHBondContact O-N 3.21Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.37Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 3.34Å; V13-T17 WeakPolarHBondContact O-CB 3.4Å; V13-T17 PolarHBondContact O-N 3.34Å; V13-T17 PolarHBondContact O-OG1 2.91Å; V13-A35 HydrophobicContact CG2-CB 3.66Å; V13-F39 HydrophobicContact CG2-CE2 3.56Å; V13-F39 HydrophobicContact CG2-CZ 4Å; V13-Y63 HydrophobicContact CB-CE1 4.42Å; V13-Y63 HydrophobicContact CB-CE2 4.47Å; V13-Y63 HydrophobicContact CG1-CD1 3.98Å; V13-Y63 HydrophobicContact CG1-CE1 3.32Å; V13-Y63 HydrophobicContact CG1-CE2 4.01Å; V13-Y63 WeakPolarHBondContact CG1-OH 3.43Å; V13-Y63 HydrophobicContact CG2-CD1 4.19Å; V13-Y63 HydrophobicContact CG2-CD2 3.72Å; V13-Y63 HydrophobicContact CG2-CE1 4.15Å; V13-Y63 HydrophobicContact CG2-CE2 3.65Å; V13-Y63 HydrophobicContact CG2-CG 4.01Å
14	T	90.8	Very high	89.2	Confident	70 Å²	70	58.1 Å²	58.1	43%	0.429	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-47.3	-179.2	-55.6	0	0	0	0	110	I10 D11 L12 A16 T17 E18	I10-T14 PolarHBondContact O-N 3.37Å; I10-T14 PolarHBondContact O-OG1 3.46Å; D11-T14 PolarHBondContact O-N 2.84Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.32Å; T14-A16 PolarHBondContact O-N 3.37Å; T14-T17 PolarHBondContact O-N 3.13Å; T14-E18 WeakPolarHBondContact O-CG 3.39Å; T14-E18 PolarHBondContact O-N 3.18Å; T14-E18 VanDerWaalsContact O-N 3.08Å
15	K	91.5	Very high	89.5	Confident	116 Å²	116	57.5 Å²	57.5	50%	0.504	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-42.2	173.3	-66.5	174.2	-178.1	179.9	0	112.5	D11 L12 V13 T17 E18 E19 L31	D11-K15 WeakPolarHBondContact O-CG 3.23Å; D11-K15 PolarHBondContact O-N 2.89Å; D11-K15 VanDerWaalsContact O-N 3.15Å; L12-K15 PolarHBondContact O-N 2.94Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.37Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.9Å; K15-E18 PolarHBondContact O-N 3.45Å; K15-E19 PolarHBondContact O-N 2.8Å; K15-L31 HydrophobicContact CB-CD1 3.89Å; K15-L31 HydrophobicContact CB-CD2 4.4Å
16	A	91.2	Very high	89.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-43	178.2	0	0	0	0	0	111.2	L12 V13 T14 E19 D20 L31 Y32	L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.26Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 3.34Å; T14-A16 PolarHBondContact O-N 3.37Å; A16-E19 PolarHBondContact O-N 3.35Å; A16-D20 VanDerWaalsContact O-CB 3.26Å; A16-D20 WeakPolarHBondContact O-CB 3.28Å; A16-D20 PolarHBondContact O-N 3.4Å; A16-L31 HydrophobicContact CB-CB 3.52Å; A16-Y32 HydrophobicContact CB-CD1 3.62Å; A16-Y32 HydrophobicContact CB-CD2 3.97Å; A16-Y32 HydrophobicContact CB-CE1 3.64Å; A16-Y32 HydrophobicContact CB-CE2 3.98Å; A16-Y32 HydrophobicContact CB-CG 3.79Å
17	T	89.7	Confident	90	Very high	20 Å²	20	65 Å²	65	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-37.5	179.5	-51.2	0	0	0	0	111.3	V13 T14 K15 K21	V13-T17 WeakPolarHBondContact O-CB 3.4Å; V13-T17 PolarHBondContact O-N 3.34Å; V13-T17 PolarHBondContact O-OG1 2.91Å; T14-T17 PolarHBondContact O-N 3.13Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.9Å; T17-K21 VanDerWaalsContact O-CG 3.3Å; T17-K21 WeakPolarHBondContact O-CG 3.32Å; T17-K21 PolarHBondContact O-N 3.35Å
18	E	89.4	Confident	90.3	Very high	93 Å²	93	62.9 Å²	62.9	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-45.5	173.6	-72.5	174.9	-171.1	0	0	112.4	T14 K15 D20 K21 K22	T14-E18 WeakPolarHBondContact O-CG 3.39Å; T14-E18 PolarHBondContact O-N 3.18Å; T14-E18 VanDerWaalsContact O-N 3.08Å; K15-E18 PolarHBondContact O-N 3.45Å; E18-D20 VanDerWaalsContact C-N 3.35Å; E18-K21 WeakPolarHBondContact O-CB 3.48Å; E18-K21 PolarHBondContact O-N 2.9Å; E18-K22 WeakPolarHBondContact O-CG 3.28Å; E18-K22 PolarHBondContact O-N 3.14Å
19	E	90.2	Very high	90.4	Very high	33 Å²	33	60.2 Å²	60.2	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-36.6	177.1	-68.2	-54.7	126.2	0	0	112	K15 A16 K21 K22 K23 N24 E27 A28 L31	K15-E19 PolarHBondContact O-N 2.8Å; A16-E19 PolarHBondContact O-N 3.35Å; E19-K21 VanDerWaalsContact C-N 3.34Å; E19-K21 PolarHBondContact O-N 3.26Å; E19-K22 CarbonylContact O-C 3.33Å; E19-K22 PolarHBondContact O-N 2.87Å; E19-K22 VanDerWaalsContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 3.06Å; E19-K22 PolarHBondContact OE1-NZ 2.87Å; E19-K23 PolarHBondContact O-N 3.19Å; E19-K23 VanDerWaalsContact O-N 3.1Å; E19-N24 HydrophobicContact CB-CB 4.31Å; E19-N24 PolarHBondContact O-N 2.76Å; E19-N24 VanDerWaalsContact OE2-CB 3.25Å; E19-N24 WeakPolarHBondContact OE2-CB 3.46Å; E19-N24 PolarHBondContact OE2-ND2 3.28Å; E19-E27 HydrophobicContact CG-CB 4.41Å; E19-E27 HydrophobicContact CG-CG 4.04Å; E19-A28 HydrophobicContact CB-CB 4.05Å; E19-L31 HydrophobicContact CB-CD1 4.44Å; E19-L31 HydrophobicContact CG-CD1 3.92Å
20	D	88.8	Confident	90.6	Very high	18 Å²	18	67.8 Å²	67.8	10%	0.096	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-42.3	173.8	-163.9	-9.6	0	0	0	111.1	A16 E18 K22 K23 A28 Y32 R66	A16-D20 VanDerWaalsContact O-CB 3.26Å; A16-D20 WeakPolarHBondContact O-CB 3.28Å; A16-D20 PolarHBondContact O-N 3.4Å; E18-D20 VanDerWaalsContact C-N 3.35Å; D20-K22 PolarHBondContact O-N 3.24Å; D20-K23 PolarHBondContact O-N 2.86Å; D20-A28 HydrophobicContact CB-CB 3.96Å; D20-Y32 HydrophobicContact CB-CE2 4.37Å; D20-Y32 PolarHBondContact OD2-OH 3.46Å; D20-R66 VanDerWaalsContact CG-NH2 3.28Å; D20-R66 IonicContact OD1-CZ 3.79Å; D20-R66 IonicContact OD1-NE 2.79Å; D20-R66 IonicContact OD1-NH2 2.79Å; D20-R66 PolarHBondContact OD1-NH2 3.35Å; D20-R66 IonicContact OD2-CZ 3.44Å; D20-R66 VanDerWaalsContact OD2-CZ 3.29Å; D20-R66 IonicContact OD2-NE 2.6Å; D20-R66 PolarHBondContact OD2-NE 2.91Å; D20-R66 IonicContact OD2-NH2 2.78Å; D20-R66 PolarHBondContact OD2-NH2 2.98Å
21	K	85.9	Confident	90.8	Very high	93 Å²	93	64.7 Å²	64.7	40%	0.404	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-39.1	172.8	-73.7	174.4	-177	-179.4	0	112.9	T17 E18 E19 K23 S89	T17-K21 VanDerWaalsContact O-CG 3.3Å; T17-K21 WeakPolarHBondContact O-CG 3.32Å; T17-K21 PolarHBondContact O-N 3.35Å; E18-K21 WeakPolarHBondContact O-CB 3.48Å; E18-K21 PolarHBondContact O-N 2.9Å; E19-K21 VanDerWaalsContact C-N 3.34Å; E19-K21 PolarHBondContact O-N 3.26Å; K21-K23 PolarHBondContact O-N 2.83Å; K21-S89 WeakPolarHBondContact CE-OG 3.36Å; K21-S89 VanDerWaalsContact NZ-CB 3.27Å; K21-S89 PolarHBondContact NZ-OG 2.79Å
22	K	89.9	Confident	91	Very high	134 Å²	134	60.9 Å²	60.9	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-3.1	174.6	-67.1	173.2	-162.2	163.8	0	112.8	E18 E19 D20 N24	E18-K22 WeakPolarHBondContact O-CG 3.28Å; E18-K22 PolarHBondContact O-N 3.14Å; E19-K22 CarbonylContact O-C 3.33Å; E19-K22 PolarHBondContact O-N 2.87Å; E19-K22 VanDerWaalsContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 3.06Å; E19-K22 PolarHBondContact OE1-NZ 2.87Å; D20-K22 PolarHBondContact O-N 3.24Å; K22-N24 PolarHBondContact O-N 3.29Å
23	K	88.2	Confident	91	Very high	148 Å²	148	63.7 Å²	63.7	64%	0.643	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	21.9	-174.3	-50.9	173.3	-176.5	165.1	0	113.2	E19 D20 K21 Y25	E19-K23 PolarHBondContact O-N 3.19Å; E19-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 PolarHBondContact O-N 2.86Å; K21-K23 PolarHBondContact O-N 2.83Å; K23-Y25 HydrophobicContact CB-CE1 4.34Å; K23-Y25 HydrophobicContact CB-CE2 4.19Å; K23-Y25 PolarHBondContact O-N 3.06Å; K23-Y25 VanDerWaalsContact O-N 3.09Å
24	N	91.2	Very high	91.1	Very high	68 Å²	68	66.9 Å²	66.9	36%	0.364	31%	0.307	S	S	.	.			trans	-85.5	71.2	172.4	-171.5	7.4	0	0	0	108.9	E19 K22 E26 E27 A28	E19-N24 HydrophobicContact CB-CB 4.31Å; E19-N24 PolarHBondContact O-N 2.76Å; E19-N24 VanDerWaalsContact OE2-CB 3.25Å; E19-N24 WeakPolarHBondContact OE2-CB 3.46Å; E19-N24 PolarHBondContact OE2-ND2 3.28Å; K22-N24 PolarHBondContact O-N 3.29Å; N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 3.33Å; N24-E27 WeakPolarHBondContact ND2-CB 3.12Å; N24-E27 PolarHBondContact O-N 3.08Å; N24-A28 WeakPolarHBondContact O-CB 3.41Å; N24-A28 PolarHBondContact O-N 3.23Å
25	Y	91.1	Very high	91.1	Very high	39 Å²	39	63.6 Å²	63.6	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-28.5	-167.7	-59.1	-51.8	0	0	0	114	K23 L29 L70 Y73 P82	K23-Y25 HydrophobicContact CB-CE1 4.34Å; K23-Y25 HydrophobicContact CB-CE2 4.19Å; K23-Y25 PolarHBondContact O-N 3.06Å; K23-Y25 VanDerWaalsContact O-N 3.09Å; Y25-L29 VanDerWaalsContact O-CB 3.24Å; Y25-L29 WeakPolarHBondContact O-CB 3.36Å; Y25-L29 PolarHBondContact O-N 3.38Å; Y25-L70 HydrophobicContact CD1-CD2 3.46Å; Y25-L70 VanDerWaalsContact CD1-CD2 3.46Å; Y25-L70 HydrophobicContact CE1-CD2 4.13Å; Y25-L70 HydrophobicContact CG-CD2 4Å; Y25-Y73 AromaticContact CD2-CD1 3.85Å; Y25-Y73 HydrophobicContact CD2-CD1 3.85Å; Y25-Y73 AromaticContact CD2-CE1 3.44Å; Y25-Y73 HydrophobicContact CD2-CE1 3.44Å; Y25-Y73 VanDerWaalsContact CD2-CE1 3.44Å; Y25-Y73 HydrophobicContact CE2-CD1 4.13Å; Y25-Y73 AromaticContact CE2-CE1 3.44Å; Y25-Y73 HydrophobicContact CE2-CE1 3.44Å; Y25-Y73 VanDerWaalsContact CE2-CE1 3.44Å; Y25-Y73 HydrophobicContact CG-CD1 4.45Å; Y25-Y73 HydrophobicContact CG-CE1 4.43Å; Y25-P82 HydrophobicContact CE1-CG 4.45Å
26	E	90.4	Very high	91	Very high	147 Å²	147	58.7 Å²	58.7	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-65.2	-48.4	176.3	-68.5	-179.7	178.4	0	0	110.9	N24 L29 R30 L74	N24-E26 VanDerWaalsContact C-N 3.32Å; N24-E26 PolarHBondContact O-N 3.33Å; E26-L29 PolarHBondContact O-N 3.2Å; E26-R30 PolarHBondContact O-N 3.02Å; E26-R30 VanDerWaalsContact O-N 3.13Å; E26-L74 HydrophobicContact CG-CD1 4.19Å; E26-L74 HydrophobicContact CG-CD2 3.91Å
27	E	92.9	Very high	91	Very high	62 Å²	62	64.7 Å²	64.7	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-71.4	-38.1	177.7	-171.5	60.3	-165.2	0	0	111.5	E19 N24 L29 R30 L31	E19-E27 HydrophobicContact CG-CB 4.41Å; E19-E27 HydrophobicContact CG-CG 4.04Å; N24-E27 WeakPolarHBondContact ND2-CB 3.12Å; N24-E27 PolarHBondContact O-N 3.08Å; E27-L29 VanDerWaalsContact C-N 3.34Å; E27-L29 PolarHBondContact O-N 3.01Å; E27-R30 PolarHBondContact O-N 3.19Å; E27-R30 IonicContact OE2-NH1 2.82Å; E27-L31 HydrophobicContact CG-CD1 4.01Å; E27-L31 HydrophobicContact CG-CG 4.43Å; E27-L31 WeakPolarHBondContact O-CB 3.27Å; E27-L31 VanDerWaalsContact O-CG 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.15Å; E27-L31 PolarHBondContact O-N 3.37Å
28	A	92.5	Very high	91	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-46.5	173.9	0	0	0	0	0	111.6	E19 D20 N24 R30 L31 Y32 L70	E19-A28 HydrophobicContact CB-CB 4.05Å; D20-A28 HydrophobicContact CB-CB 3.96Å; N24-A28 WeakPolarHBondContact O-CB 3.41Å; N24-A28 PolarHBondContact O-N 3.23Å; A28-R30 PolarHBondContact O-N 3.19Å; A28-L31 PolarHBondContact O-N 3.21Å; A28-Y32 HydrophobicContact CB-CE2 4.37Å; A28-Y32 WeakPolarHBondContact O-CD2 3.43Å; A28-Y32 PolarHBondContact O-N 3.47Å; A28-L70 HydrophobicContact CB-CD1 4.01Å
29	L	92.4	Very high	91.1	Very high	21 Å²	21	62.6 Å²	62.6	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-49.3	176.7	174.8	61.7	0	0	0	111.1	Y25 E26 E27 L31 Y32 E33 A67 L70 K71 L74	Y25-L29 VanDerWaalsContact O-CB 3.24Å; Y25-L29 WeakPolarHBondContact O-CB 3.36Å; Y25-L29 PolarHBondContact O-N 3.38Å; E26-L29 PolarHBondContact O-N 3.2Å; E27-L29 VanDerWaalsContact C-N 3.34Å; E27-L29 PolarHBondContact O-N 3.01Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.04Å; L29-Y32 PolarHBondContact O-N 3.22Å; L29-E33 HydrophobicContact CD1-CG 4.15Å; L29-E33 WeakPolarHBondContact O-CG 3.22Å; L29-E33 PolarHBondContact O-N 2.92Å; L29-A67 HydrophobicContact CD1-CB 3.94Å; L29-A67 VanDerWaalsContact CD1-O 3.27Å; L29-A67 WeakPolarHBondContact CD1-O 3.44Å; L29-L70 HydrophobicContact CB-CB 4.44Å; L29-L70 HydrophobicContact CD1-CB 4.41Å; L29-K71 HydrophobicContact CD1-CB 4.21Å; L29-K71 HydrophobicContact CD2-CB 4.16Å; L29-K71 HydrophobicContact CD2-CG 4.39Å; L29-L74 HydrophobicContact CB-CD1 4.39Å; L29-L74 HydrophobicContact CD2-CD1 3.76Å
30	R	93.5	Very high	90.9	Very high	159 Å²	159	65.8 Å²	65.8	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-57.9	-43.4	178.7	-176.5	-170.8	174.8	-173.2	0.4	112.1	E26 E27 A28 H34	E26-R30 PolarHBondContact O-N 3.02Å; E26-R30 VanDerWaalsContact O-N 3.13Å; E27-R30 PolarHBondContact O-N 3.19Å; E27-R30 IonicContact OE2-NH1 2.82Å; A28-R30 PolarHBondContact O-N 3.19Å; R30-H34 WeakPolarHBondContact O-CB 3.48Å; R30-H34 PolarHBondContact O-N 3.09Å; R30-H34 VanDerWaalsContact O-N 3.09Å
31	L	94.3	Very high	90.9	Very high	20 Å²	20	69.2 Å²	69.2	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-69.1	-38.7	179.8	-70.1	167.5	0	0	0	112	L12 K15 A16 E19 E27 A28 L29 A35	L12-L31 HydrophobicContact CD2-CD2 3.89Å; K15-L31 HydrophobicContact CB-CD1 3.89Å; K15-L31 HydrophobicContact CB-CD2 4.4Å; A16-L31 HydrophobicContact CB-CB 3.52Å; E19-L31 HydrophobicContact CB-CD1 4.44Å; E19-L31 HydrophobicContact CG-CD1 3.92Å; E27-L31 HydrophobicContact CG-CD1 4.01Å; E27-L31 HydrophobicContact CG-CG 4.43Å; E27-L31 WeakPolarHBondContact O-CB 3.27Å; E27-L31 VanDerWaalsContact O-CG 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.15Å; E27-L31 PolarHBondContact O-N 3.37Å; A28-L31 PolarHBondContact O-N 3.21Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.04Å; L31-A35 WeakPolarHBondContact O-CB 3.27Å; L31-A35 PolarHBondContact O-N 3.42Å
32	Y	94.3	Very high	90.9	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-45.6	173.8	-75.6	-59.2	0	0	0	112.1	A16 D20 A28 L29 H34 A35 V36 Y63 R66 L70	A16-Y32 HydrophobicContact CB-CD1 3.62Å; A16-Y32 HydrophobicContact CB-CD2 3.97Å; A16-Y32 HydrophobicContact CB-CE1 3.64Å; A16-Y32 HydrophobicContact CB-CE2 3.98Å; A16-Y32 HydrophobicContact CB-CG 3.79Å; D20-Y32 HydrophobicContact CB-CE2 4.37Å; D20-Y32 PolarHBondContact OD2-OH 3.46Å; A28-Y32 HydrophobicContact CB-CE2 4.37Å; A28-Y32 WeakPolarHBondContact O-CD2 3.43Å; A28-Y32 PolarHBondContact O-N 3.47Å; L29-Y32 PolarHBondContact O-N 3.22Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.31Å; Y32-A35 PolarHBondContact O-N 3.45Å; Y32-V36 WeakPolarHBondContact O-CG2 3.38Å; Y32-V36 PolarHBondContact O-N 3.41Å; Y32-Y63 HydrophobicContact CD1-CD1 4.13Å; Y32-Y63 HydrophobicContact CD1-CG 4.45Å; Y32-Y63 AromaticContact CE1-CD1 3.83Å; Y32-Y63 HydrophobicContact CE1-CD1 3.83Å; Y32-R66 HydrophobicContact CD2-CG 4.35Å; Y32-R66 HydrophobicContact CE1-CG 4.47Å; Y32-R66 HydrophobicContact CE2-CG 3.74Å; Y32-L70 HydrophobicContact CD2-CD1 3.81Å; Y32-L70 HydrophobicContact CE2-CD1 3.77Å
33	E	91.2	Very high	90.8	Very high	83 Å²	83	59.3 Å²	59.3	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-58	-45.2	177.2	-74.1	-178.1	155.3	0	0	110.7	L29 V36 E37 K71	L29-E33 HydrophobicContact CD1-CG 4.15Å; L29-E33 WeakPolarHBondContact O-CG 3.22Å; L29-E33 PolarHBondContact O-N 2.92Å; E33-V36 PolarHBondContact O-N 3.46Å; E33-E37 PolarHBondContact O-N 3.04Å; E33-K71 IonicContact OE1-NZ 3.13Å; E33-K71 PolarHBondContact OE1-NZ 3.32Å
34	H	92.6	Very high	90.6	Very high	76 Å²	76	59.2 Å²	59.2	35%	0.352	27%	0.271	S	S	.	.	H	α-helix	trans	-67.4	-38.3	177.4	-154.6	155.7	0	0	0	112.4	L12 R30 Y32 V36 E37 Y38	L12-H34 HydrophobicContact CD1-CB 4.19Å; R30-H34 WeakPolarHBondContact O-CB 3.48Å; R30-H34 PolarHBondContact O-N 3.09Å; R30-H34 VanDerWaalsContact O-N 3.09Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.31Å; H34-V36 VanDerWaalsContact C-N 3.31Å; H34-V36 PolarHBondContact O-N 3.06Å; H34-E37 IonicContact CD2-OE2 3.59Å; H34-E37 PolarHBondContact O-N 3.23Å; H34-Y38 AromaticContact CD2-CD2 3.68Å; H34-Y38 AromaticContact CD2-CE2 3.35Å; H34-Y38 WeakPolarHBondContact CD2-CE2 3.17Å; H34-Y38 AromaticContact NE2-CE2 3.32Å; H34-Y38 VanDerWaalsContact NE2-CE2 3.32Å; H34-Y38 WeakPolarHBondContact NE2-CE2 3.22Å; H34-Y38 WeakPolarHBondContact O-CD2 3.36Å; H34-Y38 PolarHBondContact O-N 2.88Å
35	A	91.5	Very high	90.4	Very high	0 Å²	0	63 Å²	63	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-40.9	176.2	0	0	0	0	0	112	L12 V13 L31 Y32 E37 Y38 F39	L12-A35 HydrophobicContact CB-CB 3.79Å; V13-A35 HydrophobicContact CG2-CB 3.66Å; L31-A35 WeakPolarHBondContact O-CB 3.27Å; L31-A35 PolarHBondContact O-N 3.42Å; Y32-A35 PolarHBondContact O-N 3.45Å; A35-E37 VanDerWaalsContact C-N 3.33Å; A35-E37 PolarHBondContact O-N 2.99Å; A35-Y38 PolarHBondContact O-N 3.28Å; A35-F39 HydrophobicContact CB-CE2 4.47Å; A35-F39 WeakPolarHBondContact O-CD2 3.34Å; A35-F39 PolarHBondContact O-N 2.96Å
36	V	90.4	Very high	90.1	Very high	14 Å²	14	64.5 Å²	64.5	9%	0.085	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.5	166.3	0	0	0	0	111	Y32 E33 H34 Y38 F39 L40 L64	Y32-V36 WeakPolarHBondContact O-CG2 3.38Å; Y32-V36 PolarHBondContact O-N 3.41Å; E33-V36 PolarHBondContact O-N 3.46Å; H34-V36 VanDerWaalsContact C-N 3.31Å; H34-V36 PolarHBondContact O-N 3.06Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 PolarHBondContact O-N 3.49Å; V36-F39 PolarHBondContact O-N 3.49Å; V36-L40 HydrophobicContact CG1-CD1 4.03Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CG 2.94Å; V36-L40 PolarHBondContact O-N 3.1Å; V36-L64 HydrophobicContact CG1-CD1 4.1Å; V36-L64 HydrophobicContact CG2-CB 4.32Å
37	E	90.2	Very high	89.5	Confident	125 Å²	125	58 Å²	58	58%	0.584	26%	0.261	S	S	*	.	H	α-helix	trans	-57.9	-43.7	176.4	-67.3	177.1	175	0	0	112	E33 H34 A35 L40 H41	E33-E37 PolarHBondContact O-N 3.04Å; H34-E37 IonicContact CD2-OE2 3.59Å; H34-E37 PolarHBondContact O-N 3.23Å; A35-E37 VanDerWaalsContact C-N 3.33Å; A35-E37 PolarHBondContact O-N 2.99Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-H41 WeakPolarHBondContact O-CB 3.37Å; E37-H41 PolarHBondContact O-N 2.8Å
38	Y	90.8	Very high	88.7	Confident	65 Å²	65	63.3 Å²	63.3	26%	0.255	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-35.9	176.4	-80.7	-75.8	0	0	0	113	A5 K8 L12 H34 A35 V36 H41 A42	A5-Y38 HydrophobicContact CB-CD1 4.11Å; K8-Y38 HydrophobicContact CB-CD1 3.88Å; K8-Y38 HydrophobicContact CB-CD2 4.49Å; K8-Y38 HydrophobicContact CB-CE1 3.98Å; K8-Y38 HydrophobicContact CB-CG 4.16Å; K8-Y38 HydrophobicContact CD-CD1 4.13Å; K8-Y38 HydrophobicContact CD-CE1 3.48Å; K8-Y38 VanDerWaalsContact CD-CE1 3.48Å; K8-Y38 HydrophobicContact CG-CE1 4.4Å; L12-Y38 HydrophobicContact CD1-CD2 3.34Å; L12-Y38 HydrophobicContact CD1-CE2 3.57Å; L12-Y38 HydrophobicContact CD1-CG 4.42Å; H34-Y38 AromaticContact CD2-CD2 3.68Å; H34-Y38 AromaticContact CD2-CE2 3.35Å; H34-Y38 WeakPolarHBondContact CD2-CE2 3.17Å; H34-Y38 AromaticContact NE2-CE2 3.32Å; H34-Y38 VanDerWaalsContact NE2-CE2 3.32Å; H34-Y38 WeakPolarHBondContact NE2-CE2 3.22Å; H34-Y38 WeakPolarHBondContact O-CD2 3.36Å; H34-Y38 PolarHBondContact O-N 2.88Å; A35-Y38 PolarHBondContact O-N 3.28Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 PolarHBondContact O-N 3.49Å; Y38-H41 PolarHBondContact O-N 3.06Å; Y38-A42 WeakPolarHBondContact O-CB 3.3Å; Y38-A42 PolarHBondContact O-N 3.44Å
39	F	89.7	Confident	88	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-44.4	172.7	-78.7	-57.6	0	0	0	111.9	L6 A9 V13 A35 V36 H41 A42 I43 I56 C60 Y63	L6-F39 HydrophobicContact CD1-CD1 3.96Å; L6-F39 HydrophobicContact CD1-CE1 3.83Å; A9-F39 HydrophobicContact CB-CD1 3.65Å; A9-F39 HydrophobicContact CB-CD2 3.95Å; A9-F39 HydrophobicContact CB-CE1 3.65Å; A9-F39 HydrophobicContact CB-CE2 3.93Å; A9-F39 HydrophobicContact CB-CG 3.81Å; A9-F39 HydrophobicContact CB-CZ 3.78Å; V13-F39 HydrophobicContact CG2-CE2 3.56Å; V13-F39 HydrophobicContact CG2-CZ 4Å; A35-F39 HydrophobicContact CB-CE2 4.47Å; A35-F39 WeakPolarHBondContact O-CD2 3.34Å; A35-F39 PolarHBondContact O-N 2.96Å; V36-F39 PolarHBondContact O-N 3.49Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 2.92Å; F39-A42 PolarHBondContact O-N 3.33Å; F39-I43 WeakPolarHBondContact O-CD1 3.33Å; F39-I43 VanDerWaalsContact O-CG1 3.27Å; F39-I43 WeakPolarHBondContact O-CG1 3.37Å; F39-I43 PolarHBondContact O-N 3.46Å; F39-I56 HydrophobicContact CB-CG2 4.28Å; F39-I56 HydrophobicContact CD1-CG2 3.66Å; F39-I56 HydrophobicContact CE1-CG2 4.47Å; F39-I56 HydrophobicContact CG-CG2 4.37Å; F39-C60 HydrophobicContact CB-CB 3.95Å; F39-C60 HydrophobicContact CD2-CB 4.48Å; F39-C60 HydrophobicContact CG-CB 4.29Å; F39-Y63 HydrophobicContact CD2-CD2 4.22Å; F39-Y63 AromaticContact CE2-CD2 3.46Å; F39-Y63 HydrophobicContact CE2-CD2 3.46Å; F39-Y63 VanDerWaalsContact CE2-CD2 3.46Å; F39-Y63 AromaticContact CE2-CE2 3.67Å; F39-Y63 HydrophobicContact CE2-CE2 3.67Å; F39-Y63 HydrophobicContact CZ-CD2 4.08Å; F39-Y63 AromaticContact CZ-CE2 3.79Å; F39-Y63 HydrophobicContact CZ-CE2 3.79Å
40	L	87.5	Confident	87.3	Confident	100 Å²	100	69.9 Å²	69.9	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.9	-68.8	174.9	0	0	0	111.3	V36 E37 I43 K44	V36-L40 HydrophobicContact CG1-CD1 4.03Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CG 2.94Å; V36-L40 PolarHBondContact O-N 3.1Å; E37-L40 PolarHBondContact O-N 3.3Å; L40-I43 HydrophobicContact CD2-CD1 4.47Å; L40-I43 PolarHBondContact O-N 2.89Å; L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 PolarHBondContact O-N 3.3Å
41	H	88	Confident	86.4	Confident	90 Å²	90	70.2 Å²	70.2	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-45	173.1	-170.6	-78.3	0	0	0	111.7	A5 E37 Y38 F39 K44 Y45	A5-H41 HydrophobicContact CB-CB 4.35Å; A5-H41 WeakPolarHBondContact CB-ND1 3.42Å; E37-H41 WeakPolarHBondContact O-CB 3.37Å; E37-H41 PolarHBondContact O-N 2.8Å; Y38-H41 PolarHBondContact O-N 3.06Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 2.92Å; H41-K44 PolarHBondContact O-N 3.28Å; H41-Y45 AromaticContact CD2-CD2 3.62Å; H41-Y45 AromaticContact CD2-CE2 3.77Å; H41-Y45 AromaticContact CE1-CD2 3.63Å; H41-Y45 AromaticContact CG-CD2 3.86Å; H41-Y45 AromaticContact ND1-CD2 3.87Å; H41-Y45 AromaticContact NE2-CD2 3.46Å; H41-Y45 WeakPolarHBondContact NE2-CD2 3.31Å; H41-Y45 AromaticContact NE2-CE2 3.78Å; H41-Y45 WeakPolarHBondContact O-CD2 3.43Å; H41-Y45 PolarHBondContact O-N 3.43Å
42	A	87.2	Confident	85.6	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.351	C	S	.	.	I	π-helix	trans	-62.6	-42.3	177	0	0	0	0	0	112	A5 L6 Y38 F39 K44 E46 A47	A5-A42 HydrophobicContact CB-CB 4.29Å; L6-A42 HydrophobicContact CB-CB 4Å; L6-A42 HydrophobicContact CD1-CB 4.39Å; Y38-A42 WeakPolarHBondContact O-CB 3.3Å; Y38-A42 PolarHBondContact O-N 3.44Å; F39-A42 PolarHBondContact O-N 3.33Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 2.98Å; A42-E46 HydrophobicContact CB-CB 4.48Å; A42-E46 CarbonylContact O-C 3.58Å; A42-E46 WeakPolarHBondContact O-CA 3.46Å; A42-E46 PolarHBondContact O-N 3Å; A42-A47 WeakPolarHBondContact O-CB 3.48Å; A42-A47 PolarHBondContact O-N 2.83Å
43	I	86.4	Confident	84.9	Confident	20 Å²	20	75.8 Å²	75.8	10%	0.103	36%	0.362	C	S	.	.	I	π-helix	trans	-61.1	-40.7	175.7	-69.1	159.6	0	0	0	111.2	F39 L40 K53 I56 R57	F39-I43 WeakPolarHBondContact O-CD1 3.33Å; F39-I43 VanDerWaalsContact O-CG1 3.27Å; F39-I43 WeakPolarHBondContact O-CG1 3.37Å; F39-I43 PolarHBondContact O-N 3.46Å; L40-I43 HydrophobicContact CD2-CD1 4.47Å; L40-I43 PolarHBondContact O-N 2.89Å; I43-K53 HydrophobicContact CG2-CG 4.38Å; I43-I56 HydrophobicContact CD1-CB 4.37Å; I43-I56 HydrophobicContact CD1-CG2 3.83Å; I43-I56 HydrophobicContact CG1-CB 3.86Å; I43-I56 HydrophobicContact CG1-CG2 3.5Å; I43-I56 VanDerWaalsContact CG1-CG2 3.5Å; I43-R57 HydrophobicContact CD1-CB 4.46Å; I43-R57 HydrophobicContact CD1-CG 3.66Å; I43-R57 HydrophobicContact CG1-CG 4.39Å
44	K	85	Confident	84.4	Confident	146 Å²	146	75.9 Å²	75.9	64%	0.635	37%	0.365	S	S	*	.	I	π-helix	trans	-77.1	-38.4	-174.7	-169.9	173	178	-168.7	0	112.9	L40 H41 A42	L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 PolarHBondContact O-N 3.3Å; H41-K44 PolarHBondContact O-N 3.28Å; A42-K44 VanDerWaalsContact C-N 3.3Å; A42-K44 PolarHBondContact O-N 2.98Å
45	Y	86.3	Confident	83.8	Confident	147 Å²	147	76 Å²	76	58%	0.576	37%	0.371	S	S	*	.	I	π-helix	trans	-123.9	-21.9	-167.2	-56.4	-68	0	0	0	115.6	H41	H41-Y45 AromaticContact CD2-CD2 3.62Å; H41-Y45 AromaticContact CD2-CE2 3.77Å; H41-Y45 AromaticContact CE1-CD2 3.63Å; H41-Y45 AromaticContact CG-CD2 3.86Å; H41-Y45 AromaticContact ND1-CD2 3.87Å; H41-Y45 AromaticContact NE2-CD2 3.46Å; H41-Y45 WeakPolarHBondContact NE2-CD2 3.31Å; H41-Y45 AromaticContact NE2-CE2 3.78Å; H41-Y45 WeakPolarHBondContact O-CD2 3.43Å; H41-Y45 PolarHBondContact O-N 3.43Å
46	E	84.3	Confident	83.5	Confident	70 Å²	70	76.6 Å²	76.6	33%	0.327	37%	0.374	S	S	.	.	I	π-helix	trans	-108	-34.6	-175.6	-61	-170	159.3	0	0	113.5	S4 A5 L6 A42 Q48	S4-E46 WeakPolarHBondContact CA-OE1 3.22Å; S4-E46 WeakPolarHBondContact CB-OE2 3.44Å; A5-E46 HydrophobicContact CB-CG 4.45Å; A5-E46 WeakPolarHBondContact CB-OE1 3.45Å; A5-E46 VanDerWaalsContact N-CD 3.28Å; A5-E46 PolarHBondContact N-OE1 2.88Å; A5-E46 PolarHBondContact N-OE2 3.21Å; A5-E46 VanDerWaalsContact N-OE2 3.13Å; L6-E46 PolarHBondContact N-OE2 3.44Å; A42-E46 HydrophobicContact CB-CB 4.48Å; A42-E46 CarbonylContact O-C 3.58Å; A42-E46 WeakPolarHBondContact O-CA 3.46Å; A42-E46 PolarHBondContact O-N 3Å; E46-Q48 PolarHBondContact O-N 3.17Å
47	A	78.5	Confident	83.2	Confident	11 Å²	11	81.5 Å²	81.5	9%	0.091	39%	0.391	C	S	.	.			trans	-72.2	123.4	-174.4	0	0	0	0	0	111.8	A42 Q52 K53 I56	A42-A47 WeakPolarHBondContact O-CB 3.48Å; A42-A47 PolarHBondContact O-N 2.83Å; A47-Q52 HydrophobicContact CB-CG 4.37Å; A47-K53 HydrophobicContact CB-CG 3.59Å; A47-K53 WeakPolarHBondContact O-CE 3.34Å; A47-I56 HydrophobicContact CB-CD1 3.92Å
48	Q	76.5	Confident	82.8	Confident	173 Å²	173	78.3 Å²	78.3	81%	0.808	38%	0.383	S	S	*	.			trans	-105.4	119.2	175.7	-61.6	-153	-6.5	0	0	110.2	E46 Q52	E46-Q48 PolarHBondContact O-N 3.17Å; Q48-Q52 PolarHBondContact O-OE1 3.35Å
49	G	76.7	Confident	82.4	Confident	45 Å²	45	78.7 Å²	78.7	46%	0.464	39%	0.386	S	S	.	.	S	Bend	trans	89.5	154.1	-178.7	0	0	0	0	0	114.6	K53	G49-K53 WeakPolarHBondContact O-CG 3.43Å; G49-K53 PolarHBondContact O-N 3.1Å
50	D	78.8	Confident	82.3	Confident	115 Å²	115	79 Å²	79	62%	0.615	39%	0.389	S	S	*	.	H	α-helix	trans	-70	-37.9	-172.8	-65.7	-37.8	0	0	0	112.7	Q52 K53 D54	D50-Q52 PolarHBondContact O-N 3.47Å; D50-K53 CarbonylContact O-C 3.5Å; D50-K53 WeakPolarHBondContact O-CB 3.3Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 VanDerWaalsContact O-N 3.14Å; D50-D54 WeakPolarHBondContact O-CB 3.4Å; D50-D54 VanDerWaalsContact O-CG 3.25Å; D50-D54 PolarHBondContact O-N 3.07Å
51	K	74.8	Confident	82.2	Confident	165 Å²	165	76.1 Å²	76.1	72%	0.717	38%	0.383	S	S	*	.	H	α-helix	trans	-56.3	-47.2	177.1	-70.3	-169.1	176.1	-168.3	0	112.4	D54 T55	K51-D54 PolarHBondContact O-N 3.5Å; K51-T55 PolarHBondContact O-N 2.91Å; K51-T55 PolarHBondContact O-OG1 3.33Å; K51-T55 VanDerWaalsContact O-OG1 3.07Å
52	Q	77.2	Confident	82.1	Confident	84 Å²	84	75.8 Å²	75.8	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-40.5	178.9	-169.1	-178.8	30	0	0	111.2	A47 Q48 D50 D54 T55 I56	A47-Q52 HydrophobicContact CB-CG 4.37Å; Q48-Q52 PolarHBondContact O-OE1 3.35Å; D50-Q52 PolarHBondContact O-N 3.47Å; Q52-D54 VanDerWaalsContact C-N 3.34Å; Q52-D54 PolarHBondContact O-N 2.77Å; Q52-T55 PolarHBondContact O-N 3.36Å; Q52-I56 HydrophobicContact CG-CD1 4.02Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.38Å; Q52-I56 PolarHBondContact O-N 3.46Å
53	K	79.3	Confident	82.2	Confident	58 Å²	58	77.4 Å²	77.4	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-41	175.3	-71.2	176.1	179.2	177.4	0	111.8	I43 A47 G49 D50 I56 R57	I43-K53 HydrophobicContact CG2-CG 4.38Å; A47-K53 HydrophobicContact CB-CG 3.59Å; A47-K53 WeakPolarHBondContact O-CE 3.34Å; G49-K53 WeakPolarHBondContact O-CG 3.43Å; G49-K53 PolarHBondContact O-N 3.1Å; D50-K53 CarbonylContact O-C 3.5Å; D50-K53 WeakPolarHBondContact O-CB 3.3Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 VanDerWaalsContact O-N 3.14Å; K53-I56 PolarHBondContact O-N 3.32Å; K53-R57 WeakPolarHBondContact O-CB 3.34Å; K53-R57 WeakPolarHBondContact O-CG 3.43Å; K53-R57 PolarHBondContact O-N 3.19Å
54	D	80.9	Confident	82.3	Confident	86 Å²	86	79.9 Å²	79.9	46%	0.46	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-43.9	178.7	-69.7	-23.5	0	0	0	111.6	D50 K51 Q52 I56 R57 S58	D50-D54 WeakPolarHBondContact O-CB 3.4Å; D50-D54 VanDerWaalsContact O-CG 3.25Å; D50-D54 PolarHBondContact O-N 3.07Å; K51-D54 PolarHBondContact O-N 3.5Å; Q52-D54 VanDerWaalsContact C-N 3.34Å; Q52-D54 PolarHBondContact O-N 2.77Å; D54-I56 PolarHBondContact O-N 3.03Å; D54-R57 PolarHBondContact O-N 3.33Å; D54-R57 IonicContact OD1-CZ 2.89Å; D54-R57 IonicContact OD1-NH1 2.83Å; D54-R57 PolarHBondContact OD1-NH1 3.41Å; D54-S58 WeakPolarHBondContact O-CB 3.36Å; D54-S58 PolarHBondContact O-N 3.46Å
55	T	79.2	Confident	82.3	Confident	78 Å²	78	76.5 Å²	76.5	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-46.3	174.2	-51.8	0	0	0	0	111.7	K51 Q52 S58 K59	K51-T55 PolarHBondContact O-N 2.91Å; K51-T55 PolarHBondContact O-OG1 3.33Å; K51-T55 VanDerWaalsContact O-OG1 3.07Å; Q52-T55 PolarHBondContact O-N 3.36Å; T55-S58 PolarHBondContact O-N 3.44Å; T55-K59 PolarHBondContact O-N 3.37Å; T55-K59 VanDerWaalsContact O-N 3.17Å
56	I	84.9	Confident	82.5	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-66.7	-40.9	179.4	-60.8	165.3	0	0	0	110.6	L6 F39 I43 A47 Q52 K53 D54 S58 K59 C60	L6-I56 HydrophobicContact CD1-CD1 4.22Å; L6-I56 HydrophobicContact CD1-CG1 4.2Å; L6-I56 HydrophobicContact CD1-CG2 4.38Å; L6-I56 HydrophobicContact CD2-CD1 4.29Å; F39-I56 HydrophobicContact CB-CG2 4.28Å; F39-I56 HydrophobicContact CD1-CG2 3.66Å; F39-I56 HydrophobicContact CE1-CG2 4.47Å; F39-I56 HydrophobicContact CG-CG2 4.37Å; I43-I56 HydrophobicContact CD1-CB 4.37Å; I43-I56 HydrophobicContact CD1-CG2 3.83Å; I43-I56 HydrophobicContact CG1-CB 3.86Å; I43-I56 HydrophobicContact CG1-CG2 3.5Å; I43-I56 VanDerWaalsContact CG1-CG2 3.5Å; A47-I56 HydrophobicContact CB-CD1 3.92Å; Q52-I56 HydrophobicContact CG-CD1 4.02Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.38Å; Q52-I56 PolarHBondContact O-N 3.46Å; K53-I56 PolarHBondContact O-N 3.32Å; D54-I56 PolarHBondContact O-N 3.03Å; I56-S58 PolarHBondContact O-N 3.35Å; I56-K59 PolarHBondContact O-N 2.88Å; I56-C60 VanDerWaalsContact O-CB 3.27Å; I56-C60 WeakPolarHBondContact O-CB 3.01Å; I56-C60 PolarHBondContact O-N 3.1Å
57	R	85.2	Confident	82.7	Confident	117 Å²	117	66.8 Å²	66.8	44%	0.442	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.9	-81.2	-175.6	-146.8	122.4	1.9	112.1	I43 K53 D54 K59 C60 G61	I43-R57 HydrophobicContact CD1-CB 4.46Å; I43-R57 HydrophobicContact CD1-CG 3.66Å; I43-R57 HydrophobicContact CG1-CG 4.39Å; K53-R57 WeakPolarHBondContact O-CB 3.34Å; K53-R57 WeakPolarHBondContact O-CG 3.43Å; K53-R57 PolarHBondContact O-N 3.19Å; D54-R57 PolarHBondContact O-N 3.33Å; D54-R57 IonicContact OD1-CZ 2.89Å; D54-R57 IonicContact OD1-NH1 2.83Å; D54-R57 PolarHBondContact OD1-NH1 3.41Å; R57-K59 VanDerWaalsContact C-N 3.35Å; R57-K59 PolarHBondContact O-N 3.4Å; R57-C60 PolarHBondContact O-N 3.2Å; R57-G61 PolarHBondContact O-N 3.41Å
58	S	81.9	Confident	83.2	Confident	58 Å²	58	71.7 Å²	71.7	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-47.1	178.1	-170.6	0	0	0	0	111.2	D54 T55 I56 G61 Q62	D54-S58 WeakPolarHBondContact O-CB 3.36Å; D54-S58 PolarHBondContact O-N 3.46Å; T55-S58 PolarHBondContact O-N 3.44Å; I56-S58 PolarHBondContact O-N 3.35Å; S58-G61 PolarHBondContact O-N 3.36Å; S58-Q62 PolarHBondContact O-N 3.49Å
59	K	83	Confident	83.7	Confident	73 Å²	73	67.6 Å²	67.6	32%	0.317	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-45	176.6	-70.5	-172.3	176.9	-171.8	0	112.1	T55 I56 R57 G61 Q62 Y63	T55-K59 PolarHBondContact O-N 3.37Å; T55-K59 VanDerWaalsContact O-N 3.17Å; I56-K59 PolarHBondContact O-N 2.88Å; R57-K59 VanDerWaalsContact C-N 3.35Å; R57-K59 PolarHBondContact O-N 3.4Å; K59-G61 VanDerWaalsContact C-N 3.26Å; K59-G61 PolarHBondContact O-N 3.24Å; K59-Q62 PolarHBondContact O-N 2.73Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; K59-Y63 HydrophobicContact CB-CE2 4.13Å; K59-Y63 WeakPolarHBondContact O-CD2 3.48Å; K59-Y63 PolarHBondContact O-N 3.41Å
60	C	87.6	Confident	84.2	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-56.4	-41.3	176.5	-171.1	0	0	0	0	111.8	F39 I56 R57 Y63 L64	F39-C60 HydrophobicContact CB-CB 3.95Å; F39-C60 HydrophobicContact CD2-CB 4.48Å; F39-C60 HydrophobicContact CG-CB 4.29Å; I56-C60 VanDerWaalsContact O-CB 3.27Å; I56-C60 WeakPolarHBondContact O-CB 3.01Å; I56-C60 PolarHBondContact O-N 3.1Å; R57-C60 PolarHBondContact O-N 3.2Å; C60-Y63 PolarHBondContact O-N 2.83Å; C60-L64 WeakPolarHBondContact O-CB 3.16Å; C60-L64 PolarHBondContact O-N 2.88Å
61	G	84.9	Confident	84.7	Confident	40 Å²	40	64.2 Å²	64.2	41%	0.412	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-40.4	176.8	0	0	0	0	0	113.3	R57 S58 K59 L64 D65	R57-G61 PolarHBondContact O-N 3.41Å; S58-G61 PolarHBondContact O-N 3.36Å; K59-G61 VanDerWaalsContact C-N 3.26Å; K59-G61 PolarHBondContact O-N 3.24Å; G61-L64 PolarHBondContact O-N 3.25Å; G61-D65 PolarHBondContact O-N 3.48Å
62	Q	85.7	Confident	85.3	Confident	83 Å²	83	62.5 Å²	62.5	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-42.9	177.1	-68.6	173.8	-2.6	0	0	112.3	S58 K59 R66	S58-Q62 PolarHBondContact O-N 3.49Å; K59-Q62 PolarHBondContact O-N 2.73Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; Q62-R66 PolarHBondContact O-N 3.16Å; Q62-R66 VanDerWaalsContact O-N 3.11Å
63	Y	88.7	Confident	85.5	Confident	33 Å²	33	62.1 Å²	62.1	13%	0.129	31%	0.309	C	S	.	.	H	α-helix	trans	-70.8	-33.6	178.1	-59.9	-52.2	0	0	0	112.5	V13 Y32 F39 K59 C60 R66 A67	V13-Y63 HydrophobicContact CB-CE1 4.42Å; V13-Y63 HydrophobicContact CB-CE2 4.47Å; V13-Y63 HydrophobicContact CG1-CD1 3.98Å; V13-Y63 HydrophobicContact CG1-CE1 3.32Å; V13-Y63 HydrophobicContact CG1-CE2 4.01Å; V13-Y63 WeakPolarHBondContact CG1-OH 3.43Å; V13-Y63 HydrophobicContact CG2-CD1 4.19Å; V13-Y63 HydrophobicContact CG2-CD2 3.72Å; V13-Y63 HydrophobicContact CG2-CE1 4.15Å; V13-Y63 HydrophobicContact CG2-CE2 3.65Å; V13-Y63 HydrophobicContact CG2-CG 4.01Å; Y32-Y63 HydrophobicContact CD1-CD1 4.13Å; Y32-Y63 HydrophobicContact CD1-CG 4.45Å; Y32-Y63 AromaticContact CE1-CD1 3.83Å; Y32-Y63 HydrophobicContact CE1-CD1 3.83Å; F39-Y63 HydrophobicContact CD2-CD2 4.22Å; F39-Y63 AromaticContact CE2-CD2 3.46Å; F39-Y63 HydrophobicContact CE2-CD2 3.46Å; F39-Y63 VanDerWaalsContact CE2-CD2 3.46Å; F39-Y63 AromaticContact CE2-CE2 3.67Å; F39-Y63 HydrophobicContact CE2-CE2 3.67Å; F39-Y63 HydrophobicContact CZ-CD2 4.08Å; F39-Y63 AromaticContact CZ-CE2 3.79Å; F39-Y63 HydrophobicContact CZ-CE2 3.79Å; K59-Y63 HydrophobicContact CB-CE2 4.13Å; K59-Y63 WeakPolarHBondContact O-CD2 3.48Å; K59-Y63 PolarHBondContact O-N 3.41Å; C60-Y63 PolarHBondContact O-N 2.83Å; Y63-R66 PolarHBondContact O-N 2.93Å; Y63-A67 WeakPolarHBondContact O-CB 3.14Å; Y63-A67 PolarHBondContact O-N 3.42Å
64	L	87.9	Confident	85.8	Confident	73 Å²	73	62.6 Å²	62.6	38%	0.382	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.6	-170.5	133.7	0	0	0	111.6	V36 C60 G61 R66 A67 E68	V36-L64 HydrophobicContact CG1-CD1 4.1Å; V36-L64 HydrophobicContact CG2-CB 4.32Å; C60-L64 WeakPolarHBondContact O-CB 3.16Å; C60-L64 PolarHBondContact O-N 2.88Å; G61-L64 PolarHBondContact O-N 3.25Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.99Å; L64-A67 WeakPolarHBondContact O-CB 3Å; L64-A67 PolarHBondContact O-N 3.47Å; L64-A67 VanDerWaalsContact O-N 3.16Å; L64-E68 HydrophobicContact CD2-CG 4.48Å; L64-E68 WeakPolarHBondContact CD2-OE1 3.28Å; L64-E68 WeakPolarHBondContact O-CG 3.24Å; L64-E68 PolarHBondContact O-N 3.15Å
65	D	86.3	Confident	85.9	Confident	74 Å²	74	66.3 Å²	66.3	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-38.9	173.6	174.8	64.8	0	0	0	111.9	G61 E68 K69	G61-D65 PolarHBondContact O-N 3.48Å; D65-E68 PolarHBondContact O-N 3.32Å; D65-K69 WeakPolarHBondContact O-CG 3.16Å; D65-K69 PolarHBondContact O-N 3.29Å; D65-K69 VanDerWaalsContact O-N 3.08Å; D65-K69 WeakPolarHBondContact OD1-CE 3.48Å; D65-K69 IonicContact OD1-NZ 3.86Å; D65-K69 WeakPolarHBondContact OD2-CE 3.4Å; D65-K69 IonicContact OD2-NZ 2.71Å; D65-K69 PolarHBondContact OD2-NZ 3.44Å
66	R	89.6	Confident	85.7	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-43.3	174.5	-176.2	54.4	177.9	172.2	6.4	112.2	D20 Y32 Q62 Y63 L64 E68 K69 L70 V83 A85	D20-R66 VanDerWaalsContact CG-NH2 3.28Å; D20-R66 IonicContact OD1-CZ 3.79Å; D20-R66 IonicContact OD1-NE 2.79Å; D20-R66 IonicContact OD1-NH2 2.79Å; D20-R66 PolarHBondContact OD1-NH2 3.35Å; D20-R66 IonicContact OD2-CZ 3.44Å; D20-R66 VanDerWaalsContact OD2-CZ 3.29Å; D20-R66 IonicContact OD2-NE 2.6Å; D20-R66 PolarHBondContact OD2-NE 2.91Å; D20-R66 IonicContact OD2-NH2 2.78Å; D20-R66 PolarHBondContact OD2-NH2 2.98Å; Y32-R66 HydrophobicContact CD2-CG 4.35Å; Y32-R66 HydrophobicContact CE1-CG 4.47Å; Y32-R66 HydrophobicContact CE2-CG 3.74Å; Q62-R66 PolarHBondContact O-N 3.16Å; Q62-R66 VanDerWaalsContact O-N 3.11Å; Y63-R66 PolarHBondContact O-N 2.93Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.99Å; R66-E68 VanDerWaalsContact C-N 3.34Å; R66-K69 PolarHBondContact O-N 3.4Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.48Å; R66-V83 PolarHBondContact NH1-O 2.98Å; R66-A85 HydrophobicContact CB-CB 4.15Å; R66-A85 HydrophobicContact CG-CB 4Å
67	A	88.5	Confident	84.4	Confident	9 Å²	9	69 Å²	69	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-43.6	176.3	0	0	0	0	0	111.3	L29 Y63 L64 K69 L70 K71	L29-A67 HydrophobicContact CD1-CB 3.94Å; L29-A67 VanDerWaalsContact CD1-O 3.27Å; L29-A67 WeakPolarHBondContact CD1-O 3.44Å; Y63-A67 WeakPolarHBondContact O-CB 3.14Å; Y63-A67 PolarHBondContact O-N 3.42Å; L64-A67 WeakPolarHBondContact O-CB 3Å; L64-A67 PolarHBondContact O-N 3.47Å; L64-A67 VanDerWaalsContact O-N 3.16Å; A67-K69 PolarHBondContact O-N 2.83Å; A67-L70 PolarHBondContact O-N 2.6Å; A67-K71 WeakPolarHBondContact O-CB 3.05Å; A67-K71 PolarHBondContact O-N 3.3Å
68	E	88.9	Confident	82.5	Confident	114 Å²	114	71.5 Å²	71.5	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176.9	-73.3	-180	172.1	0	0	112.2	L64 D65 R66 L70 K71 E72	L64-E68 HydrophobicContact CD2-CG 4.48Å; L64-E68 WeakPolarHBondContact CD2-OE1 3.28Å; L64-E68 WeakPolarHBondContact O-CG 3.24Å; L64-E68 PolarHBondContact O-N 3.15Å; D65-E68 PolarHBondContact O-N 3.32Å; R66-E68 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.75Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 2.95Å; E68-E72 PolarHBondContact O-N 3.13Å
69	K	87.5	Confident	80.7	Confident	87 Å²	87	77.2 Å²	77.2	38%	0.378	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-40.8	175.3	-72.8	168.5	179.7	163.9	0	112.8	D65 R66 A67 Y73	D65-K69 WeakPolarHBondContact O-CG 3.16Å; D65-K69 PolarHBondContact O-N 3.29Å; D65-K69 VanDerWaalsContact O-N 3.08Å; D65-K69 WeakPolarHBondContact OD1-CE 3.48Å; D65-K69 IonicContact OD1-NZ 3.86Å; D65-K69 WeakPolarHBondContact OD2-CE 3.4Å; D65-K69 IonicContact OD2-NZ 2.71Å; D65-K69 PolarHBondContact OD2-NZ 3.44Å; R66-K69 PolarHBondContact O-N 3.4Å; A67-K69 PolarHBondContact O-N 2.83Å; K69-Y73 WeakPolarHBondContact O-CB 3.38Å; K69-Y73 PolarHBondContact O-N 3.2Å
70	L	87.9	Confident	78.9	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-66.5	-41.1	175.5	-72.9	178.9	0	0	0	111.4	Y25 A28 L29 Y32 R66 A67 E68 Y73 L74 P82	Y25-L70 HydrophobicContact CD1-CD2 3.46Å; Y25-L70 VanDerWaalsContact CD1-CD2 3.46Å; Y25-L70 HydrophobicContact CE1-CD2 4.13Å; Y25-L70 HydrophobicContact CG-CD2 4Å; A28-L70 HydrophobicContact CB-CD1 4.01Å; L29-L70 HydrophobicContact CB-CB 4.44Å; L29-L70 HydrophobicContact CD1-CB 4.41Å; Y32-L70 HydrophobicContact CD2-CD1 3.81Å; Y32-L70 HydrophobicContact CE2-CD1 3.77Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.48Å; A67-L70 PolarHBondContact O-N 2.6Å; E68-L70 PolarHBondContact O-N 2.75Å; L70-Y73 WeakPolarHBondContact O-CB 3.26Å; L70-Y73 PolarHBondContact O-N 2.8Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.58Å; L70-P82 HydrophobicContact CD2-CG 4.28Å
71	K	89.7	Confident	77.1	Confident	90 Å²	90	90.8 Å²	90.8	39%	0.391	45%	0.446	S	S	.	.	H	α-helix	trans	-63.3	-41.6	177.2	-168.5	172	-165.9	152.7	0	112	L29 E33 A67 E68 K75	L29-K71 HydrophobicContact CD1-CB 4.21Å; L29-K71 HydrophobicContact CD2-CB 4.16Å; L29-K71 HydrophobicContact CD2-CG 4.39Å; E33-K71 IonicContact OE1-NZ 3.13Å; E33-K71 PolarHBondContact OE1-NZ 3.32Å; A67-K71 WeakPolarHBondContact O-CB 3.05Å; A67-K71 PolarHBondContact O-N 3.3Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 2.95Å; K71-K75 WeakPolarHBondContact O-CB 3.37Å; K71-K75 WeakPolarHBondContact O-CG 3.3Å; K71-K75 PolarHBondContact O-N 3.38Å
72	E	86	Confident	75.1	Confident	128 Å²	128	89.9 Å²	89.9	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-43.2	174	-169.5	-179.1	-173.3	0	0	111.6	E68 L74 K75 T76	E68-E72 PolarHBondContact O-N 3.13Å; E72-L74 PolarHBondContact O-N 2.65Å; E72-K75 PolarHBondContact O-N 2.92Å; E72-T76 HydrophobicContact CG-CG2 4.29Å; E72-T76 WeakPolarHBondContact O-CB 3.16Å; E72-T76 WeakPolarHBondContact O-CG2 3.41Å; E72-T76 PolarHBondContact O-N 2.85Å; E72-T76 PolarHBondContact O-OG1 3.19Å
73	Y	81.9	Confident	73.4	Confident	77 Å²	77	91.8 Å²	91.8	30%	0.302	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-44	176.2	179.9	-99.4	0	0	0	112.6	Y25 K69 L70 G77 P82	Y25-Y73 AromaticContact CD2-CD1 3.85Å; Y25-Y73 HydrophobicContact CD2-CD1 3.85Å; Y25-Y73 AromaticContact CD2-CE1 3.44Å; Y25-Y73 HydrophobicContact CD2-CE1 3.44Å; Y25-Y73 VanDerWaalsContact CD2-CE1 3.44Å; Y25-Y73 HydrophobicContact CE2-CD1 4.13Å; Y25-Y73 AromaticContact CE2-CE1 3.44Å; Y25-Y73 HydrophobicContact CE2-CE1 3.44Å; Y25-Y73 VanDerWaalsContact CE2-CE1 3.44Å; Y25-Y73 HydrophobicContact CG-CD1 4.45Å; Y25-Y73 HydrophobicContact CG-CE1 4.43Å; K69-Y73 WeakPolarHBondContact O-CB 3.38Å; K69-Y73 PolarHBondContact O-N 3.2Å; L70-Y73 WeakPolarHBondContact O-CB 3.26Å; L70-Y73 PolarHBondContact O-N 2.8Å; Y73-G77 PolarHBondContact O-N 2.93Å; Y73-P82 HydrophobicContact CD2-CG 4.31Å; Y73-P82 HydrophobicContact CG-CG 4.25Å
74	L	86.3	Confident	71.4	Confident	68 Å²	68	97.9 Å²	97.9	36%	0.356	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-33.3	177.9	-71	170.8	0	0	0	112.4	E26 L29 L70 E72	E26-L74 HydrophobicContact CG-CD1 4.19Å; E26-L74 HydrophobicContact CG-CD2 3.91Å; L29-L74 HydrophobicContact CB-CD1 4.39Å; L29-L74 HydrophobicContact CD2-CD1 3.76Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.58Å; E72-L74 PolarHBondContact O-N 2.65Å
75	K	82.6	Confident	69.2	Low	163 Å²	163	96.7 Å²	96.7	71%	0.709	48%	0.478	S	S	*	.	H	α-helix	trans	-74.3	-38.2	176.3	-78.5	-178	176.9	-174	0	113.7	K71 E72	K71-K75 WeakPolarHBondContact O-CB 3.37Å; K71-K75 WeakPolarHBondContact O-CG 3.3Å; K71-K75 PolarHBondContact O-N 3.38Å; E72-K75 PolarHBondContact O-N 2.92Å
76	T	74.8	Confident	66.8	Low	91 Å²	91	97.6 Å²	97.6	56%	0.558	48%	0.48	S	S	*	.	H	α-helix	trans	-88.6	-12.1	-170.2	53	0	0	0	0	114	E72 K78	E72-T76 HydrophobicContact CG-CG2 4.29Å; E72-T76 WeakPolarHBondContact O-CB 3.16Å; E72-T76 WeakPolarHBondContact O-CG2 3.41Å; E72-T76 PolarHBondContact O-N 2.85Å; E72-T76 PolarHBondContact O-OG1 3.19Å; T76-K78 PolarHBondContact O-N 2.78Å
77	G	56.5	Low	64.1	Low	57 Å²	57	100 Å²	100	59%	0.588	50%	0.495	S	S	*	.			trans	64.4	-4.6	164	0	0	0	0	0	118.1	Y73	Y73-G77 PolarHBondContact O-N 2.93Å
78	K	46.7	Very low	61.6	Low	169 Å²	169	103.5 Å²	103.5	74%	0.735	51%	0.51	S	S	*	.	S	Bend	trans	-174.6	143.5	176.7	-104.2	152.3	-166.4	-174.4	0	115.2	T76	T76-K78 PolarHBondContact O-N 2.78Å
79	H	44.3	Very low	58.8	Low	178 Å²	178	101.4 Å²	101.4	82%	0.824	51%	0.508	S	S	*	.	S	Bend	trans	105.8	-4.1	153.5	-69.3	-61.4	0	0	0	125.1
80	K	45.4	Very low	56.5	Low	189 Å²	189	103.3 Å²	103.3	82%	0.822	52%	0.516	S	S	*	.			trans	-147.4	129.6	162.6	-112.6	173.8	-179.6	177.2	0	111.5
81	K	48.1	Very low	53.6	Low	179 Å²	179	110.7 Å²	110.7	78%	0.778	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-61.3	133.5	175.4	-72.3	177	179.9	172	0	108.7	V83	K81-V83 PolarHBondContact O-N 3.38Å; K81-V83 VanDerWaalsContact O-N 3.16Å
82	P	44.4	Very low	51	Low	22 Å²	22	111 Å²	111	14%	0.143	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-66.5	118.4	176.4	27.9	-32.4	0	0	0	108.2	Y25 L70 Y73 K84	Y25-P82 HydrophobicContact CE1-CG 4.45Å; L70-P82 HydrophobicContact CD2-CG 4.28Å; Y73-P82 HydrophobicContact CD2-CG 4.31Å; Y73-P82 HydrophobicContact CG-CG 4.25Å; P82-K84 PolarHBondContact O-N 3.11Å
83	V	49.8	Very low	48.2	Very low	123 Å²	123	110.6 Å²	110.6	75%	0.745	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-56.4	123.7	177.2	-178.4	0	0	0	0	107.9	R66 K81	R66-V83 PolarHBondContact NH1-O 2.98Å; K81-V83 PolarHBondContact O-N 3.38Å; K81-V83 VanDerWaalsContact O-N 3.16Å
84	K	46.4	Very low	45.8	Very low	161 Å²	161	114.1 Å²	114.1	70%	0.7	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-54.3	138.5	-174.7	-70.7	179.2	174.9	-178.9	0	110.3	P82 E86	P82-K84 PolarHBondContact O-N 3.11Å; K84-E86 PolarHBondContact O-N 2.77Å
85	A	42.2	Very low	43	Very low	48 Å²	48	116 Å²	116	40%	0.397	62%	0.623	S	S	.	*			trans	-68	113.6	156.9	0	0	0	0	0	106.3	R66 T87	R66-A85 HydrophobicContact CB-CB 4.15Å; R66-A85 HydrophobicContact CG-CB 4Å; A85-T87 VanDerWaalsContact C-N 3.35Å; A85-T87 PolarHBondContact O-N 2.94Å
86	E	35.7	Very low	40.7	Very low	93 Å²	93	115.4 Å²	115.4	44%	0.435	63%	0.628	S	S	.	*			trans	-67.7	94.7	179.1	-74.2	176.8	170.3	0	0	108.8	K84 R117	K84-E86 PolarHBondContact O-N 2.77Å; E86-R117 IonicContact OE1-NH2 2.66Å
87	T	32.2	Very low	38.8	Very low	55 Å²	55	116.9 Å²	116.9	34%	0.337	64%	0.642	S	S	.	*			trans	-119.6	99.2	152	-45.9	0	0	0	0	105	A85 S89 M110	A85-T87 VanDerWaalsContact C-N 3.35Å; A85-T87 PolarHBondContact O-N 2.94Å; T87-S89 PolarHBondContact O-N 2.78Å; T87-M110 HydrophobicContact CG2-CE 4.07Å
88	E	35.7	Very low	38.1	Very low	82 Å²	82	121.9 Å²	121.9	38%	0.383	65%	0.65	S	S	.	*			trans	-65.5	96.2	-172.5	-75	-165.4	135.6	0	0	112	K90 H250	E88-K90 PolarHBondContact O-N 2.76Å; E88-H250 VanDerWaalsContact CD-CE1 3.47Å; E88-H250 VanDerWaalsContact CD-NE2 3.27Å; E88-H250 IonicContact OE1-CE1 2.95Å; E88-H250 PolarHBondContact OE1-CE1 2.96Å; E88-H250 IonicContact OE1-NE2 2.65Å; E88-H250 PolarHBondContact OE1-NE2 3.39Å; E88-H250 IonicContact OE2-CE1 3.29Å; E88-H250 IonicContact OE2-NE2 3.05Å; E88-H250 PolarHBondContact OE2-NE2 3.41Å
89	S	31.2	Very low	38.8	Very low	70 Å²	70	117.7 Å²	117.7	49%	0.49	64%	0.636	S	S	.	*			trans	-56.1	77.3	148.1	60.8	0	0	0	0	115.4	K21 T87 D91	K21-S89 WeakPolarHBondContact CE-OG 3.36Å; K21-S89 VanDerWaalsContact NZ-CB 3.27Å; K21-S89 PolarHBondContact NZ-OG 2.79Å; T87-S89 PolarHBondContact O-N 2.78Å; S89-D91 PolarHBondContact O-N 3.02Å
90	K	37.7	Very low	39.5	Very low	127 Å²	127	113.7 Å²	113.7	55%	0.552	63%	0.625	S	S	*	*			trans	-70.6	96.4	167.7	-95.8	-174.8	-177	172.1	0	109.9	E88 S92 E249	E88-K90 PolarHBondContact O-N 2.76Å; K90-S92 PolarHBondContact O-N 2.92Å; K90-E249 IonicContact NZ-OE1 3.6Å; K90-E249 PolarHBondContact NZ-OE1 2.89Å; K90-E249 IonicContact NZ-OE2 2.76Å; K90-E249 PolarHBondContact NZ-OE2 3.49Å
91	D	28	Very low	40.1	Very low	155 Å²	155	111.5 Å²	111.5	83%	0.829	62%	0.618	S	S	*	*			trans	-68.6	106.3	147.7	-85.8	-35	0	0	0	107.1	S89	S89-D91 PolarHBondContact O-N 3.02Å
92	S	35	Very low	40.4	Very low	95 Å²	95	109.5 Å²	109.5	66%	0.664	61%	0.609	S	S	*	*			trans	-120.2	101.4	153.4	57.2	0	0	0	0	106.6	K90 D94	K90-S92 PolarHBondContact O-N 2.92Å; S92-D94 VanDerWaalsContact C-N 3.28Å; S92-D94 PolarHBondContact O-N 2.95Å
93	S	27.2	Very low	41.1	Very low	120 Å²	120	114 Å²	114	84%	0.839	63%	0.626	S	S	*	*			trans	-60.4	95.6	158.7	55.4	0	0	0	0	108
94	D	31.2	Very low	41.7	Very low	151 Å²	151	114.5 Å²	114.5	81%	0.807	62%	0.619	S	S	*	*			trans	-143.9	122	149.8	-100.4	-26.1	0	0	0	107.2	S92 D96	S92-D94 VanDerWaalsContact C-N 3.28Å; S92-D94 PolarHBondContact O-N 2.95Å; D94-D96 PolarHBondContact O-N 3.45Å; D94-D96 VanDerWaalsContact O-N 3.16Å
95	S	27.7	Very low	42.2	Very low	107 Å²	107	107.6 Å²	107.6	75%	0.748	59%	0.59	S	S	*	*			trans	-55.7	109.6	177.1	49.7	0	0	0	0	110.7
96	D	33.8	Very low	42.9	Very low	152 Å²	152	110.3 Å²	110.3	81%	0.813	59%	0.594	S	S	*	*	S	Bend	trans	-168	130.9	148.3	-92.2	-27.3	0	0	0	108.9	D94 E98	D94-D96 PolarHBondContact O-N 3.45Å; D94-D96 VanDerWaalsContact O-N 3.16Å; D96-E98 PolarHBondContact O-N 3.15Å; D96-E98 VanDerWaalsContact O-N 3.15Å
97	S	35.8	Very low	44.4	Very low	122 Å²	122	110.8 Å²	110.8	85%	0.853	60%	0.599	S	S	*	*			trans	-33.4	109.7	-177.5	51.4	0	0	0	0	114.8	D99	S97-D99 PolarHBondContact O-N 2.76Å
98	E	42.2	Very low	45.8	Very low	161 Å²	161	113.2 Å²	113.2	75%	0.752	60%	0.602	S	S	*	*			trans	-70.7	110.2	179.9	-71.7	-169.8	159.8	0	0	112.1	D96	D96-E98 PolarHBondContact O-N 3.15Å; D96-E98 VanDerWaalsContact O-N 3.15Å
99	D	60.3	Low	46.9	Very low	82 Å²	82	109.8 Å²	109.8	44%	0.439	59%	0.587	S	S	.	*			trans	-62.7	119.8	169.6	177.5	5.1	0	0	0	110.7	S97 E101 K102 K103	S97-D99 PolarHBondContact O-N 2.76Å; D99-E101 PolarHBondContact O-N 2.97Å; D99-E101 VanDerWaalsContact O-N 3.08Å; D99-E101 WeakPolarHBondContact OD1-CB 3.42Å; D99-E101 PolarHBondContact OD1-N 2.84Å; D99-K102 HydrophobicContact CB-CB 4.29Å; D99-K102 WeakPolarHBondContact O-CB 3.09Å; D99-K102 PolarHBondContact O-N 2.91Å; D99-K103 PolarHBondContact O-N 3.37Å
100	P	60	Low	48.4	Very low	93 Å²	93	110.4 Å²	110.4	60%	0.604	58%	0.583	S	S	*	*	H	α-helix	trans	-58.2	-21.8	178.2	22.5	-32.6	0	0	0	113.4	K104	P100-K104 WeakPolarHBondContact O-CG 3.11Å; P100-K104 PolarHBondContact O-N 3.3Å; P100-K104 VanDerWaalsContact O-N 3.13Å
101	E	56.9	Low	50	Low	143 Å²	143	105.9 Å²	105.9	67%	0.668	57%	0.573	S	S	*	*	H	α-helix	trans	-70.3	-38.1	172.5	-64.3	-166.1	160.3	0	0	112.5	D99 K103 K104 L105	D99-E101 PolarHBondContact O-N 2.97Å; D99-E101 VanDerWaalsContact O-N 3.08Å; D99-E101 WeakPolarHBondContact OD1-CB 3.42Å; D99-E101 PolarHBondContact OD1-N 2.84Å; E101-K103 PolarHBondContact O-N 3.41Å; E101-K104 PolarHBondContact O-N 3.05Å; E101-L105 WeakPolarHBondContact O-CB 3.25Å; E101-L105 PolarHBondContact O-N 3.5Å
102	K	54.1	Low	52.2	Low	138 Å²	138	99.3 Å²	99.3	60%	0.6	54%	0.54	S	S	*	.	H	α-helix	trans	-65.6	-39.5	177.9	-168.8	-179.3	178.1	-172.4	0	111.3	D99 L105 Q106	D99-K102 HydrophobicContact CB-CB 4.29Å; D99-K102 WeakPolarHBondContact O-CB 3.09Å; D99-K102 PolarHBondContact O-N 2.91Å; K102-L105 PolarHBondContact O-N 3.31Å; K102-Q106 WeakPolarHBondContact O-CG 3.49Å; K102-Q106 PolarHBondContact O-N 2.95Å
103	K	59.5	Low	54.3	Low	115 Å²	115	95.3 Å²	95.3	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-44.9	175.1	-168.3	169.5	-176.1	165.8	0	112	D99 E101 L105 Q106 D107	D99-K103 PolarHBondContact O-N 3.37Å; E101-K103 PolarHBondContact O-N 3.41Å; K103-L105 VanDerWaalsContact C-N 3.26Å; K103-L105 PolarHBondContact O-N 2.99Å; K103-Q106 WeakPolarHBondContact O-CB 3.48Å; K103-Q106 PolarHBondContact O-N 3.17Å; K103-Q106 VanDerWaalsContact O-N 3.11Å; K103-D107 PolarHBondContact O-N 2.86Å
104	K	63.6	Low	57	Low	134 Å²	134	92.9 Å²	92.9	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-58.3	-38.5	172.5	-79	177.9	-178.5	173.2	0	112.6	P100 E101 D107 R108	P100-K104 WeakPolarHBondContact O-CG 3.11Å; P100-K104 PolarHBondContact O-N 3.3Å; P100-K104 VanDerWaalsContact O-N 3.13Å; E101-K104 PolarHBondContact O-N 3.05Å; K104-D107 PolarHBondContact O-N 3.21Å; K104-R108 WeakPolarHBondContact O-CB 3.23Å; K104-R108 WeakPolarHBondContact O-CG 3.3Å; K104-R108 PolarHBondContact O-N 2.83Å
105	L	56.5	Low	59.7	Low	17 Å²	17	87.2 Å²	87.2	9%	0.089	46%	0.457	C	S	.	.	H	α-helix	trans	-67.1	-42.2	176	-175.5	65.6	0	0	0	111.1	E101 K102 K103 R108 L109 E235 K238 L239	E101-L105 WeakPolarHBondContact O-CB 3.25Å; E101-L105 PolarHBondContact O-N 3.5Å; K102-L105 PolarHBondContact O-N 3.31Å; K103-L105 VanDerWaalsContact C-N 3.26Å; K103-L105 PolarHBondContact O-N 2.99Å; L105-R108 PolarHBondContact O-N 3.38Å; L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 VanDerWaalsContact O-CD1 3.28Å; L105-L109 WeakPolarHBondContact O-CD1 3.48Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 3.16Å; L105-E235 HydrophobicContact CD1-CB 4.23Å; L105-E235 HydrophobicContact CD1-CG 4.28Å; L105-K238 HydrophobicContact CD2-CB 3.96Å; L105-K238 HydrophobicContact CD2-CD 3.63Å; L105-K238 HydrophobicContact CD2-CG 4.44Å; L105-L239 HydrophobicContact CD1-CD2 3.92Å
106	Q	56.7	Low	62.5	Low	104 Å²	104	84.4 Å²	84.4	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-59.5	-43	172	-78.2	179.1	-24.3	0	0	112.7	K102 K103 R108 L109 M110	K102-Q106 WeakPolarHBondContact O-CG 3.49Å; K102-Q106 PolarHBondContact O-N 2.95Å; K103-Q106 WeakPolarHBondContact O-CB 3.48Å; K103-Q106 PolarHBondContact O-N 3.17Å; K103-Q106 VanDerWaalsContact O-N 3.11Å; Q106-R108 VanDerWaalsContact C-N 3.35Å; Q106-R108 PolarHBondContact O-N 2.85Å; Q106-L109 VanDerWaalsContact O-CB 3.32Å; Q106-L109 WeakPolarHBondContact O-CB 3.15Å; Q106-L109 PolarHBondContact O-N 3.01Å; Q106-M110 WeakPolarHBondContact O-CG 3.37Å; Q106-M110 PolarHBondContact O-N 2.87Å
107	D	66.2	Low	65	Low	103 Å²	103	84.3 Å²	84.3	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-38.4	176.8	-65.2	-26.5	0	0	0	111.7	K103 K104 M110 G111	K103-D107 PolarHBondContact O-N 2.86Å; K104-D107 PolarHBondContact O-N 3.21Å; D107-M110 PolarHBondContact O-N 3.37Å; D107-G111 PolarHBondContact O-N 3.11Å
108	R	62.1	Low	67.5	Low	106 Å²	106	79.3 Å²	79.3	40%	0.4	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-39.7	172.6	-75.9	-177.6	-176.4	167.6	9.2	111.9	K104 L105 Q106 G111 A112 E235	K104-R108 WeakPolarHBondContact O-CB 3.23Å; K104-R108 WeakPolarHBondContact O-CG 3.3Å; K104-R108 PolarHBondContact O-N 2.83Å; L105-R108 PolarHBondContact O-N 3.38Å; Q106-R108 VanDerWaalsContact C-N 3.35Å; Q106-R108 PolarHBondContact O-N 2.85Å; R108-G111 WeakPolarHBondContact O-CA 3.36Å; R108-G111 PolarHBondContact O-N 3.39Å; R108-G111 VanDerWaalsContact O-N 3.11Å; R108-A112 WeakPolarHBondContact O-CB 3.47Å; R108-A112 PolarHBondContact O-N 2.9Å; R108-E235 IonicContact CZ-OE2 3.19Å; R108-E235 IonicContact NH1-OE1 2.71Å; R108-E235 PolarHBondContact NH1-OE1 3.29Å; R108-E235 IonicContact NH1-OE2 2.67Å; R108-E235 PolarHBondContact NH1-OE2 3.23Å
109	L	59.3	Low	69.8	Low	11 Å²	11	78.1 Å²	78.1	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-59.2	-48.4	174.8	-77	155.6	0	0	0	111.2	L105 Q106 G111 A112 I113 L239 N242	L105-L109 HydrophobicContact CG-CD1 4.06Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 VanDerWaalsContact O-CD1 3.28Å; L105-L109 WeakPolarHBondContact O-CD1 3.48Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 3.16Å; Q106-L109 VanDerWaalsContact O-CB 3.32Å; Q106-L109 WeakPolarHBondContact O-CB 3.15Å; Q106-L109 PolarHBondContact O-N 3.01Å; L109-G111 PolarHBondContact O-N 3.11Å; L109-A112 PolarHBondContact O-N 3.41Å; L109-I113 HydrophobicContact CD2-CD1 3.97Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 PolarHBondContact O-N 2.98Å; L109-L239 HydrophobicContact CD1-CD2 4.44Å; L109-L239 HydrophobicContact CD2-CB 4.3Å; L109-L239 HydrophobicContact CD2-CD2 3.31Å; L109-L239 HydrophobicContact CD2-CG 4.38Å; L109-L239 HydrophobicContact CG-CD2 3.47Å; L109-L239 VanDerWaalsContact CG-CD2 3.47Å; L109-N242 HydrophobicContact CD1-CB 4Å; L109-N242 WeakPolarHBondContact CD1-ND2 3.48Å; L109-N242 HydrophobicContact CD2-CB 3.6Å
110	M	63.4	Low	71.3	Confident	82 Å²	82	74.8 Å²	74.8	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-24.2	175.7	-69.7	-55.3	-51.2	0	0	112.7	T87 Q106 D107	T87-M110 HydrophobicContact CG2-CE 4.07Å; Q106-M110 WeakPolarHBondContact O-CG 3.37Å; Q106-M110 PolarHBondContact O-N 2.87Å; D107-M110 PolarHBondContact O-N 3.37Å
111	G	70.8	Confident	72.7	Confident	33 Å²	33	74 Å²	74	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-80.2	-37.2	175.1	0	0	0	0	0	114.4	D107 R108 L109	D107-G111 PolarHBondContact O-N 3.11Å; R108-G111 WeakPolarHBondContact O-CA 3.36Å; R108-G111 PolarHBondContact O-N 3.39Å; R108-G111 VanDerWaalsContact O-N 3.11Å; L109-G111 PolarHBondContact O-N 3.11Å
112	A	73.8	Confident	74.4	Confident	17 Å²	17	68.6 Å²	68.6	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-90.9	-27.9	-173.9	0	0	0	0	0	113.6	R108 L109 D227	R108-A112 WeakPolarHBondContact O-CB 3.47Å; R108-A112 PolarHBondContact O-N 2.9Å; L109-A112 PolarHBondContact O-N 3.41Å; A112-D227 HydrophobicContact CB-CB 4.22Å
113	I	80.2	Confident	76.2	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.056	33%	0.331	C	S	.	.			trans	-102.8	113.7	-179.8	-57.2	169.2	0	0	0	108.1	L109 M115 F221 L243 L246	L109-I113 HydrophobicContact CD2-CD1 3.97Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 PolarHBondContact O-N 2.98Å; I113-M115 PolarHBondContact O-N 3.48Å; I113-F221 HydrophobicContact CG2-CB 4.29Å; I113-F221 HydrophobicContact CG2-CD1 3.8Å; I113-L243 HydrophobicContact CD1-CB 3.85Å; I113-L243 HydrophobicContact CD1-CD1 3.87Å; I113-L243 HydrophobicContact CD1-CG 4.44Å; I113-L243 HydrophobicContact CG1-CD1 4.14Å; I113-L243 HydrophobicContact CG2-CD1 3.85Å; I113-L246 HydrophobicContact CD1-CD1 4.39Å
114	I	83.1	Confident	77.7	Confident	68 Å²	68	63.7 Å²	63.7	35%	0.349	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.6	171.6	-58.9	173.2	0	0	0	107.3	E116 F221 S222	I114-E116 HydrophobicContact CG2-CG 4.33Å; I114-F221 CarbonylContact O-C 3.56Å; I114-F221 WeakPolarHBondContact O-CA 3.29Å; I114-S222 PolarHBondContact N-O 3.26Å; I114-S222 PolarHBondContact O-N 3.31Å
115	M	87.8	Confident	79.1	Confident	33 Å²	33	57.8 Å²	57.8	16%	0.163	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	170.6	-167	-173.1	-42.4	0	0	108.5	I113 T219 F220 F221	I113-M115 PolarHBondContact O-N 3.48Å; M115-T219 HydrophobicContact CG-CG2 3.59Å; M115-T219 HydrophobicContact SD-CG2 3.96Å; M115-F220 WeakPolarHBondContact CA-O 3.41Å; M115-F221 HydrophobicContact CB-CD1 4.48Å; M115-F221 HydrophobicContact CB-CE1 4.47Å; M115-F221 HydrophobicContact CE-CE1 3.65Å; M115-F221 HydrophobicContact CE-CZ 4.28Å; M115-F221 HydrophobicContact CG-CD1 4.24Å; M115-F221 HydrophobicContact CG-CE1 3.92Å; M115-F221 HydrophobicContact CG-CZ 4.3Å; M115-F221 HydrophobicContact SD-CE1 4.09Å; M115-F221 HydrophobicContact SD-CZ 4.28Å
116	E	86.5	Confident	80.8	Confident	47 Å²	47	58 Å²	58	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	165	177.9	62.6	-179.5	-170	0	0	111.8	I114 K209 F220	I114-E116 HydrophobicContact CG2-CG 4.33Å; E116-K209 WeakPolarHBondContact OE1-CE 3.32Å; E116-K209 IonicContact OE1-NZ 3.86Å; E116-K209 PolarHBondContact OE1-NZ 3.41Å; E116-K209 IonicContact OE2-NZ 2.97Å; E116-F220 HydrophobicContact CG-CD1 4.11Å; E116-F220 PolarHBondContact N-O 3.22Å; E116-F220 WeakPolarHBondContact O-CA 3.37Å; E116-F220 VanDerWaalsContact O-CB 3.28Å; E116-F220 WeakPolarHBondContact O-CB 3.44Å; E116-F220 PolarHBondContact O-N 3.02Å
117	R	87.2	Confident	82.6	Confident	150 Å²	150	53.9 Å²	53.9	57%	0.566	29%	0.286	S	S	*	.			trans	-112.8	98.1	161.7	-67	-173.7	-169.7	-175.9	4	107	E86	E86-R117 IonicContact OE1-NH2 2.66Å
118	P	88.3	Confident	83.8	Confident	17 Å²	17	50.6 Å²	50.6	11%	0.11	27%	0.268	C	S	.	.			trans	-63.8	156.2	-178	25.7	-31.3	0	0	0	110.2	K209 A212 S213 F220	P118-K209 HydrophobicContact CB-CB 3.85Å; P118-K209 HydrophobicContact CB-CD 4.45Å; P118-K209 HydrophobicContact CB-CG 4.22Å; P118-K209 HydrophobicContact CG-CB 4.12Å; P118-K209 VanDerWaalsContact CG-O 3.3Å; P118-K209 WeakPolarHBondContact CG-O 3.49Å; P118-A212 HydrophobicContact CG-CB 3.72Å; P118-S213 PolarHBondContact O-OG 3.5Å; P118-F220 HydrophobicContact CG-CB 4.33Å; P118-F220 HydrophobicContact CG-CG 4.46Å
119	N	89.7	Confident	85.3	Confident	136 Å²	136	50.4 Å²	50.4	73%	0.727	27%	0.272	S	S	*	.			trans	-121.5	67.3	172.1	-174.7	33.2	0	0	0	109.7	Q121 S213	N119-Q121 PolarHBondContact OD1-NE2 3.33Å; N119-S213 PolarHBondContact N-OG 2.98Å
120	V	90.8	Very high	86.8	Confident	12 Å²	12	51.3 Å²	51.3	7%	0.073	28%	0.284	C	S	.	.			trans	-120.3	119.4	178.6	-178.4	0	0	0	0	107.6	D124 Y206 K209 A210 S213	V120-D124 HydrophobicContact CG1-CB 4.08Å; V120-Y206 HydrophobicContact CG1-CD1 4.14Å; V120-Y206 HydrophobicContact CG1-CE1 3.54Å; V120-Y206 HydrophobicContact CG1-CE2 4.18Å; V120-Y206 HydrophobicContact CG2-CE2 4.05Å; V120-K209 HydrophobicContact CB-CB 4.46Å; V120-K209 HydrophobicContact CG2-CB 4.08Å; V120-A210 HydrophobicContact CB-CB 4.3Å; V120-A210 HydrophobicContact CG1-CB 3.8Å; V120-A210 WeakPolarHBondContact O-CA 3.39Å; V120-S213 PolarHBondContact N-OG 3.36Å; V120-S213 WeakPolarHBondContact O-CB 3.38Å; V120-S213 PolarHBondContact O-OG 2.99Å
121	Q	91.3	Very high	88.2	Confident	77 Å²	77	47.7 Å²	47.7	36%	0.36	27%	0.267	S	S	.	.			trans	-92.1	163.3	-179.9	-55.7	-61.8	-56.3	0	0	110.8	N119 S123 D124 E214	N119-Q121 PolarHBondContact OD1-NE2 3.33Å; Q121-S123 PolarHBondContact O-N 3.34Å; Q121-S123 VanDerWaalsContact O-N 3.13Å; Q121-D124 PolarHBondContact N-OD2 3.15Å; Q121-D124 WeakPolarHBondContact O-CB 3.4Å; Q121-D124 PolarHBondContact O-N 3.03Å; Q121-E214 PolarHBondContact OE1-OE1 3.31Å
122	W	92.4	Very high	89.4	Confident	29 Å²	29	46.7 Å²	46.7	11%	0.11	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56.7	-28	173.3	-69.5	119.7	0	0	0	113.9	D124 V125 K132 L135 K136 I140 L207 A210 V211 E214	W122-D124 VanDerWaalsContact C-N 3.27Å; W122-D124 PolarHBondContact O-N 2.97Å; W122-V125 PolarHBondContact O-N 3.23Å; W122-K132 HydrophobicContact CE3-CB 4.28Å; W122-K132 HydrophobicContact CE3-CD 4.23Å; W122-K132 HydrophobicContact CE3-CG 3.78Å; W122-K132 HydrophobicContact CZ3-CB 4.31Å; W122-K132 HydrophobicContact CZ3-CG 3.97Å; W122-K132 PolarHBondContact O-NZ 3.34Å; W122-L135 HydrophobicContact CH2-CB 4.04Å; W122-L135 HydrophobicContact CH2-CD1 4.49Å; W122-K136 HydrophobicContact CZ2-CG 3.99Å; W122-I140 HydrophobicContact CZ2-CG1 4.31Å; W122-L207 HydrophobicContact CZ3-CD1 3.76Å; W122-A210 HydrophobicContact CE3-CB 4.34Å; W122-A210 HydrophobicContact CZ3-CB 4.34Å; W122-V211 HydrophobicContact CH2-CG2 3.68Å; W122-V211 HydrophobicContact CZ3-CG2 4.39Å; W122-E214 VanDerWaalsContact CD1-OE2 3.24Å; W122-E214 HydrophobicContact CD2-CG 4.12Å; W122-E214 HydrophobicContact CG-CG 4.07Å; W122-E214 HydrophobicContact CZ2-CB 4.12Å; W122-E214 HydrophobicContact CZ2-CG 4.22Å; W122-E214 PolarHBondContact N-OE1 2.97Å; W122-E214 PolarHBondContact NE1-OE2 3.47Å
123	S	91.1	Very high	90.3	Very high	95 Å²	95	51.7 Å²	51.7	66%	0.664	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.7	177	52.4	0	0	0	0	113.4	Q121 V125	Q121-S123 PolarHBondContact O-N 3.34Å; Q121-S123 VanDerWaalsContact O-N 3.13Å; S123-V125 PolarHBondContact O-N 2.9Å
124	D	90.5	Very high	90.9	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-81.1	-11.2	-178.4	-53.1	-30	0	0	0	111.5	V120 Q121 W122 Y206	V120-D124 HydrophobicContact CG1-CB 4.08Å; Q121-D124 PolarHBondContact N-OD2 3.15Å; Q121-D124 WeakPolarHBondContact O-CB 3.4Å; Q121-D124 PolarHBondContact O-N 3.03Å; W122-D124 VanDerWaalsContact C-N 3.27Å; W122-D124 PolarHBondContact O-N 2.97Å; D124-Y206 HydrophobicContact CB-CE1 4.22Å
125	V	93.1	Very high	91.4	Very high	11 Å²	11	48 Å²	48	7%	0.067	26%	0.255	C	S	.	.	S	Bend	trans	-99.7	106	176.2	-173.4	0	0	0	0	109.2	W122 S123 L128 K132 Y206 L207 A210	W122-V125 PolarHBondContact O-N 3.23Å; S123-V125 PolarHBondContact O-N 2.9Å; V125-L128 HydrophobicContact CG1-CD1 4.1Å; V125-K132 WeakPolarHBondContact O-CE 3.48Å; V125-K132 PolarHBondContact O-NZ 3.41Å; V125-Y206 HydrophobicContact CG2-CD1 4Å; V125-Y206 HydrophobicContact CG2-CE1 4.17Å; V125-L207 HydrophobicContact CG1-CD1 4.14Å; V125-L207 HydrophobicContact CG2-CD1 4.5Å; V125-A210 HydrophobicContact CG2-CB 3.84Å
126	A	93.5	Very high	91.7	Very high	20 Å²	20	50.2 Å²	50.2	17%	0.165	26%	0.264	C	S	.	.			trans	-71.3	130.8	178.3	0	0	0	0	0	112.4	E332 I333 L336	A126-E332 HydrophobicContact CB-CB 4.02Å; A126-I333 HydrophobicContact CB-CD1 4.45Å; A126-I333 HydrophobicContact CB-CG1 3.6Å; A126-L336 HydrophobicContact CB-CD1 4.06Å
127	G	92.5	Very high	91.9	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	28%	0.279	C	S	.	.	S	Bend	trans	65.9	-148.2	180	0	0	0	0	0	113.5	E129 K132	G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.42Å; G127-K132 WeakPolarHBondContact O-CE 3.41Å; G127-K132 PolarHBondContact O-NZ 3.11Å
128	L	93.1	Very high	92	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	25%	0.254	C	S	.	.			trans	61	33.2	178.3	-56.9	177.8	0	0	0	114.6	V125 G130 A131 K132 I322 P323	V125-L128 HydrophobicContact CG1-CD1 4.1Å; L128-G130 PolarHBondContact O-N 3.28Å; L128-A131 HydrophobicContact CB-CB 4.26Å; L128-A131 PolarHBondContact O-N 3.46Å; L128-K132 WeakPolarHBondContact O-CG 3.4Å; L128-K132 PolarHBondContact O-N 2.91Å; L128-I322 HydrophobicContact CD1-CG2 3.85Å; L128-I322 HydrophobicContact CD2-CG2 3.89Å; L128-P323 HydrophobicContact CD2-CG 4.06Å
129	E	92.6	Very high	92.1	Very high	103 Å²	103	46.3 Å²	46.3	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-57.1	-43.9	-174.1	-60	-50.8	134.5	0	0	113.1	G127 A131 K132 E133	G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.42Å; E129-A131 PolarHBondContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 2.91Å; E129-K132 IonicContact OE1-NZ 3.62Å; E129-K132 PolarHBondContact OE1-NZ 3.41Å; E129-K132 IonicContact OE2-NZ 2.73Å; E129-E133 WeakPolarHBondContact O-CB 3.44Å; E129-E133 WeakPolarHBondContact O-CG 3.44Å; E129-E133 PolarHBondContact O-N 2.8Å
130	G	90.9	Very high	92.1	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	23%	0.225	S	C	.	.	H	α-helix	trans	-61	-41.3	174.8	0	0	0	0	0	113.3	L128 K132 E133 A134	L128-G130 PolarHBondContact O-N 3.28Å; G130-K132 PolarHBondContact O-N 3.13Å; G130-E133 PolarHBondContact O-N 2.88Å; G130-A134 WeakPolarHBondContact O-CB 3.3Å; G130-A134 PolarHBondContact O-N 2.68Å
131	A	93.2	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-38.2	176	0	0	0	0	0	112.3	L128 E129 L135 L207 I320 I322	L128-A131 HydrophobicContact CB-CB 4.26Å; L128-A131 PolarHBondContact O-N 3.46Å; E129-A131 PolarHBondContact O-N 3.13Å; A131-L135 WeakPolarHBondContact O-CB 3.38Å; A131-L135 WeakPolarHBondContact O-CD1 3.43Å; A131-L135 VanDerWaalsContact O-CG 3.29Å; A131-L135 WeakPolarHBondContact O-CG 3.3Å; A131-L135 PolarHBondContact O-N 3.03Å; A131-L207 HydrophobicContact CB-CD2 4.32Å; A131-I320 HydrophobicContact CB-CG2 3.72Å; A131-I322 HydrophobicContact CB-CD1 3.55Å
132	K	94.9	Very high	91.9	Very high	12 Å²	12	41 Å²	41	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.1	-69.2	175.2	-178.4	166.1	0	111	W122 V125 G127 L128 E129 G130 L135 K136 L207	W122-K132 HydrophobicContact CE3-CB 4.28Å; W122-K132 HydrophobicContact CE3-CD 4.23Å; W122-K132 HydrophobicContact CE3-CG 3.78Å; W122-K132 HydrophobicContact CZ3-CB 4.31Å; W122-K132 HydrophobicContact CZ3-CG 3.97Å; W122-K132 PolarHBondContact O-NZ 3.34Å; V125-K132 WeakPolarHBondContact O-CE 3.48Å; V125-K132 PolarHBondContact O-NZ 3.41Å; G127-K132 WeakPolarHBondContact O-CE 3.41Å; G127-K132 PolarHBondContact O-NZ 3.11Å; L128-K132 WeakPolarHBondContact O-CG 3.4Å; L128-K132 PolarHBondContact O-N 2.91Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 2.91Å; E129-K132 IonicContact OE1-NZ 3.62Å; E129-K132 PolarHBondContact OE1-NZ 3.41Å; E129-K132 IonicContact OE2-NZ 2.73Å; G130-K132 PolarHBondContact O-N 3.13Å; K132-L135 PolarHBondContact O-N 3.4Å; K132-K136 WeakPolarHBondContact O-CB 3.33Å; K132-K136 WeakPolarHBondContact O-CG 3.42Å; K132-K136 PolarHBondContact O-N 3.36Å; K132-L207 HydrophobicContact CG-CD1 4.46Å
133	E	94	Very high	91.5	Very high	122 Å²	122	42.4 Å²	42.4	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-62.5	-49	176.9	-75	-179.7	171	0	0	111.3	E129 G130 L135 K136 E137	E129-E133 WeakPolarHBondContact O-CB 3.44Å; E129-E133 WeakPolarHBondContact O-CG 3.44Å; E129-E133 PolarHBondContact O-N 2.8Å; G130-E133 PolarHBondContact O-N 2.88Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.25Å; E133-K136 PolarHBondContact O-N 2.91Å; E133-K136 VanDerWaalsContact O-N 3.17Å; E133-E137 PolarHBondContact O-N 2.92Å
134	A	93.1	Very high	91.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-39	175.9	0	0	0	0	0	112.6	G130 A138 I320	G130-A134 WeakPolarHBondContact O-CB 3.3Å; G130-A134 PolarHBondContact O-N 2.68Å; A134-A138 WeakPolarHBondContact O-CB 3.35Å; A134-A138 PolarHBondContact O-N 3.32Å; A134-I320 HydrophobicContact CB-CD1 3.8Å; A134-I320 HydrophobicContact CB-CG1 4.28Å
135	L	93.8	Very high	91.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.4	-38.4	176	-75.3	166	0	0	0	112.8	W122 A131 K132 E133 E137 A138 V139 I194 L196 L207 V211 I320	W122-L135 HydrophobicContact CH2-CB 4.04Å; W122-L135 HydrophobicContact CH2-CD1 4.49Å; A131-L135 WeakPolarHBondContact O-CB 3.38Å; A131-L135 WeakPolarHBondContact O-CD1 3.43Å; A131-L135 VanDerWaalsContact O-CG 3.29Å; A131-L135 WeakPolarHBondContact O-CG 3.3Å; A131-L135 PolarHBondContact O-N 3.03Å; K132-L135 PolarHBondContact O-N 3.4Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 3.25Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-A138 PolarHBondContact O-N 3.03Å; L135-V139 HydrophobicContact CD2-CG2 4.42Å; L135-V139 VanDerWaalsContact O-CB 3.32Å; L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.91Å; L135-I194 HydrophobicContact CD2-CD1 4.21Å; L135-I194 HydrophobicContact CD2-CG2 4.36Å; L135-L196 HydrophobicContact CD1-CD2 4.43Å; L135-L196 HydrophobicContact CD2-CD2 4.33Å; L135-L207 HydrophobicContact CD1-CD1 3.93Å; L135-L207 HydrophobicContact CD1-CD2 3.55Å; L135-L207 HydrophobicContact CD1-CG 3.58Å; L135-V211 HydrophobicContact CB-CG2 4.08Å; L135-V211 HydrophobicContact CD1-CG2 3.65Å; L135-V211 HydrophobicContact CD2-CG2 3.91Å; L135-V211 HydrophobicContact CG-CG2 4.09Å; L135-I320 HydrophobicContact CD2-CD1 3.8Å; L135-I320 HydrophobicContact CG-CD1 3.76Å
136	K	93.3	Very high	90.8	Very high	81 Å²	81	49 Å²	49	35%	0.352	26%	0.256	S	S	.	.	I	π-helix	trans	-61	-43.8	173.2	-77	170	-177	174.4	0	110.8	W122 K132 E133 I140 L141	W122-K136 HydrophobicContact CZ2-CG 3.99Å; K132-K136 WeakPolarHBondContact O-CB 3.33Å; K132-K136 WeakPolarHBondContact O-CG 3.42Å; K132-K136 PolarHBondContact O-N 3.36Å; E133-K136 PolarHBondContact O-N 2.91Å; E133-K136 VanDerWaalsContact O-N 3.17Å; K136-I140 HydrophobicContact CG-CG1 4.39Å; K136-I140 WeakPolarHBondContact O-CB 3.48Å; K136-I140 PolarHBondContact O-N 2.6Å; K136-I140 VanDerWaalsContact O-N 3.11Å; K136-L141 WeakPolarHBondContact O-CB 3.42Å; K136-L141 PolarHBondContact O-N 2.69Å
137	E	91	Very high	90.3	Very high	116 Å²	116	53.7 Å²	53.7	54%	0.542	27%	0.274	S	S	.	.	I	π-helix	trans	-65.4	-45.3	175.6	-170.2	-165.5	160.8	0	0	111.7	E133 L135 L141 P142	E133-E137 PolarHBondContact O-N 2.92Å; L135-E137 VanDerWaalsContact C-N 3.33Å; E137-L141 HydrophobicContact CG-CD2 4.27Å; E137-P142 VanDerWaalsContact O-CD 3.3Å; E137-P142 WeakPolarHBondContact O-CD 3.21Å
138	A	89.5	Confident	89.9	Confident	5 Å²	5	55.7 Å²	55.7	4%	0.041	28%	0.28	C	S	.	.	I	π-helix	trans	-75.9	-30.7	-173.7	0	0	0	0	0	114	A134 L135 I194	A134-A138 WeakPolarHBondContact O-CB 3.35Å; A134-A138 PolarHBondContact O-N 3.32Å; L135-A138 PolarHBondContact O-N 3.03Å; A138-I194 HydrophobicContact CB-CD1 3.61Å
139	V	90.1	Very high	89.5	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	28%	0.28	C	S	.	.	I	π-helix	trans	-117.6	-56.3	-170.4	-172.6	0	0	0	0	111.9	L135 P142 I143 I194 V211 A215 L297	L135-V139 HydrophobicContact CD2-CG2 4.42Å; L135-V139 VanDerWaalsContact O-CB 3.32Å; L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.91Å; V139-P142 WeakPolarHBondContact O-CD 3.34Å; V139-I143 HydrophobicContact CG1-CD1 4.15Å; V139-I143 WeakPolarHBondContact O-CD1 3.43Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; V139-I194 HydrophobicContact CG2-CD1 3.66Å; V139-V211 HydrophobicContact CB-CG1 4.12Å; V139-V211 HydrophobicContact CG1-CG1 3.79Å; V139-V211 HydrophobicContact CG2-CG1 4Å; V139-A215 HydrophobicContact CG1-CB 4.2Å; V139-L297 HydrophobicContact CB-CD2 4.21Å; V139-L297 HydrophobicContact CG1-CD2 3.73Å; V139-L297 HydrophobicContact CG2-CD2 3.42Å; V139-L297 VanDerWaalsContact CG2-CD2 3.42Å
140	I	90.1	Very high	88.3	Confident	34 Å²	34	54.9 Å²	54.9	17%	0.174	28%	0.28	C	S	.	.	I	π-helix	trans	-73.7	-40.6	-170.7	-52.1	-56.4	0	0	0	111.4	W122 K136 I143 K144 E214 A215	W122-I140 HydrophobicContact CZ2-CG1 4.31Å; K136-I140 HydrophobicContact CG-CG1 4.39Å; K136-I140 WeakPolarHBondContact O-CB 3.48Å; K136-I140 PolarHBondContact O-N 2.6Å; K136-I140 VanDerWaalsContact O-N 3.11Å; I140-I143 PolarHBondContact O-N 3.01Å; I140-K144 WeakPolarHBondContact O-CB 3.48Å; I140-K144 PolarHBondContact O-N 2.93Å; I140-E214 HydrophobicContact CD1-CB 3.94Å; I140-A215 HydrophobicContact CD1-CB 4Å
141	L	90	Very high	86.7	Confident	63 Å²	63	56 Å²	56	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-46.4	-177.9	-178.3	77.6	0	0	0	112.5	K136 E137 I143 K144 F145 F149	K136-L141 WeakPolarHBondContact O-CB 3.42Å; K136-L141 PolarHBondContact O-N 2.69Å; E137-L141 HydrophobicContact CG-CD2 4.27Å; L141-I143 VanDerWaalsContact C-N 3.32Å; L141-I143 PolarHBondContact O-N 3.45Å; L141-K144 PolarHBondContact O-N 3.23Å; L141-F145 HydrophobicContact CD1-CD2 3.63Å; L141-F145 HydrophobicContact CD1-CE2 4.09Å; L141-F145 PolarHBondContact O-N 3.46Å; L141-F149 HydrophobicContact CD2-CE2 4.45Å; L141-F149 HydrophobicContact CD2-CZ 4.07Å; L141-F149 HydrophobicContact CG-CE2 4.21Å; L141-F149 HydrophobicContact CG-CZ 4.26Å
142	P	86.5	Confident	84.6	Confident	16 Å²	16	64.8 Å²	64.8	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-40.2	170.4	-30.1	35	0	0	0	115.3	E137 V139 P146 F149 P190	E137-P142 VanDerWaalsContact O-CD 3.3Å; E137-P142 WeakPolarHBondContact O-CD 3.21Å; V139-P142 WeakPolarHBondContact O-CD 3.34Å; P142-P146 VanDerWaalsContact O-CA 3.29Å; P142-P146 WeakPolarHBondContact O-CA 3.4Å; P142-F149 VanDerWaalsContact CA-CE2 3.47Å; P142-F149 HydrophobicContact CB-CD2 4.1Å; P142-F149 HydrophobicContact CB-CE2 4.07Å; P142-F149 HydrophobicContact CB-CG 4.45Å; P142-F149 HydrophobicContact CB-CZ 4.37Å; P142-F149 HydrophobicContact CG-CD1 4.42Å; P142-F149 HydrophobicContact CG-CD2 4.3Å; P142-F149 HydrophobicContact CG-CE1 3.98Å; P142-F149 HydrophobicContact CG-CE2 3.87Å; P142-F149 HydrophobicContact CG-CZ 3.69Å; P142-P190 HydrophobicContact CB-CB 3.9Å; P142-P190 HydrophobicContact CB-CG 3.74Å; P142-P190 HydrophobicContact CG-CB 3.85Å; P142-P190 HydrophobicContact CG-CG 4.1Å
143	I	85.5	Confident	82	Confident	60 Å²	60	73.3 Å²	73.3	31%	0.308	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-43.5	-179.4	-66.5	169.9	0	0	0	110.3	V139 I140 L141 A215 N216	V139-I143 HydrophobicContact CG1-CD1 4.15Å; V139-I143 WeakPolarHBondContact O-CD1 3.43Å; V139-I143 VanDerWaalsContact O-CG1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; I140-I143 PolarHBondContact O-N 3.01Å; L141-I143 VanDerWaalsContact C-N 3.32Å; L141-I143 PolarHBondContact O-N 3.45Å; I143-A215 HydrophobicContact CD1-CB 3.67Å; I143-N216 WeakPolarHBondContact CG2-ND2 3.26Å
144	K	86.3	Confident	79.3	Confident	145 Å²	145	79.1 Å²	79.1	63%	0.63	39%	0.385	S	S	*	.	H	α-helix	trans	-73	-37.2	-178.1	-170.5	171.1	-177.9	172.5	0	112.8	I140 L141	I140-K144 WeakPolarHBondContact O-CB 3.48Å; I140-K144 PolarHBondContact O-N 2.93Å; L141-K144 PolarHBondContact O-N 3.23Å
145	F	88.5	Confident	76.5	Confident	80 Å²	80	90.1 Å²	90.1	35%	0.351	43%	0.426	S	S	.	.			trans	-129.9	66.4	-176.6	-55.3	-69.8	0	0	0	111.8	L141 H147 L148	L141-F145 HydrophobicContact CD1-CD2 3.63Å; L141-F145 HydrophobicContact CD1-CE2 4.09Å; L141-F145 PolarHBondContact O-N 3.46Å; F145-H147 AromaticContact CD1-CE1 3.88Å; F145-H147 PolarHBondContact O-N 3.46Å; F145-H147 VanDerWaalsContact O-N 3.11Å; F145-L148 HydrophobicContact CB-CD1 3.63Å; F145-L148 HydrophobicContact CB-CG 3.9Å; F145-L148 HydrophobicContact CD2-CD1 4.47Å; F145-L148 HydrophobicContact CG-CD1 4.24Å; F145-L148 WeakPolarHBondContact O-CB 3.42Å; F145-L148 PolarHBondContact O-N 2.98Å
146	P	84.1	Confident	73.4	Confident	75 Å²	75	99.5 Å²	99.5	49%	0.487	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31	-174.6	22.3	-33.8	0	0	0	112.9	P142 L148 F149 T150	P142-P146 VanDerWaalsContact O-CA 3.29Å; P142-P146 WeakPolarHBondContact O-CA 3.4Å; P146-L148 PolarHBondContact O-N 2.85Å; P146-L148 VanDerWaalsContact O-N 3.16Å; P146-F149 CarbonylContact O-C 3.6Å; P146-F149 PolarHBondContact O-N 3.05Å; P146-T150 PolarHBondContact O-N 3.07Å
147	H	83.2	Confident	70.6	Confident	118 Å²	118	101 Å²	101	55%	0.546	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-61.1	-22	177.8	66.3	-91.5	0	0	0	114.1	F145 F149 T150	F145-H147 AromaticContact CD1-CE1 3.88Å; F145-H147 PolarHBondContact O-N 3.46Å; F145-H147 VanDerWaalsContact O-N 3.11Å; H147-F149 PolarHBondContact O-N 3.4Å; H147-T150 PolarHBondContact O-OG1 3.46Å
148	L	85.2	Confident	67.7	Low	60 Å²	60	101.6 Å²	101.6	31%	0.314	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-72.4	-17.2	174.2	-62.9	179.6	0	0	0	112.6	F145 P146	F145-L148 HydrophobicContact CB-CD1 3.63Å; F145-L148 HydrophobicContact CB-CG 3.9Å; F145-L148 HydrophobicContact CD2-CD1 4.47Å; F145-L148 HydrophobicContact CG-CD1 4.24Å; F145-L148 WeakPolarHBondContact O-CB 3.42Å; F145-L148 PolarHBondContact O-N 2.98Å; P146-L148 PolarHBondContact O-N 2.85Å; P146-L148 VanDerWaalsContact O-N 3.16Å
149	F	83.2	Confident	65	Low	42 Å²	42	105.1 Å²	105.1	18%	0.184	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-118.5	12.9	-173.4	-59.5	-91.7	0	0	0	113.3	L141 P142 P146 H147 R188 P190	L141-F149 HydrophobicContact CD2-CE2 4.45Å; L141-F149 HydrophobicContact CD2-CZ 4.07Å; L141-F149 HydrophobicContact CG-CE2 4.21Å; L141-F149 HydrophobicContact CG-CZ 4.26Å; P142-F149 VanDerWaalsContact CA-CE2 3.47Å; P142-F149 HydrophobicContact CB-CD2 4.1Å; P142-F149 HydrophobicContact CB-CE2 4.07Å; P142-F149 HydrophobicContact CB-CG 4.45Å; P142-F149 HydrophobicContact CB-CZ 4.37Å; P142-F149 HydrophobicContact CG-CD1 4.42Å; P142-F149 HydrophobicContact CG-CD2 4.3Å; P142-F149 HydrophobicContact CG-CE1 3.98Å; P142-F149 HydrophobicContact CG-CE2 3.87Å; P142-F149 HydrophobicContact CG-CZ 3.69Å; P146-F149 CarbonylContact O-C 3.6Å; P146-F149 PolarHBondContact O-N 3.05Å; H147-F149 PolarHBondContact O-N 3.4Å; F149-R188 CarbonylContact C-O 3.56Å; F149-R188 WeakPolarHBondContact CA-O 3.48Å; F149-R188 HydrophobicContact CD1-CB 4.19Å; F149-P190 HydrophobicContact CB-CG 4.14Å; F149-P190 HydrophobicContact CD1-CG 4.15Å; F149-P190 HydrophobicContact CG-CG 4.21Å
150	T	67.3	Low	62.3	Low	78 Å²	78	109.3 Å²	109.3	48%	0.479	58%	0.58	S	S	.	*			trans	-99.3	107.5	174.9	54.7	0	0	0	0	111.1	P146 H147 K152	P146-T150 PolarHBondContact O-N 3.07Å; H147-T150 PolarHBondContact O-OG1 3.46Å; T150-K152 VanDerWaalsContact C-N 3.26Å; T150-K152 PolarHBondContact O-N 3.46Å; T150-K152 VanDerWaalsContact O-N 3.08Å
151	G	57	Low	59.4	Low	51 Å²	51	118.8 Å²	118.8	53%	0.526	62%	0.615	S	S	.	*			trans	-79.4	33.1	-177.7	0	0	0	0	0	116.5	E153	G151-E153 PolarHBondContact O-N 3.32Å
152	K	49.5	Very low	56.7	Low	192 Å²	192	122.1 Å²	122.1	84%	0.835	64%	0.638	S	S	*	*			trans	-80.5	109	178.4	-73.5	-171.7	179.3	-179.9	0	110.5	T150 R154	T150-K152 VanDerWaalsContact C-N 3.26Å; T150-K152 PolarHBondContact O-N 3.46Å; T150-K152 VanDerWaalsContact O-N 3.08Å; K152-R154 PolarHBondContact O-N 2.68Å
153	E	41.2	Very low	54	Low	192 Å²	192	126.1 Å²	126.1	90%	0.897	67%	0.666	S	S	*	*			trans	-55	105.1	162.3	-88.3	179.1	153.9	0	0	109.4	G151 R155	G151-E153 PolarHBondContact O-N 3.32Å; E153-R155 PolarHBondContact O-N 2.82Å
154	R	36.2	Very low	51.6	Low	243 Å²	243	131.5 Å²	131.5	92%	0.917	69%	0.694	S	S	*	*			trans	-72.5	107	164.3	-81.9	-170.9	176.1	177.6	-0.4	107.9	K152 Q156	K152-R154 PolarHBondContact O-N 2.68Å; R154-Q156 PolarHBondContact O-N 3.18Å
155	R	33.9	Very low	48.9	Very low	231 Å²	231	132.2 Å²	132.2	87%	0.872	70%	0.704	S	S	*	*			trans	-53.5	129	159.7	-85.4	-179.1	165.7	170.3	-4.6	108	E153 S157	E153-R155 PolarHBondContact O-N 2.82Å; R155-S157 PolarHBondContact O-N 3.48Å
156	Q	29.9	Very low	46.1	Very low	197 Å²	197	136.4 Å²	136.4	92%	0.921	73%	0.725	S	S	*	*			trans	-55.7	120.8	175.3	-75.7	177.2	-7.7	0	0	109.2	R154	R154-Q156 PolarHBondContact O-N 3.18Å
157	S	34.3	Very low	43.7	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	74%	0.736	S	S	*	*			trans	-142.7	120.6	163.1	-60.7	0	0	0	0	106.3	R155	R155-S157 PolarHBondContact O-N 3.48Å
158	S	31	Very low	41.4	Very low	130 Å²	130	142.9 Å²	142.9	91%	0.909	75%	0.75	S	S	*	*			trans	-59.6	146.9	-170.9	-48.6	0	0	0	0	113.2
159	G	31.6	Very low	38.9	Very low	78 Å²	78	148 Å²	148	80%	0.804	78%	0.775	S	S	*	*			trans	97.6	103.9	157	0	0	0	0	0	115.7
160	A	34.7	Very low	36.5	Very low	98 Å²	98	150.6 Å²	150.6	81%	0.81	81%	0.805	S	S	*	*				161.2	108.5	128.6	0	0	0	0	0	109.8
161	Y	28.7	Very low	35.3	Very low	234 Å²	234	151.1 Å²	151.1	92%	0.918	82%	0.817	S	S	*	*			trans	-63.1	125.2	160.8	-76	-105.3	0	0	0	109.3
162	V	32.2	Very low	34.3	Very low	133 Å²	133	155.1 Å²	155.1	81%	0.806	83%	0.834	S	S	*	*			trans	-148.9	122.6	149.1	-173.6	0	0	0	0	109.8
163	S	30.6	Very low	34	Very low	100 Å²	100	151.5 Å²	151.5	70%	0.699	83%	0.828	S	S	*	*			trans	-61.3	148.6	169.7	50.5	0	0	0	0	113.7
164	I	35	Very low	33.6	Very low	173 Å²	173	149.1 Å²	149.1	89%	0.887	83%	0.826	S	S	*	*			trans	-154.2	115	131.9	-90.3	138.9	0	0	0	107.3
165	L	29	Very low	33.5	Very low	160 Å²	160	144.8 Å²	144.8	84%	0.838	82%	0.82	S	S	*	*			trans	-101.4	131.4	164.7	-157.4	90.3	0	0	0	104.9
166	E	30.8	Very low	33.6	Very low	168 Å²	168	144.3 Å²	144.3	79%	0.785	82%	0.818	S	S	*	*			trans	165.2	151.3	134.8	-90.5	-173.2	175.1	0	0	113.6
167	L	33.2	Very low	33.6	Very low	138 Å²	138	140.4 Å²	140.4	72%	0.723	81%	0.812	S	S	*	*			trans	82.2	116	171.7	-64.7	112.6	0	0	0	116.4
168	F	35.6	Very low	33.7	Very low	191 Å²	191	138.9 Å²	138.9	84%	0.838	80%	0.802	S	S	*	*			cis	-149.8	154.8	23.3	-107.8	-83.3	0	0	0	112.1
169	I	32.3	Very low	33.7	Very low	166 Å²	166	139.6 Å²	139.6	85%	0.851	80%	0.795	S	S	*	*			trans	-84.9	137.5	-173.5	-65.8	158.5	0	0	0	112.2
170	A	33.3	Very low	33.7	Very low	97 Å²	97	146.6 Å²	146.6	80%	0.802	80%	0.798	S	S	*	*			trans	174.5	99.9	131.4	0	0	0	0	0	112.8
171	A	41.6	Very low	33.7	Very low	90 Å²	90	148.4 Å²	148.4	74%	0.744	79%	0.792	S	S	*	*			trans	153.7	130	143.4	0	0	0	0	0	110.5	V173	A171-V173 PolarHBondContact O-N 3.32Å
172	P	36	Very low	34	Very low	134 Å²	134	143.4 Å²	143.4	87%	0.87	79%	0.786	S	S	*	*			trans	-85.7	107.7	177.7	33	-27.2	0	0	0	109.4
173	V	42	Very low	34.2	Very low	117 Å²	117	145.4 Å²	145.4	71%	0.709	78%	0.784	S	S	*	*			trans	-123.5	117	156.2	179.7	0	0	0	0	107.5	A171 I175	A171-V173 PolarHBondContact O-N 3.32Å; V173-I175 HydrophobicContact CG1-CG1 4.39Å; V173-I175 PolarHBondContact O-N 2.99Å
174	T	32.9	Very low	34.6	Very low	142 Å²	142	149.5 Å²	149.5	87%	0.871	79%	0.789	S	S	*	*			trans	-56.6	99.2	171.8	-53.2	0	0	0	0	109.7
175	I	35.7	Very low	35.2	Very low	151 Å²	151	143.1 Å²	143.1	77%	0.774	76%	0.763	S	S	*	*			trans	-100.5	112.8	170.5	-63.5	178.3	0	0	0	108.5	V173 S177	V173-I175 HydrophobicContact CG1-CG1 4.39Å; V173-I175 PolarHBondContact O-N 2.99Å; I175-S177 PolarHBondContact O-N 3.33Å
176	R	36.4	Very low	36.3	Very low	222 Å²	222	137.2 Å²	137.2	84%	0.838	74%	0.74	S	S	*	*			trans	-48	127.8	167.3	-88.8	174.8	159.6	176.9	-5.9	110.7	S178	R176-S178 PolarHBondContact O-N 2.85Å; R176-S178 VanDerWaalsContact O-N 3.15Å; R176-S178 PolarHBondContact O-OG 2.76Å
177	S	29.4	Very low	38.2	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	74%	0.744	S	S	*	*			trans	-31.1	113.2	160.3	166.6	0	0	0	0	111.9	I175	I175-S177 PolarHBondContact O-N 3.33Å
178	S	36	Very low	40.5	Very low	81 Å²	81	138 Å²	138	57%	0.566	73%	0.732	S	S	*	*			trans	-138.6	113.3	166.2	-59.1	0	0	0	0	106.8	R176 W180	R176-S178 PolarHBondContact O-N 2.85Å; R176-S178 VanDerWaalsContact O-N 3.15Å; R176-S178 PolarHBondContact O-OG 2.76Å; S178-W180 PolarHBondContact O-N 2.86Å
179	N	30.4	Very low	42.7	Very low	144 Å²	144	137.1 Å²	137.1	77%	0.77	73%	0.728	S	S	*	*			trans	-56.3	103.2	177.3	-78.9	-28.9	0	0	0	111.2	I181	N179-I181 PolarHBondContact O-N 3.31Å
180	W	31.1	Very low	45.3	Very low	225 Å²	225	131.8 Å²	131.8	85%	0.852	70%	0.703	S	S	*	*			trans	-87.9	81.2	167	-66.2	93.9	0	0	0	109.7	S178 T182	S178-W180 PolarHBondContact O-N 2.86Å; W180-T182 PolarHBondContact O-N 2.68Å
181	I	36.1	Very low	47.9	Very low	136 Å²	136	131.7 Å²	131.7	70%	0.697	68%	0.682	S	S	*	*			trans	-66.3	117.6	165.6	-67	166.9	0	0	0	108.2	N179 K183	N179-I181 PolarHBondContact O-N 3.31Å; I181-K183 PolarHBondContact O-N 3.48Å
182	T	34	Very low	50.2	Low	129 Å²	129	131.4 Å²	131.4	79%	0.791	66%	0.664	S	S	*	*			trans	1	82.7	160.5	51.8	0	0	0	0	117.3	W180 K184	W180-T182 PolarHBondContact O-N 2.68Å; T182-K184 PolarHBondContact O-N 3.43Å
183	K	37.9	Very low	52.9	Low	175 Å²	175	125 Å²	125	76%	0.761	62%	0.623	S	S	*	*			trans	-70.8	108.5	163.3	-100.3	-178.9	177.2	175.9	0	109.3	I181 A185	I181-K183 PolarHBondContact O-N 3.48Å; K183-A185 PolarHBondContact O-N 3.12Å
184	K	38.9	Very low	55.5	Low	187 Å²	187	119.5 Å²	119.5	81%	0.813	59%	0.589	S	S	*	*			trans	-36.9	121.6	168.4	-73.5	178	175.1	179.9	0	111	T182 G186	T182-K184 PolarHBondContact O-N 3.43Å; K184-G186 PolarHBondContact O-N 3.4Å
185	A	47.1	Very low	58.5	Low	39 Å²	39	112.7 Å²	112.7	32%	0.322	55%	0.548	S	S	.	.			trans	-67.6	102.9	160.2	0	0	0	0	0	106.9	K183	K183-A185 PolarHBondContact O-N 3.12Å
186	G	52.1	Low	61.4	Low	35 Å²	35	105.5 Å²	105.5	36%	0.361	51%	0.511	S	S	.	.			trans	-66.8	-163	178.7	0	0	0	0	0	112.5	K184 R188	K184-G186 PolarHBondContact O-N 3.4Å; G186-R188 PolarHBondContact O-N 3.01Å
187	K	71.4	Confident	64.3	Low	202 Å²	202	95 Å²	95	88%	0.878	47%	0.471	S	S	*	.	S	Bend	trans	-67.1	29.7	176.5	-62.5	-179.1	177.8	178.5	0	114.2	K189	K187-K189 PolarHBondContact O-N 3.43Å
188	R	80.8	Confident	67.4	Low	122 Å²	122	89.5 Å²	89.5	46%	0.46	43%	0.433	S	S	.	.			trans	-63.7	121.8	-178.4	-61.7	-179.6	-170.1	129.4	4	108.6	F149 G186	F149-R188 CarbonylContact C-O 3.56Å; F149-R188 WeakPolarHBondContact CA-O 3.48Å; F149-R188 HydrophobicContact CD1-CB 4.19Å; G186-R188 PolarHBondContact O-N 3.01Å
189	K	82.4	Confident	70.3	Confident	172 Å²	172	85.7 Å²	85.7	75%	0.748	41%	0.406	S	S	*	.			trans	-122.6	143.1	174	-70.9	-173.3	175.6	-172.2	0	108.6	K187	K187-K189 PolarHBondContact O-N 3.43Å
190	P	86.4	Confident	73.4	Confident	53 Å²	53	81.6 Å²	81.6	34%	0.344	39%	0.387	S	S	.	.			trans	-61.3	148.9	173	-20.1	34.8	0	0	0	110.6	P142 F149 K192	P142-P190 HydrophobicContact CB-CB 3.9Å; P142-P190 HydrophobicContact CB-CG 3.74Å; P142-P190 HydrophobicContact CG-CB 3.85Å; P142-P190 HydrophobicContact CG-CG 4.1Å; F149-P190 HydrophobicContact CB-CG 4.14Å; F149-P190 HydrophobicContact CD1-CG 4.15Å; F149-P190 HydrophobicContact CG-CG 4.21Å; P190-K192 PolarHBondContact O-N 2.78Å
191	W	88.3	Confident	76.5	Confident	96 Å²	96	72.3 Å²	72.3	36%	0.364	36%	0.362	S	S	.	.			trans	-65.1	131.7	173.1	-58.3	108.8	0	0	0	109.7	I194 E317 K318	W191-I194 HydrophobicContact CB-CG1 4.37Å; W191-E317 HydrophobicContact CE3-CB 3.45Å; W191-E317 VanDerWaalsContact CE3-CB 3.45Å; W191-E317 HydrophobicContact CE3-CG 4.37Å; W191-E317 HydrophobicContact CZ3-CB 3.54Å; W191-E317 HydrophobicContact CZ3-CG 4.43Å; W191-K318 HydrophobicContact CD2-CB 4.22Å; W191-K318 HydrophobicContact CG-CB 4.15Å
192	K	89.3	Confident	79.4	Confident	84 Å²	84	66.4 Å²	66.4	37%	0.365	33%	0.332	S	S	.	.	S	Bend	trans	-92.9	-21.2	178.6	-64.7	-167	174.7	-160.8	0	113.3	P190 D294 V298	P190-K192 PolarHBondContact O-N 2.78Å; K192-D294 IonicContact NZ-OD1 2.72Å; K192-D294 PolarHBondContact NZ-OD1 3.11Å; K192-V298 PolarHBondContact O-N 2.82Å
193	G	93.3	Very high	82.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.7	180	0	0	0	0	0	111.6	V298 E317 K318	G193-V298 WeakPolarHBondContact CA-O 3.31Å; G193-E317 PolarHBondContact O-N 2.86Å; G193-K318 PolarHBondContact O-N 3.37Å
194	I	94.9	Very high	85.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.5	174.4	-50.9	172.3	0	0	0	109.5	L135 A138 V139 W191 L196 L297 V298 L299 G300 F316 K318 I320	L135-I194 HydrophobicContact CD2-CD1 4.21Å; L135-I194 HydrophobicContact CD2-CG2 4.36Å; A138-I194 HydrophobicContact CB-CD1 3.61Å; V139-I194 HydrophobicContact CG2-CD1 3.66Å; W191-I194 HydrophobicContact CB-CG1 4.37Å; I194-L196 HydrophobicContact CG2-CD2 4.34Å; I194-L297 HydrophobicContact CD1-CD1 3.92Å; I194-L297 HydrophobicContact CD1-CD2 4.4Å; I194-L297 HydrophobicContact CG1-CD1 4Å; I194-V298 PolarHBondContact N-O 3.4Å; I194-L299 HydrophobicContact CB-CD2 3.68Å; I194-L299 HydrophobicContact CD1-CD2 4.13Å; I194-L299 HydrophobicContact CG1-CD2 4.29Å; I194-L299 HydrophobicContact CG2-CD2 4.34Å; I194-L299 WeakPolarHBondContact O-CA 3.28Å; I194-G300 PolarHBondContact O-N 3.45Å; I194-F316 VanDerWaalsContact C-CD1 3.44Å; I194-F316 WeakPolarHBondContact O-CD1 3.39Å; I194-K318 CarbonylContact C-O 3.56Å; I194-K318 VanDerWaalsContact CA-O 3.3Å; I194-K318 WeakPolarHBondContact CA-O 3.43Å; I194-K318 HydrophobicContact CB-CB 4.5Å; I194-K318 HydrophobicContact CG1-CB 4.12Å; I194-K318 HydrophobicContact CG2-CB 4.27Å; I194-K318 HydrophobicContact CG2-CG 4.22Å; I194-I320 HydrophobicContact CG2-CD1 3.69Å; I194-I320 HydrophobicContact CG2-CG1 4.04Å
195	L	96.1	Very high	87.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.7	174.5	-177.7	70.5	0	0	0	110	I260 T302 L308 F316 K318 R319 I320	L195-I260 HydrophobicContact CD1-CG2 4.01Å; L195-T302 HydrophobicContact CD1-CG2 4.02Å; L195-T302 HydrophobicContact CD2-CG2 4.42Å; L195-T302 HydrophobicContact CG-CG2 4.44Å; L195-L308 HydrophobicContact CD2-CD2 4Å; L195-F316 HydrophobicContact CB-CB 3.68Å; L195-F316 HydrophobicContact CB-CD1 4.08Å; L195-F316 HydrophobicContact CB-CG 3.85Å; L195-K318 PolarHBondContact N-O 3.01Å; L195-R319 HydrophobicContact CB-CG 4.24Å; L195-R319 HydrophobicContact CD2-CG 4.49Å; L195-R319 CarbonylContact O-C 3.57Å; L195-R319 WeakPolarHBondContact O-CA 3.45Å; L195-I320 PolarHBondContact O-N 3.26Å
196	L	97	Very high	89.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121	167.3	-53.7	-177	0	0	0	108.5	L135 I194 K204 L207 A208 G300 A301 T302 I320 I322	L135-L196 HydrophobicContact CD1-CD2 4.43Å; L135-L196 HydrophobicContact CD2-CD2 4.33Å; I194-L196 HydrophobicContact CG2-CD2 4.34Å; L196-K204 HydrophobicContact CB-CB 4.35Å; L196-K204 HydrophobicContact CB-CD 4.35Å; L196-K204 HydrophobicContact CB-CG 4.22Å; L196-K204 WeakPolarHBondContact CD1-O 3.34Å; L196-L207 HydrophobicContact CD1-CD2 4.44Å; L196-A208 HydrophobicContact CD1-CB 4.33Å; L196-G300 PolarHBondContact N-O 3.5Å; L196-A301 VanDerWaalsContact O-CA 3.3Å; L196-A301 WeakPolarHBondContact O-CA 3.36Å; L196-T302 PolarHBondContact O-N 2.82Å; L196-T302 VanDerWaalsContact O-N 3.11Å; L196-I320 HydrophobicContact CD2-CB 4.03Å; L196-I320 HydrophobicContact CD2-CD1 4.32Å; L196-I322 HydrophobicContact CB-CG1 4.39Å; L196-I322 HydrophobicContact CD2-CD1 4.47Å
197	F	96.6	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.6	179.4	73.6	-85.7	0	0	0	111.8	T302 P305 R319 I320 Y321 I322 L457 F460 T461	F197-T302 WeakPolarHBondContact CA-O 3.32Å; F197-T302 HydrophobicContact CB-CG2 3.87Å; F197-P305 HydrophobicContact CB-CB 3.99Å; F197-P305 HydrophobicContact CB-CG 4.09Å; F197-P305 HydrophobicContact CD2-CB 4.28Å; F197-P305 HydrophobicContact CD2-CG 3.71Å; F197-P305 HydrophobicContact CE2-CG 4.47Å; F197-P305 HydrophobicContact CG-CB 4.23Å; F197-P305 HydrophobicContact CG-CG 4.14Å; F197-R319 HydrophobicContact CD1-CB 4.33Å; F197-R319 HydrophobicContact CE1-CB 3.95Å; F197-I320 WeakPolarHBondContact CD1-O 3.45Å; F197-I320 PolarHBondContact N-O 3.29Å; F197-Y321 AromaticContact CD2-CD2 3.84Å; F197-Y321 HydrophobicContact CD2-CD2 3.84Å; F197-Y321 AromaticContact CE2-CD2 3.51Å; F197-Y321 HydrophobicContact CE2-CD2 3.51Å; F197-Y321 HydrophobicContact CE2-CE2 4.44Å; F197-Y321 HydrophobicContact CE2-CG 4.11Å; F197-Y321 HydrophobicContact CZ-CD2 4.14Å; F197-Y321 HydrophobicContact CZ-CG 4.3Å; F197-Y321 CarbonylContact O-C 3.4Å; F197-Y321 WeakPolarHBondContact O-CA 3.35Å; F197-I322 PolarHBondContact O-N 3.28Å; F197-L457 HydrophobicContact CD2-CD2 4.14Å; F197-F460 HydrophobicContact CD1-CE1 4.37Å; F197-F460 AromaticContact CD2-CD1 3.96Å; F197-F460 HydrophobicContact CD2-CD1 3.96Å; F197-F460 HydrophobicContact CD2-CE1 4.3Å; F197-F460 HydrophobicContact CE1-CD1 4.44Å; F197-F460 HydrophobicContact CE1-CE1 4.22Å; F197-F460 AromaticContact CE2-CD1 3.59Å; F197-F460 HydrophobicContact CE2-CD1 3.59Å; F197-F460 HydrophobicContact CE2-CE1 4.13Å; F197-F460 HydrophobicContact CG-CE1 4.4Å; F197-F460 AromaticContact CZ-CD1 3.85Å; F197-F460 HydrophobicContact CZ-CD1 3.85Å; F197-F460 HydrophobicContact CZ-CE1 4.08Å; F197-T461 VanDerWaalsContact CE2-OG1 3.28Å; F197-T461 WeakPolarHBondContact CE2-OG1 3.48Å
198	G	96	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.			trans	156.5	-179.7	-178	0	0	0	0	0	111.8	K204 T302 N303	G198-K204 PolarHBondContact O-NZ 2.79Å; G198-T302 PolarHBondContact N-O 3.45Å; G198-N303 WeakPolarHBondContact O-CA 3.46Å; G198-N303 PolarHBondContact O-OD1 2.84Å
199	P	96.6	Very high	93.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-56.4	155.5	-177.2	-20.6	32.4	0	0	0	112.7	T202 K204 I322 L324 V449 L454 L457	P199-T202 HydrophobicContact CB-CG2 3.94Å; P199-T202 HydrophobicContact CG-CG2 4.23Å; P199-T202 WeakPolarHBondContact O-CG2 3.39Å; P199-T202 PolarHBondContact O-OG1 3.05Å; P199-K204 PolarHBondContact O-NZ 3.38Å; P199-I322 VanDerWaalsContact CD-O 3.25Å; P199-I322 WeakPolarHBondContact CD-O 3.39Å; P199-L324 HydrophobicContact CB-CD2 4.21Å; P199-L324 HydrophobicContact CG-CD2 4.34Å; P199-L324 HydrophobicContact CG-CG 4.16Å; P199-V449 HydrophobicContact CB-CG1 3.85Å; P199-V449 HydrophobicContact CB-CG2 3.84Å; P199-V449 HydrophobicContact CG-CG1 4.35Å; P199-L454 HydrophobicContact CG-CD2 3.65Å; P199-L457 HydrophobicContact CB-CD1 4.24Å; P199-L457 HydrophobicContact CG-CD1 3.54Å
200	P	96	Very high	94.2	Very high	57 Å²	57	28 Å²	28	37%	0.37	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	150.6	173.1	27.8	-34.6	0	0	0	110.9	T202 N303 V449	P200-T202 VanDerWaalsContact C-N 3.3Å; P200-T202 PolarHBondContact O-N 2.9Å; P200-N303 WeakPolarHBondContact CA-OD1 3.25Å; P200-V449 HydrophobicContact CG-CG2 4.19Å
201	G	95.4	Very high	94.6	Very high	31 Å²	31	25.4 Å²	25.4	32%	0.32	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	9.2	175.2	0	0	0	0	0	116.3	G362 A363	G201-G362 WeakPolarHBondContact O-CA 3.44Å; G201-G362 PolarHBondContact O-N 3.16Å; G201-A363 PolarHBondContact O-N 3.4Å; G201-A363 VanDerWaalsContact O-N 3.14Å
202	T	96.3	Very high	94.8	Very high	12 Å²	12	20.9 Å²	20.9	7%	0.074	12%	0.118	C	C	.	.	S	Bend	trans	-88.9	4.5	178.9	60	0	0	0	0	114.8	P199 P200 I322 P323 L324	P199-T202 HydrophobicContact CB-CG2 3.94Å; P199-T202 HydrophobicContact CG-CG2 4.23Å; P199-T202 WeakPolarHBondContact O-CG2 3.39Å; P199-T202 PolarHBondContact O-OG1 3.05Å; P200-T202 VanDerWaalsContact C-N 3.3Å; P200-T202 PolarHBondContact O-N 2.9Å; T202-I322 WeakPolarHBondContact OG1-CG2 3.16Å; T202-P323 WeakPolarHBondContact CG2-O 3.04Å; T202-L324 HydrophobicContact CG2-CD2 4Å
203	G	95	Very high	94.9	Very high	30 Å²	30	17.7 Å²	17.7	31%	0.309	11%	0.106	S	C	.	.	S	Bend	trans	89.7	18.2	172.9	0	0	0	0	0	116.1	S205 Y206 L207	G203-S205 PolarHBondContact O-N 2.88Å; G203-Y206 PolarHBondContact O-N 3.07Å; G203-Y206 VanDerWaalsContact O-N 3.11Å; G203-L207 VanDerWaalsContact O-CB 3.31Å; G203-L207 WeakPolarHBondContact O-CB 3.38Å; G203-L207 PolarHBondContact O-N 3.48Å
204	K	96.5	Very high	94.7	Very high	10 Å²	10	20.1 Å²	20.1	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-48.6	-51.6	176.5	-69.2	-178	-69.6	-73.4	0	113.4	L196 G198 P199 L207 A208 A301 T302 N303 I322	L196-K204 HydrophobicContact CB-CB 4.35Å; L196-K204 HydrophobicContact CB-CD 4.35Å; L196-K204 HydrophobicContact CB-CG 4.22Å; L196-K204 WeakPolarHBondContact CD1-O 3.34Å; G198-K204 PolarHBondContact O-NZ 2.79Å; P199-K204 PolarHBondContact O-NZ 3.38Å; K204-L207 PolarHBondContact O-N 3.08Å; K204-A208 PolarHBondContact O-N 2.77Å; K204-A301 HydrophobicContact CB-CB 4.15Å; K204-A301 HydrophobicContact CD-CB 4.37Å; K204-T302 WeakPolarHBondContact CE-O 3.44Å; K204-N303 WeakPolarHBondContact CE-OD1 3.48Å; K204-N303 PolarHBondContact NZ-OD1 2.89Å; K204-I322 HydrophobicContact CG-CB 4.11Å; K204-I322 HydrophobicContact CG-CG1 3.91Å; K204-I322 HydrophobicContact CG-CG2 4.4Å
205	S	94.1	Very high	94.3	Very high	39 Å²	39	20.1 Å²	20.1	27%	0.273	12%	0.117	S	C	.	.	H	α-helix	trans	-69.7	-34	-179.3	-34	0	0	0	0	111.9	G203 A208 K209 D258	G203-S205 PolarHBondContact O-N 2.88Å; S205-A208 PolarHBondContact O-N 3.11Å; S205-K209 WeakPolarHBondContact O-CG 3.38Å; S205-K209 PolarHBondContact O-N 2.75Å; S205-D258 PolarHBondContact OG-OD2 3.35Å
206	Y	93.9	Very high	93.4	Very high	109 Å²	109	26.6 Å²	26.6	43%	0.427	15%	0.152	S	C	.	.	H	α-helix	trans	-69.9	-40	175.9	-162.2	-106	0	0	0	112	V120 D124 V125 G203 K209 A210	V120-Y206 HydrophobicContact CG1-CD1 4.14Å; V120-Y206 HydrophobicContact CG1-CE1 3.54Å; V120-Y206 HydrophobicContact CG1-CE2 4.18Å; V120-Y206 HydrophobicContact CG2-CE2 4.05Å; D124-Y206 HydrophobicContact CB-CE1 4.22Å; V125-Y206 HydrophobicContact CG2-CD1 4Å; V125-Y206 HydrophobicContact CG2-CE1 4.17Å; G203-Y206 PolarHBondContact O-N 3.07Å; G203-Y206 VanDerWaalsContact O-N 3.11Å; Y206-K209 WeakPolarHBondContact O-CB 3.47Å; Y206-K209 PolarHBondContact O-N 3.4Å; Y206-A210 PolarHBondContact O-N 3.25Å
207	L	95.7	Very high	92.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-39.6	173.5	-176.2	66.8	0	0	0	111.5	W122 V125 A131 K132 L135 L196 G203 K204 K209 A210 V211 I322	W122-L207 HydrophobicContact CZ3-CD1 3.76Å; V125-L207 HydrophobicContact CG1-CD1 4.14Å; V125-L207 HydrophobicContact CG2-CD1 4.5Å; A131-L207 HydrophobicContact CB-CD2 4.32Å; K132-L207 HydrophobicContact CG-CD1 4.46Å; L135-L207 HydrophobicContact CD1-CD1 3.93Å; L135-L207 HydrophobicContact CD1-CD2 3.55Å; L135-L207 HydrophobicContact CD1-CG 3.58Å; L196-L207 HydrophobicContact CD1-CD2 4.44Å; G203-L207 VanDerWaalsContact O-CB 3.31Å; G203-L207 WeakPolarHBondContact O-CB 3.38Å; G203-L207 PolarHBondContact O-N 3.48Å; K204-L207 PolarHBondContact O-N 3.08Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 2.92Å; L207-A210 WeakPolarHBondContact O-CB 3.34Å; L207-A210 PolarHBondContact O-N 2.89Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 3.38Å; L207-I322 HydrophobicContact CD2-CD1 3.59Å; L207-I322 HydrophobicContact CD2-CG1 4.43Å
208	A	94.8	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-39.2	174.1	0	0	0	0	0	112.4	L196 K204 S205 V211 A212 F220 F256 L299	L196-A208 HydrophobicContact CD1-CB 4.33Å; K204-A208 PolarHBondContact O-N 2.77Å; S205-A208 PolarHBondContact O-N 3.11Å; A208-V211 PolarHBondContact O-N 2.89Å; A208-A212 PolarHBondContact O-N 3.28Å; A208-F220 HydrophobicContact CB-CE2 4.28Å; A208-F220 HydrophobicContact CB-CZ 4.13Å; A208-F256 HydrophobicContact CB-CD2 3.45Å; A208-F256 VanDerWaalsContact CB-CD2 3.45Å; A208-F256 HydrophobicContact CB-CE2 3.54Å; A208-F256 HydrophobicContact CB-CG 4.02Å; A208-F256 HydrophobicContact CB-CZ 4.19Å; A208-L299 HydrophobicContact CB-CD1 3.87Å
209	K	93.2	Very high	91.2	Very high	65 Å²	65	28.4 Å²	28.4	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-63.9	-42.3	172.4	-68.9	-174.5	-174.9	-137.9	0	111.9	E116 P118 V120 S205 Y206 L207 V211 A212 S213 F220	E116-K209 WeakPolarHBondContact OE1-CE 3.32Å; E116-K209 IonicContact OE1-NZ 3.86Å; E116-K209 PolarHBondContact OE1-NZ 3.41Å; E116-K209 IonicContact OE2-NZ 2.97Å; P118-K209 HydrophobicContact CB-CB 3.85Å; P118-K209 HydrophobicContact CB-CD 4.45Å; P118-K209 HydrophobicContact CB-CG 4.22Å; P118-K209 HydrophobicContact CG-CB 4.12Å; P118-K209 VanDerWaalsContact CG-O 3.3Å; P118-K209 WeakPolarHBondContact CG-O 3.49Å; V120-K209 HydrophobicContact CB-CB 4.46Å; V120-K209 HydrophobicContact CG2-CB 4.08Å; S205-K209 WeakPolarHBondContact O-CG 3.38Å; S205-K209 PolarHBondContact O-N 2.75Å; Y206-K209 WeakPolarHBondContact O-CB 3.47Å; Y206-K209 PolarHBondContact O-N 3.4Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 2.92Å; K209-V211 VanDerWaalsContact C-N 3.35Å; K209-V211 PolarHBondContact O-N 2.97Å; K209-A212 PolarHBondContact O-N 2.87Å; K209-A212 VanDerWaalsContact O-N 3.11Å; K209-S213 PolarHBondContact O-N 2.82Å; K209-S213 PolarHBondContact O-OG 3.21Å; K209-F220 HydrophobicContact CG-CE1 4Å; K209-F220 HydrophobicContact CG-CZ 4.18Å
210	A	93.8	Very high	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.1	0	0	0	0	0	112.2	V120 W122 V125 Y206 L207 A212 S213 E214	V120-A210 HydrophobicContact CB-CB 4.3Å; V120-A210 HydrophobicContact CG1-CB 3.8Å; V120-A210 WeakPolarHBondContact O-CA 3.39Å; W122-A210 HydrophobicContact CE3-CB 4.34Å; W122-A210 HydrophobicContact CZ3-CB 4.34Å; V125-A210 HydrophobicContact CG2-CB 3.84Å; Y206-A210 PolarHBondContact O-N 3.25Å; L207-A210 WeakPolarHBondContact O-CB 3.34Å; L207-A210 PolarHBondContact O-N 2.89Å; A210-A212 VanDerWaalsContact C-N 3.26Å; A210-A212 PolarHBondContact O-N 2.65Å; A210-S213 PolarHBondContact O-N 2.92Å; A210-E214 WeakPolarHBondContact O-CB 3Å; A210-E214 WeakPolarHBondContact O-CG 3.42Å; A210-E214 PolarHBondContact O-N 2.95Å
211	V	93.6	Very high	90.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-42.9	173.7	173.4	0	0	0	0	111.2	W122 L135 V139 L207 A208 K209 E214 A215 I254 L299	W122-V211 HydrophobicContact CH2-CG2 3.68Å; W122-V211 HydrophobicContact CZ3-CG2 4.39Å; L135-V211 HydrophobicContact CB-CG2 4.08Å; L135-V211 HydrophobicContact CD1-CG2 3.65Å; L135-V211 HydrophobicContact CD2-CG2 3.91Å; L135-V211 HydrophobicContact CG-CG2 4.09Å; V139-V211 HydrophobicContact CB-CG1 4.12Å; V139-V211 HydrophobicContact CG1-CG1 3.79Å; V139-V211 HydrophobicContact CG2-CG1 4Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 3.38Å; A208-V211 PolarHBondContact O-N 2.89Å; K209-V211 VanDerWaalsContact C-N 3.35Å; K209-V211 PolarHBondContact O-N 2.97Å; V211-E214 PolarHBondContact O-N 3.22Å; V211-A215 WeakPolarHBondContact O-CB 3.22Å; V211-A215 PolarHBondContact O-N 2.94Å; V211-I254 HydrophobicContact CG1-CD1 4.2Å; V211-L299 HydrophobicContact CB-CD1 4.46Å; V211-L299 HydrophobicContact CG1-CD1 4.34Å
212	A	91.8	Very high	90.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-38.8	-177.5	0	0	0	0	0	113.9	P118 A208 K209 A210 E214 S218 F220 I254	P118-A212 HydrophobicContact CG-CB 3.72Å; A208-A212 PolarHBondContact O-N 3.28Å; K209-A212 PolarHBondContact O-N 2.87Å; K209-A212 VanDerWaalsContact O-N 3.11Å; A210-A212 VanDerWaalsContact C-N 3.26Å; A210-A212 PolarHBondContact O-N 2.65Å; A212-E214 VanDerWaalsContact C-N 3.35Å; A212-S218 PolarHBondContact O-N 2.95Å; A212-F220 HydrophobicContact CB-CB 3.96Å; A212-F220 HydrophobicContact CB-CD2 3.38Å; A212-F220 HydrophobicContact CB-CE2 4.07Å; A212-F220 HydrophobicContact CB-CG 3.94Å; A212-I254 HydrophobicContact CB-CD1 3.73Å
213	S	91.4	Very high	90.4	Very high	17 Å²	17	24.7 Å²	24.7	12%	0.119	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-45	171.8	-60.4	0	0	0	0	111.7	P118 N119 V120 K209 A210 G217	P118-S213 PolarHBondContact O-OG 3.5Å; N119-S213 PolarHBondContact N-OG 2.98Å; V120-S213 PolarHBondContact N-OG 3.36Å; V120-S213 WeakPolarHBondContact O-CB 3.38Å; V120-S213 PolarHBondContact O-OG 2.99Å; K209-S213 PolarHBondContact O-N 2.82Å; K209-S213 PolarHBondContact O-OG 3.21Å; A210-S213 PolarHBondContact O-N 2.92Å; S213-G217 PolarHBondContact O-N 3.39Å
214	E	89.9	Confident	89.9	Confident	52 Å²	52	24.4 Å²	24.4	24%	0.243	13%	0.133	C	C	.	.	H	α-helix	trans	-76.7	-24.6	-175.5	-65.4	-83.6	179.8	0	0	112.6	Q121 W122 I140 A210 V211 A212 N216	Q121-E214 PolarHBondContact OE1-OE1 3.31Å; W122-E214 VanDerWaalsContact CD1-OE2 3.24Å; W122-E214 HydrophobicContact CD2-CG 4.12Å; W122-E214 HydrophobicContact CG-CG 4.07Å; W122-E214 HydrophobicContact CZ2-CB 4.12Å; W122-E214 HydrophobicContact CZ2-CG 4.22Å; W122-E214 PolarHBondContact N-OE1 2.97Å; W122-E214 PolarHBondContact NE1-OE2 3.47Å; I140-E214 HydrophobicContact CD1-CB 3.94Å; A210-E214 WeakPolarHBondContact O-CB 3Å; A210-E214 WeakPolarHBondContact O-CG 3.42Å; A210-E214 PolarHBondContact O-N 2.95Å; V211-E214 PolarHBondContact O-N 3.22Å; A212-E214 VanDerWaalsContact C-N 3.35Å; E214-N216 PolarHBondContact O-N 2.84Å
215	A	86.3	Confident	89	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	55.7	174.6	0	0	0	0	0	112.1	V139 I140 I143 V211 G217 S218 I254	V139-A215 HydrophobicContact CG1-CB 4.2Å; I140-A215 HydrophobicContact CD1-CB 4Å; I143-A215 HydrophobicContact CD1-CB 3.67Å; V211-A215 WeakPolarHBondContact O-CB 3.22Å; V211-A215 PolarHBondContact O-N 2.94Å; A215-G217 PolarHBondContact O-N 2.66Å; A215-S218 WeakPolarHBondContact O-CB 3.19Å; A215-S218 PolarHBondContact O-N 2.87Å; A215-S218 PolarHBondContact O-OG 3.31Å; A215-I254 HydrophobicContact CB-CD1 4.07Å
216	N	77.6	Confident	88.2	Confident	135 Å²	135	24.5 Å²	24.5	72%	0.722	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	29.6	-178.8	-65.2	-15.3	0	0	0	114.4	I143 E214 S218	I143-N216 WeakPolarHBondContact CG2-ND2 3.26Å; E214-N216 PolarHBondContact O-N 2.84Å; N216-S218 VanDerWaalsContact C-N 3.3Å; N216-S218 PolarHBondContact O-N 2.89Å
217	G	71.7	Confident	87.3	Confident	25 Å²	25	23.2 Å²	23.2	26%	0.258	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	37	-174.8	0	0	0	0	0	113.4	S213 A215	S213-G217 PolarHBondContact O-N 3.39Å; A215-G217 PolarHBondContact O-N 2.66Å
218	S	82.7	Confident	86.2	Confident	6 Å²	6	23.4 Å²	23.4	4%	0.042	14%	0.136	C	C	.	.			trans	-51.4	145.6	175.6	-69.7	0	0	0	0	111.1	A212 A215 N216 F220 P252	A212-S218 PolarHBondContact O-N 2.95Å; A215-S218 WeakPolarHBondContact O-CB 3.19Å; A215-S218 PolarHBondContact O-N 2.87Å; A215-S218 PolarHBondContact O-OG 3.31Å; N216-S218 VanDerWaalsContact C-N 3.3Å; N216-S218 PolarHBondContact O-N 2.89Å; S218-F220 PolarHBondContact O-N 3.28Å; S218-P252 WeakPolarHBondContact CB-O 3.23Å
219	T	88.6	Confident	85	Confident	7 Å²	7	27.3 Å²	27.3	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	124.3	176.9	-56.9	0	0	0	0	109.6	M115 F221 H250 P252 S253 I254	M115-T219 HydrophobicContact CG-CG2 3.59Å; M115-T219 HydrophobicContact SD-CG2 3.96Å; T219-F221 HydrophobicContact CG2-CD2 4.18Å; T219-F221 HydrophobicContact CG2-CE1 4.48Å; T219-F221 HydrophobicContact CG2-CE2 3.52Å; T219-F221 HydrophobicContact CG2-CZ 3.72Å; T219-H250 HydrophobicContact CG2-CB 4.12Å; T219-P252 PolarHBondContact N-O 3.08Å; T219-S253 WeakPolarHBondContact O-CA 3.31Å; T219-I254 PolarHBondContact O-N 3.26Å
220	F	92.5	Very high	83.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.7	-178	-171.1	-106.9	0	0	0	110	M115 E116 P118 A208 K209 A212 S218 I254 F256	M115-F220 WeakPolarHBondContact CA-O 3.41Å; E116-F220 HydrophobicContact CG-CD1 4.11Å; E116-F220 PolarHBondContact N-O 3.22Å; E116-F220 WeakPolarHBondContact O-CA 3.37Å; E116-F220 VanDerWaalsContact O-CB 3.28Å; E116-F220 WeakPolarHBondContact O-CB 3.44Å; E116-F220 PolarHBondContact O-N 3.02Å; P118-F220 HydrophobicContact CG-CB 4.33Å; P118-F220 HydrophobicContact CG-CG 4.46Å; A208-F220 HydrophobicContact CB-CE2 4.28Å; A208-F220 HydrophobicContact CB-CZ 4.13Å; K209-F220 HydrophobicContact CG-CE1 4Å; K209-F220 HydrophobicContact CG-CZ 4.18Å; A212-F220 HydrophobicContact CB-CB 3.96Å; A212-F220 HydrophobicContact CB-CD2 3.38Å; A212-F220 HydrophobicContact CB-CE2 4.07Å; A212-F220 HydrophobicContact CB-CG 3.94Å; S218-F220 PolarHBondContact O-N 3.28Å; F220-I254 HydrophobicContact CD2-CB 4.04Å; F220-I254 HydrophobicContact CD2-CG2 3.8Å; F220-I254 HydrophobicContact CE2-CG2 3.9Å; F220-F256 HydrophobicContact CD2-CB 4.46Å; F220-F256 HydrophobicContact CE1-CB 4.02Å; F220-F256 HydrophobicContact CE1-CD1 4.35Å; F220-F256 HydrophobicContact CE1-CG 4.46Å; F220-F256 HydrophobicContact CE2-CB 3.5Å; F220-F256 HydrophobicContact CE2-CG 4.2Å; F220-F256 HydrophobicContact CZ-CB 3.23Å; F220-F256 AromaticContact CZ-CD1 3.85Å; F220-F256 HydrophobicContact CZ-CD1 3.85Å; F220-F256 HydrophobicContact CZ-CD2 4.47Å; F220-F256 AromaticContact CZ-CG 3.61Å; F220-F256 HydrophobicContact CZ-CG 3.61Å
221	F	92.7	Very high	82.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.9	173.4	-63.2	-90.8	0	0	0	108.6	I113 I114 M115 T219 L243 L246 A247 H250 I254 I255 F256	I113-F221 HydrophobicContact CG2-CB 4.29Å; I113-F221 HydrophobicContact CG2-CD1 3.8Å; I114-F221 CarbonylContact O-C 3.56Å; I114-F221 WeakPolarHBondContact O-CA 3.29Å; M115-F221 HydrophobicContact CB-CD1 4.48Å; M115-F221 HydrophobicContact CB-CE1 4.47Å; M115-F221 HydrophobicContact CE-CE1 3.65Å; M115-F221 HydrophobicContact CE-CZ 4.28Å; M115-F221 HydrophobicContact CG-CD1 4.24Å; M115-F221 HydrophobicContact CG-CE1 3.92Å; M115-F221 HydrophobicContact CG-CZ 4.3Å; M115-F221 HydrophobicContact SD-CE1 4.09Å; M115-F221 HydrophobicContact SD-CZ 4.28Å; T219-F221 HydrophobicContact CG2-CD2 4.18Å; T219-F221 HydrophobicContact CG2-CE1 4.48Å; T219-F221 HydrophobicContact CG2-CE2 3.52Å; T219-F221 HydrophobicContact CG2-CZ 3.72Å; F221-L243 HydrophobicContact CB-CD1 3.91Å; F221-L243 HydrophobicContact CD1-CD1 4.39Å; F221-L243 HydrophobicContact CG-CD1 4.39Å; F221-L246 HydrophobicContact CE1-CB 3.78Å; F221-L246 HydrophobicContact CZ-CB 4.17Å; F221-A247 HydrophobicContact CD2-CB 4.17Å; F221-A247 HydrophobicContact CE2-CB 4.1Å; F221-H250 HydrophobicContact CE2-CB 4Å; F221-H250 HydrophobicContact CZ-CB 3.79Å; F221-H250 AromaticContact CZ-CD2 3.96Å; F221-I254 PolarHBondContact N-O 2.94Å; F221-I255 HydrophobicContact CB-CG1 4.44Å; F221-I255 CarbonylContact O-C 3.57Å; F221-I255 WeakPolarHBondContact O-CA 3.37Å; F221-F256 PolarHBondContact O-N 3.39Å
222	S	91.4	Very high	80.2	Confident	21 Å²	21	43.1 Å²	43.1	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.6	176	-172.3	0	0	0	0	110.1	I114	I114-S222 PolarHBondContact N-O 3.26Å; I114-S222 PolarHBondContact O-N 3.31Å
223	V	91	Very high	78.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136	174.3	64.8	0	0	0	0	109.8	L228 L243 F256 I257 D258	V223-L228 HydrophobicContact CG1-CD1 4.44Å; V223-L228 HydrophobicContact CG2-CD1 4.21Å; V223-L228 HydrophobicContact CG2-CD2 3.79Å; V223-L228 HydrophobicContact CG2-CG 3.72Å; V223-L243 HydrophobicContact CG1-CD2 3.85Å; V223-F256 PolarHBondContact N-O 2.97Å; V223-I257 HydrophobicContact CG1-CB 4.49Å; V223-I257 HydrophobicContact CG1-CG1 3.91Å; V223-I257 WeakPolarHBondContact O-CA 3.43Å; V223-D258 PolarHBondContact O-N 3.31Å
224	S	85.6	Confident	77.7	Confident	25 Å²	25	49.1 Å²	49.1	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.9	164	-178.8	0	0	0	0	108.7	S226 D227	S224-S226 WeakPolarHBondContact CB-OG 3.16Å; S224-S226 PolarHBondContact O-N 3.33Å; S224-S226 VanDerWaalsContact O-N 3.13Å; S224-S226 PolarHBondContact OG-N 3.08Å; S224-S226 PolarHBondContact OG-OG 3.46Å; S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 WeakPolarHBondContact O-CB 3.28Å; S224-D227 PolarHBondContact O-N 3.45Å
225	S	76.8	Confident	77.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.1	170.9	55.1	0	0	0	0	113	D227 L228 D258 E259 S262 L263	S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 3.14Å; S225-L228 PolarHBondContact O-N 3.47Å; S225-D258 WeakPolarHBondContact CB-O 3.12Å; S225-D258 PolarHBondContact N-O 3.05Å; S225-D258 VanDerWaalsContact N-O 3.13Å; S225-D258 PolarHBondContact OG-O 2.82Å; S225-E259 VanDerWaalsContact OG-C 3.23Å; S225-E259 PolarHBondContact OG-O 2.97Å; S225-S262 WeakPolarHBondContact CB-OG 3.49Å; S225-S262 PolarHBondContact OG-OG 3.11Å; S225-L263 VanDerWaalsContact O-CD1 3.27Å; S225-L263 WeakPolarHBondContact O-CD1 3.2Å; S225-L263 VanDerWaalsContact O-CG 3.28Å; S225-L263 WeakPolarHBondContact O-CG 3.38Å
226	S	77.2	Confident	76.7	Confident	50 Å²	50	48.8 Å²	48.8	35%	0.35	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.4	173.1	62.3	0	0	0	0	113.6	S224 L228 V229	S224-S226 WeakPolarHBondContact CB-OG 3.16Å; S224-S226 PolarHBondContact O-N 3.33Å; S224-S226 VanDerWaalsContact O-N 3.13Å; S224-S226 PolarHBondContact OG-N 3.08Å; S224-S226 PolarHBondContact OG-OG 3.46Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-V229 PolarHBondContact O-N 3.13Å
227	D	76	Confident	77.1	Confident	83 Å²	83	43.6 Å²	43.6	44%	0.444	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.1	-174.1	-57.9	-19.5	0	0	0	111.7	A112 S224 S225 V229	A112-D227 HydrophobicContact CB-CB 4.22Å; S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 WeakPolarHBondContact O-CB 3.28Å; S224-D227 PolarHBondContact O-N 3.45Å; S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 3.14Å; D227-V229 VanDerWaalsContact C-N 3.29Å
228	L	72.2	Confident	77.6	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16	173.2	-65.5	174.1	0	0	0	112.6	V223 S225 S226 S230 S236 L239 V240 L263	V223-L228 HydrophobicContact CG1-CD1 4.44Å; V223-L228 HydrophobicContact CG2-CD1 4.21Å; V223-L228 HydrophobicContact CG2-CD2 3.79Å; V223-L228 HydrophobicContact CG2-CG 3.72Å; S225-L228 PolarHBondContact O-N 3.47Å; S226-L228 VanDerWaalsContact C-N 3.31Å; L228-S230 PolarHBondContact O-N 3.37Å; L228-S236 WeakPolarHBondContact O-CB 3.43Å; L228-S236 PolarHBondContact O-OG 3.41Å; L228-L239 HydrophobicContact CD2-CB 4.07Å; L228-V240 HydrophobicContact CD1-CG2 4.3Å; L228-V240 HydrophobicContact CD2-CG2 4.38Å; L228-L263 HydrophobicContact CB-CD1 3.93Å; L228-L263 HydrophobicContact CD1-CD1 3.71Å; L228-L263 HydrophobicContact CG-CD1 4.41Å
229	V	69.7	Low	77.6	Confident	83 Å²	83	48.1 Å²	48.1	50%	0.503	25%	0.246	S	C	.	.			trans	-85.4	98.9	176.8	-174.1	0	0	0	0	109.3	S226 D227 L263	S226-V229 PolarHBondContact O-N 3.13Å; D227-V229 VanDerWaalsContact C-N 3.29Å; V229-L263 HydrophobicContact CG2-CD2 3.25Å; V229-L263 HydrophobicContact CG2-CG 4.3Å
230	S	65.3	Low	77.6	Confident	27 Å²	27	47.9 Å²	47.9	19%	0.189	24%	0.244	C	C	.	.			trans	-89.4	155.5	170.2	76	0	0	0	0	111.4	L228 W232 S236	L228-S230 PolarHBondContact O-N 3.37Å; S230-W232 PolarHBondContact O-N 3Å; S230-W232 PolarHBondContact OG-N 3.24Å; S230-W232 PolarHBondContact OG-O 3.18Å; S230-S236 PolarHBondContact N-OG 3.14Å; S230-S236 PolarHBondContact OG-OG 2.95Å
231	K	59.7	Low	77.4	Confident	211 Å²	211	52.4 Å²	52.4	92%	0.917	26%	0.264	S	S	*	.	S	Bend	trans	-69.9	-11.5	171.3	-69.3	-175.3	178.3	-179.2	0	112.9
232	W	54.3	Low	77.1	Confident	159 Å²	159	55 Å²	55	60%	0.602	28%	0.278	S	S	*	.	S	Bend	trans	-105.5	119	-171.6	-58.6	99.2	0	0	0	110.2	S230 G234 E235	S230-W232 PolarHBondContact O-N 3Å; S230-W232 PolarHBondContact OG-N 3.24Å; S230-W232 PolarHBondContact OG-O 3.18Å; W232-G234 PolarHBondContact O-N 3.43Å; W232-E235 HydrophobicContact CB-CB 4.4Å; W232-E235 VanDerWaalsContact CB-CD 3.46Å; W232-E235 HydrophobicContact CB-CG 3.89Å; W232-E235 PolarHBondContact O-N 3Å
233	L	61.6	Low	77	Confident	117 Å²	117	54 Å²	54	61%	0.613	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.8	-179.3	-162.5	86.3	0	0	0	110.9	E235 S274	L233-E235 VanDerWaalsContact C-N 3.28Å; L233-E235 PolarHBondContact O-N 3.47Å; L233-S274 WeakPolarHBondContact CD1-OG 3.34Å
234	G	70	Confident	77.1	Confident	25 Å²	25	53.9 Å²	53.9	26%	0.258	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-23.1	176	0	0	0	0	0	115.1	W232 E237 K238	W232-G234 PolarHBondContact O-N 3.43Å; G234-E237 WeakPolarHBondContact CA-OE2 3.49Å; G234-E237 PolarHBondContact N-OE2 3.46Å; G234-K238 WeakPolarHBondContact O-CG 3.45Å; G234-K238 PolarHBondContact O-N 3.19Å
235	E	76.3	Confident	77.3	Confident	44 Å²	44	55.5 Å²	55.5	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-39.1	176.9	-72.6	-173	-179.8	0	0	111.3	L105 R108 W232 L233 E237 K238 L239	L105-E235 HydrophobicContact CD1-CB 4.23Å; L105-E235 HydrophobicContact CD1-CG 4.28Å; R108-E235 IonicContact CZ-OE2 3.19Å; R108-E235 IonicContact NH1-OE1 2.71Å; R108-E235 PolarHBondContact NH1-OE1 3.29Å; R108-E235 IonicContact NH1-OE2 2.67Å; R108-E235 PolarHBondContact NH1-OE2 3.23Å; W232-E235 HydrophobicContact CB-CB 4.4Å; W232-E235 VanDerWaalsContact CB-CD 3.46Å; W232-E235 HydrophobicContact CB-CG 3.89Å; W232-E235 PolarHBondContact O-N 3Å; L233-E235 VanDerWaalsContact C-N 3.28Å; L233-E235 PolarHBondContact O-N 3.47Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.98Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.24Å; E235-K238 VanDerWaalsContact O-N 3.11Å; E235-L239 WeakPolarHBondContact O-CG 3.43Å; E235-L239 PolarHBondContact O-N 2.92Å
236	S	78.8	Confident	77.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-38.5	-176.1	-58.5	0	0	0	0	112.2	L228 S230 L239 V240 I278	L228-S236 WeakPolarHBondContact O-CB 3.43Å; L228-S236 PolarHBondContact O-OG 3.41Å; S230-S236 PolarHBondContact N-OG 3.14Å; S230-S236 PolarHBondContact OG-OG 2.95Å; S236-L239 WeakPolarHBondContact O-CB 3.33Å; S236-L239 PolarHBondContact O-N 3.25Å; S236-V240 PolarHBondContact O-N 2.94Å; S236-V240 VanDerWaalsContact O-N 3.15Å; S236-I278 VanDerWaalsContact CB-CG1 3.41Å
237	E	84.6	Confident	78.5	Confident	26 Å²	26	54.8 Å²	54.8	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-39	173.9	-58.5	95.7	133.6	0	0	111.7	G234 E235 L239 V240 K241 R277 E281	G234-E237 WeakPolarHBondContact CA-OE2 3.49Å; G234-E237 PolarHBondContact N-OE2 3.46Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.98Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.01Å; E237-V240 PolarHBondContact O-N 3.3Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.43Å; E237-R277 HydrophobicContact CG-CB 4Å; E237-R277 WeakPolarHBondContact OE1-CB 3.46Å; E237-R277 VanDerWaalsContact OE1-CD 3.27Å; E237-R277 WeakPolarHBondContact OE1-CD 3.43Å; E237-E281 HydrophobicContact CB-CB 4.39Å; E237-E281 HydrophobicContact CB-CG 4.33Å; E237-E281 HydrophobicContact CG-CB 4.44Å
238	K	83.7	Confident	79.1	Confident	117 Å²	117	53.1 Å²	53.1	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-36.5	173.2	-67.1	176.9	-177.1	176.8	0	111.2	L105 G234 E235 K241 N242	L105-K238 HydrophobicContact CD2-CB 3.96Å; L105-K238 HydrophobicContact CD2-CD 3.63Å; L105-K238 HydrophobicContact CD2-CG 4.44Å; G234-K238 WeakPolarHBondContact O-CG 3.45Å; G234-K238 PolarHBondContact O-N 3.19Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.24Å; E235-K238 VanDerWaalsContact O-N 3.11Å; K238-K241 PolarHBondContact O-N 3.28Å; K238-N242 VanDerWaalsContact O-CB 3.3Å; K238-N242 WeakPolarHBondContact O-CB 3.46Å; K238-N242 PolarHBondContact O-N 3.45Å; K238-N242 PolarHBondContact O-ND2 3.43Å
239	L	82.8	Confident	79.9	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-48.3	174.9	-63.5	179.1	0	0	0	111.4	L105 L109 L228 E235 S236 E237 N242 L243	L105-L239 HydrophobicContact CD1-CD2 3.92Å; L109-L239 HydrophobicContact CD1-CD2 4.44Å; L109-L239 HydrophobicContact CD2-CB 4.3Å; L109-L239 HydrophobicContact CD2-CD2 3.31Å; L109-L239 HydrophobicContact CD2-CG 4.38Å; L109-L239 HydrophobicContact CG-CD2 3.47Å; L109-L239 VanDerWaalsContact CG-CD2 3.47Å; L228-L239 HydrophobicContact CD2-CB 4.07Å; E235-L239 WeakPolarHBondContact O-CG 3.43Å; E235-L239 PolarHBondContact O-N 2.92Å; S236-L239 WeakPolarHBondContact O-CB 3.33Å; S236-L239 PolarHBondContact O-N 3.25Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.01Å; L239-N242 PolarHBondContact O-N 3.46Å; L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 PolarHBondContact O-N 2.97Å
240	V	88.3	Confident	80.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-46	177.3	176.5	0	0	0	0	111.4	L228 S236 E237 N242 L243 F244 I278 E281 F282 Q285	L228-V240 HydrophobicContact CD1-CG2 4.3Å; L228-V240 HydrophobicContact CD2-CG2 4.38Å; S236-V240 PolarHBondContact O-N 2.94Å; S236-V240 VanDerWaalsContact O-N 3.15Å; E237-V240 PolarHBondContact O-N 3.3Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 3.03Å; V240-L243 PolarHBondContact O-N 3.4Å; V240-F244 HydrophobicContact CG1-CD2 4.29Å; V240-F244 HydrophobicContact CG1-CE2 4.31Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.21Å; V240-I278 HydrophobicContact CG2-CG2 4.1Å; V240-E281 HydrophobicContact CB-CG 4.11Å; V240-E281 HydrophobicContact CG1-CG 4Å; V240-F282 HydrophobicContact CG1-CB 4.15Å; V240-F282 HydrophobicContact CG1-CD2 4.08Å; V240-Q285 HydrophobicContact CG1-CG 4.12Å
241	K	88.2	Confident	81.9	Confident	95 Å²	95	57.3 Å²	57.3	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-56.1	-48.9	175.6	-76.2	-177.7	-177.4	-177.1	0	111.8	E237 K238 F244 T245 E281	E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.28Å; K241-F244 PolarHBondContact O-N 3.03Å; K241-T245 PolarHBondContact O-N 3.11Å; K241-T245 PolarHBondContact O-OG1 2.9Å; K241-E281 WeakPolarHBondContact CE-OE1 3.41Å; K241-E281 WeakPolarHBondContact CE-OE2 3.39Å; K241-E281 HydrophobicContact CG-CG 4.04Å; K241-E281 WeakPolarHBondContact CG-OE1 3.36Å; K241-E281 IonicContact NZ-OE2 3.8Å
242	N	86.4	Confident	83.2	Confident	54 Å²	54	50.7 Å²	50.7	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-69.5	-36	-175.8	-70.4	-13.7	0	0	0	112.4	L109 K238 L239 V240 F244 T245 L246	L109-N242 HydrophobicContact CD1-CB 4Å; L109-N242 WeakPolarHBondContact CD1-ND2 3.48Å; L109-N242 HydrophobicContact CD2-CB 3.6Å; K238-N242 VanDerWaalsContact O-CB 3.3Å; K238-N242 WeakPolarHBondContact O-CB 3.46Å; K238-N242 PolarHBondContact O-N 3.45Å; K238-N242 PolarHBondContact O-ND2 3.43Å; L239-N242 PolarHBondContact O-N 3.46Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 3.03Å; N242-F244 VanDerWaalsContact C-N 3.34Å; N242-F244 PolarHBondContact O-N 3.04Å; N242-T245 PolarHBondContact O-N 3.34Å; N242-L246 WeakPolarHBondContact O-CB 3.28Å; N242-L246 WeakPolarHBondContact O-CG 3.33Å; N242-L246 PolarHBondContact O-N 3.35Å
243	L	89.4	Confident	84.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-54.5	-50.3	171.3	172.8	63.5	0	0	0	111.3	I113 F221 V223 L239 V240 L246 A247 I255	I113-L243 HydrophobicContact CD1-CB 3.85Å; I113-L243 HydrophobicContact CD1-CD1 3.87Å; I113-L243 HydrophobicContact CD1-CG 4.44Å; I113-L243 HydrophobicContact CG1-CD1 4.14Å; I113-L243 HydrophobicContact CG2-CD1 3.85Å; F221-L243 HydrophobicContact CB-CD1 3.91Å; F221-L243 HydrophobicContact CD1-CD1 4.39Å; F221-L243 HydrophobicContact CG-CD1 4.39Å; V223-L243 HydrophobicContact CG1-CD2 3.85Å; L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 PolarHBondContact O-N 2.97Å; V240-L243 PolarHBondContact O-N 3.4Å; L243-L246 PolarHBondContact O-N 3.31Å; L243-A247 WeakPolarHBondContact O-CB 3.4Å; L243-A247 PolarHBondContact O-N 2.63Å; L243-I255 HydrophobicContact CD1-CG2 4.28Å; L243-I255 HydrophobicContact CD2-CG2 3.85Å; L243-I255 HydrophobicContact CG-CD1 4.38Å; L243-I255 HydrophobicContact CG-CG2 4.2Å
244	F	91.6	Very high	86.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-33.4	178.6	-83	-97.2	0	0	0	112.7	V240 K241 N242 A247 R248 I255 F282 Q285 M286 V298	V240-F244 HydrophobicContact CG1-CD2 4.29Å; V240-F244 HydrophobicContact CG1-CE2 4.31Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.21Å; K241-F244 PolarHBondContact O-N 3.03Å; N242-F244 VanDerWaalsContact C-N 3.34Å; N242-F244 PolarHBondContact O-N 3.04Å; F244-A247 PolarHBondContact O-N 3.44Å; F244-R248 VanDerWaalsContact O-CG 3.3Å; F244-R248 WeakPolarHBondContact O-CG 3.41Å; F244-R248 PolarHBondContact O-N 3.18Å; F244-I255 HydrophobicContact CD1-CD1 3.83Å; F244-I255 HydrophobicContact CD2-CD1 4.26Å; F244-I255 HydrophobicContact CE1-CD1 3.87Å; F244-I255 HydrophobicContact CE2-CD1 4.3Å; F244-I255 HydrophobicContact CG-CD1 4.05Å; F244-I255 HydrophobicContact CZ-CD1 4.11Å; F244-F282 AromaticContact CE2-CD2 3.85Å; F244-F282 HydrophobicContact CE2-CD2 3.85Å; F244-F282 AromaticContact CE2-CE2 3.71Å; F244-F282 HydrophobicContact CE2-CE2 3.71Å; F244-F282 HydrophobicContact CZ-CD2 4.27Å; F244-F282 AromaticContact CZ-CE2 3.81Å; F244-F282 HydrophobicContact CZ-CE2 3.81Å; F244-Q285 HydrophobicContact CB-CB 4.36Å; F244-Q285 HydrophobicContact CB-CG 4.31Å; F244-Q285 HydrophobicContact CD1-CB 3.88Å; F244-Q285 HydrophobicContact CD2-CB 3.57Å; F244-Q285 HydrophobicContact CD2-CG 3.89Å; F244-Q285 HydrophobicContact CE1-CB 3.97Å; F244-Q285 HydrophobicContact CE2-CB 3.66Å; F244-Q285 HydrophobicContact CE2-CG 4.36Å; F244-Q285 HydrophobicContact CG-CB 3.67Å; F244-Q285 HydrophobicContact CG-CG 4.07Å; F244-Q285 HydrophobicContact CZ-CB 3.86Å; F244-M286 HydrophobicContact CZ-CG 4.11Å; F244-V298 HydrophobicContact CE1-CG2 4.07Å; F244-V298 HydrophobicContact CZ-CG2 4.18Å
245	T	89.8	Confident	87.6	Confident	58 Å²	58	36.6 Å²	36.6	36%	0.356	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-49.9	172.7	-61.7	0	0	0	0	111.2	K241 N242 A247 R248 E249	K241-T245 PolarHBondContact O-N 3.11Å; K241-T245 PolarHBondContact O-OG1 2.9Å; N242-T245 PolarHBondContact O-N 3.34Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.05Å; T245-R248 WeakPolarHBondContact O-CB 3.43Å; T245-R248 PolarHBondContact O-N 3.2Å; T245-R248 VanDerWaalsContact O-N 3.07Å; T245-E249 WeakPolarHBondContact O-CG 3.27Å; T245-E249 PolarHBondContact O-N 3Å
246	L	88.5	Confident	88.5	Confident	35 Å²	35	34.6 Å²	34.6	18%	0.183	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-42.9	176.3	-70.2	171	0	0	0	111.4	I113 F221 N242 L243 R248 E249 H250	I113-L246 HydrophobicContact CD1-CD1 4.39Å; F221-L246 HydrophobicContact CE1-CB 3.78Å; F221-L246 HydrophobicContact CZ-CB 4.17Å; N242-L246 WeakPolarHBondContact O-CB 3.28Å; N242-L246 WeakPolarHBondContact O-CG 3.33Å; N242-L246 PolarHBondContact O-N 3.35Å; L243-L246 PolarHBondContact O-N 3.31Å; L246-R248 VanDerWaalsContact C-N 3.27Å; L246-R248 PolarHBondContact O-N 3.22Å; L246-E249 PolarHBondContact O-N 3.43Å; L246-E249 VanDerWaalsContact O-N 3.13Å; L246-H250 PolarHBondContact O-CD2 3.4Å; L246-H250 PolarHBondContact O-N 3.07Å; L246-H250 VanDerWaalsContact O-N 3.08Å
247	A	90.4	Very high	89.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-34.9	175.8	0	0	0	0	0	112.9	F221 L243 F244 T245 H250 S253 I255 I296	F221-A247 HydrophobicContact CD2-CB 4.17Å; F221-A247 HydrophobicContact CE2-CB 4.1Å; L243-A247 WeakPolarHBondContact O-CB 3.4Å; L243-A247 PolarHBondContact O-N 2.63Å; F244-A247 PolarHBondContact O-N 3.44Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.05Å; A247-H250 PolarHBondContact O-N 3.37Å; A247-S253 PolarHBondContact O-OG 3.15Å; A247-I255 HydrophobicContact CB-CD1 3.58Å; A247-I255 HydrophobicContact CB-CG1 3.72Å; A247-I296 HydrophobicContact CB-CD1 4.11Å; A247-I296 HydrophobicContact CB-CG2 4.33Å
248	R	90	Very high	89.6	Confident	49 Å²	49	35.4 Å²	35.4	19%	0.185	17%	0.174	C	C	.	.	H	α-helix	trans	-69.8	-35.7	174.4	-72.1	173	-162.2	113.2	3.9	112.9	F244 T245 L246 H250 K251 T291 N293 I296	F244-R248 VanDerWaalsContact O-CG 3.3Å; F244-R248 WeakPolarHBondContact O-CG 3.41Å; F244-R248 PolarHBondContact O-N 3.18Å; T245-R248 WeakPolarHBondContact O-CB 3.43Å; T245-R248 PolarHBondContact O-N 3.2Å; T245-R248 VanDerWaalsContact O-N 3.07Å; L246-R248 VanDerWaalsContact C-N 3.27Å; L246-R248 PolarHBondContact O-N 3.22Å; R248-H250 VanDerWaalsContact C-N 3.27Å; R248-K251 WeakPolarHBondContact O-CG 3.22Å; R248-T291 PolarHBondContact NH2-OG1 2.73Å; R248-N293 PolarHBondContact NE-OD1 2.97Å; R248-N293 PolarHBondContact NH2-OD1 3.4Å; R248-I296 HydrophobicContact CB-CD1 4.22Å; R248-I296 HydrophobicContact CG-CD1 3.41Å; R248-I296 VanDerWaalsContact CG-CD1 3.41Å
249	E	89.3	Confident	90	Very high	97 Å²	97	33.7 Å²	33.7	45%	0.453	17%	0.168	S	C	.	.	H	α-helix	trans	-69.5	-27.7	177.3	-67.5	175.8	167	0	0	112	K90 T245 L246	K90-E249 IonicContact NZ-OE1 3.6Å; K90-E249 PolarHBondContact NZ-OE1 2.89Å; K90-E249 IonicContact NZ-OE2 2.76Å; K90-E249 PolarHBondContact NZ-OE2 3.49Å; T245-E249 WeakPolarHBondContact O-CG 3.27Å; T245-E249 PolarHBondContact O-N 3Å; L246-E249 PolarHBondContact O-N 3.43Å; L246-E249 VanDerWaalsContact O-N 3.13Å
250	H	88.4	Confident	90.5	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.139	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	29.8	-174.9	-75.4	-80.4	0	0	0	114.4	E88 T219 F221 L246 A247 R248 P252	E88-H250 VanDerWaalsContact CD-CE1 3.47Å; E88-H250 VanDerWaalsContact CD-NE2 3.27Å; E88-H250 IonicContact OE1-CE1 2.95Å; E88-H250 PolarHBondContact OE1-CE1 2.96Å; E88-H250 IonicContact OE1-NE2 2.65Å; E88-H250 PolarHBondContact OE1-NE2 3.39Å; E88-H250 IonicContact OE2-CE1 3.29Å; E88-H250 IonicContact OE2-NE2 3.05Å; E88-H250 PolarHBondContact OE2-NE2 3.41Å; T219-H250 HydrophobicContact CG2-CB 4.12Å; F221-H250 HydrophobicContact CE2-CB 4Å; F221-H250 HydrophobicContact CZ-CB 3.79Å; F221-H250 AromaticContact CZ-CD2 3.96Å; L246-H250 PolarHBondContact O-CD2 3.4Å; L246-H250 PolarHBondContact O-N 3.07Å; L246-H250 VanDerWaalsContact O-N 3.08Å; A247-H250 PolarHBondContact O-N 3.37Å; R248-H250 VanDerWaalsContact C-N 3.27Å; H250-P252 CarbonylContact O-C 3.23Å; H250-P252 VanDerWaalsContact O-O 3.12Å
251	K	86.9	Confident	90.6	Very high	74 Å²	74	34.5 Å²	34.5	32%	0.322	17%	0.172	S	C	.	.			trans	-63.3	141.6	179	-69.8	173.3	-177.5	-162	0	111.7	R248 D292 D294 I296	R248-K251 WeakPolarHBondContact O-CG 3.22Å; K251-D292 PolarHBondContact NZ-O 3Å; K251-D292 IonicContact NZ-OD2 2.71Å; K251-D292 PolarHBondContact NZ-OD2 3.13Å; K251-D294 VanDerWaalsContact CD-O 3.23Å; K251-D294 WeakPolarHBondContact CD-O 3.32Å; K251-D294 WeakPolarHBondContact CE-O 3.5Å; K251-D294 PolarHBondContact NZ-O 3.14Å; K251-I296 HydrophobicContact CG-CG1 4.08Å
252	P	87.4	Confident	90.4	Very high	71 Å²	71	31.4 Å²	31.4	46%	0.461	16%	0.162	S	C	.	.	S	Bend	cis	-72.4	136.9	-5.5	31.2	-34.6	0	0	0	111.6	S218 T219 H250 G295	S218-P252 WeakPolarHBondContact CB-O 3.23Å; T219-P252 PolarHBondContact N-O 3.08Å; H250-P252 CarbonylContact O-C 3.23Å; H250-P252 VanDerWaalsContact O-O 3.12Å; P252-G295 WeakPolarHBondContact CA-O 3.47Å
253	S	90.4	Very high	89.9	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.2	-176.2	60.6	0	0	0	0	112.6	T219 A247 G295 I296 L297	T219-S253 WeakPolarHBondContact O-CA 3.31Å; A247-S253 PolarHBondContact O-OG 3.15Å; S253-G295 PolarHBondContact N-O 2.79Å; S253-I296 WeakPolarHBondContact O-CA 3.46Å; S253-L297 PolarHBondContact O-N 3.06Å
254	I	93.2	Very high	89.3	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.5	175.2	-65.4	163.4	0	0	0	107.8	V211 A212 A215 T219 F220 F221 L297 L299	V211-I254 HydrophobicContact CG1-CD1 4.2Å; A212-I254 HydrophobicContact CB-CD1 3.73Å; A215-I254 HydrophobicContact CB-CD1 4.07Å; T219-I254 PolarHBondContact O-N 3.26Å; F220-I254 HydrophobicContact CD2-CB 4.04Å; F220-I254 HydrophobicContact CD2-CG2 3.8Å; F220-I254 HydrophobicContact CE2-CG2 3.9Å; F221-I254 PolarHBondContact N-O 2.94Å; I254-L297 CarbonylContact C-O 3.49Å; I254-L297 WeakPolarHBondContact CA-O 3.05Å; I254-L297 HydrophobicContact CG1-CB 4.19Å; I254-L297 HydrophobicContact CG1-CD2 4.25Å; I254-L299 HydrophobicContact CG2-CD1 3.8Å; I254-L299 HydrophobicContact CG2-CG 3.95Å
255	I	94.6	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.3	169.7	-58.3	173.3	0	0	0	107.4	F221 L243 F244 A247 I257 I296 L297 V298 L299	F221-I255 HydrophobicContact CB-CG1 4.44Å; F221-I255 CarbonylContact O-C 3.57Å; F221-I255 WeakPolarHBondContact O-CA 3.37Å; L243-I255 HydrophobicContact CD1-CG2 4.28Å; L243-I255 HydrophobicContact CD2-CG2 3.85Å; L243-I255 HydrophobicContact CG-CD1 4.38Å; L243-I255 HydrophobicContact CG-CG2 4.2Å; F244-I255 HydrophobicContact CD1-CD1 3.83Å; F244-I255 HydrophobicContact CD2-CD1 4.26Å; F244-I255 HydrophobicContact CE1-CD1 3.87Å; F244-I255 HydrophobicContact CE2-CD1 4.3Å; F244-I255 HydrophobicContact CG-CD1 4.05Å; F244-I255 HydrophobicContact CZ-CD1 4.11Å; A247-I255 HydrophobicContact CB-CD1 3.58Å; A247-I255 HydrophobicContact CB-CG1 3.72Å; I255-I257 HydrophobicContact CG2-CD1 4.32Å; I255-I257 HydrophobicContact CG2-CG1 4Å; I255-I296 HydrophobicContact CD1-CG2 3.97Å; I255-I296 HydrophobicContact CG1-CG2 4.22Å; I255-L297 PolarHBondContact N-O 3.08Å; I255-V298 CarbonylContact O-C 3.58Å; I255-V298 WeakPolarHBondContact O-CA 3.48Å; I255-L299 PolarHBondContact O-N 3.31Å
256	F	95.5	Very high	87.3	Confident	3 Å²	3	31.4 Å²	31.4	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.5	173.3	178.4	-110.7	0	0	0	110.9	A208 F220 F221 V223 D258 L299 A301	A208-F256 HydrophobicContact CB-CD2 3.45Å; A208-F256 VanDerWaalsContact CB-CD2 3.45Å; A208-F256 HydrophobicContact CB-CE2 3.54Å; A208-F256 HydrophobicContact CB-CG 4.02Å; A208-F256 HydrophobicContact CB-CZ 4.19Å; F220-F256 HydrophobicContact CD2-CB 4.46Å; F220-F256 HydrophobicContact CE1-CB 4.02Å; F220-F256 HydrophobicContact CE1-CD1 4.35Å; F220-F256 HydrophobicContact CE1-CG 4.46Å; F220-F256 HydrophobicContact CE2-CB 3.5Å; F220-F256 HydrophobicContact CE2-CG 4.2Å; F220-F256 HydrophobicContact CZ-CB 3.23Å; F220-F256 AromaticContact CZ-CD1 3.85Å; F220-F256 HydrophobicContact CZ-CD1 3.85Å; F220-F256 HydrophobicContact CZ-CD2 4.47Å; F220-F256 AromaticContact CZ-CG 3.61Å; F220-F256 HydrophobicContact CZ-CG 3.61Å; F221-F256 PolarHBondContact O-N 3.39Å; V223-F256 PolarHBondContact N-O 2.97Å; F256-D258 HydrophobicContact CE1-CB 3.71Å; F256-D258 HydrophobicContact CZ-CB 4.07Å; F256-L299 CarbonylContact C-O 3.59Å; F256-L299 WeakPolarHBondContact CA-O 3.35Å; F256-L299 HydrophobicContact CD2-CB 3.8Å; F256-A301 HydrophobicContact CE2-CB 3.65Å; F256-A301 HydrophobicContact CZ-CB 3.62Å
257	I	94.1	Very high	86.1	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	105.7	179.8	-53.8	176.8	0	0	0	108.3	V223 I255 I260 F282 V298 L299 G300 A301	V223-I257 HydrophobicContact CG1-CB 4.49Å; V223-I257 HydrophobicContact CG1-CG1 3.91Å; V223-I257 WeakPolarHBondContact O-CA 3.43Å; I255-I257 HydrophobicContact CG2-CD1 4.32Å; I255-I257 HydrophobicContact CG2-CG1 4Å; I257-I260 HydrophobicContact CB-CD1 4.47Å; I257-I260 HydrophobicContact CG2-CB 4.17Å; I257-I260 HydrophobicContact CG2-CD1 4.31Å; I257-I260 HydrophobicContact CG2-CG1 4.06Å; I257-F282 HydrophobicContact CD1-CD2 4.19Å; I257-F282 HydrophobicContact CD1-CE1 4.35Å; I257-F282 HydrophobicContact CD1-CE2 3.13Å; I257-F282 HydrophobicContact CD1-CZ 3.22Å; I257-V298 HydrophobicContact CD1-CG1 4.23Å; I257-L299 PolarHBondContact N-O 3.14Å; I257-G300 WeakPolarHBondContact O-CA 3.12Å; I257-A301 PolarHBondContact O-N 3.47Å
258	D	93.5	Very high	84.6	Confident	41 Å²	41	40.1 Å²	40.1	22%	0.219	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	152.5	176.7	-143.6	-17.3	0	0	0	111.5	S205 V223 S225 F256 I260	S205-D258 PolarHBondContact OG-OD2 3.35Å; V223-D258 PolarHBondContact O-N 3.31Å; S225-D258 WeakPolarHBondContact CB-O 3.12Å; S225-D258 PolarHBondContact N-O 3.05Å; S225-D258 VanDerWaalsContact N-O 3.13Å; S225-D258 PolarHBondContact OG-O 2.82Å; F256-D258 HydrophobicContact CE1-CB 3.71Å; F256-D258 HydrophobicContact CZ-CB 4.07Å; D258-I260 PolarHBondContact O-N 3.13Å
259	E	92.2	Very high	83.2	Confident	82 Å²	82	45.9 Å²	45.9	38%	0.383	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	39.3	-179.5	-57.8	-175.3	164.9	0	0	113.7	S225 D261 S262 A301	S225-E259 VanDerWaalsContact OG-C 3.23Å; S225-E259 PolarHBondContact OG-O 2.97Å; E259-D261 PolarHBondContact O-N 3.37Å; E259-S262 WeakPolarHBondContact O-CB 3.39Å; E259-S262 PolarHBondContact O-N 3.16Å; E259-A301 WeakPolarHBondContact CA-O 3.13Å; E259-A301 PolarHBondContact N-O 3.04Å; E259-A301 VanDerWaalsContact N-O 3.13Å
260	I	92.3	Very high	82.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.2	-167.8	-166.5	166.5	0	0	0	114.4	L195 I257 D258 S262 L263 C264 F282 A301 L308 I312 F316	L195-I260 HydrophobicContact CD1-CG2 4.01Å; I257-I260 HydrophobicContact CB-CD1 4.47Å; I257-I260 HydrophobicContact CG2-CB 4.17Å; I257-I260 HydrophobicContact CG2-CD1 4.31Å; I257-I260 HydrophobicContact CG2-CG1 4.06Å; D258-I260 PolarHBondContact O-N 3.13Å; I260-S262 PolarHBondContact O-N 3.36Å; I260-L263 PolarHBondContact O-N 2.89Å; I260-C264 HydrophobicContact CG1-CB 4.34Å; I260-C264 VanDerWaalsContact O-CB 3.22Å; I260-C264 WeakPolarHBondContact O-CB 3.13Å; I260-C264 PolarHBondContact O-N 3.47Å; I260-F282 HydrophobicContact CD1-CE1 4.24Å; I260-F282 HydrophobicContact CD1-CZ 4.46Å; I260-A301 PolarHBondContact N-O 2.64Å; I260-L308 HydrophobicContact CG2-CD1 4.07Å; I260-I312 HydrophobicContact CD1-CG2 4.39Å; I260-F316 HydrophobicContact CD1-CE2 3.31Å; I260-F316 HydrophobicContact CD1-CZ 3.37Å
261	D	89.7	Confident	81.3	Confident	24 Å²	24	48.2 Å²	48.2	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-24.3	172.4	51.6	-78.1	0	0	0	114.8	E259 L263 S265 T302 I304 V307	E259-D261 PolarHBondContact O-N 3.37Å; D261-L263 VanDerWaalsContact C-N 3.28Å; D261-L263 PolarHBondContact O-N 3.23Å; D261-S265 WeakPolarHBondContact O-CB 3.36Å; D261-S265 PolarHBondContact O-N 3.15Å; D261-S265 VanDerWaalsContact O-N 3.1Å; D261-S265 PolarHBondContact O-OG 3.43Å; D261-T302 VanDerWaalsContact CG-OG1 3.28Å; D261-T302 VanDerWaalsContact OD1-CB 3.26Å; D261-T302 WeakPolarHBondContact OD1-CB 2.97Å; D261-T302 PolarHBondContact OD1-OG1 3.34Å; D261-I304 HydrophobicContact CB-CD1 4.29Å; D261-I304 HydrophobicContact CB-CG1 3.96Å; D261-I304 VanDerWaalsContact OD2-CD1 3.27Å; D261-I304 WeakPolarHBondContact OD2-CD1 3.49Å; D261-I304 VanDerWaalsContact OD2-CG1 3.24Å; D261-I304 WeakPolarHBondContact OD2-CG1 3.34Å; D261-V307 HydrophobicContact CB-CG2 3.66Å
262	S	84.4	Confident	80.7	Confident	30 Å²	30	47.8 Å²	47.8	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-31.9	-178.6	89	0	0	0	0	113	S225 E259 I260 R267	S225-S262 WeakPolarHBondContact CB-OG 3.49Å; S225-S262 PolarHBondContact OG-OG 3.11Å; E259-S262 WeakPolarHBondContact O-CB 3.39Å; E259-S262 PolarHBondContact O-N 3.16Å; I260-S262 PolarHBondContact O-N 3.36Å; S262-R267 PolarHBondContact O-NH2 3.11Å
263	L	76.7	Confident	80.3	Confident	10 Å²	10	49 Å²	49	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-99.8	-34.3	175.3	-75.6	174.4	0	0	0	113.1	S225 L228 V229 I260 D261 I278	S225-L263 VanDerWaalsContact O-CD1 3.27Å; S225-L263 WeakPolarHBondContact O-CD1 3.2Å; S225-L263 VanDerWaalsContact O-CG 3.28Å; S225-L263 WeakPolarHBondContact O-CG 3.38Å; L228-L263 HydrophobicContact CB-CD1 3.93Å; L228-L263 HydrophobicContact CD1-CD1 3.71Å; L228-L263 HydrophobicContact CG-CD1 4.41Å; V229-L263 HydrophobicContact CG2-CD2 3.25Å; V229-L263 HydrophobicContact CG2-CG 4.3Å; I260-L263 PolarHBondContact O-N 2.89Å; D261-L263 VanDerWaalsContact C-N 3.28Å; D261-L263 PolarHBondContact O-N 3.23Å; L263-I278 HydrophobicContact CD1-CG2 4.24Å; L263-I278 HydrophobicContact CD2-CD1 4.41Å; L263-I278 HydrophobicContact CD2-CG2 4.04Å
264	C	76.1	Confident	79.7	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-106.4	20.3	-166.3	-61.9	0	0	0	0	112.7	I260 L308 D309 I312	I260-C264 HydrophobicContact CG1-CB 4.34Å; I260-C264 VanDerWaalsContact O-CB 3.22Å; I260-C264 WeakPolarHBondContact O-CB 3.13Å; I260-C264 PolarHBondContact O-N 3.47Å; C264-L308 HydrophobicContact CB-CD1 3.53Å; C264-D309 VanDerWaalsContact O-CB 3.31Å; C264-D309 WeakPolarHBondContact O-CB 3.33Å; C264-D309 PolarHBondContact O-N 2.97Å; C264-I312 HydrophobicContact CB-CB 4.27Å; C264-I312 HydrophobicContact CB-CD1 4.32Å; C264-I312 HydrophobicContact CB-CG1 3.88Å; C264-I312 HydrophobicContact CB-CG2 4.01Å
265	S	73.8	Confident	79	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-73	153.4	176.7	36.8	0	0	0	0	112.5	D261 R267 V307	D261-S265 WeakPolarHBondContact O-CB 3.36Å; D261-S265 PolarHBondContact O-N 3.15Å; D261-S265 VanDerWaalsContact O-N 3.1Å; D261-S265 PolarHBondContact O-OG 3.43Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 2.87Å; S265-R267 PolarHBondContact OG-NE 2.93Å; S265-V307 CarbonylContact C-O 3.48Å; S265-V307 VanDerWaalsContact CA-O 3.28Å; S265-V307 WeakPolarHBondContact CA-O 3.37Å
266	T	66.6	Low	78.4	Confident	87 Å²	87	56 Å²	56	53%	0.534	30%	0.298	S	S	.	.			trans	-68.9	90.4	163.9	42.9	0	0	0	0	107.6	V307	T266-V307 PolarHBondContact N-O 3.17Å; T266-V307 PolarHBondContact OG1-O 3.38Å
267	R	63.2	Low	78	Confident	124 Å²	124	61 Å²	61	47%	0.468	32%	0.317	S	S	.	.			trans	-92.5	138.2	177.7	-73.6	-174.5	169.8	166.8	1.3	110.1	S262 S265 E271	S262-R267 PolarHBondContact O-NH2 3.11Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 2.87Å; S265-R267 PolarHBondContact OG-NE 2.93Å; R267-E271 HydrophobicContact CB-CB 3.71Å; R267-E271 HydrophobicContact CB-CG 3.89Å
268	S	59.3	Low	77.6	Confident	93 Å²	93	61.1 Å²	61.1	65%	0.65	32%	0.317	S	S	*	.			trans	-60.6	180	176.4	52.3	0	0	0	0	112.1	N270 E271	S268-N270 PolarHBondContact O-N 2.94Å; S268-E271 PolarHBondContact O-N 3.04Å
269	D	59.1	Low	77.2	Confident	170 Å²	170	60 Å²	60	91%	0.909	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-12.6	-178.7	-63.6	-34.2	0	0	0	115.8
270	N	66	Low	77.1	Confident	152 Å²	152	59.8 Å²	59.8	81%	0.813	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	16.2	176.2	-69	-20.2	0	0	0	115	S268 S272	S268-N270 PolarHBondContact O-N 2.94Å; N270-S272 PolarHBondContact O-N 3.31Å
271	E	71.6	Confident	76.9	Confident	25 Å²	25	60.9 Å²	60.9	12%	0.117	32%	0.32	C	S	.	.			trans	-62.1	121.7	173.5	-170.4	173.3	-154.8	0	0	110.9	R267 S268 E273 A275 K279	R267-E271 HydrophobicContact CB-CB 3.71Å; R267-E271 HydrophobicContact CB-CG 3.89Å; S268-E271 PolarHBondContact O-N 3.04Å; E271-E273 PolarHBondContact O-N 3.31Å; E271-A275 HydrophobicContact CG-CB 3.99Å; E271-K279 WeakPolarHBondContact OE1-CE 3.5Å; E271-K279 IonicContact OE1-NZ 3.96Å; E271-K279 PolarHBondContact OE1-NZ 2.93Å; E271-K279 IonicContact OE2-NZ 3.57Å; E271-K279 PolarHBondContact OE2-NZ 3.07Å
272	S	75.4	Confident	76.9	Confident	65 Å²	65	60.2 Å²	60.2	46%	0.455	32%	0.316	S	S	.	.			trans	-56.5	134.7	174.2	173.7	0	0	0	0	111	N270 S274 A275 R276	N270-S272 PolarHBondContact O-N 3.31Å; S272-S274 PolarHBondContact O-N 3.49Å; S272-S274 VanDerWaalsContact O-N 3.09Å; S272-S274 PolarHBondContact OG-N 2.83Å; S272-A275 WeakPolarHBondContact O-CB 3.4Å; S272-A275 PolarHBondContact O-N 3.29Å; S272-R276 PolarHBondContact O-N 3.3Å
273	E	78.9	Confident	77.1	Confident	95 Å²	95	60.4 Å²	60.4	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-46.1	-39.5	171.3	-81.8	-68	134.9	0	0	112.1	E271 A275 R276 R277	E271-E273 PolarHBondContact O-N 3.31Å; E273-A275 PolarHBondContact O-N 3.49Å; E273-R276 PolarHBondContact O-N 2.98Å; E273-R276 IonicContact OE1-CZ 3.53Å; E273-R276 IonicContact OE1-NH1 2.61Å; E273-R276 PolarHBondContact OE1-NH1 3.41Å; E273-R276 IonicContact OE1-NH2 3.77Å; E273-R276 IonicContact OE2-NH1 3.83Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 2.83Å; E273-R277 IonicContact OE2-NE 2.74Å
274	S	78	Confident	77.7	Confident	33 Å²	33	63.2 Å²	63.2	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-45	177.6	-50.2	0	0	0	0	112.1	L233 S272 R276 R277 I278	L233-S274 WeakPolarHBondContact CD1-OG 3.34Å; S272-S274 PolarHBondContact O-N 3.49Å; S272-S274 VanDerWaalsContact O-N 3.09Å; S272-S274 PolarHBondContact OG-N 2.83Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.29Å; S274-R277 PolarHBondContact O-N 3.35Å; S274-I278 WeakPolarHBondContact O-CD1 3.49Å; S274-I278 VanDerWaalsContact O-CG1 3.22Å; S274-I278 WeakPolarHBondContact O-CG1 3.44Å; S274-I278 PolarHBondContact O-N 3.1Å
275	A	78.5	Confident	78.4	Confident	9 Å²	9	64 Å²	64	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-40.2	179.9	0	0	0	0	0	111.3	E271 S272 E273 R277 I278 K279	E271-A275 HydrophobicContact CG-CB 3.99Å; S272-A275 WeakPolarHBondContact O-CB 3.4Å; S272-A275 PolarHBondContact O-N 3.29Å; E273-A275 PolarHBondContact O-N 3.49Å; A275-R277 VanDerWaalsContact C-N 3.35Å; A275-R277 PolarHBondContact O-N 3.32Å; A275-I278 PolarHBondContact O-N 3.19Å; A275-K279 WeakPolarHBondContact O-CB 3.37Å; A275-K279 PolarHBondContact O-N 2.95Å
276	R	82.3	Confident	79	Confident	111 Å²	111	64.2 Å²	64.2	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-41.2	176.8	-163.9	-175.6	-57.4	133.2	7.7	112	S272 E273 S274 K279 T280	S272-R276 PolarHBondContact O-N 3.3Å; E273-R276 PolarHBondContact O-N 2.98Å; E273-R276 IonicContact OE1-CZ 3.53Å; E273-R276 IonicContact OE1-NH1 2.61Å; E273-R276 PolarHBondContact OE1-NH1 3.41Å; E273-R276 IonicContact OE1-NH2 3.77Å; E273-R276 IonicContact OE2-NH1 3.83Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.29Å; R276-K279 PolarHBondContact O-N 3.46Å; R276-T280 WeakPolarHBondContact O-CB 3.47Å; R276-T280 PolarHBondContact O-N 3.35Å; R276-T280 PolarHBondContact O-OG1 2.83Å
277	R	85.8	Confident	79.8	Confident	109 Å²	109	64.6 Å²	64.6	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-43	178	-67.8	174.3	-171.4	-165.9	0.7	112.5	E237 E273 S274 A275 K279 T280 E281	E237-R277 HydrophobicContact CG-CB 4Å; E237-R277 WeakPolarHBondContact OE1-CB 3.46Å; E237-R277 VanDerWaalsContact OE1-CD 3.27Å; E237-R277 WeakPolarHBondContact OE1-CD 3.43Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 2.83Å; E273-R277 IonicContact OE2-NE 2.74Å; S274-R277 PolarHBondContact O-N 3.35Å; A275-R277 VanDerWaalsContact C-N 3.35Å; A275-R277 PolarHBondContact O-N 3.32Å; R277-K279 PolarHBondContact O-N 2.92Å; R277-T280 PolarHBondContact O-N 2.73Å; R277-E281 WeakPolarHBondContact O-CB 3.32Å; R277-E281 PolarHBondContact O-N 3.2Å
278	I	85	Confident	80.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-47.9	174.7	-63.8	162.2	0	0	0	110.6	S236 V240 L263 S274 A275 T280 E281 F282	S236-I278 VanDerWaalsContact CB-CG1 3.41Å; V240-I278 HydrophobicContact CG2-CG2 4.1Å; L263-I278 HydrophobicContact CD1-CG2 4.24Å; L263-I278 HydrophobicContact CD2-CD1 4.41Å; L263-I278 HydrophobicContact CD2-CG2 4.04Å; S274-I278 WeakPolarHBondContact O-CD1 3.49Å; S274-I278 VanDerWaalsContact O-CG1 3.22Å; S274-I278 WeakPolarHBondContact O-CG1 3.44Å; S274-I278 PolarHBondContact O-N 3.1Å; A275-I278 PolarHBondContact O-N 3.19Å; I278-T280 VanDerWaalsContact C-N 3.32Å; I278-T280 PolarHBondContact O-N 3.15Å; I278-E281 PolarHBondContact O-N 3.36Å; I278-F282 WeakPolarHBondContact O-CB 3.41Å; I278-F282 PolarHBondContact O-N 3.19Å
279	K	86.8	Confident	80.1	Confident	18 Å²	18	60.9 Å²	60.9	8%	0.078	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-43.4	177.6	-167.8	-172.2	-28	-174.2	0	111.8	E271 A275 R276 R277 F282 L283 D309 I312	E271-K279 WeakPolarHBondContact OE1-CE 3.5Å; E271-K279 IonicContact OE1-NZ 3.96Å; E271-K279 PolarHBondContact OE1-NZ 2.93Å; E271-K279 IonicContact OE2-NZ 3.57Å; E271-K279 PolarHBondContact OE2-NZ 3.07Å; A275-K279 WeakPolarHBondContact O-CB 3.37Å; A275-K279 PolarHBondContact O-N 2.95Å; R276-K279 PolarHBondContact O-N 3.46Å; R277-K279 PolarHBondContact O-N 2.92Å; K279-F282 PolarHBondContact O-N 3.23Å; K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 3.04Å; K279-D309 HydrophobicContact CD-CB 4.4Å; K279-I312 HydrophobicContact CG-CD1 4.17Å; K279-I312 HydrophobicContact CG-CG1 4.25Å
280	T	88.6	Confident	79.9	Confident	78 Å²	78	57.8 Å²	57.8	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-47.9	177.3	-56.8	0	0	0	0	111.1	R276 R277 I278 F282 L283 V284	R276-T280 WeakPolarHBondContact O-CB 3.47Å; R276-T280 PolarHBondContact O-N 3.35Å; R276-T280 PolarHBondContact O-OG1 2.83Å; R277-T280 PolarHBondContact O-N 2.73Å; I278-T280 VanDerWaalsContact C-N 3.32Å; I278-T280 PolarHBondContact O-N 3.15Å; T280-F282 VanDerWaalsContact C-N 3.33Å; T280-F282 PolarHBondContact O-N 3.41Å; T280-L283 PolarHBondContact O-N 3.04Å; T280-V284 WeakPolarHBondContact O-CG2 3.47Å; T280-V284 PolarHBondContact O-N 3.4Å
281	E	89.1	Confident	79.8	Confident	25 Å²	25	52.5 Å²	52.5	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-44.1	178.2	-177.2	57.3	-141.4	0	0	111.3	E237 V240 K241 R277 I278 L283 V284 Q285	E237-E281 HydrophobicContact CB-CB 4.39Å; E237-E281 HydrophobicContact CB-CG 4.33Å; E237-E281 HydrophobicContact CG-CB 4.44Å; V240-E281 HydrophobicContact CB-CG 4.11Å; V240-E281 HydrophobicContact CG1-CG 4Å; K241-E281 WeakPolarHBondContact CE-OE1 3.41Å; K241-E281 WeakPolarHBondContact CE-OE2 3.39Å; K241-E281 HydrophobicContact CG-CG 4.04Å; K241-E281 WeakPolarHBondContact CG-OE1 3.36Å; K241-E281 IonicContact NZ-OE2 3.8Å; R277-E281 WeakPolarHBondContact O-CB 3.32Å; R277-E281 PolarHBondContact O-N 3.2Å; I278-E281 PolarHBondContact O-N 3.36Å; E281-L283 PolarHBondContact O-N 2.86Å; E281-V284 PolarHBondContact O-N 3.44Å; E281-Q285 HydrophobicContact CG-CG 4.49Å; E281-Q285 WeakPolarHBondContact O-CG 3.3Å; E281-Q285 PolarHBondContact O-N 3.48Å; E281-Q285 WeakPolarHBondContact OE1-CG 3.4Å; E281-Q285 PolarHBondContact OE1-NE2 3.38Å
282	F	89.1	Confident	79.9	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-44.3	177	-175.4	-106.5	0	0	0	112.4	V240 F244 I257 I260 I278 K279 T280 V284 Q285 M286 V298 I312	V240-F282 HydrophobicContact CG1-CB 4.15Å; V240-F282 HydrophobicContact CG1-CD2 4.08Å; F244-F282 AromaticContact CE2-CD2 3.85Å; F244-F282 HydrophobicContact CE2-CD2 3.85Å; F244-F282 AromaticContact CE2-CE2 3.71Å; F244-F282 HydrophobicContact CE2-CE2 3.71Å; F244-F282 HydrophobicContact CZ-CD2 4.27Å; F244-F282 AromaticContact CZ-CE2 3.81Å; F244-F282 HydrophobicContact CZ-CE2 3.81Å; I257-F282 HydrophobicContact CD1-CD2 4.19Å; I257-F282 HydrophobicContact CD1-CE1 4.35Å; I257-F282 HydrophobicContact CD1-CE2 3.13Å; I257-F282 HydrophobicContact CD1-CZ 3.22Å; I260-F282 HydrophobicContact CD1-CE1 4.24Å; I260-F282 HydrophobicContact CD1-CZ 4.46Å; I278-F282 WeakPolarHBondContact O-CB 3.41Å; I278-F282 PolarHBondContact O-N 3.19Å; K279-F282 PolarHBondContact O-N 3.23Å; T280-F282 VanDerWaalsContact C-N 3.33Å; T280-F282 PolarHBondContact O-N 3.41Å; F282-V284 VanDerWaalsContact C-N 3.35Å; F282-V284 PolarHBondContact O-N 3.37Å; F282-Q285 PolarHBondContact O-N 3.03Å; F282-M286 HydrophobicContact CD1-CG 4.37Å; F282-M286 HydrophobicContact CD1-SD 4.11Å; F282-M286 HydrophobicContact CE1-CG 3.9Å; F282-M286 HydrophobicContact CE1-SD 3.3Å; F282-M286 WeakPolarHBondContact CE1-SD 3.3Å; F282-M286 HydrophobicContact CE2-CG 4.21Å; F282-M286 HydrophobicContact CE2-SD 4.49Å; F282-M286 HydrophobicContact CZ-CG 3.78Å; F282-M286 HydrophobicContact CZ-SD 3.51Å; F282-M286 VanDerWaalsContact CZ-SD 3.51Å; F282-M286 WeakPolarHBondContact O-CG 3.33Å; F282-M286 PolarHBondContact O-N 3.4Å; F282-V298 HydrophobicContact CZ-CG1 4.25Å; F282-I312 HydrophobicContact CD1-CD1 3.67Å; F282-I312 HydrophobicContact CE1-CD1 4.17Å
283	L	88.6	Confident	80.1	Confident	33 Å²	33	53.2 Å²	53.2	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-41	174.9	-75.9	169.4	0	0	0	112.7	K279 T280 E281 M286 Q287 A311 I312 R315	K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 3.04Å; T280-L283 PolarHBondContact O-N 3.04Å; E281-L283 PolarHBondContact O-N 2.86Å; L283-M286 PolarHBondContact O-N 2.87Å; L283-Q287 WeakPolarHBondContact O-CB 3.43Å; L283-Q287 PolarHBondContact O-N 2.82Å; L283-A311 HydrophobicContact CD1-CB 3.9Å; L283-A311 HydrophobicContact CD2-CB 4.16Å; L283-I312 HydrophobicContact CD1-CD1 4.25Å; L283-I312 HydrophobicContact CD2-CD1 3.48Å; L283-I312 VanDerWaalsContact CD2-CD1 3.48Å; L283-I312 HydrophobicContact CD2-CG1 4.03Å; L283-I312 HydrophobicContact CG-CD1 3.59Å; L283-I312 HydrophobicContact CG-CG1 4.34Å; L283-R315 HydrophobicContact CD2-CG 3.79Å
284	V	90	Very high	80.2	Confident	69 Å²	69	53.4 Å²	53.4	42%	0.418	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.5	169.7	0	0	0	0	110.2	T280 E281 F282 Q287 G288	T280-V284 WeakPolarHBondContact O-CG2 3.47Å; T280-V284 PolarHBondContact O-N 3.4Å; E281-V284 PolarHBondContact O-N 3.44Å; F282-V284 VanDerWaalsContact C-N 3.35Å; F282-V284 PolarHBondContact O-N 3.37Å; V284-Q287 PolarHBondContact O-N 3.25Å; V284-G288 PolarHBondContact O-N 2.93Å
285	Q	90.4	Very high	80.5	Confident	19 Å²	19	54.1 Å²	54.1	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-43	177.4	-69.4	-57.6	-37.7	0	0	112.3	V240 F244 E281 F282 Q287 G288 N293	V240-Q285 HydrophobicContact CG1-CG 4.12Å; F244-Q285 HydrophobicContact CB-CB 4.36Å; F244-Q285 HydrophobicContact CB-CG 4.31Å; F244-Q285 HydrophobicContact CD1-CB 3.88Å; F244-Q285 HydrophobicContact CD2-CB 3.57Å; F244-Q285 HydrophobicContact CD2-CG 3.89Å; F244-Q285 HydrophobicContact CE1-CB 3.97Å; F244-Q285 HydrophobicContact CE2-CB 3.66Å; F244-Q285 HydrophobicContact CE2-CG 4.36Å; F244-Q285 HydrophobicContact CG-CB 3.67Å; F244-Q285 HydrophobicContact CG-CG 4.07Å; F244-Q285 HydrophobicContact CZ-CB 3.86Å; E281-Q285 HydrophobicContact CG-CG 4.49Å; E281-Q285 WeakPolarHBondContact O-CG 3.3Å; E281-Q285 PolarHBondContact O-N 3.48Å; E281-Q285 WeakPolarHBondContact OE1-CG 3.4Å; E281-Q285 PolarHBondContact OE1-NE2 3.38Å; F282-Q285 PolarHBondContact O-N 3.03Å; Q285-Q287 PolarHBondContact O-N 2.61Å; Q285-G288 PolarHBondContact O-N 3.22Å; Q285-N293 PolarHBondContact O-ND2 2.86Å
286	M	87.5	Confident	81.1	Confident	19 Å²	19	54.2 Å²	54.2	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-38.1	177	-75.7	-164	80.7	0	0	112.9	F244 F282 L283 G288 N293 V298 R315 F316	F244-M286 HydrophobicContact CZ-CG 4.11Å; F282-M286 HydrophobicContact CD1-CG 4.37Å; F282-M286 HydrophobicContact CD1-SD 4.11Å; F282-M286 HydrophobicContact CE1-CG 3.9Å; F282-M286 HydrophobicContact CE1-SD 3.3Å; F282-M286 WeakPolarHBondContact CE1-SD 3.3Å; F282-M286 HydrophobicContact CE2-CG 4.21Å; F282-M286 HydrophobicContact CE2-SD 4.49Å; F282-M286 HydrophobicContact CZ-CG 3.78Å; F282-M286 HydrophobicContact CZ-SD 3.51Å; F282-M286 VanDerWaalsContact CZ-SD 3.51Å; F282-M286 WeakPolarHBondContact O-CG 3.33Å; F282-M286 PolarHBondContact O-N 3.4Å; L283-M286 PolarHBondContact O-N 2.87Å; M286-G288 VanDerWaalsContact C-N 3.32Å; M286-G288 PolarHBondContact O-N 3.01Å; M286-N293 PolarHBondContact O-ND2 3.18Å; M286-V298 HydrophobicContact CE-CB 4.08Å; M286-V298 HydrophobicContact CE-CG1 4.12Å; M286-V298 HydrophobicContact CE-CG2 4.41Å; M286-R315 HydrophobicContact CB-CB 4.49Å; M286-R315 HydrophobicContact CB-CG 4.43Å; M286-R315 HydrophobicContact CE-CB 3.69Å; M286-R315 HydrophobicContact SD-CB 3.69Å; M286-R315 HydrophobicContact SD-CG 4.36Å; M286-F316 HydrophobicContact CE-CD1 4.42Å; M286-F316 HydrophobicContact CE-CE1 4.07Å; M286-F316 HydrophobicContact CE-CE2 4.35Å; M286-F316 HydrophobicContact CE-CZ 4.02Å; M286-F316 HydrophobicContact SD-CE2 4.33Å; M286-F316 HydrophobicContact SD-CZ 4.29Å
287	Q	82.1	Confident	81.6	Confident	95 Å²	95	49.6 Å²	49.6	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-32.6	-179.9	-174.9	63.5	51.7	0	0	112.3	L283 V284 Q285 V289 R315	L283-Q287 WeakPolarHBondContact O-CB 3.43Å; L283-Q287 PolarHBondContact O-N 2.82Å; V284-Q287 PolarHBondContact O-N 3.25Å; Q285-Q287 PolarHBondContact O-N 2.61Å; Q287-V289 VanDerWaalsContact C-N 3.33Å; Q287-V289 HydrophobicContact CB-CG2 3.9Å; Q287-V289 HydrophobicContact CG-CG2 3.23Å; Q287-V289 PolarHBondContact O-N 3.38Å; Q287-R315 VanDerWaalsContact OE1-NE 3.1Å
288	G	74.8	Confident	82	Confident	18 Å²	18	44.7 Å²	44.7	19%	0.186	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	30.6	179.8	0	0	0	0	0	113.8	V284 Q285 M286 S290 T291	V284-G288 PolarHBondContact O-N 2.93Å; Q285-G288 PolarHBondContact O-N 3.22Å; M286-G288 VanDerWaalsContact C-N 3.32Å; M286-G288 PolarHBondContact O-N 3.01Å; G288-S290 PolarHBondContact O-N 3.32Å; G288-T291 WeakPolarHBondContact CA-O 3.33Å; G288-T291 PolarHBondContact O-N 3.18Å; G288-T291 VanDerWaalsContact O-O 3.05Å
289	V	55.2	Low	82.5	Confident	121 Å²	121	44.5 Å²	44.5	73%	0.733	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.8	-176	-175.2	0	0	0	0	112.6	Q287	Q287-V289 VanDerWaalsContact C-N 3.33Å; Q287-V289 HydrophobicContact CB-CG2 3.9Å; Q287-V289 HydrophobicContact CG-CG2 3.23Å; Q287-V289 PolarHBondContact O-N 3.38Å
290	S	53.2	Low	83	Confident	106 Å²	106	43.6 Å²	43.6	74%	0.741	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	1.4	-179.6	52.7	0	0	0	0	114.1	G288	G288-S290 PolarHBondContact O-N 3.32Å
291	T	64.2	Low	83.4	Confident	41 Å²	41	39.9 Å²	39.9	25%	0.252	24%	0.24	S	C	.	.	S	Bend	trans	-144.3	135.2	-168	56.6	0	0	0	0	111.5	R248 G288 N293	R248-T291 PolarHBondContact NH2-OG1 2.73Å; G288-T291 WeakPolarHBondContact CA-O 3.33Å; G288-T291 PolarHBondContact O-N 3.18Å; G288-T291 VanDerWaalsContact O-O 3.05Å; T291-N293 PolarHBondContact O-N 3.12Å; T291-N293 VanDerWaalsContact O-N 3.1Å
292	D	74.1	Confident	83.7	Confident	92 Å²	92	38.8 Å²	38.8	49%	0.492	24%	0.235	S	C	.	.			trans	-70.1	107.1	175.4	177.1	31.7	0	0	0	111.4	K251 D294	K251-D292 PolarHBondContact NZ-O 3Å; K251-D292 IonicContact NZ-OD2 2.71Å; K251-D292 PolarHBondContact NZ-OD2 3.13Å; D292-D294 WeakPolarHBondContact OD1-CB 3.48Å; D292-D294 PolarHBondContact OD1-N 3.44Å
293	N	80.1	Confident	84	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.064	25%	0.246	C	C	.	.			trans	-92.5	9.6	172.2	-70.1	-8.9	0	0	0	112.4	R248 Q285 M286 T291 G295 I296	R248-N293 PolarHBondContact NE-OD1 2.97Å; R248-N293 PolarHBondContact NH2-OD1 3.4Å; Q285-N293 PolarHBondContact O-ND2 2.86Å; M286-N293 PolarHBondContact O-ND2 3.18Å; T291-N293 PolarHBondContact O-N 3.12Å; T291-N293 VanDerWaalsContact O-N 3.1Å; N293-G295 PolarHBondContact O-N 2.79Å; N293-I296 PolarHBondContact O-N 3.3Å; N293-I296 VanDerWaalsContact O-N 3.15Å
294	D	81.3	Confident	84.3	Confident	99 Å²	99	42 Å²	42	53%	0.529	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	134.9	173.9	-67.7	-8.3	0	0	0	109.7	K192 K251 D292 I296	K192-D294 IonicContact NZ-OD1 2.72Å; K192-D294 PolarHBondContact NZ-OD1 3.11Å; K251-D294 VanDerWaalsContact CD-O 3.23Å; K251-D294 WeakPolarHBondContact CD-O 3.32Å; K251-D294 WeakPolarHBondContact CE-O 3.5Å; K251-D294 PolarHBondContact NZ-O 3.14Å; D292-D294 WeakPolarHBondContact OD1-CB 3.48Å; D292-D294 PolarHBondContact OD1-N 3.44Å; D294-I296 VanDerWaalsContact C-N 3.33Å
295	G	84.3	Confident	84.5	Confident	48 Å²	48	38.7 Å²	38.7	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	4.9	-173.4	0	0	0	0	0	115.3	P252 S253 N293	P252-G295 WeakPolarHBondContact CA-O 3.47Å; S253-G295 PolarHBondContact N-O 2.79Å; N293-G295 PolarHBondContact O-N 2.79Å
296	I	90.6	Very high	84.6	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.4	172.7	-53.8	179.4	0	0	0	109.3	A247 R248 K251 S253 I255 N293 D294	A247-I296 HydrophobicContact CB-CD1 4.11Å; A247-I296 HydrophobicContact CB-CG2 4.33Å; R248-I296 HydrophobicContact CB-CD1 4.22Å; R248-I296 HydrophobicContact CG-CD1 3.41Å; R248-I296 VanDerWaalsContact CG-CD1 3.41Å; K251-I296 HydrophobicContact CG-CG1 4.08Å; S253-I296 WeakPolarHBondContact O-CA 3.46Å; I255-I296 HydrophobicContact CD1-CG2 3.97Å; I255-I296 HydrophobicContact CG1-CG2 4.22Å; N293-I296 PolarHBondContact O-N 3.3Å; N293-I296 VanDerWaalsContact O-N 3.15Å; D294-I296 VanDerWaalsContact C-N 3.33Å
297	L	92.6	Very high	84.8	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.6	170.7	173.5	67	0	0	0	109.8	V139 I194 S253 I254 I255 L299	V139-L297 HydrophobicContact CB-CD2 4.21Å; V139-L297 HydrophobicContact CG1-CD2 3.73Å; V139-L297 HydrophobicContact CG2-CD2 3.42Å; V139-L297 VanDerWaalsContact CG2-CD2 3.42Å; I194-L297 HydrophobicContact CD1-CD1 3.92Å; I194-L297 HydrophobicContact CD1-CD2 4.4Å; I194-L297 HydrophobicContact CG1-CD1 4Å; S253-L297 PolarHBondContact O-N 3.06Å; I254-L297 CarbonylContact C-O 3.49Å; I254-L297 WeakPolarHBondContact CA-O 3.05Å; I254-L297 HydrophobicContact CG1-CB 4.19Å; I254-L297 HydrophobicContact CG1-CD2 4.25Å; I255-L297 PolarHBondContact N-O 3.08Å; L297-L299 HydrophobicContact CD1-CD2 4.47Å; L297-L299 HydrophobicContact CD2-CD2 3.9Å; L297-L299 HydrophobicContact CD2-CG 4.13Å; L297-L299 HydrophobicContact CG-CD2 4.13Å; L297-L299 HydrophobicContact CG-CG 4.28Å
298	V	95	Very high	85.2	Confident	6 Å²	6	37.8 Å²	37.8	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.2	171.4	-173.6	0	0	0	0	109.4	K192 G193 I194 F244 I255 I257 F282 M286 F316	K192-V298 PolarHBondContact O-N 2.82Å; G193-V298 WeakPolarHBondContact CA-O 3.31Å; I194-V298 PolarHBondContact N-O 3.4Å; F244-V298 HydrophobicContact CE1-CG2 4.07Å; F244-V298 HydrophobicContact CZ-CG2 4.18Å; I255-V298 CarbonylContact O-C 3.58Å; I255-V298 WeakPolarHBondContact O-CA 3.48Å; I257-V298 HydrophobicContact CD1-CG1 4.23Å; F282-V298 HydrophobicContact CZ-CG1 4.25Å; M286-V298 HydrophobicContact CE-CB 4.08Å; M286-V298 HydrophobicContact CE-CG1 4.12Å; M286-V298 HydrophobicContact CE-CG2 4.41Å; V298-F316 HydrophobicContact CG1-CE1 4Å; V298-F316 HydrophobicContact CG1-CZ 4.12Å
299	L	95.9	Very high	85.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124	170	-65.8	-175.4	0	0	0	109.2	I194 A208 V211 I254 I255 F256 I257 L297	I194-L299 HydrophobicContact CB-CD2 3.68Å; I194-L299 HydrophobicContact CD1-CD2 4.13Å; I194-L299 HydrophobicContact CG1-CD2 4.29Å; I194-L299 HydrophobicContact CG2-CD2 4.34Å; I194-L299 WeakPolarHBondContact O-CA 3.28Å; A208-L299 HydrophobicContact CB-CD1 3.87Å; V211-L299 HydrophobicContact CB-CD1 4.46Å; V211-L299 HydrophobicContact CG1-CD1 4.34Å; I254-L299 HydrophobicContact CG2-CD1 3.8Å; I254-L299 HydrophobicContact CG2-CG 3.95Å; I255-L299 PolarHBondContact O-N 3.31Å; F256-L299 CarbonylContact C-O 3.59Å; F256-L299 WeakPolarHBondContact CA-O 3.35Å; F256-L299 HydrophobicContact CD2-CB 3.8Å; I257-L299 PolarHBondContact N-O 3.14Å; L297-L299 HydrophobicContact CD1-CD2 4.47Å; L297-L299 HydrophobicContact CD2-CD2 3.9Å; L297-L299 HydrophobicContact CD2-CG 4.13Å; L297-L299 HydrophobicContact CG-CD2 4.13Å; L297-L299 HydrophobicContact CG-CG 4.28Å
300	G	95.8	Very high	87.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.9	170	0	0	0	0	0	110.7	I194 L196 I257	I194-G300 PolarHBondContact O-N 3.45Å; L196-G300 PolarHBondContact N-O 3.5Å; I257-G300 WeakPolarHBondContact O-CA 3.12Å
301	A	96.6	Very high	89.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.6	169.5	0	0	0	0	0	111.8	L196 K204 F256 I257 E259 I260	L196-A301 VanDerWaalsContact O-CA 3.3Å; L196-A301 WeakPolarHBondContact O-CA 3.36Å; K204-A301 HydrophobicContact CB-CB 4.15Å; K204-A301 HydrophobicContact CD-CB 4.37Å; F256-A301 HydrophobicContact CE2-CB 3.65Å; F256-A301 HydrophobicContact CZ-CB 3.62Å; I257-A301 PolarHBondContact O-N 3.47Å; E259-A301 WeakPolarHBondContact CA-O 3.13Å; E259-A301 PolarHBondContact N-O 3.04Å; E259-A301 VanDerWaalsContact N-O 3.13Å; I260-A301 PolarHBondContact N-O 2.64Å
302	T	96	Very high	90.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.1	173.9	-177.4	0	0	0	0	112.4	L195 L196 F197 G198 K204 D261 I304 P305	L195-T302 HydrophobicContact CD1-CG2 4.02Å; L195-T302 HydrophobicContact CD2-CG2 4.42Å; L195-T302 HydrophobicContact CG-CG2 4.44Å; L196-T302 PolarHBondContact O-N 2.82Å; L196-T302 VanDerWaalsContact O-N 3.11Å; F197-T302 WeakPolarHBondContact CA-O 3.32Å; F197-T302 HydrophobicContact CB-CG2 3.87Å; G198-T302 PolarHBondContact N-O 3.45Å; K204-T302 WeakPolarHBondContact CE-O 3.44Å; D261-T302 VanDerWaalsContact CG-OG1 3.28Å; D261-T302 VanDerWaalsContact OD1-CB 3.26Å; D261-T302 WeakPolarHBondContact OD1-CB 2.97Å; D261-T302 PolarHBondContact OD1-OG1 3.34Å; T302-I304 PolarHBondContact OG1-N 3.48Å; T302-I304 VanDerWaalsContact OG1-N 3.1Å; T302-P305 HydrophobicContact CG2-CB 3.79Å
303	N	95.4	Very high	91.2	Very high	52 Å²	52	26.6 Å²	26.6	28%	0.278	16%	0.156	S	C	.	.	S	Bend	trans	-93.3	-17	170.9	-60.3	-41	0	0	0	112.8	G198 P200 K204	G198-N303 WeakPolarHBondContact O-CA 3.46Å; G198-N303 PolarHBondContact O-OD1 2.84Å; P200-N303 WeakPolarHBondContact CA-OD1 3.25Å; K204-N303 WeakPolarHBondContact CE-OD1 3.48Å; K204-N303 PolarHBondContact NZ-OD1 2.89Å
304	I	94.4	Very high	91.7	Very high	59 Å²	59	33.8 Å²	33.8	30%	0.303	18%	0.182	S	C	.	.			trans	-132.6	59.4	-170.1	53.1	168.5	0	0	0	111.5	D261 T302 W306 V307	D261-I304 HydrophobicContact CB-CD1 4.29Å; D261-I304 HydrophobicContact CB-CG1 3.96Å; D261-I304 VanDerWaalsContact OD2-CD1 3.27Å; D261-I304 WeakPolarHBondContact OD2-CD1 3.49Å; D261-I304 VanDerWaalsContact OD2-CG1 3.24Å; D261-I304 WeakPolarHBondContact OD2-CG1 3.34Å; T302-I304 PolarHBondContact OG1-N 3.48Å; T302-I304 VanDerWaalsContact OG1-N 3.1Å; I304-W306 HydrophobicContact CB-CH2 4.34Å; I304-W306 HydrophobicContact CB-CZ2 3.85Å; I304-W306 HydrophobicContact CG2-CH2 4.02Å; I304-W306 HydrophobicContact CG2-CZ2 3.58Å; I304-W306 PolarHBondContact O-N 3.41Å; I304-V307 HydrophobicContact CB-CG2 4.49Å; I304-V307 HydrophobicContact CD1-CG1 4.15Å; I304-V307 HydrophobicContact CD1-CG2 3.64Å; I304-V307 HydrophobicContact CG1-CG2 3.86Å; I304-V307 WeakPolarHBondContact O-CG2 3.45Å; I304-V307 PolarHBondContact O-N 3.17Å; I304-V307 VanDerWaalsContact O-N 3.08Å
305	P	94.6	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.3	-167.6	29.8	-40.9	0	0	0	115	F197 T302 V307 L308 L457 F460	F197-P305 HydrophobicContact CB-CB 3.99Å; F197-P305 HydrophobicContact CB-CG 4.09Å; F197-P305 HydrophobicContact CD2-CB 4.28Å; F197-P305 HydrophobicContact CD2-CG 3.71Å; F197-P305 HydrophobicContact CE2-CG 4.47Å; F197-P305 HydrophobicContact CG-CB 4.23Å; F197-P305 HydrophobicContact CG-CG 4.14Å; T302-P305 HydrophobicContact CG2-CB 3.79Å; P305-V307 VanDerWaalsContact C-N 3.27Å; P305-V307 PolarHBondContact O-N 3.39Å; P305-L308 VanDerWaalsContact O-CB 3.23Å; P305-L308 WeakPolarHBondContact O-CB 3.46Å; P305-L308 PolarHBondContact O-N 2.99Å; P305-L457 HydrophobicContact CG-CD2 3.98Å; P305-F460 HydrophobicContact CB-CD1 3.75Å; P305-F460 HydrophobicContact CB-CD2 4Å; P305-F460 HydrophobicContact CB-CE1 3.56Å; P305-F460 HydrophobicContact CB-CE2 3.8Å; P305-F460 HydrophobicContact CB-CG 3.98Å; P305-F460 HydrophobicContact CB-CZ 3.59Å; P305-F460 HydrophobicContact CG-CB 4.16Å; P305-F460 HydrophobicContact CG-CD1 3.57Å; P305-F460 HydrophobicContact CG-CD2 4.02Å; P305-F460 HydrophobicContact CG-CE1 3.94Å; P305-F460 HydrophobicContact CG-CE2 4.34Å; P305-F460 HydrophobicContact CG-CG 3.62Å; P305-F460 HydrophobicContact CG-CZ 4.31Å; P305-F460 VanDerWaalsContact O-CE2 3.31Å; P305-F460 WeakPolarHBondContact O-CE2 3.33Å
306	W	92.3	Very high	92.5	Very high	78 Å²	78	30.9 Å²	30.9	30%	0.295	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-67.1	-23.1	177.4	53.9	83.4	0	0	0	113.8	I304 L308 K456 L457 F460	I304-W306 HydrophobicContact CB-CH2 4.34Å; I304-W306 HydrophobicContact CB-CZ2 3.85Å; I304-W306 HydrophobicContact CG2-CH2 4.02Å; I304-W306 HydrophobicContact CG2-CZ2 3.58Å; I304-W306 PolarHBondContact O-N 3.41Å; W306-L308 VanDerWaalsContact C-N 3.26Å; W306-K456 HydrophobicContact CD2-CB 4.26Å; W306-K456 HydrophobicContact CE3-CB 3.8Å; W306-K456 HydrophobicContact CH2-CB 3.63Å; W306-K456 HydrophobicContact CH2-CD 3.97Å; W306-K456 HydrophobicContact CH2-CG 4.49Å; W306-K456 HydrophobicContact CZ2-CB 4.1Å; W306-K456 HydrophobicContact CZ2-CD 3.66Å; W306-K456 HydrophobicContact CZ3-CB 3.47Å; W306-K456 VanDerWaalsContact CZ3-CB 3.47Å; W306-L457 HydrophobicContact CH2-CG 4.44Å; W306-L457 HydrophobicContact CZ3-CD2 3.87Å; W306-L457 HydrophobicContact CZ3-CG 3.88Å; W306-F460 HydrophobicContact CB-CD2 4.21Å
307	V	92.1	Very high	92.4	Very high	36 Å²	36	35 Å²	35	22%	0.218	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-79.5	-12.6	176.4	-50.3	0	0	0	0	112.3	D261 S265 T266 I304 P305	D261-V307 HydrophobicContact CB-CG2 3.66Å; S265-V307 CarbonylContact C-O 3.48Å; S265-V307 VanDerWaalsContact CA-O 3.28Å; S265-V307 WeakPolarHBondContact CA-O 3.37Å; T266-V307 PolarHBondContact N-O 3.17Å; T266-V307 PolarHBondContact OG1-O 3.38Å; I304-V307 HydrophobicContact CB-CG2 4.49Å; I304-V307 HydrophobicContact CD1-CG1 4.15Å; I304-V307 HydrophobicContact CD1-CG2 3.64Å; I304-V307 HydrophobicContact CG1-CG2 3.86Å; I304-V307 WeakPolarHBondContact O-CG2 3.45Å; I304-V307 PolarHBondContact O-N 3.17Å; I304-V307 VanDerWaalsContact O-N 3.08Å; P305-V307 VanDerWaalsContact C-N 3.27Å; P305-V307 PolarHBondContact O-N 3.39Å
308	L	91.3	Very high	92.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-68.1	131.3	-173.2	-164.4	69.7	0	0	0	112	L195 I260 C264 P305 W306 I312 R313	L195-L308 HydrophobicContact CD2-CD2 4Å; I260-L308 HydrophobicContact CG2-CD1 4.07Å; C264-L308 HydrophobicContact CB-CD1 3.53Å; P305-L308 VanDerWaalsContact O-CB 3.23Å; P305-L308 WeakPolarHBondContact O-CB 3.46Å; P305-L308 PolarHBondContact O-N 2.99Å; W306-L308 VanDerWaalsContact C-N 3.26Å; L308-I312 HydrophobicContact CD1-CG2 3.96Å; L308-I312 HydrophobicContact CD2-CG2 4.14Å; L308-I312 HydrophobicContact CG-CB 4.37Å; L308-I312 HydrophobicContact CG-CG2 4.1Å; L308-R313 HydrophobicContact CD2-CB 4.17Å; L308-R313 HydrophobicContact CD2-CG 4.41Å; L308-R313 PolarHBondContact O-NH2 3.33Å
309	D	87.8	Confident	92.3	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	17%	0.174	C	C	.	.			trans	-52.4	139.3	175.7	177.8	-94.6	0	0	0	111.9	C264 K279 A311 I312 R313	C264-D309 VanDerWaalsContact O-CB 3.31Å; C264-D309 WeakPolarHBondContact O-CB 3.33Å; C264-D309 PolarHBondContact O-N 2.97Å; K279-D309 HydrophobicContact CD-CB 4.4Å; D309-A311 VanDerWaalsContact C-N 3.3Å; D309-A311 PolarHBondContact O-N 2.74Å; D309-A311 WeakPolarHBondContact OD1-CA 3.46Å; D309-A311 WeakPolarHBondContact OD1-CB 3.47Å; D309-A311 PolarHBondContact OD1-N 3.28Å; D309-I312 HydrophobicContact CB-CB 4.43Å; D309-I312 HydrophobicContact CB-CG1 4.16Å; D309-I312 PolarHBondContact O-N 3.46Å; D309-I312 PolarHBondContact OD1-N 2.86Å; D309-R313 WeakPolarHBondContact O-CB 3.33Å; D309-R313 PolarHBondContact O-N 3.41Å
310	A	89	Confident	92.2	Very high	38 Å²	38	36.9 Å²	36.9	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-66.6	-29.5	-174.1	0	0	0	0	0	113	R314	A310-R314 WeakPolarHBondContact O-CG 3.46Å; A310-R314 PolarHBondContact O-N 2.9Å
311	A	89.4	Confident	92.2	Very high	33 Å²	33	39.6 Å²	39.6	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-70.4	-42.2	175.8	0	0	0	0	0	111	L283 D309 R314 R315	L283-A311 HydrophobicContact CD1-CB 3.9Å; L283-A311 HydrophobicContact CD2-CB 4.16Å; D309-A311 VanDerWaalsContact C-N 3.3Å; D309-A311 PolarHBondContact O-N 2.74Å; D309-A311 WeakPolarHBondContact OD1-CA 3.46Å; D309-A311 WeakPolarHBondContact OD1-CB 3.47Å; D309-A311 PolarHBondContact OD1-N 3.28Å; A311-R314 PolarHBondContact O-N 2.71Å; A311-R315 PolarHBondContact O-N 3.17Å
312	I	90.1	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-47.9	176.3	-60.6	-79.3	0	0	0	110.3	I260 C264 K279 F282 L283 L308 D309 R314 R315 F316	I260-I312 HydrophobicContact CD1-CG2 4.39Å; C264-I312 HydrophobicContact CB-CB 4.27Å; C264-I312 HydrophobicContact CB-CD1 4.32Å; C264-I312 HydrophobicContact CB-CG1 3.88Å; C264-I312 HydrophobicContact CB-CG2 4.01Å; K279-I312 HydrophobicContact CG-CD1 4.17Å; K279-I312 HydrophobicContact CG-CG1 4.25Å; F282-I312 HydrophobicContact CD1-CD1 3.67Å; F282-I312 HydrophobicContact CE1-CD1 4.17Å; L283-I312 HydrophobicContact CD1-CD1 4.25Å; L283-I312 HydrophobicContact CD2-CD1 3.48Å; L283-I312 VanDerWaalsContact CD2-CD1 3.48Å; L283-I312 HydrophobicContact CD2-CG1 4.03Å; L283-I312 HydrophobicContact CG-CD1 3.59Å; L283-I312 HydrophobicContact CG-CG1 4.34Å; L308-I312 HydrophobicContact CD1-CG2 3.96Å; L308-I312 HydrophobicContact CD2-CG2 4.14Å; L308-I312 HydrophobicContact CG-CB 4.37Å; L308-I312 HydrophobicContact CG-CG2 4.1Å; D309-I312 HydrophobicContact CB-CB 4.43Å; D309-I312 HydrophobicContact CB-CG1 4.16Å; D309-I312 PolarHBondContact O-N 3.46Å; D309-I312 PolarHBondContact OD1-N 2.86Å; I312-R314 PolarHBondContact O-N 3.39Å; I312-R314 VanDerWaalsContact O-N 3.14Å; I312-R315 WeakPolarHBondContact O-CB 3.3Å; I312-R315 PolarHBondContact O-N 3.25Å; I312-F316 HydrophobicContact CG2-CD2 4.03Å; I312-F316 HydrophobicContact CG2-CE2 3.77Å; I312-F316 WeakPolarHBondContact O-CD2 3.5Å; I312-F316 PolarHBondContact O-N 3.49Å
313	R	90.9	Very high	92.1	Very high	33 Å²	33	41.9 Å²	41.9	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-31.5	177.2	-160.4	-168.1	-43.7	161.9	8.5	112.7	L308 D309 F316 R319 F460 F464	L308-R313 HydrophobicContact CD2-CB 4.17Å; L308-R313 HydrophobicContact CD2-CG 4.41Å; L308-R313 PolarHBondContact O-NH2 3.33Å; D309-R313 WeakPolarHBondContact O-CB 3.33Å; D309-R313 PolarHBondContact O-N 3.41Å; R313-F316 VanDerWaalsContact O-O 3.05Å; R313-R319 PolarHBondContact O-NE 3.18Å; R313-R319 PolarHBondContact O-NH2 3.33Å; R313-F460 HydrophobicContact CG-CZ 4.46Å; R313-F464 VanDerWaalsContact NH1-CE1 3.31Å; R313-F464 VanDerWaalsContact NH1-CE2 3.3Å
314	R	89.8	Confident	92.2	Very high	164 Å²	164	41 Å²	41	62%	0.619	20%	0.195	S	C	*	.	H	α-helix	trans	-74.1	-24.9	175	-76.7	174.4	-175.1	117.2	-5.5	113.7	A310 A311 I312	A310-R314 WeakPolarHBondContact O-CG 3.46Å; A310-R314 PolarHBondContact O-N 2.9Å; A311-R314 PolarHBondContact O-N 2.71Å; I312-R314 PolarHBondContact O-N 3.39Å; I312-R314 VanDerWaalsContact O-N 3.14Å
315	R	91	Very high	92.3	Very high	86 Å²	86	39 Å²	39	33%	0.325	19%	0.185	S	C	.	.	H	α-helix	trans	-79.3	-22.7	175.1	-65.5	-69.1	175.1	-91.4	0.2	112.7	L283 M286 Q287 A311 I312 E317	L283-R315 HydrophobicContact CD2-CG 3.79Å; M286-R315 HydrophobicContact CB-CB 4.49Å; M286-R315 HydrophobicContact CB-CG 4.43Å; M286-R315 HydrophobicContact CE-CB 3.69Å; M286-R315 HydrophobicContact SD-CB 3.69Å; M286-R315 HydrophobicContact SD-CG 4.36Å; Q287-R315 VanDerWaalsContact OE1-NE 3.1Å; A311-R315 PolarHBondContact O-N 3.17Å; I312-R315 WeakPolarHBondContact O-CB 3.3Å; I312-R315 PolarHBondContact O-N 3.25Å; R315-E317 PolarHBondContact O-N 3.03Å
316	F	92.4	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.			trans	-89.1	85.3	165.7	-66.4	-73.4	0	0	0	110.3	I194 L195 I260 M286 V298 I312 R313 R319	I194-F316 VanDerWaalsContact C-CD1 3.44Å; I194-F316 WeakPolarHBondContact O-CD1 3.39Å; L195-F316 HydrophobicContact CB-CB 3.68Å; L195-F316 HydrophobicContact CB-CD1 4.08Å; L195-F316 HydrophobicContact CB-CG 3.85Å; I260-F316 HydrophobicContact CD1-CE2 3.31Å; I260-F316 HydrophobicContact CD1-CZ 3.37Å; M286-F316 HydrophobicContact CE-CD1 4.42Å; M286-F316 HydrophobicContact CE-CE1 4.07Å; M286-F316 HydrophobicContact CE-CE2 4.35Å; M286-F316 HydrophobicContact CE-CZ 4.02Å; M286-F316 HydrophobicContact SD-CE2 4.33Å; M286-F316 HydrophobicContact SD-CZ 4.29Å; V298-F316 HydrophobicContact CG1-CE1 4Å; V298-F316 HydrophobicContact CG1-CZ 4.12Å; I312-F316 HydrophobicContact CG2-CD2 4.03Å; I312-F316 HydrophobicContact CG2-CE2 3.77Å; I312-F316 WeakPolarHBondContact O-CD2 3.5Å; I312-F316 PolarHBondContact O-N 3.49Å; R313-F316 VanDerWaalsContact O-O 3.05Å; F316-R319 PolarHBondContact O-NE 2.74Å
317	E	87.5	Confident	92.7	Very high	96 Å²	96	42 Å²	42	45%	0.449	21%	0.213	S	C	.	.			trans	-68.9	-38.7	-174.2	-61	173.7	144.4	0	0	111.9	W191 G193 R315	W191-E317 HydrophobicContact CE3-CB 3.45Å; W191-E317 VanDerWaalsContact CE3-CB 3.45Å; W191-E317 HydrophobicContact CE3-CG 4.37Å; W191-E317 HydrophobicContact CZ3-CB 3.54Å; W191-E317 HydrophobicContact CZ3-CG 4.43Å; G193-E317 PolarHBondContact O-N 2.86Å; R315-E317 PolarHBondContact O-N 3.03Å
318	K	92	Very high	92.9	Very high	21 Å²	21	43.4 Å²	43.4	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.6	172.4	-172.5	68	177.2	178.9	0	109.1	W191 G193 I194 L195 I320	W191-K318 HydrophobicContact CD2-CB 4.22Å; W191-K318 HydrophobicContact CG-CB 4.15Å; G193-K318 PolarHBondContact O-N 3.37Å; I194-K318 CarbonylContact C-O 3.56Å; I194-K318 VanDerWaalsContact CA-O 3.3Å; I194-K318 WeakPolarHBondContact CA-O 3.43Å; I194-K318 HydrophobicContact CB-CB 4.5Å; I194-K318 HydrophobicContact CG1-CB 4.12Å; I194-K318 HydrophobicContact CG2-CB 4.27Å; I194-K318 HydrophobicContact CG2-CG 4.22Å; L195-K318 PolarHBondContact N-O 3.01Å; K318-I320 HydrophobicContact CG-CD1 4.29Å; K318-I320 HydrophobicContact CG-CG1 4.07Å
319	R	94.5	Very high	93.2	Very high	39 Å²	39	43.7 Å²	43.7	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.6	-179	-56.1	174.2	-164.2	136.1	2.2	108.2	L195 F197 R313 F316 F464	L195-R319 HydrophobicContact CB-CG 4.24Å; L195-R319 HydrophobicContact CD2-CG 4.49Å; L195-R319 CarbonylContact O-C 3.57Å; L195-R319 WeakPolarHBondContact O-CA 3.45Å; F197-R319 HydrophobicContact CD1-CB 4.33Å; F197-R319 HydrophobicContact CE1-CB 3.95Å; R313-R319 PolarHBondContact O-NE 3.18Å; R313-R319 PolarHBondContact O-NH2 3.33Å; F316-R319 PolarHBondContact O-NE 2.74Å; R319-F464 WeakPolarHBondContact CD-O 3.35Å; R319-F464 PolarHBondContact NH1-O 3.3Å
320	I	94.4	Very high	93.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119	-171.9	-55.7	177.4	0	0	0	108	A131 A134 L135 I194 L195 L196 F197 K318 I322	A131-I320 HydrophobicContact CB-CG2 3.72Å; A134-I320 HydrophobicContact CB-CD1 3.8Å; A134-I320 HydrophobicContact CB-CG1 4.28Å; L135-I320 HydrophobicContact CD2-CD1 3.8Å; L135-I320 HydrophobicContact CG-CD1 3.76Å; I194-I320 HydrophobicContact CG2-CD1 3.69Å; I194-I320 HydrophobicContact CG2-CG1 4.04Å; L195-I320 PolarHBondContact O-N 3.26Å; L196-I320 HydrophobicContact CD2-CB 4.03Å; L196-I320 HydrophobicContact CD2-CD1 4.32Å; F197-I320 WeakPolarHBondContact CD1-O 3.45Å; F197-I320 PolarHBondContact N-O 3.29Å; K318-I320 HydrophobicContact CG-CD1 4.29Å; K318-I320 HydrophobicContact CG-CG1 4.07Å; I320-I322 HydrophobicContact CG2-CD1 3.92Å
321	Y	95.2	Very high	94.1	Very high	56 Å²	56	43.2 Å²	43.2	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129	174.6	178.8	-123.2	0	0	0	110.3	F197 P323 L457	F197-Y321 AromaticContact CD2-CD2 3.84Å; F197-Y321 HydrophobicContact CD2-CD2 3.84Å; F197-Y321 AromaticContact CE2-CD2 3.51Å; F197-Y321 HydrophobicContact CE2-CD2 3.51Å; F197-Y321 HydrophobicContact CE2-CE2 4.44Å; F197-Y321 HydrophobicContact CE2-CG 4.11Å; F197-Y321 HydrophobicContact CZ-CD2 4.14Å; F197-Y321 HydrophobicContact CZ-CG 4.3Å; F197-Y321 CarbonylContact O-C 3.4Å; F197-Y321 WeakPolarHBondContact O-CA 3.35Å; Y321-P323 HydrophobicContact CD1-CB 4.25Å; Y321-P323 HydrophobicContact CE1-CB 3.67Å; Y321-P323 WeakPolarHBondContact O-CD 3.48Å; Y321-L457 HydrophobicContact CE2-CB 4.12Å; Y321-L457 HydrophobicContact CE2-CD1 4.43Å; Y321-L457 HydrophobicContact CE2-CD2 4.46Å
322	I	95.9	Very high	94.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.			trans	-108.1	96.5	176.8	-51.9	-53.9	0	0	0	108.2	L128 A131 L196 F197 P199 T202 K204 L207 I320	L128-I322 HydrophobicContact CD1-CG2 3.85Å; L128-I322 HydrophobicContact CD2-CG2 3.89Å; A131-I322 HydrophobicContact CB-CD1 3.55Å; L196-I322 HydrophobicContact CB-CG1 4.39Å; L196-I322 HydrophobicContact CD2-CD1 4.47Å; F197-I322 PolarHBondContact O-N 3.28Å; P199-I322 VanDerWaalsContact CD-O 3.25Å; P199-I322 WeakPolarHBondContact CD-O 3.39Å; T202-I322 WeakPolarHBondContact OG1-CG2 3.16Å; K204-I322 HydrophobicContact CG-CB 4.11Å; K204-I322 HydrophobicContact CG-CG1 3.91Å; K204-I322 HydrophobicContact CG-CG2 4.4Å; L207-I322 HydrophobicContact CD2-CD1 3.59Å; L207-I322 HydrophobicContact CD2-CG1 4.43Å; I320-I322 HydrophobicContact CG2-CD1 3.92Å
323	P	94.9	Very high	94.7	Very high	50 Å²	50	46.2 Å²	46.2	33%	0.325	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-71.1	171.2	-175.2	30.5	-37.2	0	0	0	112.8	L128 T202 Y321	L128-P323 HydrophobicContact CD2-CG 4.06Å; T202-P323 WeakPolarHBondContact CG2-O 3.04Å; Y321-P323 HydrophobicContact CD1-CB 4.25Å; Y321-P323 HydrophobicContact CE1-CB 3.67Å; Y321-P323 WeakPolarHBondContact O-CD 3.48Å
324	L	96.6	Very high	95	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.178	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.7	145.9	160.5	-71.8	175.2	0	0	0	110.1	P199 T202 V449 L454	P199-L324 HydrophobicContact CB-CD2 4.21Å; P199-L324 HydrophobicContact CG-CD2 4.34Å; P199-L324 HydrophobicContact CG-CG 4.16Å; T202-L324 HydrophobicContact CG2-CD2 4Å; L324-V449 HydrophobicContact CD1-CG1 4.46Å; L324-V449 HydrophobicContact CD2-CB 4.45Å; L324-V449 HydrophobicContact CD2-CG2 4.08Å; L324-L454 HydrophobicContact CD1-CD1 3.97Å; L324-L454 HydrophobicContact CD1-CD2 4.02Å; L324-L454 HydrophobicContact CG-CD2 4.37Å
325	P	96.8	Very high	95.3	Very high	16 Å²	16	39 Å²	39	10%	0.104	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-66.1	139.2	179.7	28.1	-35.4	0	0	0	111.6	A329 R330 I333 Y360	P325-A329 HydrophobicContact CB-CB 3.67Å; P325-R330 HydrophobicContact CB-CG 3.82Å; P325-R330 HydrophobicContact CG-CG 3.64Å; P325-R330 PolarHBondContact O-NH1 2.77Å; P325-I333 HydrophobicContact CB-CD1 3.88Å; P325-I333 HydrophobicContact CG-CD1 4.01Å; P325-Y360 WeakPolarHBondContact CD-O 3.1Å; P325-Y360 VanDerWaalsContact CG-O 3.26Å; P325-Y360 WeakPolarHBondContact CG-O 3.26Å
326	D	96.6	Very high	95.4	Very high	101 Å²	101	38.8 Å²	38.8	54%	0.54	21%	0.206	S	C	.	.			trans	-72.5	176.2	169.6	68.8	18.2	0	0	0	111.7	A328 A329 R330	D326-A328 PolarHBondContact O-N 3.23Å; D326-A328 PolarHBondContact OD1-N 2.85Å; D326-A328 VanDerWaalsContact OD1-N 3.11Å; D326-A329 PolarHBondContact O-N 3.09Å; D326-A329 WeakPolarHBondContact OD1-CB 3.4Å; D326-A329 PolarHBondContact OD1-N 2.83Å; D326-R330 VanDerWaalsContact O-CG 3.27Å; D326-R330 WeakPolarHBondContact O-CG 3.39Å; D326-R330 PolarHBondContact O-N 2.96Å
327	A	97.5	Very high	95.5	Very high	40 Å²	40	42.6 Å²	42.6	33%	0.331	22%	0.224	S	C	.	.	H	α-helix	trans	-59.2	-35.1	-177.5	0	0	0	0	0	113.2	K331	A327-K331 PolarHBondContact O-N 2.94Å
328	A	97	Very high	95.9	Very high	65 Å²	65	38.1 Å²	38.1	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-71.7	-43.6	179.3	0	0	0	0	0	111.4	D326 K331 E332	D326-A328 PolarHBondContact O-N 3.23Å; D326-A328 PolarHBondContact OD1-N 2.85Å; D326-A328 VanDerWaalsContact OD1-N 3.11Å; A328-K331 WeakPolarHBondContact O-CB 3.44Å; A328-K331 PolarHBondContact O-N 2.83Å; A328-E332 PolarHBondContact O-N 3.4Å
329	A	97.1	Very high	95.8	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-43.9	174	0	0	0	0	0	111.1	P325 D326 K331 E332 I333	P325-A329 HydrophobicContact CB-CB 3.67Å; D326-A329 PolarHBondContact O-N 3.09Å; D326-A329 WeakPolarHBondContact OD1-CB 3.4Å; D326-A329 PolarHBondContact OD1-N 2.83Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 2.93Å; A329-E332 PolarHBondContact O-N 3.02Å; A329-E332 VanDerWaalsContact O-N 3.15Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.48Å; A329-I333 PolarHBondContact O-N 2.97Å
330	R	98	Very high	95.6	Very high	22 Å²	22	46.2 Å²	46.2	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-42.2	176.6	-68.6	-169.7	-55.2	-101.4	10	112.4	P325 D326 E332 I333 F334 G354 T357 I365	P325-R330 HydrophobicContact CB-CG 3.82Å; P325-R330 HydrophobicContact CG-CG 3.64Å; P325-R330 PolarHBondContact O-NH1 2.77Å; D326-R330 VanDerWaalsContact O-CG 3.27Å; D326-R330 WeakPolarHBondContact O-CG 3.39Å; D326-R330 PolarHBondContact O-N 2.96Å; R330-E332 VanDerWaalsContact C-N 3.33Å; R330-E332 PolarHBondContact O-N 3.44Å; R330-I333 PolarHBondContact O-N 3.43Å; R330-F334 VanDerWaalsContact O-CD2 3.22Å; R330-F334 WeakPolarHBondContact O-CD2 3.46Å; R330-F334 PolarHBondContact O-N 2.88Å; R330-G354 VanDerWaalsContact CZ-O 3.23Å; R330-G354 PolarHBondContact NE-O 3.43Å; R330-G354 PolarHBondContact NH2-O 3.41Å; R330-T357 WeakPolarHBondContact CD-O 3.28Å; R330-T357 WeakPolarHBondContact CD-OG1 3.39Å; R330-T357 PolarHBondContact NE-O 3.12Å; R330-T357 VanDerWaalsContact NE-O 3.08Å; R330-T357 PolarHBondContact NE-OG1 2.67Å; R330-I365 HydrophobicContact CB-CD1 3.73Å; R330-I365 HydrophobicContact CG-CD1 3.6Å
331	K	97.7	Very high	95.4	Very high	45 Å²	45	48.8 Å²	48.8	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-53.2	-50	172.9	176	-165.8	176.4	-164.7	0	111.2	A327 A328 A329 F334 K335 E347 F350	A327-K331 PolarHBondContact O-N 2.94Å; A328-K331 WeakPolarHBondContact O-CB 3.44Å; A328-K331 PolarHBondContact O-N 2.83Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 2.93Å; K331-F334 WeakPolarHBondContact O-CB 3.27Å; K331-F334 PolarHBondContact O-N 3.3Å; K331-K335 PolarHBondContact O-N 3.24Å; K331-E347 VanDerWaalsContact CE-OE2 3.28Å; K331-E347 WeakPolarHBondContact CE-OE2 3.37Å; K331-E347 IonicContact NZ-OE2 3.69Å; K331-E347 PolarHBondContact NZ-OE2 2.86Å; K331-F350 HydrophobicContact CG-CB 3.79Å
332	E	96.4	Very high	95.2	Very high	77 Å²	77	50.2 Å²	50.2	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-71.5	-34.6	-178	-62.6	-55.8	127.4	0	0	112	A126 A328 A329 R330 F334 K335 L336	A126-E332 HydrophobicContact CB-CB 4.02Å; A328-E332 PolarHBondContact O-N 3.4Å; A329-E332 PolarHBondContact O-N 3.02Å; A329-E332 VanDerWaalsContact O-N 3.15Å; R330-E332 VanDerWaalsContact C-N 3.33Å; R330-E332 PolarHBondContact O-N 3.44Å; E332-F334 VanDerWaalsContact C-N 3.32Å; E332-F334 PolarHBondContact O-N 3.42Å; E332-K335 WeakPolarHBondContact O-CB 3.38Å; E332-K335 PolarHBondContact O-N 2.99Å; E332-K335 IonicContact OE1-NZ 2.87Å; E332-K335 PolarHBondContact OE1-NZ 3.28Å; E332-K335 IonicContact OE2-NZ 2.73Å; E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 VanDerWaalsContact O-CG 3.32Å; E332-L336 WeakPolarHBondContact O-CG 3.05Å; E332-L336 PolarHBondContact O-N 3.47Å
333	I	96.6	Very high	95.2	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-42	172.1	-65.9	166.1	0	0	0	111.1	A126 P325 A329 R330 L336 H337 I365	A126-I333 HydrophobicContact CB-CD1 4.45Å; A126-I333 HydrophobicContact CB-CG1 3.6Å; P325-I333 HydrophobicContact CB-CD1 3.88Å; P325-I333 HydrophobicContact CG-CD1 4.01Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.48Å; A329-I333 PolarHBondContact O-N 2.97Å; R330-I333 PolarHBondContact O-N 3.43Å; I333-L336 PolarHBondContact O-N 3.13Å; I333-H337 PolarHBondContact O-CD2 3.02Å; I333-H337 PolarHBondContact O-N 2.72Å; I333-I365 HydrophobicContact CB-CD1 4.28Å; I333-I365 HydrophobicContact CB-CG2 4.44Å; I333-I365 HydrophobicContact CD1-CD1 4.41Å; I333-I365 HydrophobicContact CG2-CB 3.9Å; I333-I365 HydrophobicContact CG2-CD1 4.12Å; I333-I365 HydrophobicContact CG2-CG2 3.66Å
334	F	97.7	Very high	95.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-46.8	174.4	-87.9	-71.4	0	0	0	111.9	R330 K331 E332 H337 I338 F350 L353 T357 I365 V368 V369 V438 V442	R330-F334 VanDerWaalsContact O-CD2 3.22Å; R330-F334 WeakPolarHBondContact O-CD2 3.46Å; R330-F334 PolarHBondContact O-N 2.88Å; K331-F334 WeakPolarHBondContact O-CB 3.27Å; K331-F334 PolarHBondContact O-N 3.3Å; E332-F334 VanDerWaalsContact C-N 3.32Å; E332-F334 PolarHBondContact O-N 3.42Å; F334-H337 PolarHBondContact O-N 3.41Å; F334-I338 WeakPolarHBondContact O-CB 3.2Å; F334-I338 WeakPolarHBondContact O-CD1 3.43Å; F334-I338 WeakPolarHBondContact O-CG1 3.5Å; F334-I338 PolarHBondContact O-N 3.4Å; F334-F350 HydrophobicContact CB-CD1 3.93Å; F334-F350 HydrophobicContact CB-CE1 4.27Å; F334-L353 HydrophobicContact CD1-CD1 4.12Å; F334-L353 HydrophobicContact CD2-CB 3.78Å; F334-L353 HydrophobicContact CE1-CD1 4.37Å; F334-L353 HydrophobicContact CE2-CB 3.73Å; F334-L353 HydrophobicContact CG-CB 4.26Å; F334-L353 HydrophobicContact CG-CD1 4.25Å; F334-L353 HydrophobicContact CZ-CB 4.16Å; F334-L353 HydrophobicContact CZ-CD2 4.49Å; F334-T357 HydrophobicContact CE2-CG2 3.85Å; F334-T357 HydrophobicContact CZ-CG2 3.76Å; F334-I365 HydrophobicContact CD1-CG2 3.74Å; F334-I365 HydrophobicContact CD2-CG2 3.95Å; F334-I365 HydrophobicContact CE1-CG2 3.73Å; F334-I365 HydrophobicContact CE2-CD1 4.27Å; F334-I365 HydrophobicContact CE2-CG1 4.23Å; F334-I365 HydrophobicContact CE2-CG2 3.94Å; F334-I365 HydrophobicContact CG-CG2 3.84Å; F334-I365 HydrophobicContact CZ-CG1 4.35Å; F334-I365 HydrophobicContact CZ-CG2 3.83Å; F334-V368 HydrophobicContact CE1-CG1 3.99Å; F334-V368 HydrophobicContact CZ-CG1 4.33Å; F334-V369 HydrophobicContact CD1-CG2 3.49Å; F334-V369 VanDerWaalsContact CD1-CG2 3.49Å; F334-V369 HydrophobicContact CE1-CG2 3.84Å; F334-V438 HydrophobicContact CE1-CG1 4Å; F334-V442 HydrophobicContact CZ-CG2 4.48Å
335	K	96.1	Very high	95.3	Very high	45 Å²	45	53.3 Å²	53.3	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-46.1	177.3	-71.5	176.9	173.7	178.3	0	112	K331 E332 H337 I338 S339 E347 F350	K331-K335 PolarHBondContact O-N 3.24Å; E332-K335 WeakPolarHBondContact O-CB 3.38Å; E332-K335 PolarHBondContact O-N 2.99Å; E332-K335 IonicContact OE1-NZ 2.87Å; E332-K335 PolarHBondContact OE1-NZ 3.28Å; E332-K335 IonicContact OE2-NZ 2.73Å; K335-H337 VanDerWaalsContact C-N 3.35Å; K335-H337 PolarHBondContact O-N 3.26Å; K335-I338 PolarHBondContact O-N 2.86Å; K335-S339 PolarHBondContact O-N 3.2Å; K335-E347 WeakPolarHBondContact CE-OE1 3.33Å; K335-E347 WeakPolarHBondContact CE-OE2 3.3Å; K335-E347 IonicContact NZ-OE1 3.98Å; K335-E347 PolarHBondContact NZ-OE1 3.04Å; K335-E347 IonicContact NZ-OE2 3.88Å; K335-E347 PolarHBondContact NZ-OE2 3.32Å; K335-F350 HydrophobicContact CB-CE1 4.33Å; K335-F350 HydrophobicContact CD-CG 4.49Å; K335-F350 HydrophobicContact CG-CB 4.37Å; K335-F350 HydrophobicContact CG-CD1 3.54Å; K335-F350 HydrophobicContact CG-CD2 3.97Å; K335-F350 HydrophobicContact CG-CE1 3.65Å; K335-F350 HydrophobicContact CG-CE2 4.09Å; K335-F350 HydrophobicContact CG-CG 3.71Å; K335-F350 HydrophobicContact CG-CZ 3.93Å
336	L	93.2	Very high	95.3	Very high	81 Å²	81	55 Å²	55	42%	0.424	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-43.5	179.5	-73.3	171.7	0	0	0	111.8	A126 E332 I333 S339	A126-L336 HydrophobicContact CB-CD1 4.06Å; E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 VanDerWaalsContact O-CG 3.32Å; E332-L336 WeakPolarHBondContact O-CG 3.05Å; E332-L336 PolarHBondContact O-N 3.47Å; I333-L336 PolarHBondContact O-N 3.13Å; L336-S339 WeakPolarHBondContact O-CB 3.27Å
337	H	94.5	Very high	95.3	Very high	81 Å²	81	55.1 Å²	55.1	38%	0.375	32%	0.315	S	S	.	.	H	α-helix	trans	-77.1	-28.2	-179	-79.7	-54.3	0	0	0	114.4	I333 F334 K335 S366 V369	I333-H337 PolarHBondContact O-CD2 3.02Å; I333-H337 PolarHBondContact O-N 2.72Å; F334-H337 PolarHBondContact O-N 3.41Å; K335-H337 VanDerWaalsContact C-N 3.35Å; K335-H337 PolarHBondContact O-N 3.26Å; H337-S366 PolarHBondContact CE1-OG 3.4Å; H337-V369 HydrophobicContact CB-CB 3.99Å; H337-V369 HydrophobicContact CB-CG1 3.79Å; H337-V369 HydrophobicContact CB-CG2 4.01Å
338	I	95.3	Very high	95.3	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-75.1	-38.7	172.6	-73.1	162.7	0	0	0	110.2	F334 K335 N340 T341 H343 L345 F350 V369	F334-I338 WeakPolarHBondContact O-CB 3.2Å; F334-I338 WeakPolarHBondContact O-CD1 3.43Å; F334-I338 WeakPolarHBondContact O-CG1 3.5Å; F334-I338 PolarHBondContact O-N 3.4Å; K335-I338 PolarHBondContact O-N 2.86Å; I338-N340 PolarHBondContact O-N 3.46Å; I338-T341 VanDerWaalsContact O-CB 3.26Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.11Å; I338-T341 VanDerWaalsContact O-N 3.16Å; I338-T341 PolarHBondContact O-OG1 3.42Å; I338-H343 HydrophobicContact CG2-CB 4.31Å; I338-H343 WeakPolarHBondContact CG2-CD2 3.44Å; I338-L345 HydrophobicContact CD1-CD1 3.37Å; I338-F350 HydrophobicContact CD1-CE1 3.62Å; I338-F350 HydrophobicContact CD1-CZ 4.19Å; I338-V369 HydrophobicContact CG1-CG1 3.7Å; I338-V369 HydrophobicContact CG1-CG2 4.31Å
339	S	90.2	Very high	95.4	Very high	71 Å²	71	62.2 Å²	62.2	50%	0.497	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-133.8	174.6	-170.4	0	0	0	0	111.7	K335 L336 T341	K335-S339 PolarHBondContact O-N 3.2Å; L336-S339 WeakPolarHBondContact O-CB 3.27Å; S339-T341 VanDerWaalsContact C-N 3.25Å; S339-T341 PolarHBondContact O-N 3.35Å
340	N	89.4	Confident	95.4	Very high	158 Å²	158	62.4 Å²	62.4	85%	0.845	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	9.1	-177.9	-60.6	-29.4	0	0	0	113.6	I338	I338-N340 PolarHBondContact O-N 3.46Å
341	T	90.7	Very high	95.4	Very high	56 Å²	56	67.3 Å²	67.3	34%	0.344	34%	0.343	S	S	.	.	S	Bend	trans	-67.4	129.5	177.7	-48.9	0	0	0	0	109.6	I338 S339 H343 L373	I338-T341 VanDerWaalsContact O-CB 3.26Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.11Å; I338-T341 VanDerWaalsContact O-N 3.16Å; I338-T341 PolarHBondContact O-OG1 3.42Å; S339-T341 VanDerWaalsContact C-N 3.25Å; S339-T341 PolarHBondContact O-N 3.35Å; T341-H343 PolarHBondContact O-CD2 3.5Å; T341-H343 PolarHBondContact O-N 2.8Å; T341-H343 VanDerWaalsContact O-N 3.12Å; T341-L373 HydrophobicContact CG2-CD2 3.78Å
342	P	91.1	Very high	95.4	Very high	85 Å²	85	68.3 Å²	68.3	55%	0.552	35%	0.351	S	S	*	.			trans	-54.6	119.9	178.4	-28.5	36.3	0	0	0	113	V432 V433	P342-V432 HydrophobicContact CB-CG1 3.93Å; P342-V433 PolarHBondContact O-N 3.1Å
343	H	96.2	Very high	95.5	Very high	65 Å²	65	64.7 Å²	64.7	30%	0.301	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-143.2	161	-178.7	67.5	75.2	0	0	0	111.8	I338 T341 L345 F350 V433	I338-H343 HydrophobicContact CG2-CB 4.31Å; I338-H343 WeakPolarHBondContact CG2-CD2 3.44Å; T341-H343 PolarHBondContact O-CD2 3.5Å; T341-H343 PolarHBondContact O-N 2.8Å; T341-H343 VanDerWaalsContact O-N 3.12Å; H343-L345 HydrophobicContact CB-CD1 4.49Å; H343-L345 HydrophobicContact CB-CG 4.42Å; H343-L345 PolarHBondContact CE1-O 3Å; H343-L345 PolarHBondContact ND1-N 3.4Å; H343-L345 VanDerWaalsContact ND1-N 3.16Å; H343-L345 PolarHBondContact ND1-O 3.45Å; H343-F350 AromaticContact CE1-CZ 3.91Å; H343-V433 CarbonylContact C-O 3.57Å; H343-V433 VanDerWaalsContact CA-O 3.28Å; H343-V433 WeakPolarHBondContact CA-O 3.37Å; H343-V433 HydrophobicContact CB-CB 4.34Å; H343-V433 WeakPolarHBondContact CB-O 3.5Å
344	S	96.9	Very high	95.6	Very high	71 Å²	71	63.8 Å²	63.8	50%	0.497	33%	0.329	S	S	.	.			trans	-102.3	8.5	175.8	79	0	0	0	0	113.9	V433 C434	S344-V433 PolarHBondContact N-O 3.26Å; S344-C434 WeakPolarHBondContact OG-CA 3.46Å; S344-C434 VanDerWaalsContact OG-CB 3.32Å; S344-C434 WeakPolarHBondContact OG-CB 3.27Å
345	L	97	Very high	95.6	Very high	13 Å²	13	68.7 Å²	68.7	7%	0.068	35%	0.352	C	S	.	.			trans	-71.8	132.4	-177.1	-56.3	168	0	0	0	112.3	I338 H343 D349 F350 M435 V438	I338-L345 HydrophobicContact CD1-CD1 3.37Å; H343-L345 HydrophobicContact CB-CD1 4.49Å; H343-L345 HydrophobicContact CB-CG 4.42Å; H343-L345 PolarHBondContact CE1-O 3Å; H343-L345 PolarHBondContact ND1-N 3.4Å; H343-L345 VanDerWaalsContact ND1-N 3.16Å; H343-L345 PolarHBondContact ND1-O 3.45Å; L345-D349 HydrophobicContact CB-CB 4.35Å; L345-D349 HydrophobicContact CD2-CB 4.15Å; L345-F350 HydrophobicContact CB-CE2 3.86Å; L345-F350 HydrophobicContact CB-CZ 3.9Å; L345-F350 HydrophobicContact CD1-CE1 4.11Å; L345-F350 HydrophobicContact CD1-CZ 4.03Å; L345-M435 VanDerWaalsContact CD2-CA 3.46Å; L345-M435 HydrophobicContact CD2-CB 3.81Å; L345-M435 HydrophobicContact CD2-SD 4.04Å; L345-V438 HydrophobicContact CD1-CG2 4.08Å; L345-V438 HydrophobicContact CD2-CG2 4.32Å
346	S	96.9	Very high	95.6	Very high	52 Å²	52	72 Å²	72	36%	0.364	37%	0.367	S	S	.	.			trans	-93.9	166.7	174	71.5	0	0	0	0	112.4	R348 D349 F350	S346-R348 PolarHBondContact O-N 3.35Å; S346-R348 VanDerWaalsContact O-N 3.14Å; S346-R348 PolarHBondContact OG-N 3.48Å; S346-D349 WeakPolarHBondContact CB-OD2 3.2Å; S346-D349 PolarHBondContact N-OD2 2.88Å; S346-D349 WeakPolarHBondContact O-CB 3.35Å; S346-D349 PolarHBondContact O-N 2.77Å; S346-D349 VanDerWaalsContact OG-CG 3.27Å; S346-D349 PolarHBondContact OG-N 2.71Å; S346-D349 PolarHBondContact OG-OD2 3.32Å; S346-F350 WeakPolarHBondContact O-CD2 3.3Å; S346-F350 PolarHBondContact O-N 3.02Å; S346-F350 VanDerWaalsContact O-N 3.12Å
347	E	96.7	Very high	95.8	Very high	104 Å²	104	68.2 Å²	68.2	49%	0.486	35%	0.347	S	S	.	.	H	α-helix	trans	-54.6	-31.8	172.3	-80.5	-61.5	132.8	0	0	113.6	K331 K335 K351	K331-E347 VanDerWaalsContact CE-OE2 3.28Å; K331-E347 WeakPolarHBondContact CE-OE2 3.37Å; K331-E347 IonicContact NZ-OE2 3.69Å; K331-E347 PolarHBondContact NZ-OE2 2.86Å; K335-E347 WeakPolarHBondContact CE-OE1 3.33Å; K335-E347 WeakPolarHBondContact CE-OE2 3.3Å; K335-E347 IonicContact NZ-OE1 3.98Å; K335-E347 PolarHBondContact NZ-OE1 3.04Å; K335-E347 IonicContact NZ-OE2 3.88Å; K335-E347 PolarHBondContact NZ-OE2 3.32Å; E347-K351 PolarHBondContact O-N 3.43Å
348	R	97.6	Very high	95.9	Very high	215 Å²	215	71.9 Å²	71.9	81%	0.811	36%	0.364	S	S	*	.	H	α-helix	trans	-71.1	-37.4	176.4	-64.9	-178.6	-175.4	168.3	1.7	111.4	S346 K351 L352	S346-R348 PolarHBondContact O-N 3.35Å; S346-R348 VanDerWaalsContact O-N 3.14Å; S346-R348 PolarHBondContact OG-N 3.48Å; R348-K351 PolarHBondContact O-N 3.21Å; R348-L352 PolarHBondContact O-N 3.04Å
349	D	97.9	Very high	96	Very high	39 Å²	39	73 Å²	73	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-44.8	176.5	-60.5	-49.8	0	0	0	110.8	L345 S346 K351 L352 L353 M435	L345-D349 HydrophobicContact CB-CB 4.35Å; L345-D349 HydrophobicContact CD2-CB 4.15Å; S346-D349 WeakPolarHBondContact CB-OD2 3.2Å; S346-D349 PolarHBondContact N-OD2 2.88Å; S346-D349 WeakPolarHBondContact O-CB 3.35Å; S346-D349 PolarHBondContact O-N 2.77Å; S346-D349 VanDerWaalsContact OG-CG 3.27Å; S346-D349 PolarHBondContact OG-N 2.71Å; S346-D349 PolarHBondContact OG-OD2 3.32Å; D349-K351 VanDerWaalsContact C-N 3.31Å; D349-K351 PolarHBondContact O-N 3.16Å; D349-L352 PolarHBondContact O-N 3.29Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.22Å; D349-M435 HydrophobicContact CB-CE 4.36Å; D349-M435 HydrophobicContact CB-CG 4.47Å; D349-M435 HydrophobicContact CB-SD 3.99Å
350	F	98.1	Very high	96.3	Very high	9 Å²	9	70.4 Å²	70.4	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-40.6	175.3	-71.2	-70.2	0	0	0	112.5	K331 F334 K335 I338 H343 L345 S346 L353 G354	K331-F350 HydrophobicContact CG-CB 3.79Å; F334-F350 HydrophobicContact CB-CD1 3.93Å; F334-F350 HydrophobicContact CB-CE1 4.27Å; K335-F350 HydrophobicContact CB-CE1 4.33Å; K335-F350 HydrophobicContact CD-CG 4.49Å; K335-F350 HydrophobicContact CG-CB 4.37Å; K335-F350 HydrophobicContact CG-CD1 3.54Å; K335-F350 HydrophobicContact CG-CD2 3.97Å; K335-F350 HydrophobicContact CG-CE1 3.65Å; K335-F350 HydrophobicContact CG-CE2 4.09Å; K335-F350 HydrophobicContact CG-CG 3.71Å; K335-F350 HydrophobicContact CG-CZ 3.93Å; I338-F350 HydrophobicContact CD1-CE1 3.62Å; I338-F350 HydrophobicContact CD1-CZ 4.19Å; H343-F350 AromaticContact CE1-CZ 3.91Å; L345-F350 HydrophobicContact CB-CE2 3.86Å; L345-F350 HydrophobicContact CB-CZ 3.9Å; L345-F350 HydrophobicContact CD1-CE1 4.11Å; L345-F350 HydrophobicContact CD1-CZ 4.03Å; S346-F350 WeakPolarHBondContact O-CD2 3.3Å; S346-F350 PolarHBondContact O-N 3.02Å; S346-F350 VanDerWaalsContact O-N 3.12Å; F350-L353 PolarHBondContact O-N 2.99Å; F350-G354 PolarHBondContact O-N 2.71Å
351	K	98	Very high	96.7	Very high	125 Å²	125	63 Å²	63	54%	0.543	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-47.4	175	-175.9	-178.2	174.1	-173.3	0	111	E347 R348 D349 L353 G354 E355	E347-K351 PolarHBondContact O-N 3.43Å; R348-K351 PolarHBondContact O-N 3.21Å; D349-K351 VanDerWaalsContact C-N 3.31Å; D349-K351 PolarHBondContact O-N 3.16Å; K351-L353 VanDerWaalsContact C-N 3.33Å; K351-L353 PolarHBondContact O-N 3Å; K351-G354 PolarHBondContact O-N 2.76Å; K351-E355 WeakPolarHBondContact CE-OE1 3.32Å; K351-E355 WeakPolarHBondContact O-CG 3.3Å; K351-E355 PolarHBondContact O-N 3.11Å
352	L	97.9	Very high	97	Very high	67 Å²	67	61.1 Å²	61.1	35%	0.351	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-37.9	178.2	-177.9	60.8	0	0	0	112.3	R348 D349 E355 K356 M435	R348-L352 PolarHBondContact O-N 3.04Å; D349-L352 PolarHBondContact O-N 3.29Å; L352-E355 PolarHBondContact O-N 3.42Å; L352-K356 HydrophobicContact CD1-CD 4.39Å; L352-K356 HydrophobicContact CD1-CG 4.33Å; L352-K356 HydrophobicContact CG-CD 4.26Å; L352-K356 WeakPolarHBondContact O-CB 3.44Å; L352-K356 WeakPolarHBondContact O-CG 3.43Å; L352-K356 PolarHBondContact O-N 3.43Å; L352-M435 HydrophobicContact CB-CE 4.19Å; L352-M435 HydrophobicContact CD2-CE 3.73Å; L352-M435 HydrophobicContact CG-CE 4.05Å
353	L	98.1	Very high	97.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-44.3	174	-72	172.9	0	0	0	111.5	F334 D349 F350 K351 E355 K356 T357 M435 V438 L439 V442	F334-L353 HydrophobicContact CD1-CD1 4.12Å; F334-L353 HydrophobicContact CD2-CB 3.78Å; F334-L353 HydrophobicContact CE1-CD1 4.37Å; F334-L353 HydrophobicContact CE2-CB 3.73Å; F334-L353 HydrophobicContact CG-CB 4.26Å; F334-L353 HydrophobicContact CG-CD1 4.25Å; F334-L353 HydrophobicContact CZ-CB 4.16Å; F334-L353 HydrophobicContact CZ-CD2 4.49Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.22Å; F350-L353 PolarHBondContact O-N 2.99Å; K351-L353 VanDerWaalsContact C-N 3.33Å; K351-L353 PolarHBondContact O-N 3Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 2.67Å; L353-K356 PolarHBondContact O-N 2.92Å; L353-T357 PolarHBondContact O-N 3.39Å; L353-T357 PolarHBondContact O-OG1 3.11Å; L353-M435 HydrophobicContact CD1-SD 4.2Å; L353-M435 HydrophobicContact CD2-CE 3.8Å; L353-M435 HydrophobicContact CD2-SD 3.87Å; L353-M435 HydrophobicContact CG-CE 3.84Å; L353-M435 HydrophobicContact CG-SD 3.93Å; L353-V438 HydrophobicContact CD1-CB 4.43Å; L353-V438 HydrophobicContact CD1-CG1 3.81Å; L353-V438 HydrophobicContact CD2-CB 4.18Å; L353-V438 HydrophobicContact CD2-CG1 3.51Å; L353-V438 HydrophobicContact CG-CG1 4.32Å; L353-L439 HydrophobicContact CD2-CD2 4.32Å; L353-V442 HydrophobicContact CD2-CG2 4.44Å
354	G	97.8	Very high	97.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-40.5	174.7	0	0	0	0	0	112.7	R330 F350 K351	R330-G354 VanDerWaalsContact CZ-O 3.23Å; R330-G354 PolarHBondContact NE-O 3.43Å; R330-G354 PolarHBondContact NH2-O 3.41Å; F350-G354 PolarHBondContact O-N 2.71Å; K351-G354 PolarHBondContact O-N 2.76Å
355	E	97.7	Very high	97.3	Very high	103 Å²	103	52.9 Å²	52.9	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-68.6	-38.6	176.1	-69.7	168.6	-177.1	0	0	112.5	K351 L352 L353 T357	K351-E355 WeakPolarHBondContact CE-OE1 3.32Å; K351-E355 WeakPolarHBondContact O-CG 3.3Å; K351-E355 PolarHBondContact O-N 3.11Å; L352-E355 PolarHBondContact O-N 3.42Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 2.67Å; E355-T357 PolarHBondContact O-N 3.21Å
356	K	97.1	Very high	97.3	Very high	116 Å²	116	53.5 Å²	53.5	50%	0.504	27%	0.267	S	S	.	.	H	α-helix	trans	-75.9	-17.4	-177	-79.4	-174.6	175	-63.3	0	115.4	L352 L353 L439	L352-K356 HydrophobicContact CD1-CD 4.39Å; L352-K356 HydrophobicContact CD1-CG 4.33Å; L352-K356 HydrophobicContact CG-CD 4.26Å; L352-K356 WeakPolarHBondContact O-CB 3.44Å; L352-K356 WeakPolarHBondContact O-CG 3.43Å; L352-K356 PolarHBondContact O-N 3.43Å; L353-K356 PolarHBondContact O-N 2.92Å; K356-L439 HydrophobicContact CD-CD2 3.6Å
357	T	97.6	Very high	97.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	38.7	-175.8	55.6	0	0	0	0	113.3	R330 F334 L353 E355 G359 Y360 V442	R330-T357 WeakPolarHBondContact CD-O 3.28Å; R330-T357 WeakPolarHBondContact CD-OG1 3.39Å; R330-T357 PolarHBondContact NE-O 3.12Å; R330-T357 VanDerWaalsContact NE-O 3.08Å; R330-T357 PolarHBondContact NE-OG1 2.67Å; F334-T357 HydrophobicContact CE2-CG2 3.85Å; F334-T357 HydrophobicContact CZ-CG2 3.76Å; L353-T357 PolarHBondContact O-N 3.39Å; L353-T357 PolarHBondContact O-OG1 3.11Å; E355-T357 PolarHBondContact O-N 3.21Å; T357-G359 PolarHBondContact O-N 2.88Å; T357-Y360 HydrophobicContact CG2-CD1 4.26Å; T357-Y360 HydrophobicContact CG2-CD2 4.44Å; T357-Y360 HydrophobicContact CG2-CE1 4.41Å; T357-Y360 HydrophobicContact CG2-CG 4.3Å; T357-Y360 WeakPolarHBondContact O-CB 3.13Å; T357-Y360 WeakPolarHBondContact O-CD2 3.46Å; T357-Y360 PolarHBondContact O-N 3.16Å; T357-Y360 VanDerWaalsContact O-N 3.12Å; T357-V442 HydrophobicContact CG2-CG1 4.12Å; T357-V442 HydrophobicContact CG2-CG2 4.08Å
358	E	96.3	Very high	97.4	Very high	159 Å²	159	50.6 Å²	50.6	74%	0.743	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.2	172.4	-171.3	173.5	-173.5	0	0	111.6	Y360	E358-Y360 VanDerWaalsContact C-N 3.3Å; E358-Y360 PolarHBondContact O-N 3.16Å
359	G	95.8	Very high	97.4	Very high	26 Å²	26	40.6 Å²	40.6	27%	0.268	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-8	-176.8	0	0	0	0	0	115.4	T357	T357-G359 PolarHBondContact O-N 2.88Å
360	Y	97.8	Very high	97.3	Very high	16 Å²	16	46.7 Å²	46.7	6%	0.063	23%	0.233	C	C	.	.			trans	-76	136.4	-179.6	-76.1	-126.9	0	0	0	111.1	P325 T357 E358 D364 I365 V368 V442 S445 P447	P325-Y360 WeakPolarHBondContact CD-O 3.1Å; P325-Y360 VanDerWaalsContact CG-O 3.26Å; P325-Y360 WeakPolarHBondContact CG-O 3.26Å; T357-Y360 HydrophobicContact CG2-CD1 4.26Å; T357-Y360 HydrophobicContact CG2-CD2 4.44Å; T357-Y360 HydrophobicContact CG2-CE1 4.41Å; T357-Y360 HydrophobicContact CG2-CG 4.3Å; T357-Y360 WeakPolarHBondContact O-CB 3.13Å; T357-Y360 WeakPolarHBondContact O-CD2 3.46Å; T357-Y360 PolarHBondContact O-N 3.16Å; T357-Y360 VanDerWaalsContact O-N 3.12Å; E358-Y360 VanDerWaalsContact C-N 3.3Å; E358-Y360 PolarHBondContact O-N 3.16Å; Y360-D364 HydrophobicContact CD1-CB 3.52Å; Y360-D364 HydrophobicContact CE1-CB 4.31Å; Y360-D364 HydrophobicContact CG-CB 4.03Å; Y360-I365 HydrophobicContact CD1-CG1 4.44Å; Y360-V368 HydrophobicContact CD1-CG2 4.43Å; Y360-V368 HydrophobicContact CE1-CG2 3.91Å; Y360-V442 PolarHBondContact OH-O 3.16Å; Y360-S445 PolarHBondContact OH-O 2.96Å; Y360-P447 HydrophobicContact CD2-CB 3.96Å; Y360-P447 HydrophobicContact CD2-CG 4.47Å; Y360-P447 HydrophobicContact CE2-CB 4.12Å; Y360-P447 HydrophobicContact CE2-CG 4.24Å
361	S	97.3	Very high	97.3	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	24%	0.241	C	C	.	.			trans	-78.2	169.6	165.8	70.5	0	0	0	0	111.4	A363 D364 I365	S361-A363 PolarHBondContact O-N 3.3Å; S361-A363 PolarHBondContact OG-N 3.37Å; S361-D364 WeakPolarHBondContact CB-OD2 3.39Å; S361-D364 PolarHBondContact N-OD2 3.17Å; S361-D364 PolarHBondContact O-N 2.85Å; S361-D364 PolarHBondContact OG-N 3.48Å; S361-D364 PolarHBondContact OG-OD2 2.94Å; S361-I365 PolarHBondContact O-N 3.37Å; S361-I365 VanDerWaalsContact O-N 3.14Å
362	G	96.5	Very high	97.2	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-35.1	172.7	0	0	0	0	0	112.4	G201 I365 S366	G201-G362 WeakPolarHBondContact O-CA 3.44Å; G201-G362 PolarHBondContact O-N 3.16Å; G362-I365 PolarHBondContact O-N 3.3Å; G362-S366 WeakPolarHBondContact O-CB 3.47Å; G362-S366 PolarHBondContact O-N 3.38Å
363	A	96.3	Very high	97.2	Very high	45 Å²	45	41.6 Å²	41.6	37%	0.372	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-41.9	174.5	0	0	0	0	0	112.5	G201 S361 I365 S366 I367	G201-A363 PolarHBondContact O-N 3.4Å; G201-A363 VanDerWaalsContact O-N 3.14Å; S361-A363 PolarHBondContact O-N 3.3Å; S361-A363 PolarHBondContact OG-N 3.37Å; A363-I365 VanDerWaalsContact C-N 3.34Å; A363-I365 PolarHBondContact O-N 2.9Å; A363-S366 WeakPolarHBondContact O-CB 3.49Å; A363-S366 PolarHBondContact O-N 3.32Å; A363-I367 WeakPolarHBondContact O-CG1 3.37Å; A363-I367 PolarHBondContact O-N 3.04Å
364	D	97.7	Very high	97.1	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177	-60.4	-49.9	0	0	0	110.9	Y360 S361 I367 V368 T448	Y360-D364 HydrophobicContact CD1-CB 3.52Å; Y360-D364 HydrophobicContact CE1-CB 4.31Å; Y360-D364 HydrophobicContact CG-CB 4.03Å; S361-D364 WeakPolarHBondContact CB-OD2 3.39Å; S361-D364 PolarHBondContact N-OD2 3.17Å; S361-D364 PolarHBondContact O-N 2.85Å; S361-D364 PolarHBondContact OG-N 3.48Å; S361-D364 PolarHBondContact OG-OD2 2.94Å; D364-I367 PolarHBondContact O-N 3.38Å; D364-V368 WeakPolarHBondContact O-CG2 3.43Å; D364-V368 PolarHBondContact O-N 2.93Å; D364-T448 WeakPolarHBondContact OD1-CB 3.2Å; D364-T448 PolarHBondContact OD1-N 2.97Å; D364-T448 PolarHBondContact OD1-OG1 3Å; D364-T448 PolarHBondContact OD2-N 2.99Å
365	I	98	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-41.3	176.7	-64.5	170.9	0	0	0	111	R330 I333 F334 Y360 S361 G362 A363 I367 V368 V369	R330-I365 HydrophobicContact CB-CD1 3.73Å; R330-I365 HydrophobicContact CG-CD1 3.6Å; I333-I365 HydrophobicContact CB-CD1 4.28Å; I333-I365 HydrophobicContact CB-CG2 4.44Å; I333-I365 HydrophobicContact CD1-CD1 4.41Å; I333-I365 HydrophobicContact CG2-CB 3.9Å; I333-I365 HydrophobicContact CG2-CD1 4.12Å; I333-I365 HydrophobicContact CG2-CG2 3.66Å; F334-I365 HydrophobicContact CD1-CG2 3.74Å; F334-I365 HydrophobicContact CD2-CG2 3.95Å; F334-I365 HydrophobicContact CE1-CG2 3.73Å; F334-I365 HydrophobicContact CE2-CD1 4.27Å; F334-I365 HydrophobicContact CE2-CG1 4.23Å; F334-I365 HydrophobicContact CE2-CG2 3.94Å; F334-I365 HydrophobicContact CG-CG2 3.84Å; F334-I365 HydrophobicContact CZ-CG1 4.35Å; F334-I365 HydrophobicContact CZ-CG2 3.83Å; Y360-I365 HydrophobicContact CD1-CG1 4.44Å; S361-I365 PolarHBondContact O-N 3.37Å; S361-I365 VanDerWaalsContact O-N 3.14Å; G362-I365 PolarHBondContact O-N 3.3Å; A363-I365 VanDerWaalsContact C-N 3.34Å; A363-I365 PolarHBondContact O-N 2.9Å; I365-I367 VanDerWaalsContact C-N 3.27Å; I365-I367 PolarHBondContact O-N 2.96Å; I365-V368 PolarHBondContact O-N 3.15Å; I365-V369 HydrophobicContact CG2-CG2 4.21Å; I365-V369 WeakPolarHBondContact O-CG2 3.43Å; I365-V369 PolarHBondContact O-N 3.47Å
366	S	96.4	Very high	96.9	Very high	26 Å²	26	41.6 Å²	41.6	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-41	175.9	-169.2	0	0	0	0	112.1	H337 G362 A363 R370	H337-S366 PolarHBondContact CE1-OG 3.4Å; G362-S366 WeakPolarHBondContact O-CB 3.47Å; G362-S366 PolarHBondContact O-N 3.38Å; A363-S366 WeakPolarHBondContact O-CB 3.49Å; A363-S366 PolarHBondContact O-N 3.32Å; S366-R370 VanDerWaalsContact O-CB 3.3Å; S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 PolarHBondContact O-N 3.22Å
367	I	96.9	Very high	96.9	Very high	94 Å²	94	39.1 Å²	39.1	48%	0.482	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-46	176.1	-67.4	166.4	0	0	0	110.8	A363 D364 I365 V369 R370 D371	A363-I367 WeakPolarHBondContact O-CG1 3.37Å; A363-I367 PolarHBondContact O-N 3.04Å; D364-I367 PolarHBondContact O-N 3.38Å; I365-I367 VanDerWaalsContact C-N 3.27Å; I365-I367 PolarHBondContact O-N 2.96Å; I367-V369 PolarHBondContact O-N 3.3Å; I367-R370 PolarHBondContact O-N 3.02Å; I367-D371 PolarHBondContact O-N 3.4Å
368	V	97.9	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-47.8	176.5	167.5	0	0	0	0	111.1	F334 Y360 D364 I365 D371 A372 V438 S441 V442	F334-V368 HydrophobicContact CE1-CG1 3.99Å; F334-V368 HydrophobicContact CZ-CG1 4.33Å; Y360-V368 HydrophobicContact CD1-CG2 4.43Å; Y360-V368 HydrophobicContact CE1-CG2 3.91Å; D364-V368 WeakPolarHBondContact O-CG2 3.43Å; D364-V368 PolarHBondContact O-N 2.93Å; I365-V368 PolarHBondContact O-N 3.15Å; V368-D371 PolarHBondContact O-N 3.35Å; V368-A372 WeakPolarHBondContact O-CB 3.33Å; V368-A372 PolarHBondContact O-N 3.19Å; V368-V438 HydrophobicContact CG1-CG1 4.32Å; V368-S441 WeakPolarHBondContact O-CB 3.44Å; V368-V442 HydrophobicContact CG1-CG2 3.56Å
369	V	97.7	Very high	96.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-45	179.2	172.8	0	0	0	0	110.3	F334 H337 I338 I365 I367 D371 A372 L373	F334-V369 HydrophobicContact CD1-CG2 3.49Å; F334-V369 VanDerWaalsContact CD1-CG2 3.49Å; F334-V369 HydrophobicContact CE1-CG2 3.84Å; H337-V369 HydrophobicContact CB-CB 3.99Å; H337-V369 HydrophobicContact CB-CG1 3.79Å; H337-V369 HydrophobicContact CB-CG2 4.01Å; I338-V369 HydrophobicContact CG1-CG1 3.7Å; I338-V369 HydrophobicContact CG1-CG2 4.31Å; I365-V369 HydrophobicContact CG2-CG2 4.21Å; I365-V369 WeakPolarHBondContact O-CG2 3.43Å; I365-V369 PolarHBondContact O-N 3.47Å; I367-V369 PolarHBondContact O-N 3.3Å; V369-D371 VanDerWaalsContact C-N 3.29Å; V369-D371 PolarHBondContact O-N 2.99Å; V369-A372 WeakPolarHBondContact O-CB 3.44Å; V369-A372 PolarHBondContact O-N 2.81Å; V369-A372 VanDerWaalsContact O-N 3.09Å; V369-L373 HydrophobicContact CG1-CD1 4.04Å; V369-L373 HydrophobicContact CG1-CG 4.01Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.31Å
370	R	96.6	Very high	96.8	Very high	168 Å²	168	38.7 Å²	38.7	63%	0.634	20%	0.195	S	C	*	.	H	α-helix	trans	-57.4	-42	177	-171.9	-176.3	-59.4	176	2.5	112.1	S366 I367 M374	S366-R370 VanDerWaalsContact O-CB 3.3Å; S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 PolarHBondContact O-N 3.22Å; I367-R370 PolarHBondContact O-N 3.02Å; R370-M374 WeakPolarHBondContact O-CG 3.35Å; R370-M374 PolarHBondContact O-N 2.9Å
371	D	97	Very high	96.8	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-41.2	175.4	-171.2	56.5	0	0	0	112.1	I367 V368 V369 M374 Q375 R378 S441	I367-D371 PolarHBondContact O-N 3.4Å; V368-D371 PolarHBondContact O-N 3.35Å; V369-D371 VanDerWaalsContact C-N 3.29Å; V369-D371 PolarHBondContact O-N 2.99Å; D371-M374 PolarHBondContact O-N 3.46Å; D371-Q375 PolarHBondContact O-N 3.41Å; D371-R378 IonicContact OD1-CZ 3.2Å; D371-R378 IonicContact OD1-NH1 2.73Å; D371-R378 PolarHBondContact OD1-NH1 3.48Å; D371-R378 IonicContact OD1-NH2 3.51Å; D371-R378 PolarHBondContact OD1-NH2 3.01Å; D371-R378 IonicContact OD2-NH1 3.95Å; D371-S441 PolarHBondContact OD2-OG 2.86Å
372	A	97.5	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-41.4	177.7	0	0	0	0	0	112.5	V368 V369 M374 Q375 V433 V438 S441	V368-A372 WeakPolarHBondContact O-CB 3.33Å; V368-A372 PolarHBondContact O-N 3.19Å; V369-A372 WeakPolarHBondContact O-CB 3.44Å; V369-A372 PolarHBondContact O-N 2.81Å; V369-A372 VanDerWaalsContact O-N 3.09Å; A372-M374 PolarHBondContact O-N 2.99Å; A372-Q375 VanDerWaalsContact O-CB 3.3Å; A372-Q375 WeakPolarHBondContact O-CB 3.39Å; A372-Q375 WeakPolarHBondContact O-CG 3.35Å; A372-Q375 PolarHBondContact O-N 3.08Å; A372-V433 HydrophobicContact CB-CG1 4.35Å; A372-V438 HydrophobicContact CB-CB 4.35Å; A372-V438 HydrophobicContact CB-CG2 3.93Å; A372-S441 WeakPolarHBondContact CA-OG 3.16Å; A372-S441 PolarHBondContact N-OG 2.79Å
373	L	96.7	Very high	96.8	Very high	50 Å²	50	48.7 Å²	48.7	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-23.1	175.9	-68.1	-176.1	0	0	0	112.4	T341 V369 V433	T341-L373 HydrophobicContact CG2-CD2 3.78Å; V369-L373 HydrophobicContact CG1-CD1 4.04Å; V369-L373 HydrophobicContact CG1-CG 4.01Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.31Å; L373-V433 HydrophobicContact CD2-CG2 3.88Å
374	M	96.4	Very high	96.8	Very high	85 Å²	85	50.7 Å²	50.7	42%	0.419	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.4	174.6	-68.9	-57	-59.2	0	0	113.8	R370 D371 A372 V377 R378	R370-M374 WeakPolarHBondContact O-CG 3.35Å; R370-M374 PolarHBondContact O-N 2.9Å; D371-M374 PolarHBondContact O-N 3.46Å; A372-M374 PolarHBondContact O-N 2.99Å; M374-V377 HydrophobicContact CE-CB 3.93Å; M374-V377 HydrophobicContact CE-CG1 3.98Å; M374-V377 HydrophobicContact CE-CG2 4.08Å; M374-V377 PolarHBondContact O-N 3.38Å; M374-V377 HydrophobicContact SD-CG2 4.42Å; M374-R378 WeakPolarHBondContact O-CG 3.44Å; M374-R378 PolarHBondContact O-N 3.23Å
375	Q	96.2	Very high	96.8	Very high	9 Å²	9	52.4 Å²	52.4	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-43.2	-179.5	-62.8	-70	-27.8	0	0	112.9	D371 A372 V377 R378 K379 D437	D371-Q375 PolarHBondContact O-N 3.41Å; A372-Q375 VanDerWaalsContact O-CB 3.3Å; A372-Q375 WeakPolarHBondContact O-CB 3.39Å; A372-Q375 WeakPolarHBondContact O-CG 3.35Å; A372-Q375 PolarHBondContact O-N 3.08Å; Q375-V377 VanDerWaalsContact C-N 3.32Å; Q375-V377 PolarHBondContact O-N 3.39Å; Q375-R378 PolarHBondContact O-N 3.31Å; Q375-K379 VanDerWaalsContact O-CG 3.32Å; Q375-K379 WeakPolarHBondContact O-CG 3.47Å; Q375-K379 PolarHBondContact O-N 3.31Å; Q375-D437 HydrophobicContact CB-CB 3.78Å; Q375-D437 HydrophobicContact CG-CB 3.78Å
376	P	96	Very high	96.8	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-43.2	171.9	-31.5	39.2	0	0	0	114.2	K379 V380 P431 V433	P376-K379 WeakPolarHBondContact O-CB 3.45Å; P376-K379 PolarHBondContact O-N 3.39Å; P376-V380 WeakPolarHBondContact O-CG2 3.46Å; P376-V380 PolarHBondContact O-N 3.36Å; P376-P431 HydrophobicContact CB-CB 4.44Å; P376-P431 WeakPolarHBondContact CB-O 3.49Å; P376-P431 VanDerWaalsContact CG-O 3.24Å; P376-P431 WeakPolarHBondContact CG-O 3.49Å; P376-V433 HydrophobicContact CG-CG2 3.67Å
377	V	96.1	Very high	96.9	Very high	63 Å²	63	54 Å²	54	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-45.8	178.8	-179	0	0	0	0	110.4	M374 Q375 K379 V380 Q381	M374-V377 HydrophobicContact CE-CB 3.93Å; M374-V377 HydrophobicContact CE-CG1 3.98Å; M374-V377 HydrophobicContact CE-CG2 4.08Å; M374-V377 PolarHBondContact O-N 3.38Å; M374-V377 HydrophobicContact SD-CG2 4.42Å; Q375-V377 VanDerWaalsContact C-N 3.32Å; Q375-V377 PolarHBondContact O-N 3.39Å; V377-K379 VanDerWaalsContact C-N 3.34Å; V377-K379 PolarHBondContact O-N 2.95Å; V377-V380 PolarHBondContact O-N 3.23Å; V377-Q381 WeakPolarHBondContact O-CG 3.26Å; V377-Q381 PolarHBondContact O-N 2.73Å
378	R	96.2	Very high	96.9	Very high	99 Å²	99	56.5 Å²	56.5	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-43.5	175.8	-68.9	169.7	-176.1	153.7	-1.2	111.5	D371 M374 Q375 V380 Q381 T382	D371-R378 IonicContact OD1-CZ 3.2Å; D371-R378 IonicContact OD1-NH1 2.73Å; D371-R378 PolarHBondContact OD1-NH1 3.48Å; D371-R378 IonicContact OD1-NH2 3.51Å; D371-R378 PolarHBondContact OD1-NH2 3.01Å; D371-R378 IonicContact OD2-NH1 3.95Å; M374-R378 WeakPolarHBondContact O-CG 3.44Å; M374-R378 PolarHBondContact O-N 3.23Å; Q375-R378 PolarHBondContact O-N 3.31Å; R378-V380 VanDerWaalsContact C-N 3.34Å; R378-V380 PolarHBondContact O-N 3.05Å; R378-Q381 PolarHBondContact O-N 2.88Å; R378-T382 PolarHBondContact O-N 3.03Å; R378-T382 PolarHBondContact O-OG1 3.16Å
379	K	95.9	Very high	96.8	Very high	65 Å²	65	58 Å²	58	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-44.6	176.2	-72.2	170	-173.5	171.1	0	111.6	Q375 P376 V377 A383 P431 D437	Q375-K379 VanDerWaalsContact O-CG 3.32Å; Q375-K379 WeakPolarHBondContact O-CG 3.47Å; Q375-K379 PolarHBondContact O-N 3.31Å; P376-K379 WeakPolarHBondContact O-CB 3.45Å; P376-K379 PolarHBondContact O-N 3.39Å; V377-K379 VanDerWaalsContact C-N 3.34Å; V377-K379 PolarHBondContact O-N 2.95Å; K379-A383 VanDerWaalsContact O-CB 3.32Å; K379-A383 WeakPolarHBondContact O-CB 3.05Å; K379-A383 PolarHBondContact O-N 3.37Å; K379-P431 HydrophobicContact CB-CG 4.36Å; K379-P431 HydrophobicContact CD-CB 4.33Å; K379-P431 HydrophobicContact CD-CG 4.32Å; K379-D437 WeakPolarHBondContact CE-OD1 3.4Å; K379-D437 IonicContact NZ-OD1 3.84Å; K379-D437 PolarHBondContact NZ-OD1 2.91Å; K379-D437 IonicContact NZ-OD2 3.04Å; K379-D437 PolarHBondContact NZ-OD2 2.92Å
380	V	96.8	Very high	96.7	Very high	13 Å²	13	61.5 Å²	61.5	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-48.1	175.8	173.1	0	0	0	0	111	P376 V377 R378 T382 A383 F386 P407 W420 L428	P376-V380 WeakPolarHBondContact O-CG2 3.46Å; P376-V380 PolarHBondContact O-N 3.36Å; V377-V380 PolarHBondContact O-N 3.23Å; R378-V380 VanDerWaalsContact C-N 3.34Å; R378-V380 PolarHBondContact O-N 3.05Å; V380-T382 VanDerWaalsContact C-N 3.33Å; V380-T382 PolarHBondContact O-N 3.49Å; V380-A383 WeakPolarHBondContact O-CB 3.32Å; V380-A383 PolarHBondContact O-N 3.22Å; V380-F386 HydrophobicContact CG1-CZ 4.39Å; V380-P407 HydrophobicContact CB-CG 4.23Å; V380-P407 HydrophobicContact CG2-CG 3.62Å; V380-W420 HydrophobicContact CG1-CB 3.79Å; V380-L428 HydrophobicContact CG1-CD1 4.03Å; V380-L428 HydrophobicContact CG1-CD2 4.07Å; V380-L428 HydrophobicContact CG2-CD1 4.21Å
381	Q	96.5	Very high	96.5	Very high	116 Å²	116	53.9 Å²	53.9	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-37.1	-178	-75.1	-178.9	-19.3	0	0	113.3	V377 R378	V377-Q381 WeakPolarHBondContact O-CG 3.26Å; V377-Q381 PolarHBondContact O-N 2.73Å; R378-Q381 PolarHBondContact O-N 2.88Å
382	T	96.5	Very high	96.3	Very high	112 Å²	112	55.1 Å²	55.1	69%	0.687	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.5	180	61.2	0	0	0	0	113.7	R378 V380	R378-T382 PolarHBondContact O-N 3.03Å; R378-T382 PolarHBondContact O-OG1 3.16Å; V380-T382 VanDerWaalsContact C-N 3.33Å; V380-T382 PolarHBondContact O-N 3.49Å
383	A	97.2	Very high	96.1	Very high	15 Å²	15	55.9 Å²	55.9	12%	0.124	29%	0.294	C	S	.	.			trans	-67.6	133.8	-178.2	0	0	0	0	0	111	K379 V380 F386 P407	K379-A383 VanDerWaalsContact O-CB 3.32Å; K379-A383 WeakPolarHBondContact O-CB 3.05Å; K379-A383 PolarHBondContact O-N 3.37Å; V380-A383 WeakPolarHBondContact O-CB 3.32Å; V380-A383 PolarHBondContact O-N 3.22Å; A383-F386 HydrophobicContact CB-CD2 4.37Å; A383-F386 HydrophobicContact CB-CE2 3.58Å; A383-F386 HydrophobicContact CB-CZ 3.68Å; A383-P407 HydrophobicContact CB-CB 3.83Å; A383-P407 HydrophobicContact CB-CG 4.17Å
384	T	97.1	Very high	95.7	Very high	88 Å²	88	58.1 Å²	58.1	54%	0.54	30%	0.299	S	S	.	.	S	Bend	trans	-103.3	-14.4	172	58.6	0	0	0	0	112.4	P417 M418	T384-P417 WeakPolarHBondContact O-CA 3.25Å; T384-M418 CarbonylContact C-O 3.57Å; T384-M418 VanDerWaalsContact C-O 3.23Å; T384-M418 PolarHBondContact O-N 2.94Å; T384-M418 VanDerWaalsContact O-O 3.07Å
385	H	98.1	Very high	95.4	Very high	38 Å²	38	60 Å²	60	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	140	-177.3	-67.7	68.4	0	0	0	110.8	C408 A415 K416	H385-C408 PolarHBondContact O-N 3.46Å; H385-A415 HydrophobicContact CB-CB 4.28Å; H385-K416 VanDerWaalsContact CA-O 3.25Å; H385-K416 WeakPolarHBondContact CA-O 3.48Å
386	F	98	Very high	95.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	174.8	-71.1	-106.2	0	0	0	109.9	V380 A383 L405 T406 P407 K416 M418 W420 V423 L428	V380-F386 HydrophobicContact CG1-CZ 4.39Å; A383-F386 HydrophobicContact CB-CD2 4.37Å; A383-F386 HydrophobicContact CB-CE2 3.58Å; A383-F386 HydrophobicContact CB-CZ 3.68Å; F386-L405 HydrophobicContact CB-CB 4.36Å; F386-L405 HydrophobicContact CB-CD2 4.39Å; F386-L405 HydrophobicContact CD1-CB 4.3Å; F386-T406 VanDerWaalsContact CA-O 3.3Å; F386-T406 WeakPolarHBondContact CA-O 3.46Å; F386-T406 VanDerWaalsContact CD1-C 3.46Å; F386-P407 HydrophobicContact CD1-CG 4.23Å; F386-P407 HydrophobicContact CE1-CB 4.41Å; F386-P407 HydrophobicContact CE1-CG 3.64Å; F386-P407 HydrophobicContact CZ-CG 4.12Å; F386-K416 PolarHBondContact N-O 3.09Å; F386-K416 PolarHBondContact O-N 3.06Å; F386-M418 HydrophobicContact CB-CG 3.93Å; F386-M418 HydrophobicContact CB-SD 3.93Å; F386-M418 HydrophobicContact CD2-CG 3.62Å; F386-M418 WeakPolarHBondContact CD2-O 3.45Å; F386-M418 HydrophobicContact CD2-SD 4.46Å; F386-M418 HydrophobicContact CG-CG 4.11Å; F386-M418 HydrophobicContact CG-SD 4.41Å; F386-W420 HydrophobicContact CZ-CB 4.1Å; F386-V423 HydrophobicContact CD1-CG2 3.9Å; F386-V423 HydrophobicContact CD2-CG2 4.23Å; F386-V423 HydrophobicContact CE1-CG2 3.86Å; F386-V423 HydrophobicContact CE2-CG2 4.19Å; F386-V423 HydrophobicContact CG-CG2 4.1Å; F386-V423 HydrophobicContact CZ-CG2 4.01Å; F386-L428 HydrophobicContact CE1-CD1 3.93Å
387	K	97.3	Very high	94.9	Very high	61 Å²	61	66.8 Å²	66.8	27%	0.265	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.8	174.3	68.4	-174.5	175.1	-168.1	0	110.7	V389 L405 T406 C408 D412	K387-V389 HydrophobicContact CG-CG1 4.06Å; K387-L405 WeakPolarHBondContact O-CA 3.32Å; K387-T406 HydrophobicContact CG-CG2 3.97Å; K387-T406 PolarHBondContact N-O 2.96Å; K387-T406 PolarHBondContact O-N 3.04Å; K387-T406 VanDerWaalsContact O-N 3.07Å; K387-C408 HydrophobicContact CB-CB 4.16Å; K387-C408 HydrophobicContact CD-CB 3.64Å; K387-C408 HydrophobicContact CG-CB 3.75Å; K387-C408 PolarHBondContact N-SG 3.16Å; K387-C408 VanDerWaalsContact N-SG 3.44Å; K387-D412 HydrophobicContact CD-CB 4.42Å; K387-D412 IonicContact NZ-OD2 2.7Å; K387-D412 PolarHBondContact NZ-OD2 3.21Å
388	R	97	Very high	94.8	Very high	145 Å²	145	68.4 Å²	68.4	55%	0.547	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.6	174.8	-72.4	-179.5	180	-116.8	0.3	110.5	L404 L405	R388-L404 CarbonylContact C-O 3.6Å; R388-L404 WeakPolarHBondContact CA-O 3.48Å; R388-L405 HydrophobicContact CG-CD2 3.59Å
389	V	96	Very high	94.7	Very high	35 Å²	35	68 Å²	68	21%	0.212	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.1	-178.3	-65	0	0	0	0	110.9	K387 N402 L404 T406 L429	K387-V389 HydrophobicContact CG-CG1 4.06Å; V389-N402 CarbonylContact O-C 3.52Å; V389-L404 HydrophobicContact CG2-CB 4.03Å; V389-L404 PolarHBondContact N-O 2.81Å; V389-L404 PolarHBondContact O-N 2.91Å; V389-T406 HydrophobicContact CG1-CG2 3.75Å; V389-T406 HydrophobicContact CG2-CG2 3.99Å; V389-L429 HydrophobicContact CG2-CB 4.32Å; V389-L429 HydrophobicContact CG2-CD2 3.54Å
390	S	95.7	Very high	94.7	Very high	76 Å²	76	69.9 Å²	69.9	53%	0.531	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.2	172.1	-55.7	0	0	0	0	110.9	V401 N402	S390-V401 CarbonylContact C-O 3.48Å; S390-V401 WeakPolarHBondContact CA-O 3.46Å; S390-N402 VanDerWaalsContact CB-OD1 3.29Å; S390-N402 WeakPolarHBondContact CB-OD1 3.15Å; S390-N402 PolarHBondContact OG-OD1 3.45Å
391	G	93.3	Very high	94.6	Very high	8 Å²	8	70.6 Å²	70.6	8%	0.082	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	177.8	175.5	0	0	0	0	0	112.6	I400 V401	G391-I400 WeakPolarHBondContact O-CA 3.44Å; G391-V401 PolarHBondContact N-O 3.43Å; G391-V401 WeakPolarHBondContact O-CG2 3.24Å; G391-V401 PolarHBondContact O-N 3.08Å
392	P	92.8	Very high	94.5	Very high	67 Å²	67	70.5 Å²	70.5	44%	0.435	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.1	177.2	-22.9	34.5	0	0	0	112	P397 I399 I400	P392-P397 HydrophobicContact CB-CB 4.41Å; P392-I399 CarbonylContact C-O 3.55Å; P392-I400 HydrophobicContact CG-CD1 4.33Å
393	S	92.1	Very high	94.4	Very high	19 Å²	19	67.7 Å²	67.7	13%	0.133	38%	0.376	C	S	.	.			trans	-61.9	142.6	174	-179.9	0	0	0	0	110.6	T395 D396 I399	S393-T395 PolarHBondContact O-N 2.99Å; S393-T395 PolarHBondContact OG-N 3.46Å; S393-T395 PolarHBondContact OG-OG1 3.26Å; S393-D396 VanDerWaalsContact CB-O 3.3Å; S393-D396 WeakPolarHBondContact CB-O 3.4Å; S393-D396 CarbonylContact O-C 3.36Å; S393-D396 PolarHBondContact O-N 3.05Å; S393-I399 PolarHBondContact N-O 3.25Å
394	R	89.2	Confident	94.4	Very high	96 Å²	96	67 Å²	67	36%	0.362	37%	0.37	S	S	.	.	S	Bend	trans	-69.6	-23.6	176	-61.7	-51.7	-170	161.4	5.1	113.3	D426 L428 L429 E430	R394-D426 WeakPolarHBondContact CG-O 3.32Å; R394-L428 VanDerWaalsContact CZ-O 3.29Å; R394-L428 PolarHBondContact NE-O 3.49Å; R394-L428 PolarHBondContact NH2-O 2.92Å; R394-L429 VanDerWaalsContact NH2-CA 3.31Å; R394-E430 IonicContact CZ-OE1 2.79Å; R394-E430 IonicContact CZ-OE2 3.54Å; R394-E430 IonicContact NH1-OE1 3.35Å; R394-E430 PolarHBondContact NH1-OE1 3.36Å; R394-E430 IonicContact NH1-OE2 2.96Å; R394-E430 IonicContact NH2-OE1 3.71Å; R394-E430 PolarHBondContact NH2-OE1 3.35Å; R394-E430 VanDerWaalsContact NH2-OE1 3.16Å; R394-E430 IonicContact NH2-OE2 3.16Å; R394-E430 PolarHBondContact NH2-OE2 2.9Å
395	T	89.2	Confident	94.4	Very high	124 Å²	124	63.3 Å²	63.3	76%	0.761	35%	0.347	S	S	*	.	S	Bend	trans	-90.3	-30.8	176.9	53.3	0	0	0	0	112.8	S393	S393-T395 PolarHBondContact O-N 2.99Å; S393-T395 PolarHBondContact OG-N 3.46Å; S393-T395 PolarHBondContact OG-OG1 3.26Å
396	D	91	Very high	94.4	Very high	62 Å²	62	62.4 Å²	62.4	33%	0.332	34%	0.344	S	S	.	.			trans	-145.7	97	179.9	-175.1	-10.3	0	0	0	110.4	S393 S398 I399	S393-D396 VanDerWaalsContact CB-O 3.3Å; S393-D396 WeakPolarHBondContact CB-O 3.4Å; S393-D396 CarbonylContact O-C 3.36Å; S393-D396 PolarHBondContact O-N 3.05Å; D396-S398 VanDerWaalsContact CG-OG 3.25Å; D396-S398 PolarHBondContact O-N 2.91Å; D396-S398 WeakPolarHBondContact OD1-CB 3.37Å; D396-S398 PolarHBondContact OD1-N 3.27Å; D396-S398 PolarHBondContact OD1-OG 3.38Å; D396-S398 PolarHBondContact OD2-OG 3.16Å; D396-I399 HydrophobicContact CB-CD1 4.1Å; D396-I399 HydrophobicContact CB-CG1 4.31Å; D396-I399 PolarHBondContact O-N 3.36Å; D396-I399 WeakPolarHBondContact OD2-CD1 3.38Å
397	P	90.7	Very high	94.3	Very high	100 Å²	100	63.6 Å²	63.6	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13	-178.5	-25.4	35.1	0	0	0	115	P392 I399	P392-P397 HydrophobicContact CB-CB 4.41Å; P397-I399 VanDerWaalsContact C-N 3.3Å
398	S	94.3	Very high	94.3	Very high	97 Å²	97	61.7 Å²	61.7	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.2	176	75	0	0	0	0	113.3	D396	D396-S398 VanDerWaalsContact CG-OG 3.25Å; D396-S398 PolarHBondContact O-N 2.91Å; D396-S398 WeakPolarHBondContact OD1-CB 3.37Å; D396-S398 PolarHBondContact OD1-N 3.27Å; D396-S398 PolarHBondContact OD1-OG 3.38Å; D396-S398 PolarHBondContact OD2-OG 3.16Å
399	I	94.3	Very high	94.3	Very high	90 Å²	90	58 Å²	58	46%	0.462	34%	0.343	S	S	.	.	S	Bend	trans	-102.6	127.4	-178	-58.8	176.2	0	0	0	109.5	P392 S393 D396 P397 V401	P392-I399 CarbonylContact C-O 3.55Å; S393-I399 PolarHBondContact N-O 3.25Å; D396-I399 HydrophobicContact CB-CD1 4.1Å; D396-I399 HydrophobicContact CB-CG1 4.31Å; D396-I399 PolarHBondContact O-N 3.36Å; D396-I399 WeakPolarHBondContact OD2-CD1 3.38Å; P397-I399 VanDerWaalsContact C-N 3.3Å; I399-V401 HydrophobicContact CG2-CG1 4.44Å
400	I	95.1	Very high	94.2	Very high	106 Å²	106	60.4 Å²	60.4	54%	0.544	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.1	171.5	-56.7	-58.7	0	0	0	109.8	G391 P392	G391-I400 WeakPolarHBondContact O-CA 3.44Å; P392-I400 HydrophobicContact CG-CD1 4.33Å
401	V	95.2	Very high	94.2	Very high	28 Å²	28	60.6 Å²	60.6	17%	0.17	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.4	173.8	-67.3	0	0	0	0	109.9	S390 G391 I399 L404	S390-V401 CarbonylContact C-O 3.48Å; S390-V401 WeakPolarHBondContact CA-O 3.46Å; G391-V401 PolarHBondContact N-O 3.43Å; G391-V401 WeakPolarHBondContact O-CG2 3.24Å; G391-V401 PolarHBondContact O-N 3.08Å; I399-V401 HydrophobicContact CG2-CG1 4.44Å; V401-L404 HydrophobicContact CG2-CD1 4.12Å; V401-L404 HydrophobicContact CG2-CD2 3.8Å; V401-L404 HydrophobicContact CG2-CG 3.75Å
402	N	94.8	Very high	94.3	Very high	113 Å²	113	62.8 Å²	62.8	60%	0.604	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	15	-173.9	-60.8	-50.2	0	0	0	113.1	V389 S390	V389-N402 CarbonylContact O-C 3.52Å; S390-N402 VanDerWaalsContact CB-OD1 3.29Å; S390-N402 WeakPolarHBondContact CB-OD1 3.15Å; S390-N402 PolarHBondContact OG-OD1 3.45Å
403	D	94.9	Very high	94.4	Very high	53 Å²	53	68.6 Å²	68.6	28%	0.283	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	14.7	-171	71.7	-24.1	0	0	0	114	K427	D403-K427 VanDerWaalsContact CG-NZ 3.28Å; D403-K427 IonicContact OD1-NZ 2.64Å; D403-K427 PolarHBondContact OD1-NZ 3.46Å; D403-K427 VanDerWaalsContact OD1-NZ 3.13Å; D403-K427 WeakPolarHBondContact OD2-CE 3.4Å; D403-K427 IonicContact OD2-NZ 3.85Å; D403-K427 PolarHBondContact OD2-NZ 2.9Å
404	L	96.7	Very high	94.5	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.7	173.4	-57.8	178	0	0	0	110.6	R388 V389 V401 K427 L429	R388-L404 CarbonylContact C-O 3.6Å; R388-L404 WeakPolarHBondContact CA-O 3.48Å; V389-L404 HydrophobicContact CG2-CB 4.03Å; V389-L404 PolarHBondContact N-O 2.81Å; V389-L404 PolarHBondContact O-N 2.91Å; V401-L404 HydrophobicContact CG2-CD1 4.12Å; V401-L404 HydrophobicContact CG2-CD2 3.8Å; V401-L404 HydrophobicContact CG2-CG 3.75Å; L404-K427 CarbonylContact C-O 3.58Å; L404-K427 VanDerWaalsContact CA-O 3.25Å; L404-K427 WeakPolarHBondContact CA-O 3.35Å; L404-L429 HydrophobicContact CB-CB 4.02Å; L404-L429 HydrophobicContact CD1-CB 4.26Å; L404-L429 HydrophobicContact CD1-CD1 4.26Å; L404-L429 HydrophobicContact CD1-CD2 4.38Å
405	L	97.1	Very high	94.9	Very high	11 Å²	11	66.3 Å²	66.3	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.6	180	-70.2	170.3	0	0	0	109.5	F386 K387 R388 M418 V423 K427 L429	F386-L405 HydrophobicContact CB-CB 4.36Å; F386-L405 HydrophobicContact CB-CD2 4.39Å; F386-L405 HydrophobicContact CD1-CB 4.3Å; K387-L405 WeakPolarHBondContact O-CA 3.32Å; R388-L405 HydrophobicContact CG-CD2 3.59Å; L405-M418 HydrophobicContact CD1-SD 4.11Å; L405-V423 HydrophobicContact CB-CG1 4.1Å; L405-V423 HydrophobicContact CD1-CG1 4.15Å; L405-V423 HydrophobicContact CD1-CG2 4.35Å; L405-K427 PolarHBondContact N-O 2.96Å; L405-L429 PolarHBondContact O-N 3.09Å
406	T	97	Very high	95.2	Very high	19 Å²	19	65.1 Å²	65.1	12%	0.117	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.5	175.8	-163.9	0	0	0	0	110.6	F386 K387 V389 C408 L429	F386-T406 VanDerWaalsContact CA-O 3.3Å; F386-T406 WeakPolarHBondContact CA-O 3.46Å; F386-T406 VanDerWaalsContact CD1-C 3.46Å; K387-T406 HydrophobicContact CG-CG2 3.97Å; K387-T406 PolarHBondContact N-O 2.96Å; K387-T406 PolarHBondContact O-N 3.04Å; K387-T406 VanDerWaalsContact O-N 3.07Å; V389-T406 HydrophobicContact CG1-CG2 3.75Å; V389-T406 HydrophobicContact CG2-CG2 3.99Å; T406-C408 PolarHBondContact O-N 2.71Å; T406-L429 WeakPolarHBondContact CA-O 3.33Å; T406-L429 VanDerWaalsContact CB-O 3.27Å; T406-L429 WeakPolarHBondContact CB-O 3.33Å; T406-L429 PolarHBondContact OG1-O 3.36Å
407	P	97.5	Very high	95.5	Very high	24 Å²	24	67 Å²	67	16%	0.156	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	138.7	171.4	-28.6	36.2	0	0	0	112.3	V380 A383 F386 P431	V380-P407 HydrophobicContact CB-CG 4.23Å; V380-P407 HydrophobicContact CG2-CG 3.62Å; A383-P407 HydrophobicContact CB-CB 3.83Å; A383-P407 HydrophobicContact CB-CG 4.17Å; F386-P407 HydrophobicContact CD1-CG 4.23Å; F386-P407 HydrophobicContact CE1-CB 4.41Å; F386-P407 HydrophobicContact CE1-CG 3.64Å; F386-P407 HydrophobicContact CZ-CG 4.12Å; P407-P431 HydrophobicContact CB-CG 4.5Å; P407-P431 HydrophobicContact CG-CG 4.16Å
408	C	96.6	Very high	95.7	Very high	22 Å²	22	64.5 Å²	64.5	15%	0.149	39%	0.391	C	S	.	.			trans	-146.6	167.4	179.9	67	0	0	0	0	112.2	H385 K387 T406 D412	H385-C408 PolarHBondContact O-N 3.46Å; K387-C408 HydrophobicContact CB-CB 4.16Å; K387-C408 HydrophobicContact CD-CB 3.64Å; K387-C408 HydrophobicContact CG-CB 3.75Å; K387-C408 PolarHBondContact N-SG 3.16Å; K387-C408 VanDerWaalsContact N-SG 3.44Å; T406-C408 PolarHBondContact O-N 2.71Å; C408-D412 HydrophobicContact CB-CB 4.16Å; C408-D412 WeakPolarHBondContact CB-OD2 3.35Å
409	S	96	Very high	95.8	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	37%	0.371	S	S	.	.			trans	-70.7	147.5	174.4	-55.6	0	0	0	0	110.3	G411 D412 A415	S409-G411 PolarHBondContact O-N 3.3Å; S409-G411 VanDerWaalsContact O-N 3.09Å; S409-D412 WeakPolarHBondContact CB-OD1 3.36Å; S409-D412 WeakPolarHBondContact O-CB 3.47Å; S409-D412 PolarHBondContact O-N 3.44Å; S409-A415 WeakPolarHBondContact O-CB 3.37Å
410	P	95.8	Very high	95.9	Very high	85 Å²	85	63 Å²	63	55%	0.552	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28	177.5	-26.5	34.1	0	0	0	114.7
411	G	95.1	Very high	95.9	Very high	79 Å²	79	64 Å²	64	81%	0.814	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.9	177.5	0	0	0	0	0	115.3	S409	S409-G411 PolarHBondContact O-N 3.3Å; S409-G411 VanDerWaalsContact O-N 3.09Å
412	D	95.5	Very high	96	Very high	55 Å²	55	67.8 Å²	67.8	29%	0.294	40%	0.395	S	S	.	.	S	Bend	trans	-67	142.9	179	-83.8	13.8	0	0	0	110.7	K387 C408 S409 G414 A415	K387-D412 HydrophobicContact CD-CB 4.42Å; K387-D412 IonicContact NZ-OD2 2.7Å; K387-D412 PolarHBondContact NZ-OD2 3.21Å; C408-D412 HydrophobicContact CB-CB 4.16Å; C408-D412 WeakPolarHBondContact CB-OD2 3.35Å; S409-D412 WeakPolarHBondContact CB-OD1 3.36Å; S409-D412 WeakPolarHBondContact O-CB 3.47Å; S409-D412 PolarHBondContact O-N 3.44Å; D412-G414 PolarHBondContact O-N 3.28Å; D412-A415 HydrophobicContact CB-CB 4.26Å; D412-A415 WeakPolarHBondContact O-CB 3.3Å; D412-A415 PolarHBondContact O-N 2.89Å
413	H	95.2	Very high	96	Very high	189 Å²	189	63.2 Å²	63.2	88%	0.875	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	124	173.2	178.5	-80.4	0	0	0	110.7	A415	H413-A415 VanDerWaalsContact C-N 3.33Å
414	G	94.1	Very high	96	Very high	43 Å²	43	63.8 Å²	63.8	44%	0.443	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	9.8	-178.1	0	0	0	0	0	114.8	D412 K416	D412-G414 PolarHBondContact O-N 3.28Å; G414-K416 PolarHBondContact O-N 3.41Å
415	A	97.1	Very high	95.8	Very high	24 Å²	24	69.5 Å²	69.5	20%	0.198	42%	0.418	C	S	.	.			trans	-59.9	126	170.7	0	0	0	0	0	110.5	H385 S409 D412 H413	H385-A415 HydrophobicContact CB-CB 4.28Å; S409-A415 WeakPolarHBondContact O-CB 3.37Å; D412-A415 HydrophobicContact CB-CB 4.26Å; D412-A415 WeakPolarHBondContact O-CB 3.3Å; D412-A415 PolarHBondContact O-N 2.89Å; H413-A415 VanDerWaalsContact C-N 3.33Å
416	K	96.3	Very high	95.6	Very high	98 Å²	98	72.3 Å²	72.3	43%	0.426	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.6	175.1	-62.3	-171.7	179.8	-167.3	0	108.9	H385 F386 G414 M418	H385-K416 VanDerWaalsContact CA-O 3.25Å; H385-K416 WeakPolarHBondContact CA-O 3.48Å; F386-K416 PolarHBondContact N-O 3.09Å; F386-K416 PolarHBondContact O-N 3.06Å; G414-K416 PolarHBondContact O-N 3.41Å; K416-M418 HydrophobicContact CB-CE 3.82Å; K416-M418 HydrophobicContact CD-CE 4.37Å; K416-M418 PolarHBondContact O-N 3.25Å
417	P	97.3	Very high	95.5	Very high	102 Å²	102	73.7 Å²	73.7	66%	0.662	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	118.2	174.6	26.9	-32.6	0	0	0	109.2	T384	T384-P417 WeakPolarHBondContact O-CA 3.25Å
418	M	95.1	Very high	95.4	Very high	48 Å²	48	74.7 Å²	74.7	24%	0.236	44%	0.441	C	S	.	.			trans	-167.1	155.7	175.2	59.8	-174.7	53.1	0	0	110.4	T384 F386 L405 K416 D422 V423	T384-M418 CarbonylContact C-O 3.57Å; T384-M418 VanDerWaalsContact C-O 3.23Å; T384-M418 PolarHBondContact O-N 2.94Å; T384-M418 VanDerWaalsContact O-O 3.07Å; F386-M418 HydrophobicContact CB-CG 3.93Å; F386-M418 HydrophobicContact CB-SD 3.93Å; F386-M418 HydrophobicContact CD2-CG 3.62Å; F386-M418 WeakPolarHBondContact CD2-O 3.45Å; F386-M418 HydrophobicContact CD2-SD 4.46Å; F386-M418 HydrophobicContact CG-CG 4.11Å; F386-M418 HydrophobicContact CG-SD 4.41Å; L405-M418 HydrophobicContact CD1-SD 4.11Å; K416-M418 HydrophobicContact CB-CE 3.82Å; K416-M418 HydrophobicContact CD-CE 4.37Å; K416-M418 PolarHBondContact O-N 3.25Å; M418-D422 HydrophobicContact CB-CB 4.19Å; M418-V423 HydrophobicContact SD-CG2 4.35Å
419	S	95.4	Very high	95.4	Very high	39 Å²	39	75.7 Å²	75.7	27%	0.273	45%	0.445	S	S	.	.			trans	-88.9	161.5	173.4	177.4	0	0	0	0	110.6	L421 D422	S419-L421 PolarHBondContact O-N 2.94Å; S419-L421 VanDerWaalsContact O-N 3.16Å; S419-L421 PolarHBondContact OG-N 3.3Å; S419-D422 PolarHBondContact N-OD2 2.94Å; S419-D422 WeakPolarHBondContact O-CB 3.49Å; S419-D422 PolarHBondContact O-N 3.37Å
420	W	95.6	Very high	95.2	Very high	117 Å²	117	76.3 Å²	76.3	44%	0.443	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-57.6	-25.7	169.7	71.7	-91.4	0	0	0	112.6	V380 F386 D422 V423	V380-W420 HydrophobicContact CG1-CB 3.79Å; F386-W420 HydrophobicContact CZ-CB 4.1Å; W420-D422 PolarHBondContact O-N 3.29Å; W420-V423 PolarHBondContact O-N 3.44Å
421	L	96.4	Very high	95.2	Very high	125 Å²	125	73.6 Å²	73.6	65%	0.654	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-62.6	-26.8	174.7	-72.2	168.2	0	0	0	112.8	S419	S419-L421 PolarHBondContact O-N 2.94Å; S419-L421 VanDerWaalsContact O-N 3.16Å; S419-L421 PolarHBondContact OG-N 3.3Å
422	D	96.1	Very high	95.2	Very high	109 Å²	109	73.2 Å²	73.2	58%	0.583	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-89	-9.6	-179.6	-51.8	-53.7	0	0	0	112.2	M418 S419 W420 P424	M418-D422 HydrophobicContact CB-CB 4.19Å; S419-D422 PolarHBondContact N-OD2 2.94Å; S419-D422 WeakPolarHBondContact O-CB 3.49Å; S419-D422 PolarHBondContact O-N 3.37Å; W420-D422 PolarHBondContact O-N 3.29Å; D422-P424 WeakPolarHBondContact O-CD 3.24Å
423	V	95.4	Very high	95.3	Very high	17 Å²	17	70.8 Å²	70.8	10%	0.103	39%	0.392	C	S	.	.	S	Bend	trans	-86.1	120.7	-176.9	-179.3	0	0	0	0	109.7	F386 L405 M418 W420 L428	F386-V423 HydrophobicContact CD1-CG2 3.9Å; F386-V423 HydrophobicContact CD2-CG2 4.23Å; F386-V423 HydrophobicContact CE1-CG2 3.86Å; F386-V423 HydrophobicContact CE2-CG2 4.19Å; F386-V423 HydrophobicContact CG-CG2 4.1Å; F386-V423 HydrophobicContact CZ-CG2 4.01Å; L405-V423 HydrophobicContact CB-CG1 4.1Å; L405-V423 HydrophobicContact CD1-CG1 4.15Å; L405-V423 HydrophobicContact CD1-CG2 4.35Å; M418-V423 HydrophobicContact SD-CG2 4.35Å; W420-V423 PolarHBondContact O-N 3.44Å; V423-L428 HydrophobicContact CG1-CB 3.94Å; V423-L428 HydrophobicContact CG1-CD1 4.13Å
424	P	94.9	Very high	95.3	Very high	64 Å²	64	63.3 Å²	63.3	42%	0.416	36%	0.36	S	S	.	.			trans	-58.9	141.3	174.5	-22.8	33.2	0	0	0	111.8	D422 D426 K427 L428	D422-P424 WeakPolarHBondContact O-CD 3.24Å; P424-D426 WeakPolarHBondContact CB-OD1 3.27Å; P424-D426 PolarHBondContact O-N 3.24Å; P424-D426 VanDerWaalsContact O-N 3.17Å; P424-K427 HydrophobicContact CB-CB 4.11Å; P424-K427 HydrophobicContact CB-CG 3.87Å; P424-K427 HydrophobicContact CG-CB 4.38Å; P424-K427 HydrophobicContact CG-CG 4.17Å; P424-K427 PolarHBondContact O-N 2.78Å; P424-L428 PolarHBondContact O-N 2.78Å
425	S	92.4	Very high	95.5	Very high	121 Å²	121	62.4 Å²	62.4	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-172.8	53.9	0	0	0	0	114.1
426	D	93.1	Very high	95.5	Very high	71 Å²	71	66.8 Å²	66.8	38%	0.38	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.1	178.2	67.8	-48.3	0	0	0	113.4	R394 P424	R394-D426 WeakPolarHBondContact CG-O 3.32Å; P424-D426 WeakPolarHBondContact CB-OD1 3.27Å; P424-D426 PolarHBondContact O-N 3.24Å; P424-D426 VanDerWaalsContact O-N 3.17Å
427	K	95.3	Very high	95.5	Very high	47 Å²	47	62.3 Å²	62.3	20%	0.204	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.9	-178.1	-58.2	-59	176.1	-178.9	0	113.8	D403 L404 L405 P424 L429	D403-K427 VanDerWaalsContact CG-NZ 3.28Å; D403-K427 IonicContact OD1-NZ 2.64Å; D403-K427 PolarHBondContact OD1-NZ 3.46Å; D403-K427 VanDerWaalsContact OD1-NZ 3.13Å; D403-K427 WeakPolarHBondContact OD2-CE 3.4Å; D403-K427 IonicContact OD2-NZ 3.85Å; D403-K427 PolarHBondContact OD2-NZ 2.9Å; L404-K427 CarbonylContact C-O 3.58Å; L404-K427 VanDerWaalsContact CA-O 3.25Å; L404-K427 WeakPolarHBondContact CA-O 3.35Å; L405-K427 PolarHBondContact N-O 2.96Å; P424-K427 HydrophobicContact CB-CB 4.11Å; P424-K427 HydrophobicContact CB-CG 3.87Å; P424-K427 HydrophobicContact CG-CB 4.38Å; P424-K427 HydrophobicContact CG-CG 4.17Å; P424-K427 PolarHBondContact O-N 2.78Å; K427-L429 PolarHBondContact O-N 3.38Å
428	L	95.6	Very high	95.5	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.241	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-66.5	129.1	176.1	-178.4	64.1	0	0	0	110.6	V380 F386 R394 V423 P424	V380-L428 HydrophobicContact CG1-CD1 4.03Å; V380-L428 HydrophobicContact CG1-CD2 4.07Å; V380-L428 HydrophobicContact CG2-CD1 4.21Å; F386-L428 HydrophobicContact CE1-CD1 3.93Å; R394-L428 VanDerWaalsContact CZ-O 3.29Å; R394-L428 PolarHBondContact NE-O 3.49Å; R394-L428 PolarHBondContact NH2-O 2.92Å; V423-L428 HydrophobicContact CG1-CB 3.94Å; V423-L428 HydrophobicContact CG1-CD1 4.13Å; P424-L428 PolarHBondContact O-N 2.78Å
429	L	94.8	Very high	95.6	Very high	43 Å²	43	57.6 Å²	57.6	23%	0.225	32%	0.315	C	S	.	.			trans	-108.5	99.8	162.9	-174.4	65.5	0	0	0	110	V389 R394 L404 L405 T406 K427	V389-L429 HydrophobicContact CG2-CB 4.32Å; V389-L429 HydrophobicContact CG2-CD2 3.54Å; R394-L429 VanDerWaalsContact NH2-CA 3.31Å; L404-L429 HydrophobicContact CB-CB 4.02Å; L404-L429 HydrophobicContact CD1-CB 4.26Å; L404-L429 HydrophobicContact CD1-CD1 4.26Å; L404-L429 HydrophobicContact CD1-CD2 4.38Å; L405-L429 PolarHBondContact O-N 3.09Å; T406-L429 WeakPolarHBondContact CA-O 3.33Å; T406-L429 VanDerWaalsContact CB-O 3.27Å; T406-L429 WeakPolarHBondContact CB-O 3.33Å; T406-L429 PolarHBondContact OG1-O 3.36Å; K427-L429 PolarHBondContact O-N 3.38Å
430	E	93.7	Very high	95.7	Very high	81 Å²	81	62.4 Å²	62.4	38%	0.379	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.9	141.3	174.9	63	-75.8	165.4	0	0	111.5	R394	R394-E430 IonicContact CZ-OE1 2.79Å; R394-E430 IonicContact CZ-OE2 3.54Å; R394-E430 IonicContact NH1-OE1 3.35Å; R394-E430 PolarHBondContact NH1-OE1 3.36Å; R394-E430 IonicContact NH1-OE2 2.96Å; R394-E430 IonicContact NH2-OE1 3.71Å; R394-E430 PolarHBondContact NH2-OE1 3.35Å; R394-E430 VanDerWaalsContact NH2-OE1 3.16Å; R394-E430 IonicContact NH2-OE2 3.16Å; R394-E430 PolarHBondContact NH2-OE2 2.9Å
431	P	95	Very high	95.7	Very high	27 Å²	27	56.9 Å²	56.9	18%	0.175	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-58.3	147	166.9	-22.2	33.6	0	0	0	110.8	P376 K379 P407	P376-P431 HydrophobicContact CB-CB 4.44Å; P376-P431 WeakPolarHBondContact CB-O 3.49Å; P376-P431 VanDerWaalsContact CG-O 3.24Å; P376-P431 WeakPolarHBondContact CG-O 3.49Å; K379-P431 HydrophobicContact CB-CG 4.36Å; K379-P431 HydrophobicContact CD-CB 4.33Å; K379-P431 HydrophobicContact CD-CG 4.32Å; P407-P431 HydrophobicContact CB-CG 4.5Å; P407-P431 HydrophobicContact CG-CG 4.16Å
432	V	95.3	Very high	95.8	Very high	72 Å²	72	51.7 Å²	51.7	44%	0.436	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-78.2	153.8	169.8	-60.1	0	0	0	0	110.6	P342 C434	P342-V432 HydrophobicContact CB-CG1 3.93Å; V432-C434 PolarHBondContact O-N 3.47Å
433	V	96.5	Very high	95.8	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-68.7	127.8	174.3	-179.8	0	0	0	0	109.2	P342 H343 S344 A372 L373 P376 D437 V438	P342-V433 PolarHBondContact O-N 3.1Å; H343-V433 CarbonylContact C-O 3.57Å; H343-V433 VanDerWaalsContact CA-O 3.28Å; H343-V433 WeakPolarHBondContact CA-O 3.37Å; H343-V433 HydrophobicContact CB-CB 4.34Å; H343-V433 WeakPolarHBondContact CB-O 3.5Å; S344-V433 PolarHBondContact N-O 3.26Å; A372-V433 HydrophobicContact CB-CG1 4.35Å; L373-V433 HydrophobicContact CD2-CG2 3.88Å; P376-V433 HydrophobicContact CG-CG2 3.67Å; V433-D437 HydrophobicContact CG1-CB 4.2Å; V433-V438 HydrophobicContact CG1-CG2 4.14Å
434	C	96.6	Very high	95.7	Very high	31 Å²	31	55.4 Å²	55.4	21%	0.209	31%	0.311	C	S	.	.			trans	-117.8	171.2	179.9	76.1	0	0	0	0	112.9	S344 V432 N436 D437 V438	S344-C434 WeakPolarHBondContact OG-CA 3.46Å; S344-C434 VanDerWaalsContact OG-CB 3.32Å; S344-C434 WeakPolarHBondContact OG-CB 3.27Å; V432-C434 PolarHBondContact O-N 3.47Å; C434-N436 VanDerWaalsContact C-N 3.26Å; C434-N436 PolarHBondContact O-N 2.87Å; C434-D437 PolarHBondContact N-OD2 3.28Å; C434-D437 VanDerWaalsContact N-OD2 3.11Å; C434-D437 VanDerWaalsContact O-CB 3.3Å; C434-D437 WeakPolarHBondContact O-CB 3.46Å; C434-D437 PolarHBondContact O-N 3.26Å; C434-D437 PolarHBondContact SG-OD2 3.44Å; C434-V438 PolarHBondContact O-N 3.09Å
435	M	97.2	Very high	95.6	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.118	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-37.1	-177.9	-174.9	52.5	167.9	0	0	113	L345 D349 L352 L353 D437 V438 L439	L345-M435 VanDerWaalsContact CD2-CA 3.46Å; L345-M435 HydrophobicContact CD2-CB 3.81Å; L345-M435 HydrophobicContact CD2-SD 4.04Å; D349-M435 HydrophobicContact CB-CE 4.36Å; D349-M435 HydrophobicContact CB-CG 4.47Å; D349-M435 HydrophobicContact CB-SD 3.99Å; L352-M435 HydrophobicContact CB-CE 4.19Å; L352-M435 HydrophobicContact CD2-CE 3.73Å; L352-M435 HydrophobicContact CG-CE 4.05Å; L353-M435 HydrophobicContact CD1-SD 4.2Å; L353-M435 HydrophobicContact CD2-CE 3.8Å; L353-M435 HydrophobicContact CD2-SD 3.87Å; L353-M435 HydrophobicContact CG-CE 3.84Å; L353-M435 HydrophobicContact CG-SD 3.93Å; M435-D437 VanDerWaalsContact C-N 3.29Å; M435-D437 PolarHBondContact O-N 3.21Å; M435-V438 PolarHBondContact O-N 2.96Å; M435-L439 HydrophobicContact CE-CD1 4.12Å; M435-L439 HydrophobicContact CE-CD2 3.85Å; M435-L439 HydrophobicContact CE-CG 3.93Å; M435-L439 HydrophobicContact CG-CD1 4Å; M435-L439 HydrophobicContact CG-CG 4.21Å; M435-L439 WeakPolarHBondContact O-CB 3.47Å; M435-L439 WeakPolarHBondContact O-CG 3.47Å; M435-L439 PolarHBondContact O-N 2.76Å; M435-L439 HydrophobicContact SD-CD1 4.44Å; M435-L439 HydrophobicContact SD-CG 4.07Å
436	N	96.9	Very high	95.6	Very high	117 Å²	117	56.3 Å²	56.3	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-33	177	-72.5	-20.4	0	0	0	112.9	C434 R440	C434-N436 VanDerWaalsContact C-N 3.26Å; C434-N436 PolarHBondContact O-N 2.87Å; N436-R440 WeakPolarHBondContact O-CB 3.41Å; N436-R440 PolarHBondContact O-N 3.16Å
437	D	97	Very high	95.7	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-43.9	176.8	-65	-30.5	0	0	0	110.6	Q375 K379 V433 C434 M435 S441	Q375-D437 HydrophobicContact CB-CB 3.78Å; Q375-D437 HydrophobicContact CG-CB 3.78Å; K379-D437 WeakPolarHBondContact CE-OD1 3.4Å; K379-D437 IonicContact NZ-OD1 3.84Å; K379-D437 PolarHBondContact NZ-OD1 2.91Å; K379-D437 IonicContact NZ-OD2 3.04Å; K379-D437 PolarHBondContact NZ-OD2 2.92Å; V433-D437 HydrophobicContact CG1-CB 4.2Å; C434-D437 PolarHBondContact N-OD2 3.28Å; C434-D437 VanDerWaalsContact N-OD2 3.11Å; C434-D437 VanDerWaalsContact O-CB 3.3Å; C434-D437 WeakPolarHBondContact O-CB 3.46Å; C434-D437 PolarHBondContact O-N 3.26Å; C434-D437 PolarHBondContact SG-OD2 3.44Å; M435-D437 VanDerWaalsContact C-N 3.29Å; M435-D437 PolarHBondContact O-N 3.21Å; D437-S441 PolarHBondContact O-N 2.88Å; D437-S441 VanDerWaalsContact O-N 3.15Å; D437-S441 PolarHBondContact O-OG 3.36Å
438	V	97.6	Very high	95.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-46	177.4	-170.6	0	0	0	0	111	F334 L345 L353 V368 A372 V433 C434 M435 R440 S441 V442	F334-V438 HydrophobicContact CE1-CG1 4Å; L345-V438 HydrophobicContact CD1-CG2 4.08Å; L345-V438 HydrophobicContact CD2-CG2 4.32Å; L353-V438 HydrophobicContact CD1-CB 4.43Å; L353-V438 HydrophobicContact CD1-CG1 3.81Å; L353-V438 HydrophobicContact CD2-CB 4.18Å; L353-V438 HydrophobicContact CD2-CG1 3.51Å; L353-V438 HydrophobicContact CG-CG1 4.32Å; V368-V438 HydrophobicContact CG1-CG1 4.32Å; A372-V438 HydrophobicContact CB-CB 4.35Å; A372-V438 HydrophobicContact CB-CG2 3.93Å; V433-V438 HydrophobicContact CG1-CG2 4.14Å; C434-V438 PolarHBondContact O-N 3.09Å; M435-V438 PolarHBondContact O-N 2.96Å; V438-R440 VanDerWaalsContact C-N 3.31Å; V438-R440 PolarHBondContact O-N 3.49Å; V438-S441 CarbonylContact O-C 3.46Å; V438-S441 WeakPolarHBondContact O-CA 3.25Å; V438-S441 WeakPolarHBondContact O-CB 3.44Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-V442 HydrophobicContact CG1-CG2 4.39Å; V438-V442 WeakPolarHBondContact O-CG2 3.3Å; V438-V442 PolarHBondContact O-N 2.99Å
439	L	97.4	Very high	95.5	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-38.7	178.6	-74	177.2	0	0	0	112.6	L353 K356 M435 S441 V442 A443	L353-L439 HydrophobicContact CD2-CD2 4.32Å; K356-L439 HydrophobicContact CD-CD2 3.6Å; M435-L439 HydrophobicContact CE-CD1 4.12Å; M435-L439 HydrophobicContact CE-CD2 3.85Å; M435-L439 HydrophobicContact CE-CG 3.93Å; M435-L439 HydrophobicContact CG-CD1 4Å; M435-L439 HydrophobicContact CG-CG 4.21Å; M435-L439 WeakPolarHBondContact O-CB 3.47Å; M435-L439 WeakPolarHBondContact O-CG 3.47Å; M435-L439 PolarHBondContact O-N 2.76Å; M435-L439 HydrophobicContact SD-CD1 4.44Å; M435-L439 HydrophobicContact SD-CG 4.07Å; L439-S441 VanDerWaalsContact C-N 3.33Å; L439-V442 PolarHBondContact O-N 2.6Å; L439-A443 WeakPolarHBondContact O-CB 3.4Å; L439-A443 PolarHBondContact O-N 2.89Å
440	R	96.5	Very high	95.3	Very high	139 Å²	139	58.1 Å²	58.1	53%	0.525	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-42.8	172.8	-177.7	-176.4	-66.3	173.8	-4	111.3	N436 V438 A443 N444	N436-R440 WeakPolarHBondContact O-CB 3.41Å; N436-R440 PolarHBondContact O-N 3.16Å; V438-R440 VanDerWaalsContact C-N 3.31Å; V438-R440 PolarHBondContact O-N 3.49Å; R440-A443 PolarHBondContact O-N 2.96Å; R440-N444 VanDerWaalsContact O-CG 3.31Å; R440-N444 PolarHBondContact O-N 3.2Å; R440-N444 VanDerWaalsContact O-N 3.1Å; R440-N444 PolarHBondContact O-ND2 3.13Å
441	S	97	Very high	95.2	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-38.5	178.9	-51.3	0	0	0	0	111.6	V368 D371 A372 D437 V438 L439 N444 S445	V368-S441 WeakPolarHBondContact O-CB 3.44Å; D371-S441 PolarHBondContact OD2-OG 2.86Å; A372-S441 WeakPolarHBondContact CA-OG 3.16Å; A372-S441 PolarHBondContact N-OG 2.79Å; D437-S441 PolarHBondContact O-N 2.88Å; D437-S441 VanDerWaalsContact O-N 3.15Å; D437-S441 PolarHBondContact O-OG 3.36Å; V438-S441 CarbonylContact O-C 3.46Å; V438-S441 WeakPolarHBondContact O-CA 3.25Å; V438-S441 WeakPolarHBondContact O-CB 3.44Å; V438-S441 PolarHBondContact O-N 3.03Å; L439-S441 VanDerWaalsContact C-N 3.33Å; S441-N444 PolarHBondContact O-N 3.33Å; S441-S445 WeakPolarHBondContact O-CB 3.25Å; S441-S445 PolarHBondContact O-N 3.22Å
442	V	97	Very high	95.1	Very high	15 Å²	15	62.9 Å²	62.9	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-47.7	171.9	172.9	0	0	0	0	110.6	F334 L353 T357 Y360 V368 V438 L439 N444 S445	F334-V442 HydrophobicContact CZ-CG2 4.48Å; L353-V442 HydrophobicContact CD2-CG2 4.44Å; T357-V442 HydrophobicContact CG2-CG1 4.12Å; T357-V442 HydrophobicContact CG2-CG2 4.08Å; Y360-V442 PolarHBondContact OH-O 3.16Å; V368-V442 HydrophobicContact CG1-CG2 3.56Å; V438-V442 HydrophobicContact CG1-CG2 4.39Å; V438-V442 WeakPolarHBondContact O-CG2 3.3Å; V438-V442 PolarHBondContact O-N 2.99Å; L439-V442 PolarHBondContact O-N 2.6Å; V442-N444 PolarHBondContact O-N 3.35Å; V442-S445 PolarHBondContact O-N 3Å; V442-S445 VanDerWaalsContact O-N 3.08Å
443	A	95.7	Very high	95	Very high	82 Å²	82	62 Å²	62	68%	0.678	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-29.2	-178.4	0	0	0	0	0	113.6	L439 R440	L439-A443 WeakPolarHBondContact O-CB 3.4Å; L439-A443 PolarHBondContact O-N 2.89Å; R440-A443 PolarHBondContact O-N 2.96Å
444	N	93.7	Very high	94.9	Very high	122 Å²	122	63 Å²	63	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.4	177.3	-68.8	-21	0	0	0	113.6	R440 S441 V442	R440-N444 VanDerWaalsContact O-CG 3.31Å; R440-N444 PolarHBondContact O-N 3.2Å; R440-N444 VanDerWaalsContact O-N 3.1Å; R440-N444 PolarHBondContact O-ND2 3.13Å; S441-N444 PolarHBondContact O-N 3.33Å; V442-N444 PolarHBondContact O-N 3.35Å
445	S	93.2	Very high	94.8	Very high	27 Å²	27	67.7 Å²	67.7	19%	0.189	36%	0.362	C	S	.	.			trans	-108.3	151.4	-179.3	-175.3	0	0	0	0	110.5	Y360 S441 V442	Y360-S445 PolarHBondContact OH-O 2.96Å; S441-S445 WeakPolarHBondContact O-CB 3.25Å; S441-S445 PolarHBondContact O-N 3.22Å; V442-S445 PolarHBondContact O-N 3Å; V442-S445 VanDerWaalsContact O-N 3.08Å
446	K	92.6	Very high	94.7	Very high	177 Å²	177	70.9 Å²	70.9	77%	0.77	38%	0.376	S	S	*	.			trans	-124.7	148.7	172.4	-68.1	-173.3	179.9	-176.9	0	108.7	T448	K446-T448 PolarHBondContact O-N 3.44Å
447	P	94.6	Very high	94.6	Very high	57 Å²	57	65.4 Å²	65.4	37%	0.37	35%	0.347	S	S	.	.			trans	-61.6	135.8	175.4	26.1	-32.8	0	0	0	110.2	Y360	Y360-P447 HydrophobicContact CD2-CB 3.96Å; Y360-P447 HydrophobicContact CD2-CG 4.47Å; Y360-P447 HydrophobicContact CE2-CB 4.12Å; Y360-P447 HydrophobicContact CE2-CG 4.24Å
448	T	93.8	Very high	94.4	Very high	99 Å²	99	71.5 Å²	71.5	61%	0.607	37%	0.373	S	S	*	.	S	Bend	trans	-80.8	-23.6	-176	-59.1	0	0	0	0	112.6	D364 K446	D364-T448 WeakPolarHBondContact OD1-CB 3.2Å; D364-T448 PolarHBondContact OD1-N 2.97Å; D364-T448 PolarHBondContact OD1-OG1 3Å; D364-T448 PolarHBondContact OD2-N 2.99Å; K446-T448 PolarHBondContact O-N 3.44Å
449	V	92.5	Very high	94.2	Very high	16 Å²	16	77.9 Å²	77.9	10%	0.097	40%	0.401	C	S	.	.			trans	-87.3	124	-177.1	-176.3	0	0	0	0	110.1	P199 P200 L324 L454	P199-V449 HydrophobicContact CB-CG1 3.85Å; P199-V449 HydrophobicContact CB-CG2 3.84Å; P199-V449 HydrophobicContact CG-CG1 4.35Å; P200-V449 HydrophobicContact CG-CG2 4.19Å; L324-V449 HydrophobicContact CD1-CG1 4.46Å; L324-V449 HydrophobicContact CD2-CB 4.45Å; L324-V449 HydrophobicContact CD2-CG2 4.08Å; V449-L454 HydrophobicContact CG1-CD1 4.37Å; V449-L454 HydrophobicContact CG1-CD2 3.8Å; V449-L454 HydrophobicContact CG1-CG 3.86Å
450	N	91.4	Very high	94	Very high	74 Å²	74	75.8 Å²	75.8	40%	0.396	39%	0.389	S	S	.	.			trans	-91.1	157.9	177.8	66.7	66	0	0	0	112.2	V452 D453 L454	N450-V452 VanDerWaalsContact C-N 3.3Å; N450-V452 PolarHBondContact O-N 3.29Å; N450-V452 WeakPolarHBondContact OD1-CB 3.47Å; N450-V452 PolarHBondContact OD1-N 3.39Å; N450-V452 VanDerWaalsContact OD1-N 3.17Å; N450-D453 PolarHBondContact ND2-OD2 3.07Å; N450-D453 PolarHBondContact O-N 3.06Å; N450-D453 PolarHBondContact OD1-N 2.8Å; N450-D453 PolarHBondContact OD1-OD2 2.74Å; N450-L454 PolarHBondContact O-N 2.81Å
451	D	92.5	Very high	93.7	Very high	123 Å²	123	70.7 Å²	70.7	66%	0.658	37%	0.374	S	S	*	.	H	α-helix	trans	-64.4	-31.6	-178.2	-65.9	-38.5	0	0	0	113.3	D453 L454 E455	D451-D453 VanDerWaalsContact C-N 3.35Å; D451-D453 PolarHBondContact O-N 3.48Å; D451-L454 WeakPolarHBondContact O-CB 3.36Å; D451-L454 PolarHBondContact O-N 2.73Å; D451-E455 WeakPolarHBondContact O-CG 3.45Å; D451-E455 PolarHBondContact O-N 3.01Å
452	V	93.1	Very high	93.4	Very high	85 Å²	85	77.7 Å²	77.7	52%	0.515	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-41.4	179.9	178.2	0	0	0	0	111.3	N450 E455 K456	N450-V452 VanDerWaalsContact C-N 3.3Å; N450-V452 PolarHBondContact O-N 3.29Å; N450-V452 WeakPolarHBondContact OD1-CB 3.47Å; N450-V452 PolarHBondContact OD1-N 3.39Å; N450-V452 VanDerWaalsContact OD1-N 3.17Å; V452-E455 PolarHBondContact O-N 3.35Å; V452-K456 WeakPolarHBondContact O-CG 3.49Å; V452-K456 PolarHBondContact O-N 3.18Å; V452-K456 VanDerWaalsContact O-N 3.13Å
453	D	92.2	Very high	93	Very high	53 Å²	53	81.4 Å²	81.4	28%	0.283	43%	0.43	S	S	.	.	H	α-helix	trans	-71.1	-35	177	-69.3	-30.6	0	0	0	111.2	N450 D451 K456 L457	N450-D453 PolarHBondContact ND2-OD2 3.07Å; N450-D453 PolarHBondContact O-N 3.06Å; N450-D453 PolarHBondContact OD1-N 2.8Å; N450-D453 PolarHBondContact OD1-OD2 2.74Å; D451-D453 VanDerWaalsContact C-N 3.35Å; D451-D453 PolarHBondContact O-N 3.48Å; D453-K456 PolarHBondContact O-N 3.49Å; D453-K456 IonicContact OD1-NZ 2.93Å; D453-L457 WeakPolarHBondContact O-CB 3.38Å; D453-L457 VanDerWaalsContact O-CG 3.31Å; D453-L457 WeakPolarHBondContact O-CG 3.44Å; D453-L457 PolarHBondContact O-N 2.86Å
454	L	94.1	Very high	92.6	Very high	26 Å²	26	81.3 Å²	81.3	14%	0.136	41%	0.414	C	S	.	.	H	α-helix	trans	-63.6	-39.4	172.3	-66.3	177.1	0	0	0	112.1	P199 L324 V449 N450 D451 L457 K458	P199-L454 HydrophobicContact CG-CD2 3.65Å; L324-L454 HydrophobicContact CD1-CD1 3.97Å; L324-L454 HydrophobicContact CD1-CD2 4.02Å; L324-L454 HydrophobicContact CG-CD2 4.37Å; V449-L454 HydrophobicContact CG1-CD1 4.37Å; V449-L454 HydrophobicContact CG1-CD2 3.8Å; V449-L454 HydrophobicContact CG1-CG 3.86Å; N450-L454 PolarHBondContact O-N 2.81Å; D451-L454 WeakPolarHBondContact O-CB 3.36Å; D451-L454 PolarHBondContact O-N 2.73Å; L454-L457 HydrophobicContact CD2-CD1 4.49Å; L454-L457 PolarHBondContact O-N 2.94Å; L454-K458 WeakPolarHBondContact O-CB 3.22Å; L454-K458 VanDerWaalsContact O-CG 3.28Å; L454-K458 WeakPolarHBondContact O-CG 3.3Å; L454-K458 PolarHBondContact O-N 2.94Å
455	E	95.2	Very high	91.3	Very high	128 Å²	128	76.5 Å²	76.5	60%	0.598	39%	0.393	S	S	*	.	H	α-helix	trans	-63.4	-43.9	174.7	-74.7	178.6	-179.6	0	0	112.1	D451 V452 L457 K458 K459	D451-E455 WeakPolarHBondContact O-CG 3.45Å; D451-E455 PolarHBondContact O-N 3.01Å; V452-E455 PolarHBondContact O-N 3.35Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 3.17Å; E455-K458 PolarHBondContact O-N 2.76Å; E455-K459 WeakPolarHBondContact O-CB 3.29Å; E455-K459 PolarHBondContact O-N 2.96Å
456	K	95	Very high	89.9	Confident	92 Å²	92	78.8 Å²	78.8	40%	0.4	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-39.6	175.2	-69.3	174.2	-172.4	162.6	0	112	W306 V452 D453 K459 F460	W306-K456 HydrophobicContact CD2-CB 4.26Å; W306-K456 HydrophobicContact CE3-CB 3.8Å; W306-K456 HydrophobicContact CH2-CB 3.63Å; W306-K456 HydrophobicContact CH2-CD 3.97Å; W306-K456 HydrophobicContact CH2-CG 4.49Å; W306-K456 HydrophobicContact CZ2-CB 4.1Å; W306-K456 HydrophobicContact CZ2-CD 3.66Å; W306-K456 HydrophobicContact CZ3-CB 3.47Å; W306-K456 VanDerWaalsContact CZ3-CB 3.47Å; V452-K456 WeakPolarHBondContact O-CG 3.49Å; V452-K456 PolarHBondContact O-N 3.18Å; V452-K456 VanDerWaalsContact O-N 3.13Å; D453-K456 PolarHBondContact O-N 3.49Å; D453-K456 IonicContact OD1-NZ 2.93Å; K456-K459 PolarHBondContact O-N 3.42Å; K456-F460 PolarHBondContact O-N 3.2Å
457	L	94.5	Very high	87.7	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-64.9	-46.8	175.1	-75.9	167.6	0	0	0	111.5	F197 P199 P305 W306 Y321 D453 L454 E455 K459 F460 T461	F197-L457 HydrophobicContact CD2-CD2 4.14Å; P199-L457 HydrophobicContact CB-CD1 4.24Å; P199-L457 HydrophobicContact CG-CD1 3.54Å; P305-L457 HydrophobicContact CG-CD2 3.98Å; W306-L457 HydrophobicContact CH2-CG 4.44Å; W306-L457 HydrophobicContact CZ3-CD2 3.87Å; W306-L457 HydrophobicContact CZ3-CG 3.88Å; Y321-L457 HydrophobicContact CE2-CB 4.12Å; Y321-L457 HydrophobicContact CE2-CD1 4.43Å; Y321-L457 HydrophobicContact CE2-CD2 4.46Å; D453-L457 WeakPolarHBondContact O-CB 3.38Å; D453-L457 VanDerWaalsContact O-CG 3.31Å; D453-L457 WeakPolarHBondContact O-CG 3.44Å; D453-L457 PolarHBondContact O-N 2.86Å; L454-L457 HydrophobicContact CD2-CD1 4.49Å; L454-L457 PolarHBondContact O-N 2.94Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 3.17Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.31Å; L457-F460 PolarHBondContact O-N 2.8Å; L457-T461 PolarHBondContact O-N 2.96Å; L457-T461 PolarHBondContact O-OG1 2.63Å
458	K	92.5	Very high	85.2	Confident	131 Å²	131	79.4 Å²	79.4	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-56	-46.4	174.3	-75.2	171.8	-175.9	175	0	111	L454 E455 T461 L462	L454-K458 WeakPolarHBondContact O-CB 3.22Å; L454-K458 VanDerWaalsContact O-CG 3.28Å; L454-K458 WeakPolarHBondContact O-CG 3.3Å; L454-K458 PolarHBondContact O-N 2.94Å; E455-K458 PolarHBondContact O-N 2.76Å; K458-T461 PolarHBondContact O-N 3.33Å; K458-L462 VanDerWaalsContact O-CG 3.32Å; K458-L462 WeakPolarHBondContact O-CG 3.35Å; K458-L462 PolarHBondContact O-N 2.86Å
459	K	94.1	Very high	84.7	Confident	135 Å²	135	78.5 Å²	78.5	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-59.3	-47.9	175.9	-176	176.6	-180	178.2	0	111.7	E455 K456 L457 T461 L462 D463	E455-K459 WeakPolarHBondContact O-CB 3.29Å; E455-K459 PolarHBondContact O-N 2.96Å; K456-K459 PolarHBondContact O-N 3.42Å; L457-K459 VanDerWaalsContact C-N 3.3Å; L457-K459 PolarHBondContact O-N 3.31Å; K459-T461 VanDerWaalsContact C-N 3.32Å; K459-T461 PolarHBondContact O-N 3.37Å; K459-L462 PolarHBondContact O-N 2.82Å; K459-D463 WeakPolarHBondContact O-CB 3.21Å; K459-D463 VanDerWaalsContact O-CG 3.25Å; K459-D463 PolarHBondContact O-N 3.03Å
460	F	93.4	Very high	84.3	Confident	6 Å²	6	81.7 Å²	81.7	3%	0.026	43%	0.425	C	S	.	.	H	α-helix	trans	-62.1	-39.5	177	-175.4	-86	0	0	0	112.3	F197 P305 W306 R313 K456 L457 D463 F464 G465	F197-F460 HydrophobicContact CD1-CE1 4.37Å; F197-F460 AromaticContact CD2-CD1 3.96Å; F197-F460 HydrophobicContact CD2-CD1 3.96Å; F197-F460 HydrophobicContact CD2-CE1 4.3Å; F197-F460 HydrophobicContact CE1-CD1 4.44Å; F197-F460 HydrophobicContact CE1-CE1 4.22Å; F197-F460 AromaticContact CE2-CD1 3.59Å; F197-F460 HydrophobicContact CE2-CD1 3.59Å; F197-F460 HydrophobicContact CE2-CE1 4.13Å; F197-F460 HydrophobicContact CG-CE1 4.4Å; F197-F460 AromaticContact CZ-CD1 3.85Å; F197-F460 HydrophobicContact CZ-CD1 3.85Å; F197-F460 HydrophobicContact CZ-CE1 4.08Å; P305-F460 HydrophobicContact CB-CD1 3.75Å; P305-F460 HydrophobicContact CB-CD2 4Å; P305-F460 HydrophobicContact CB-CE1 3.56Å; P305-F460 HydrophobicContact CB-CE2 3.8Å; P305-F460 HydrophobicContact CB-CG 3.98Å; P305-F460 HydrophobicContact CB-CZ 3.59Å; P305-F460 HydrophobicContact CG-CB 4.16Å; P305-F460 HydrophobicContact CG-CD1 3.57Å; P305-F460 HydrophobicContact CG-CD2 4.02Å; P305-F460 HydrophobicContact CG-CE1 3.94Å; P305-F460 HydrophobicContact CG-CE2 4.34Å; P305-F460 HydrophobicContact CG-CG 3.62Å; P305-F460 HydrophobicContact CG-CZ 4.31Å; P305-F460 VanDerWaalsContact O-CE2 3.31Å; P305-F460 WeakPolarHBondContact O-CE2 3.33Å; W306-F460 HydrophobicContact CB-CD2 4.21Å; R313-F460 HydrophobicContact CG-CZ 4.46Å; K456-F460 PolarHBondContact O-N 3.2Å; L457-F460 PolarHBondContact O-N 2.8Å; F460-D463 PolarHBondContact O-N 2.99Å; F460-F464 HydrophobicContact CD1-CB 4.44Å; F460-F464 AromaticContact CD2-CD2 3.76Å; F460-F464 HydrophobicContact CD2-CD2 3.76Å; F460-F464 HydrophobicContact CE1-CB 4.01Å; F460-F464 HydrophobicContact CE2-CB 4.14Å; F460-F464 AromaticContact CE2-CD2 3.7Å; F460-F464 HydrophobicContact CE2-CD2 3.7Å; F460-F464 HydrophobicContact CE2-CG 4.17Å; F460-F464 HydrophobicContact CG-CD2 4.4Å; F460-F464 HydrophobicContact CZ-CB 3.84Å; F460-F464 HydrophobicContact CZ-CD2 4.28Å; F460-F464 HydrophobicContact CZ-CG 4.33Å; F460-F464 WeakPolarHBondContact O-CA 3.32Å; F460-F464 PolarHBondContact O-N 3Å; F460-G465 PolarHBondContact O-N 2.62Å
461	T	90.2	Very high	83.9	Confident	32 Å²	32	82.2 Å²	82.2	20%	0.196	43%	0.427	C	S	.	.	H	α-helix	trans	-63.3	-41.7	176	-57.6	0	0	0	0	111.4	F197 L457 K458 K459 G465	F197-T461 VanDerWaalsContact CE2-OG1 3.28Å; F197-T461 WeakPolarHBondContact CE2-OG1 3.48Å; L457-T461 PolarHBondContact O-N 2.96Å; L457-T461 PolarHBondContact O-OG1 2.63Å; K458-T461 PolarHBondContact O-N 3.33Å; K459-T461 VanDerWaalsContact C-N 3.32Å; K459-T461 PolarHBondContact O-N 3.37Å; T461-G465 WeakPolarHBondContact O-CA 3.17Å; T461-G465 PolarHBondContact O-N 2.7Å
462	L	90.5	Very high	83.4	Confident	149 Å²	149	79.8 Å²	79.8	78%	0.78	41%	0.413	S	S	*	.	H	α-helix	trans	-65.8	-43.4	175.5	-70.7	166.2	0	0	0	112.1	K458 K459	K458-L462 VanDerWaalsContact O-CG 3.32Å; K458-L462 WeakPolarHBondContact O-CG 3.35Å; K458-L462 PolarHBondContact O-N 2.86Å; K459-L462 PolarHBondContact O-N 2.82Å
463	D	89.3	Confident	82.8	Confident	94 Å²	94	79.4 Å²	79.4	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-77.2	-36.1	-175	-68.2	-15.9	0	0	0	112.9	K459 F460	K459-D463 WeakPolarHBondContact O-CB 3.21Å; K459-D463 VanDerWaalsContact O-CG 3.25Å; K459-D463 PolarHBondContact O-N 3.03Å; F460-D463 PolarHBondContact O-N 2.99Å
464	F	85.5	Confident	82.2	Confident	79 Å²	79	81.2 Å²	81.2	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-139	-12.5	-167.3	-61.2	-69	0	0	0	114.9	R313 R319 F460	R313-F464 VanDerWaalsContact NH1-CE1 3.31Å; R313-F464 VanDerWaalsContact NH1-CE2 3.3Å; R319-F464 WeakPolarHBondContact CD-O 3.35Å; R319-F464 PolarHBondContact NH1-O 3.3Å; F460-F464 HydrophobicContact CD1-CB 4.44Å; F460-F464 AromaticContact CD2-CD2 3.76Å; F460-F464 HydrophobicContact CD2-CD2 3.76Å; F460-F464 HydrophobicContact CE1-CB 4.01Å; F460-F464 HydrophobicContact CE2-CB 4.14Å; F460-F464 AromaticContact CE2-CD2 3.7Å; F460-F464 HydrophobicContact CE2-CD2 3.7Å; F460-F464 HydrophobicContact CE2-CG 4.17Å; F460-F464 HydrophobicContact CG-CD2 4.4Å; F460-F464 HydrophobicContact CZ-CB 3.84Å; F460-F464 HydrophobicContact CZ-CD2 4.28Å; F460-F464 HydrophobicContact CZ-CG 4.33Å; F460-F464 WeakPolarHBondContact O-CA 3.32Å; F460-F464 PolarHBondContact O-N 3Å
465	G	68	Low	81.4	Confident	21 Å²	21	85.1 Å²	85.1	22%	0.216	44%	0.435	C	S	.	.			trans	-67.8	154.5	179	0	0	0	0	0	111.2	F460 T461	F460-G465 PolarHBondContact O-N 2.62Å; T461-G465 WeakPolarHBondContact O-CA 3.17Å; T461-G465 PolarHBondContact O-N 2.7Å
466	Q	62.1	Low	80.3	Confident	75 Å²	75	81.8 Å²	81.8	35%	0.35	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-107.2	135.5	154.6	-67.3	-179.8	1.1	0	0	105.2	G468	Q466-G468 PolarHBondContact O-N 3.13Å; Q466-G468 VanDerWaalsContact O-N 3.16Å
467	E	47.8	Very low	79.1	Confident	187 Å²	187	81 Å²	81	87%	0.874	42%	0.424	S	S	*	.			trans	-54.8	124.9	164.8	-70.5	-178.9	164.2	0	0	107
468	G	41	Very low	77.7	Confident	61 Å²	61	88.2 Å²	88.2	63%	0.629	46%	0.462	S	S	*	.			trans	-76.7	0	166.7	0	0	0	0	0	108.7	Q466	Q466-G468 PolarHBondContact O-N 3.13Å; Q466-G468 VanDerWaalsContact O-N 3.16Å

Retrieved 468 of 468 residues in 132 ms (Link to these results)

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