A0A077ZBT3_TRITR Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077ZBT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 534 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	80.4	Confident	85	Confident	56 Å²	56	60.1 Å²	60.1	28%	0.276	31%	0.306	S	S	.	.				0	-62.5	0	-158.1	58.8	-156	0	0	110.5	Q3 L4 V5 L25 I117 C120	M1-Q3 PolarHBondContact O-N 3.04Å; M1-L4 HydrophobicContact CE-CD2 4.35Å; M1-L4 WeakPolarHBondContact O-CA 3.22Å; M1-L4 VanDerWaalsContact O-CB 3.25Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-V5 HydrophobicContact CE-CG2 4.06Å; M1-V5 HydrophobicContact CG-CG2 4.27Å; M1-V5 PolarHBondContact O-N 2.89Å; M1-L25 HydrophobicContact CE-CD1 3.63Å; M1-L25 HydrophobicContact CE-CD2 3.71Å; M1-L25 HydrophobicContact CE-CG 4.31Å; M1-L25 HydrophobicContact CG-CD1 3.91Å; M1-L25 HydrophobicContact SD-CD1 4.46Å; M1-I117 HydrophobicContact CE-CB 4.34Å; M1-I117 HydrophobicContact CE-CG1 4.03Å; M1-I117 HydrophobicContact CE-CG2 3.9Å; M1-C120 HydrophobicContact SD-CB 3.93Å
2	A	80.3	Confident	85.1	Confident	14 Å²	14	55.1 Å²	55.1	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-51.4	-43.5	-178.4	0	0	0	0	0	118.4	L4 V5 Q6 E36 L48	A2-L4 PolarHBondContact O-N 2.94Å; A2-V5 PolarHBondContact O-N 2.88Å; A2-Q6 WeakPolarHBondContact O-CB 3.38Å; A2-Q6 WeakPolarHBondContact O-CG 3.3Å; A2-Q6 PolarHBondContact O-N 2.89Å; A2-E36 WeakPolarHBondContact CA-OE2 3.32Å; A2-E36 WeakPolarHBondContact CB-OE2 3.32Å; A2-E36 PolarHBondContact N-OE2 3.18Å; A2-L48 HydrophobicContact CB-CD1 3.2Å; A2-L48 HydrophobicContact CB-CD2 4.01Å; A2-L48 HydrophobicContact CB-CG 4.2Å
3	Q	83.7	Confident	85.3	Confident	168 Å²	168	57.1 Å²	57.1	79%	0.785	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-35.5	175	-69.7	178	-14.9	0	0	112.3	M1 S7	M1-Q3 PolarHBondContact O-N 3.04Å; Q3-S7 WeakPolarHBondContact O-CB 3.34Å; Q3-S7 PolarHBondContact O-N 3.41Å
4	L	85.1	Confident	85.5	Confident	44 Å²	44	62.4 Å²	62.4	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-45.6	175.2	176.4	65.1	0	0	0	110.9	M1 A2 Q6 S7 I8 S116 I117 C120	M1-L4 HydrophobicContact CE-CD2 4.35Å; M1-L4 WeakPolarHBondContact O-CA 3.22Å; M1-L4 VanDerWaalsContact O-CB 3.25Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 3.11Å; A2-L4 PolarHBondContact O-N 2.94Å; L4-Q6 VanDerWaalsContact C-N 3.34Å; L4-Q6 PolarHBondContact O-N 3.31Å; L4-S7 PolarHBondContact O-N 3.42Å; L4-I8 HydrophobicContact CD1-CD1 3.99Å; L4-I8 HydrophobicContact CD1-CG1 4.15Å; L4-I8 HydrophobicContact CD2-CD1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.82Å; L4-I8 HydrophobicContact CG-CG1 4.38Å; L4-I8 WeakPolarHBondContact O-CB 3.39Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.3Å; L4-I8 PolarHBondContact O-N 3.46Å; L4-S116 WeakPolarHBondContact CD2-O 3.32Å; L4-I117 HydrophobicContact CD2-CG1 4.43Å; L4-C120 HydrophobicContact CD2-CB 3.64Å
5	V	84.9	Confident	85.7	Confident	9 Å²	9	64 Å²	64	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-48.2	177.1	175	0	0	0	0	110.9	M1 A2 S7 I8 C9 L23 E36	M1-V5 HydrophobicContact CE-CG2 4.06Å; M1-V5 HydrophobicContact CG-CG2 4.27Å; M1-V5 PolarHBondContact O-N 2.89Å; A2-V5 PolarHBondContact O-N 2.88Å; V5-S7 PolarHBondContact O-N 3.45Å; V5-I8 PolarHBondContact O-N 3.11Å; V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.41Å; V5-C9 VanDerWaalsContact O-SG 3.38Å; V5-L23 HydrophobicContact CB-CD2 4.15Å; V5-L23 HydrophobicContact CG1-CB 4.1Å; V5-L23 HydrophobicContact CG1-CD2 3.88Å; V5-L23 HydrophobicContact CG2-CD2 3.85Å; V5-E36 WeakPolarHBondContact CG2-OE2 3.4Å
6	Q	85	Confident	85.8	Confident	92 Å²	92	60.1 Å²	60.1	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177	-71.7	178.4	-10.2	0	0	112.4	A2 L4 C9 K10 V38	A2-Q6 WeakPolarHBondContact O-CB 3.38Å; A2-Q6 WeakPolarHBondContact O-CG 3.3Å; A2-Q6 PolarHBondContact O-N 2.89Å; L4-Q6 VanDerWaalsContact C-N 3.34Å; L4-Q6 PolarHBondContact O-N 3.31Å; Q6-C9 PolarHBondContact O-N 3.1Å; Q6-K10 WeakPolarHBondContact O-CB 3.43Å; Q6-K10 PolarHBondContact O-N 2.86Å; Q6-V38 VanDerWaalsContact NE2-CG2 3.31Å
7	S	86.9	Confident	85.8	Confident	55 Å²	55	58.9 Å²	58.9	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.5	-161.7	0	0	0	0	111.4	Q3 L4 V5 K10 D11	Q3-S7 WeakPolarHBondContact O-CB 3.34Å; Q3-S7 PolarHBondContact O-N 3.41Å; L4-S7 PolarHBondContact O-N 3.42Å; V5-S7 PolarHBondContact O-N 3.45Å; S7-K10 PolarHBondContact O-N 3.4Å; S7-D11 WeakPolarHBondContact O-CB 3.35Å; S7-D11 PolarHBondContact O-N 3.01Å; S7-D11 PolarHBondContact OG-OD2 3.27Å
8	I	86.3	Confident	85.7	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-52.6	176.3	-73.5	170.1	0	0	0	110	L4 V5 K10 D11 A12 L23 I87 C113 I117	L4-I8 HydrophobicContact CD1-CD1 3.99Å; L4-I8 HydrophobicContact CD1-CG1 4.15Å; L4-I8 HydrophobicContact CD2-CD1 4.43Å; L4-I8 HydrophobicContact CG-CD1 3.82Å; L4-I8 HydrophobicContact CG-CG1 4.38Å; L4-I8 WeakPolarHBondContact O-CB 3.39Å; L4-I8 VanDerWaalsContact O-CG1 3.32Å; L4-I8 WeakPolarHBondContact O-CG1 3.3Å; L4-I8 PolarHBondContact O-N 3.46Å; V5-I8 PolarHBondContact O-N 3.11Å; I8-K10 VanDerWaalsContact C-N 3.3Å; I8-K10 PolarHBondContact O-N 3.22Å; I8-D11 PolarHBondContact O-N 3.44Å; I8-A12 WeakPolarHBondContact O-CB 3.16Å; I8-A12 PolarHBondContact O-N 2.98Å; I8-L23 HydrophobicContact CD1-CD2 4.29Å; I8-L23 HydrophobicContact CG2-CD2 4.45Å; I8-I87 HydrophobicContact CG2-CD1 4.01Å; I8-C113 HydrophobicContact CD1-CB 4.18Å; I8-C113 HydrophobicContact CG2-CB 4.37Å; I8-C113 WeakPolarHBondContact CG2-SG 2.83Å; I8-I117 HydrophobicContact CD1-CD1 4.05Å; I8-I117 HydrophobicContact CD1-CG1 3.84Å
9	C	86.5	Confident	85.4	Confident	21 Å²	21	59.1 Å²	59.1	14%	0.142	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-39	-179.5	-68.2	0	0	0	0	112.1	V5 Q6 K13	V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.41Å; V5-C9 VanDerWaalsContact O-SG 3.38Å; Q6-C9 PolarHBondContact O-N 3.1Å; C9-K13 WeakPolarHBondContact O-CG 3.13Å; C9-K13 PolarHBondContact O-N 3.01Å
10	K	87.5	Confident	85.3	Confident	133 Å²	133	61.4 Å²	61.4	58%	0.578	30%	0.304	S	S	*	.	H	α-helix	trans	-66.2	-45	178.2	-176.9	178.8	-177	177.7	0	112.1	Q6 S7 I8 K14	Q6-K10 WeakPolarHBondContact O-CB 3.43Å; Q6-K10 PolarHBondContact O-N 2.86Å; S7-K10 PolarHBondContact O-N 3.4Å; I8-K10 VanDerWaalsContact C-N 3.3Å; I8-K10 PolarHBondContact O-N 3.22Å; K10-K14 WeakPolarHBondContact O-CG 3.46Å; K10-K14 PolarHBondContact O-N 2.71Å
11	D	88.1	Confident	85.1	Confident	58 Å²	58	59.4 Å²	59.4	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-76	-32.5	-178.6	-65.7	-30.2	0	0	0	111.3	S7 I8 K14 L15	S7-D11 WeakPolarHBondContact O-CB 3.35Å; S7-D11 PolarHBondContact O-N 3.01Å; S7-D11 PolarHBondContact OG-OD2 3.27Å; I8-D11 PolarHBondContact O-N 3.44Å; D11-K14 PolarHBondContact O-N 2.88Å; D11-K14 IonicContact OD1-NZ 3.9Å; D11-K14 PolarHBondContact OD1-NZ 3.34Å; D11-L15 PolarHBondContact O-N 3.22Å
12	A	87	Confident	85.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-50.6	168.6	0	0	0	0	0	111.6	I8 K14 L15 I16 L89 L109	I8-A12 WeakPolarHBondContact O-CB 3.16Å; I8-A12 PolarHBondContact O-N 2.98Å; A12-K14 VanDerWaalsContact C-N 3.26Å; A12-K14 PolarHBondContact O-N 2.84Å; A12-L15 PolarHBondContact O-N 2.89Å; A12-I16 PolarHBondContact O-N 3.45Å; A12-L89 HydrophobicContact CB-CD2 4.28Å; A12-L109 HydrophobicContact CB-CD2 3.54Å
13	K	87.7	Confident	85.5	Confident	81 Å²	81	57.9 Å²	57.9	35%	0.352	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-28	177.3	-75.1	-167.7	-178.6	-163.3	0	113.6	C9 I16 P17 Q19 C21	C9-K13 WeakPolarHBondContact O-CG 3.13Å; C9-K13 PolarHBondContact O-N 3.01Å; K13-I16 CarbonylContact O-C 3.6Å; K13-P17 VanDerWaalsContact O-CA 3.27Å; K13-P17 WeakPolarHBondContact O-CA 3.33Å; K13-Q19 PolarHBondContact NZ-O 2.93Å; K13-C21 HydrophobicContact CD-CB 4.04Å; K13-C21 VanDerWaalsContact CE-N 3.28Å; K13-C21 HydrophobicContact CG-CB 3.53Å
14	K	87.7	Confident	85.6	Confident	132 Å²	132	52 Å²	52	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-76.2	-43.5	175.6	-72.9	172.7	-171.6	161.4	0	112.1	K10 D11 A12	K10-K14 WeakPolarHBondContact O-CG 3.46Å; K10-K14 PolarHBondContact O-N 2.71Å; D11-K14 PolarHBondContact O-N 2.88Å; D11-K14 IonicContact OD1-NZ 3.9Å; D11-K14 PolarHBondContact OD1-NZ 3.34Å; A12-K14 VanDerWaalsContact C-N 3.26Å; A12-K14 PolarHBondContact O-N 2.84Å
15	L	88.2	Confident	85.7	Confident	86 Å²	86	51 Å²	51	45%	0.45	26%	0.257	S	S	.	.	H	α-helix	trans	-69.4	-42.6	179	-105.1	125.1	0	0	0	111.2	D11 A12 L105	D11-L15 PolarHBondContact O-N 3.22Å; A12-L15 PolarHBondContact O-N 2.89Å; L15-L105 HydrophobicContact CD2-CB 4.47Å; L15-L105 HydrophobicContact CD2-CD1 4.47Å; L15-L105 HydrophobicContact CD2-CD2 4Å
16	I	87.1	Confident	85.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.259	C	S	.	.	S	Bend	trans	-126.8	92.9	-179.9	-51.7	171.7	0	0	0	107.3	A12 K13 S18 L89 K92 Y98 D102 L105 A106	A12-I16 PolarHBondContact O-N 3.45Å; K13-I16 CarbonylContact O-C 3.6Å; I16-S18 PolarHBondContact O-N 2.87Å; I16-L89 HydrophobicContact CB-CD1 4.06Å; I16-L89 HydrophobicContact CD1-CD1 3.77Å; I16-L89 HydrophobicContact CG2-CD1 4.03Å; I16-K92 HydrophobicContact CG2-CD 4.42Å; I16-Y98 HydrophobicContact CG2-CD1 3.94Å; I16-Y98 HydrophobicContact CG2-CE1 3.64Å; I16-D102 WeakPolarHBondContact CD1-O 3.32Å; I16-D102 HydrophobicContact CG2-CB 4.23Å; I16-L105 HydrophobicContact CD1-CB 4.15Å; I16-L105 HydrophobicContact CG1-CB 4.13Å; I16-A106 HydrophobicContact CD1-CB 3.61Å
17	P	86.1	Confident	85.5	Confident	40 Å²	40	49.3 Å²	49.3	26%	0.26	25%	0.25	S	C	.	.			trans	-52.7	108.6	178.7	-30.9	35.8	0	0	0	112.5	K13 K92 I93	K13-P17 VanDerWaalsContact O-CA 3.27Å; K13-P17 WeakPolarHBondContact O-CA 3.33Å; P17-K92 WeakPolarHBondContact O-CD 3.48Å; P17-I93 HydrophobicContact CB-CB 3.87Å; P17-I93 HydrophobicContact CB-CD1 4.42Å; P17-I93 HydrophobicContact CB-CG1 4.49Å; P17-I93 PolarHBondContact O-N 3.48Å
18	S	83.3	Confident	85.2	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.4	176.9	74.9	0	0	0	0	110.8	I16 E20 L89 N91 Y98	I16-S18 PolarHBondContact O-N 2.87Å; S18-E20 PolarHBondContact OG-O 2.98Å; S18-L89 WeakPolarHBondContact OG-CD2 3.5Å; S18-N91 CarbonylContact C-O 3.56Å; S18-N91 WeakPolarHBondContact CA-O 3.21Å; S18-Y98 WeakPolarHBondContact CB-OH 3.35Å
19	Q	81	Confident	84.9	Confident	118 Å²	118	59.3 Å²	59.3	55%	0.551	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-47.8	177.4	-169.3	178.8	-0.9	0	0	110.1	K13 L90 N91	K13-Q19 PolarHBondContact NZ-O 2.93Å; Q19-L90 PolarHBondContact N-O 3.06Å; Q19-L90 VanDerWaalsContact N-O 3.14Å; Q19-N91 HydrophobicContact CB-CB 3.87Å; Q19-N91 PolarHBondContact N-O 3.35Å; Q19-N91 PolarHBondContact OE1-ND2 2.81Å
20	E	82.5	Confident	85	Confident	106 Å²	106	60.7 Å²	60.7	50%	0.495	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.8	178.7	-55.2	-177.7	174	0	0	111.1	S18 L90	S18-E20 PolarHBondContact OG-O 2.98Å; E20-L90 HydrophobicContact CB-CB 4.15Å; E20-L90 HydrophobicContact CB-CD1 4.43Å; E20-L90 PolarHBondContact N-O 3.49Å; E20-L90 VanDerWaalsContact N-O 3.15Å; E20-L90 PolarHBondContact O-N 3.38Å
21	C	82.4	Confident	84.9	Confident	20 Å²	20	57.3 Å²	57.3	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	126.1	176	178.2	0	0	0	0	107.5	K13 Q88 L89	K13-C21 HydrophobicContact CD-CB 4.04Å; K13-C21 VanDerWaalsContact CE-N 3.28Å; K13-C21 HydrophobicContact CG-CB 3.53Å; C21-Q88 VanDerWaalsContact CA-O 3.25Å; C21-Q88 WeakPolarHBondContact CA-O 3.21Å; C21-L89 HydrophobicContact CB-CD2 3.79Å; C21-L89 VanDerWaalsContact SG-CD2 3.52Å
22	A	83.7	Confident	85	Confident	30 Å²	30	57.2 Å²	57.2	25%	0.248	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142	178.4	0	0	0	0	0	109.8	Y24 I87 Q88	A22-Y24 HydrophobicContact CB-CD2 4.39Å; A22-Y24 HydrophobicContact CB-CE2 3.58Å; A22-I87 WeakPolarHBondContact O-CA 3.36Å; A22-Q88 PolarHBondContact N-O 3.42Å; A22-Q88 PolarHBondContact O-N 3.49Å
23	L	85.1	Confident	85	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.3	174.5	178	79.5	0	0	0	108.2	V5 I8 L25 A85 V86 I87 I117	V5-L23 HydrophobicContact CB-CD2 4.15Å; V5-L23 HydrophobicContact CG1-CB 4.1Å; V5-L23 HydrophobicContact CG1-CD2 3.88Å; V5-L23 HydrophobicContact CG2-CD2 3.85Å; I8-L23 HydrophobicContact CD1-CD2 4.29Å; I8-L23 HydrophobicContact CG2-CD2 4.45Å; L23-L25 HydrophobicContact CD2-CD2 4.19Å; L23-A85 HydrophobicContact CD1-CB 3.92Å; L23-V86 WeakPolarHBondContact CA-O 3.43Å; L23-I87 HydrophobicContact CD1-CB 4.45Å; L23-I87 HydrophobicContact CD1-CD1 4.09Å; L23-I87 HydrophobicContact CD1-CG1 3.27Å; L23-I117 HydrophobicContact CD1-CD1 4Å; L23-I117 HydrophobicContact CD2-CD1 3.91Å
24	Y	85.9	Confident	85.1	Confident	45 Å²	45	54.1 Å²	54.1	18%	0.176	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.6	177.4	-59.9	-97.2	0	0	0	108.6	A22 L33 A35 F53 V60 A85 V86 Q88	A22-Y24 HydrophobicContact CB-CD2 4.39Å; A22-Y24 HydrophobicContact CB-CE2 3.58Å; Y24-L33 HydrophobicContact CD1-CB 4.46Å; Y24-A35 HydrophobicContact CD1-CB 3.73Å; Y24-A35 HydrophobicContact CE1-CB 3.8Å; Y24-F53 HydrophobicContact CE1-CE2 4.48Å; Y24-V60 HydrophobicContact CD1-CG1 4.23Å; Y24-V60 HydrophobicContact CD2-CB 4.42Å; Y24-V60 HydrophobicContact CD2-CG1 3.59Å; Y24-V60 HydrophobicContact CD2-CG2 4.01Å; Y24-V60 HydrophobicContact CE2-CG1 4.19Å; Y24-V60 HydrophobicContact CE2-CG2 3.79Å; Y24-V60 HydrophobicContact CG-CG1 3.62Å; Y24-A85 CarbonylContact O-C 3.58Å; Y24-A85 WeakPolarHBondContact O-CA 3.15Å; Y24-A85 WeakPolarHBondContact O-CB 3.34Å; Y24-V86 PolarHBondContact N-O 2.89Å; Y24-V86 PolarHBondContact O-N 3.15Å; Y24-Q88 HydrophobicContact CE2-CB 4.2Å
25	L	86.2	Confident	85	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.12	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	145.9	172.5	-57.6	176	0	0	0	109.2	M1 L23 L33 V34 A85 I117	M1-L25 HydrophobicContact CE-CD1 3.63Å; M1-L25 HydrophobicContact CE-CD2 3.71Å; M1-L25 HydrophobicContact CE-CG 4.31Å; M1-L25 HydrophobicContact CG-CD1 3.91Å; M1-L25 HydrophobicContact SD-CD1 4.46Å; L23-L25 HydrophobicContact CD2-CD2 4.19Å; L25-L33 CarbonylContact O-C 3.57Å; L25-L33 WeakPolarHBondContact O-CA 3.37Å; L25-V34 HydrophobicContact CB-CB 4.36Å; L25-V34 PolarHBondContact N-O 2.9Å; L25-V34 PolarHBondContact O-N 3.18Å; L25-A85 HydrophobicContact CD2-CB 3.91Å; L25-I117 HydrophobicContact CD2-CD1 4.19Å; L25-I117 HydrophobicContact CD2-CG2 3.93Å
26	I	82.5	Confident	84.5	Confident	19 Å²	19	46.6 Å²	46.6	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	177.6	-61.5	160.7	0	0	0	109	Q28 L33 M55 A64 V83 I84 V86	I26-Q28 HydrophobicContact CG2-CG 4.33Å; I26-L33 HydrophobicContact CG1-CD2 3.75Å; I26-M55 HydrophobicContact CG2-SD 3.88Å; I26-A64 HydrophobicContact CD1-CB 3.59Å; I26-A64 HydrophobicContact CG1-CB 4.04Å; I26-V83 HydrophobicContact CD1-CB 3.65Å; I26-V83 HydrophobicContact CD1-CG1 3.47Å; I26-V83 VanDerWaalsContact CD1-CG1 3.47Å; I26-V83 VanDerWaalsContact CD1-O 3.31Å; I26-V83 WeakPolarHBondContact CD1-O 3.47Å; I26-I84 PolarHBondContact N-O 2.84Å; I26-I84 VanDerWaalsContact N-O 3.09Å; I26-V86 HydrophobicContact CD1-CG2 4.33Å
27	D	84.5	Confident	83.9	Confident	45 Å²	45	49.4 Å²	49.4	24%	0.241	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	100.4	169.1	-174.8	-3.5	0	0	0	109.3	E29 S30 S31 E32 V34 R52	D27-E29 VanDerWaalsContact C-N 3.28Å; D27-E29 PolarHBondContact O-N 2.86Å; D27-E29 PolarHBondContact OD1-N 3.48Å; D27-S30 WeakPolarHBondContact CB-OG 3.45Å; D27-S30 PolarHBondContact OD2-OG 3.23Å; D27-S31 VanDerWaalsContact O-CA 3.3Å; D27-S31 WeakPolarHBondContact O-CA 3.47Å; D27-S31 PolarHBondContact O-N 2.93Å; D27-E32 PolarHBondContact N-O 2.74Å; D27-E32 PolarHBondContact O-N 3.14Å; D27-E32 VanDerWaalsContact O-N 3.16Å; D27-V34 HydrophobicContact CB-CG2 4.03Å; D27-R52 IonicContact OD2-CZ 3.99Å; D27-R52 IonicContact OD2-NH1 2.86Å; D27-R52 PolarHBondContact OD2-NH1 3.16Å; D27-R52 VanDerWaalsContact OD2-NH1 3.1Å; D27-R52 IonicContact OD2-NH2 2.68Å
28	Q	79.3	Confident	83	Confident	95 Å²	95	50.5 Å²	50.5	44%	0.444	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.2	-177.4	-66.8	-72	-22.4	0	0	112.8	I26 V83	I26-Q28 HydrophobicContact CG2-CG 4.33Å; Q28-V83 PolarHBondContact NE2-O 2.96Å
29	E	81.4	Confident	82.5	Confident	182 Å²	182	53.2 Å²	53.2	85%	0.85	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.4	-178.8	-69.7	-179.7	-171.3	0	0	111.3	D27	D27-E29 VanDerWaalsContact C-N 3.28Å; D27-E29 PolarHBondContact O-N 2.86Å; D27-E29 PolarHBondContact OD1-N 3.48Å
30	S	87.1	Confident	82.3	Confident	50 Å²	50	53.5 Å²	53.5	35%	0.35	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.5	178.2	58.8	0	0	0	0	113.8	D27 E32	D27-S30 WeakPolarHBondContact CB-OG 3.45Å; D27-S30 PolarHBondContact OD2-OG 3.23Å; S30-E32 PolarHBondContact OG-OE2 2.79Å
31	S	86.3	Confident	82	Confident	62 Å²	62	51 Å²	51	43%	0.434	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	48.3	-170.3	-59.7	0	0	0	0	112.2	D27 M55	D27-S31 VanDerWaalsContact O-CA 3.3Å; D27-S31 WeakPolarHBondContact O-CA 3.47Å; D27-S31 PolarHBondContact O-N 2.93Å; S31-M55 WeakPolarHBondContact O-CB 3.47Å; S31-M55 PolarHBondContact O-N 2.82Å
32	E	90.8	Very high	82.1	Confident	56 Å²	56	58.5 Å²	58.5	26%	0.262	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.4	-179.5	-64.1	-178.2	143.7	0	0	112.5	D27 S30 R52 F53	D27-E32 PolarHBondContact N-O 2.74Å; D27-E32 PolarHBondContact O-N 3.14Å; D27-E32 VanDerWaalsContact O-N 3.16Å; S30-E32 PolarHBondContact OG-OE2 2.79Å; E32-R52 WeakPolarHBondContact OE2-CD 3.47Å; E32-R52 IonicContact OE2-CZ 2.66Å; E32-R52 IonicContact OE2-NE 3.74Å; E32-R52 IonicContact OE2-NH1 3.48Å; E32-R52 PolarHBondContact OE2-NH1 3.32Å; E32-F53 CarbonylContact C-O 3.4Å; E32-F53 WeakPolarHBondContact CA-O 3.45Å; E32-F53 WeakPolarHBondContact CB-O 3.32Å
33	L	87.3	Confident	82	Confident	3 Å²	3	65 Å²	65	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.4	162.6	-67.8	170.5	0	0	0	109.8	Y24 L25 I26 R52 F53 V60 A64	Y24-L33 HydrophobicContact CD1-CB 4.46Å; L25-L33 CarbonylContact O-C 3.57Å; L25-L33 WeakPolarHBondContact O-CA 3.37Å; I26-L33 HydrophobicContact CG1-CD2 3.75Å; L33-R52 CarbonylContact O-C 3.47Å; L33-R52 WeakPolarHBondContact O-CA 3.26Å; L33-F53 HydrophobicContact CB-CB 4.39Å; L33-F53 PolarHBondContact N-O 3.47Å; L33-F53 PolarHBondContact O-N 2.76Å; L33-V60 HydrophobicContact CD1-CB 4.1Å; L33-V60 HydrophobicContact CD1-CG1 3.67Å; L33-V60 HydrophobicContact CD2-CG1 4.14Å; L33-A64 HydrophobicContact CD2-CB 3.91Å
34	V	87.8	Confident	81.6	Confident	13 Å²	13	70.6 Å²	70.6	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.2	-179	-172.4	0	0	0	0	109.2	L25 D27 E50 L51 R52	L25-V34 HydrophobicContact CB-CB 4.36Å; L25-V34 PolarHBondContact N-O 2.9Å; L25-V34 PolarHBondContact O-N 3.18Å; D27-V34 HydrophobicContact CB-CG2 4.03Å; V34-E50 HydrophobicContact CG1-CG 3.36Å; V34-L51 WeakPolarHBondContact CA-O 3.25Å; V34-R52 HydrophobicContact CG2-CG 4.34Å
35	A	85.8	Confident	80.8	Confident	8 Å²	8	74.6 Å²	74.6	7%	0.066	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.8	173.4	0	0	0	0	0	110.3	Y24 L51 F53	Y24-A35 HydrophobicContact CD1-CB 3.73Å; Y24-A35 HydrophobicContact CE1-CB 3.8Å; A35-L51 PolarHBondContact N-O 3.42Å; A35-L51 PolarHBondContact O-N 2.87Å; A35-F53 HydrophobicContact CB-CE2 4.46Å
36	E	78.3	Confident	80.1	Confident	52 Å²	52	79.9 Å²	79.9	24%	0.243	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.4	173.8	-69.6	177.5	159.3	0	0	109.1	A2 V5 L48	A2-E36 WeakPolarHBondContact CA-OE2 3.32Å; A2-E36 WeakPolarHBondContact CB-OE2 3.32Å; A2-E36 PolarHBondContact N-OE2 3.18Å; V5-E36 WeakPolarHBondContact CG2-OE2 3.4Å; E36-L48 HydrophobicContact CB-CD2 4.48Å
37	V	74	Confident	79.4	Confident	60 Å²	60	84 Å²	84	36%	0.364	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.6	178.9	-176.7	0	0	0	0	109.4	E39 K49 L51	V37-E39 PolarHBondContact O-N 3.46Å; V37-K49 PolarHBondContact N-O 2.72Å; V37-K49 PolarHBondContact O-N 2.86Å; V37-L51 HydrophobicContact CB-CD1 4.4Å; V37-L51 HydrophobicContact CG2-CD1 3.54Å; V37-L51 HydrophobicContact CG2-CG 4.2Å
38	V	67.8	Low	78.7	Confident	63 Å²	63	85.8 Å²	85.8	38%	0.382	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.2	173.3	-176.8	0	0	0	0	108.6	Q6 E46 Y47 L48	Q6-V38 VanDerWaalsContact NE2-CG2 3.31Å; V38-E46 HydrophobicContact CG1-CB 3.85Å; V38-E46 HydrophobicContact CG1-CG 3.96Å; V38-Y47 WeakPolarHBondContact CA-O 3.5Å; V38-L48 HydrophobicContact CG2-CD2 3.83Å
39	E	73.3	Confident	78.8	Confident	60 Å²	60	85.1 Å²	85.1	28%	0.28	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	162.4	169.6	-77.9	-171.3	174.7	0	0	109.9	V37 E46 Y47 K49	V37-E39 PolarHBondContact O-N 3.46Å; E39-E46 CarbonylContact O-C 3.57Å; E39-E46 WeakPolarHBondContact O-CA 3.44Å; E39-Y47 HydrophobicContact CB-CD1 4.48Å; E39-Y47 HydrophobicContact CB-CE1 3.91Å; E39-Y47 HydrophobicContact CB-CE2 3.9Å; E39-Y47 PolarHBondContact N-O 3.45Å; E39-Y47 PolarHBondContact O-N 3.07Å; E39-Y47 VanDerWaalsContact O-O 3.1Å; E39-Y47 PolarHBondContact OE2-OH 3.42Å; E39-K49 HydrophobicContact CG-CB 4.32Å; E39-K49 HydrophobicContact CG-CD 4.26Å; E39-K49 WeakPolarHBondContact OE1-CD 3.45Å; E39-K49 IonicContact OE1-NZ 2.79Å; E39-K49 PolarHBondContact OE1-NZ 2.9Å; E39-K49 WeakPolarHBondContact OE2-CD 3.49Å; E39-K49 IonicContact OE2-NZ 2.74Å; E39-K49 PolarHBondContact OE2-NZ 2.89Å
40	K	75.5	Confident	78.9	Confident	123 Å²	123	81 Å²	81	54%	0.535	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.6	172.6	-70.9	-176.8	179.4	-174.4	0	109.1	E45 E46	K40-E45 WeakPolarHBondContact CA-O 3.31Å; K40-E46 HydrophobicContact CD-CG 4.4Å; K40-E46 WeakPolarHBondContact CE-OE1 3.42Å; K40-E46 HydrophobicContact CG-CG 3.86Å; K40-E46 IonicContact NZ-OE1 3.33Å
41	D	77.6	Confident	78.9	Confident	53 Å²	53	81.3 Å²	81.3	28%	0.283	40%	0.403	S	S	.	.			trans	-77.9	178.7	173.9	78.8	-6.9	0	0	0	111.9	K43 N44 E45 Y47	D41-K43 PolarHBondContact O-N 3.19Å; D41-K43 VanDerWaalsContact OD1-C 3.26Å; D41-K43 VanDerWaalsContact OD1-CA 3.26Å; D41-K43 WeakPolarHBondContact OD1-CA 3.12Å; D41-K43 WeakPolarHBondContact OD1-CB 3.47Å; D41-K43 PolarHBondContact OD1-N 3.1Å; D41-N44 PolarHBondContact O-N 2.83Å; D41-N44 PolarHBondContact OD1-N 2.94Å; D41-N44 VanDerWaalsContact OD1-N 3.08Å; D41-E45 PolarHBondContact N-O 3.36Å; D41-E45 PolarHBondContact OD1-N 2.7Å; D41-Y47 HydrophobicContact CB-CD1 3.98Å; D41-Y47 HydrophobicContact CB-CE1 3.94Å
42	D	84.3	Confident	79.1	Confident	179 Å²	179	83.7 Å²	83.7	96%	0.957	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.5	178	-63.7	-30.5	0	0	0	113.4
43	K	81.2	Confident	79	Confident	165 Å²	165	84.1 Å²	84.1	72%	0.717	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	8.3	176.9	-62.4	-179	-178.5	173.7	0	112.9	D41 E45	D41-K43 PolarHBondContact O-N 3.19Å; D41-K43 VanDerWaalsContact OD1-C 3.26Å; D41-K43 VanDerWaalsContact OD1-CA 3.26Å; D41-K43 WeakPolarHBondContact OD1-CA 3.12Å; D41-K43 WeakPolarHBondContact OD1-CB 3.47Å; D41-K43 PolarHBondContact OD1-N 3.1Å; K43-E45 HydrophobicContact CB-CG 4.42Å; K43-E45 PolarHBondContact O-N 2.68Å
44	N	75.9	Confident	79.1	Confident	126 Å²	126	87.1 Å²	87.1	67%	0.674	42%	0.423	S	S	*	.	S	Bend	trans	62.5	18.3	-173.6	-92.1	-28.4	0	0	0	114.2	D41	D41-N44 PolarHBondContact O-N 2.83Å; D41-N44 PolarHBondContact OD1-N 2.94Å; D41-N44 VanDerWaalsContact OD1-N 3.08Å
45	E	69.4	Low	78.8	Confident	130 Å²	130	88.2 Å²	88.2	61%	0.607	43%	0.428	S	S	*	.			trans	-81.2	130.6	171.6	-66.1	-174.1	-179.1	0	0	109.8	K40 D41 K43 Y47	K40-E45 WeakPolarHBondContact CA-O 3.31Å; D41-E45 PolarHBondContact N-O 3.36Å; D41-E45 PolarHBondContact OD1-N 2.7Å; K43-E45 HydrophobicContact CB-CG 4.42Å; K43-E45 PolarHBondContact O-N 2.68Å; E45-Y47 PolarHBondContact O-N 3.46Å
46	E	71.1	Confident	78.7	Confident	134 Å²	134	93.1 Å²	93.1	63%	0.626	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.7	179.1	-72.7	178.6	-178.5	0	0	110.3	V38 E39 K40	V38-E46 HydrophobicContact CG1-CB 3.85Å; V38-E46 HydrophobicContact CG1-CG 3.96Å; E39-E46 CarbonylContact O-C 3.57Å; E39-E46 WeakPolarHBondContact O-CA 3.44Å; K40-E46 HydrophobicContact CD-CG 4.4Å; K40-E46 WeakPolarHBondContact CE-OE1 3.42Å; K40-E46 HydrophobicContact CG-CG 3.86Å; K40-E46 IonicContact NZ-OE1 3.33Å
47	Y	69.6	Low	78.9	Confident	105 Å²	105	95.5 Å²	95.5	41%	0.412	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.2	170.7	72.1	-91	0	0	0	110.9	V38 E39 D41 E45 K49	V38-Y47 WeakPolarHBondContact CA-O 3.5Å; E39-Y47 HydrophobicContact CB-CD1 4.48Å; E39-Y47 HydrophobicContact CB-CE1 3.91Å; E39-Y47 HydrophobicContact CB-CE2 3.9Å; E39-Y47 PolarHBondContact N-O 3.45Å; E39-Y47 PolarHBondContact O-N 3.07Å; E39-Y47 VanDerWaalsContact O-O 3.1Å; E39-Y47 PolarHBondContact OE2-OH 3.42Å; D41-Y47 HydrophobicContact CB-CD1 3.98Å; D41-Y47 HydrophobicContact CB-CE1 3.94Å; E45-Y47 PolarHBondContact O-N 3.46Å; Y47-K49 HydrophobicContact CE2-CB 4.12Å
48	L	69.7	Low	79.3	Confident	82 Å²	82	95.2 Å²	95.2	43%	0.429	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.6	178.9	-70.7	152.4	0	0	0	109.2	A2 E36 V38	A2-L48 HydrophobicContact CB-CD1 3.2Å; A2-L48 HydrophobicContact CB-CD2 4.01Å; A2-L48 HydrophobicContact CB-CG 4.2Å; E36-L48 HydrophobicContact CB-CD2 4.48Å; V38-L48 HydrophobicContact CG2-CD2 3.83Å
49	K	80.4	Confident	79.9	Confident	81 Å²	81	96.7 Å²	96.7	35%	0.352	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	170.6	-175.3	171.4	176	178.5	0	109.8	V37 E39 Y47 L51	V37-K49 PolarHBondContact N-O 2.72Å; V37-K49 PolarHBondContact O-N 2.86Å; E39-K49 HydrophobicContact CG-CB 4.32Å; E39-K49 HydrophobicContact CG-CD 4.26Å; E39-K49 WeakPolarHBondContact OE1-CD 3.45Å; E39-K49 IonicContact OE1-NZ 2.79Å; E39-K49 PolarHBondContact OE1-NZ 2.9Å; E39-K49 WeakPolarHBondContact OE2-CD 3.49Å; E39-K49 IonicContact OE2-NZ 2.74Å; E39-K49 PolarHBondContact OE2-NZ 2.89Å; Y47-K49 HydrophobicContact CE2-CB 4.12Å; K49-L51 HydrophobicContact CD-CD2 4.31Å; K49-L51 HydrophobicContact CG-CD2 4.32Å
50	E	83.9	Confident	80.3	Confident	96 Å²	96	94.4 Å²	94.4	45%	0.449	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	172.3	-165	174.9	124.9	0	0	108.9	V34 R52	V34-E50 HydrophobicContact CG1-CG 3.36Å; E50-R52 IonicContact OE1-CZ 3.72Å; E50-R52 IonicContact OE1-NE 3.99Å; E50-R52 PolarHBondContact OE1-NE 3.17Å; E50-R52 IonicContact OE1-NH2 3.8Å; E50-R52 PolarHBondContact OE1-NH2 2.83Å
51	L	86.7	Confident	80.6	Confident	56 Å²	56	88.6 Å²	88.6	29%	0.293	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.2	171.4	-63.4	177.8	0	0	0	108.6	V34 A35 V37 K49 F53	V34-L51 WeakPolarHBondContact CA-O 3.25Å; A35-L51 PolarHBondContact N-O 3.42Å; A35-L51 PolarHBondContact O-N 2.87Å; V37-L51 HydrophobicContact CB-CD1 4.4Å; V37-L51 HydrophobicContact CG2-CD1 3.54Å; V37-L51 HydrophobicContact CG2-CG 4.2Å; K49-L51 HydrophobicContact CD-CD2 4.31Å; K49-L51 HydrophobicContact CG-CD2 4.32Å; L51-F53 HydrophobicContact CB-CE2 3.6Å; L51-F53 HydrophobicContact CB-CZ 3.77Å; L51-F53 HydrophobicContact CD1-CZ 4.12Å
52	R	89.9	Confident	80.7	Confident	113 Å²	113	92.7 Å²	92.7	43%	0.426	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132	179.7	-69.5	177.7	166.3	-99.2	-6.4	109.7	D27 E32 L33 V34 E50	D27-R52 IonicContact OD2-CZ 3.99Å; D27-R52 IonicContact OD2-NH1 2.86Å; D27-R52 PolarHBondContact OD2-NH1 3.16Å; D27-R52 VanDerWaalsContact OD2-NH1 3.1Å; D27-R52 IonicContact OD2-NH2 2.68Å; E32-R52 WeakPolarHBondContact OE2-CD 3.47Å; E32-R52 IonicContact OE2-CZ 2.66Å; E32-R52 IonicContact OE2-NE 3.74Å; E32-R52 IonicContact OE2-NH1 3.48Å; E32-R52 PolarHBondContact OE2-NH1 3.32Å; L33-R52 CarbonylContact O-C 3.47Å; L33-R52 WeakPolarHBondContact O-CA 3.26Å; V34-R52 HydrophobicContact CG2-CG 4.34Å; E50-R52 IonicContact OE1-CZ 3.72Å; E50-R52 IonicContact OE1-NE 3.99Å; E50-R52 PolarHBondContact OE1-NE 3.17Å; E50-R52 IonicContact OE1-NH2 3.8Å; E50-R52 PolarHBondContact OE1-NH2 2.83Å
53	F	89.7	Confident	80.4	Confident	64 Å²	64	85.4 Å²	85.4	28%	0.281	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.1	178	-50.2	-88.3	0	0	0	109	Y24 E32 L33 A35 L51 M55	Y24-F53 HydrophobicContact CE1-CE2 4.48Å; E32-F53 CarbonylContact C-O 3.4Å; E32-F53 WeakPolarHBondContact CA-O 3.45Å; E32-F53 WeakPolarHBondContact CB-O 3.32Å; L33-F53 HydrophobicContact CB-CB 4.39Å; L33-F53 PolarHBondContact N-O 3.47Å; L33-F53 PolarHBondContact O-N 2.76Å; A35-F53 HydrophobicContact CB-CE2 4.46Å; L51-F53 HydrophobicContact CB-CE2 3.6Å; L51-F53 HydrophobicContact CB-CZ 3.77Å; L51-F53 HydrophobicContact CD1-CZ 4.12Å; F53-M55 PolarHBondContact O-N 3.09Å
54	P	89	Confident	80.3	Confident	67 Å²	67	78 Å²	78	44%	0.435	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.7	137.6	167	-26.1	29.3	0	0	0	112.6	T56 E57	P54-T56 PolarHBondContact O-N 2.85Å; P54-E57 HydrophobicContact CB-CB 4.29Å; P54-E57 VanDerWaalsContact CD-OE2 3.22Å; P54-E57 WeakPolarHBondContact CD-OE2 3.33Å; P54-E57 VanDerWaalsContact O-CB 3.27Å; P54-E57 WeakPolarHBondContact O-CB 3.15Å; P54-E57 PolarHBondContact O-N 2.81Å
55	M	82	Confident	80.4	Confident	36 Å²	36	74.7 Å²	74.7	18%	0.177	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	-176.6	-177.1	178.4	72.9	0	0	113.8	I26 S31 F53 G61 A64	I26-M55 HydrophobicContact CG2-SD 3.88Å; S31-M55 WeakPolarHBondContact O-CB 3.47Å; S31-M55 PolarHBondContact O-N 2.82Å; F53-M55 PolarHBondContact O-N 3.09Å; M55-G61 CarbonylContact O-C 3.2Å; M55-G61 WeakPolarHBondContact O-CA 3.27Å; M55-A64 HydrophobicContact CG-CB 4.05Å
56	T	84	Confident	80.7	Confident	110 Å²	110	71.2 Å²	71.2	68%	0.675	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	3.9	178	57.8	0	0	0	0	113.5	P54	P54-T56 PolarHBondContact O-N 2.85Å
57	E	83	Confident	80.5	Confident	103 Å²	103	66.9 Å²	66.9	48%	0.481	37%	0.372	S	S	.	.	S	Bend	trans	-82.8	125.7	-174.3	-167.1	171.5	146.1	0	0	112.3	P54 G61	P54-E57 HydrophobicContact CB-CB 4.29Å; P54-E57 VanDerWaalsContact CD-OE2 3.22Å; P54-E57 WeakPolarHBondContact CD-OE2 3.33Å; P54-E57 VanDerWaalsContact O-CB 3.27Å; P54-E57 WeakPolarHBondContact O-CB 3.15Å; P54-E57 PolarHBondContact O-N 2.81Å; E57-G61 WeakPolarHBondContact O-CA 3.14Å; E57-G61 PolarHBondContact O-N 2.99Å; E57-G61 VanDerWaalsContact O-N 3.11Å
58	G	81.5	Confident	80	Confident	53 Å²	53	67.5 Å²	67.5	55%	0.546	38%	0.382	S	S	.	.	H	α-helix	trans	69.1	-173.8	175.3	0	0	0	0	0	114.8	V60 G61 Q62	G58-V60 VanDerWaalsContact C-N 3.31Å; G58-V60 PolarHBondContact O-N 2.82Å; G58-G61 PolarHBondContact O-N 3.42Å; G58-Q62 PolarHBondContact O-N 3.39Å
59	V	80.2	Confident	79.1	Confident	94 Å²	94	70.4 Å²	70.4	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-62.3	-40.7	-178.9	-180	0	0	0	0	111.2	G61 Q62 V63	V59-G61 VanDerWaalsContact C-N 3.32Å; V59-G61 PolarHBondContact O-N 2.83Å; V59-Q62 PolarHBondContact O-N 3.04Å; V59-V63 WeakPolarHBondContact O-CG2 3.2Å; V59-V63 PolarHBondContact O-N 3.45Å; V59-V63 VanDerWaalsContact O-N 3.11Å
60	V	81.8	Confident	77.2	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.079	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-43.3	176.6	179.8	0	0	0	0	110.6	Y24 L33 G58 V63 A64 V86 Q88	Y24-V60 HydrophobicContact CD1-CG1 4.23Å; Y24-V60 HydrophobicContact CD2-CB 4.42Å; Y24-V60 HydrophobicContact CD2-CG1 3.59Å; Y24-V60 HydrophobicContact CD2-CG2 4.01Å; Y24-V60 HydrophobicContact CE2-CG1 4.19Å; Y24-V60 HydrophobicContact CE2-CG2 3.79Å; Y24-V60 HydrophobicContact CG-CG1 3.62Å; L33-V60 HydrophobicContact CD1-CB 4.1Å; L33-V60 HydrophobicContact CD1-CG1 3.67Å; L33-V60 HydrophobicContact CD2-CG1 4.14Å; G58-V60 VanDerWaalsContact C-N 3.31Å; G58-V60 PolarHBondContact O-N 2.82Å; V60-V63 PolarHBondContact O-N 2.79Å; V60-A64 WeakPolarHBondContact O-CB 3.46Å; V60-A64 PolarHBondContact O-N 2.96Å; V60-V86 HydrophobicContact CG1-CB 3.82Å; V60-V86 HydrophobicContact CG1-CG1 3.83Å; V60-V86 HydrophobicContact CG1-CG2 4.27Å; V60-Q88 HydrophobicContact CG2-CB 4.45Å
61	G	81.8	Confident	74.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67.2	-37.2	178.3	0	0	0	0	0	113.4	M55 E57 G58 V59 V63 A64 A65	M55-G61 CarbonylContact O-C 3.2Å; M55-G61 WeakPolarHBondContact O-CA 3.27Å; E57-G61 WeakPolarHBondContact O-CA 3.14Å; E57-G61 PolarHBondContact O-N 2.99Å; E57-G61 VanDerWaalsContact O-N 3.11Å; G58-G61 PolarHBondContact O-N 3.42Å; V59-G61 VanDerWaalsContact C-N 3.32Å; V59-G61 PolarHBondContact O-N 2.83Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 3.21Å; G61-A64 PolarHBondContact O-N 2.77Å; G61-A65 VanDerWaalsContact O-CB 3.3Å; G61-A65 WeakPolarHBondContact O-CB 3.41Å; G61-A65 PolarHBondContact O-N 2.82Å
62	Q	79.5	Confident	72	Confident	140 Å²	140	71.1 Å²	71.1	65%	0.654	41%	0.414	S	S	*	.	H	α-helix	trans	-60.3	-43.9	173.1	-171.2	174.9	-5.7	0	0	111.6	G58 V59 A65 S66	G58-Q62 PolarHBondContact O-N 3.39Å; V59-Q62 PolarHBondContact O-N 3.04Å; Q62-A65 PolarHBondContact O-N 3.19Å; Q62-S66 WeakPolarHBondContact O-CB 3.35Å; Q62-S66 PolarHBondContact O-N 3.44Å; Q62-S66 PolarHBondContact O-OG 2.68Å
63	V	78.1	Confident	69.1	Low	25 Å²	25	73.7 Å²	73.7	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-62.8	-44.7	174.7	175.3	0	0	0	0	111.8	V59 V60 G61 A65 G67 A70 V86	V59-V63 WeakPolarHBondContact O-CG2 3.2Å; V59-V63 PolarHBondContact O-N 3.45Å; V59-V63 VanDerWaalsContact O-N 3.11Å; V60-V63 PolarHBondContact O-N 2.79Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 3.21Å; V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 3.08Å; V63-G67 PolarHBondContact O-N 3.06Å; V63-A70 HydrophobicContact CG2-CB 3.19Å; V63-V86 HydrophobicContact CB-CG1 4.38Å; V63-V86 HydrophobicContact CB-CG2 4.47Å; V63-V86 HydrophobicContact CG1-CG1 4.08Å; V63-V86 HydrophobicContact CG1-CG2 4.07Å
64	A	79.4	Confident	65.9	Low	9 Å²	9	77 Å²	77	7%	0.074	45%	0.449	C	S	.	.	H	α-helix	trans	-61.5	-39.7	179	0	0	0	0	0	112	I26 L33 M55 V60 G61 V86	I26-A64 HydrophobicContact CD1-CB 3.59Å; I26-A64 HydrophobicContact CG1-CB 4.04Å; L33-A64 HydrophobicContact CD2-CB 3.91Å; M55-A64 HydrophobicContact CG-CB 4.05Å; V60-A64 WeakPolarHBondContact O-CB 3.46Å; V60-A64 PolarHBondContact O-N 2.96Å; G61-A64 PolarHBondContact O-N 2.77Å; A64-V86 HydrophobicContact CB-CG2 4.12Å
65	A	78.4	Confident	62.7	Low	58 Å²	58	79.7 Å²	79.7	48%	0.479	46%	0.459	S	S	.	.	H	α-helix	trans	-80.2	-38.7	-178.2	0	0	0	0	0	113.6	G61 Q62 V63	G61-A65 VanDerWaalsContact O-CB 3.3Å; G61-A65 WeakPolarHBondContact O-CB 3.41Å; G61-A65 PolarHBondContact O-N 2.82Å; Q62-A65 PolarHBondContact O-N 3.19Å; V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 3.08Å
66	S	74.6	Confident	60	Low	56 Å²	56	85 Å²	85	39%	0.392	48%	0.484	S	S	.	.	H	α-helix	trans	-77.8	-30.9	-179.9	62.3	0	0	0	0	112.4	Q62 D68	Q62-S66 WeakPolarHBondContact O-CB 3.35Å; Q62-S66 PolarHBondContact O-N 3.44Å; Q62-S66 PolarHBondContact O-OG 2.68Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 VanDerWaalsContact O-N 3.1Å; S66-D68 WeakPolarHBondContact OG-CB 3.14Å; S66-D68 PolarHBondContact OG-N 2.9Å; S66-D68 PolarHBondContact OG-O 3.44Å
67	G	66.3	Low	57.3	Low	44 Å²	44	87.5 Å²	87.5	45%	0.454	49%	0.487	S	S	.	.			trans	67.8	-6.4	-162.1	0	0	0	0	0	113.3	V63 R69	V63-G67 PolarHBondContact O-N 3.06Å; G67-R69 PolarHBondContact O-N 3.4Å
68	D	59.3	Low	54.7	Low	117 Å²	117	88.8 Å²	88.8	63%	0.626	50%	0.502	S	S	*	.			trans	-73.6	121.6	174.8	-66.1	-36.2	0	0	0	107.7	S66 A70	S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 VanDerWaalsContact O-N 3.1Å; S66-D68 WeakPolarHBondContact OG-CB 3.14Å; S66-D68 PolarHBondContact OG-N 2.9Å; S66-D68 PolarHBondContact OG-O 3.44Å; D68-A70 PolarHBondContact O-N 3.33Å
69	R	51.8	Low	52.1	Low	143 Å²	143	92.3 Å²	92.3	54%	0.54	51%	0.513	S	S	.	.			trans	-52.4	104.2	168.5	-60.5	176	-178.7	-171.6	-4.6	107.2	G67 T71 E107	G67-R69 PolarHBondContact O-N 3.4Å; R69-T71 PolarHBondContact O-N 3.03Å; R69-E107 IonicContact CZ-OE1 3.73Å; R69-E107 IonicContact NH1-OE1 3.98Å; R69-E107 PolarHBondContact NH1-OE1 3.32Å; R69-E107 IonicContact NH1-OE2 3.22Å; R69-E107 IonicContact NH2-OE1 3.77Å; R69-E107 PolarHBondContact NH2-OE1 2.85Å
70	A	40.7	Very low	50	Low	64 Å²	64	93.4 Å²	93.4	53%	0.529	51%	0.514	S	S	.	.	S	Bend	trans	-77.9	54.7	163.4	0	0	0	0	0	109.7	V63 D68	V63-A70 HydrophobicContact CG2-CB 3.19Å; D68-A70 PolarHBondContact O-N 3.33Å
71	T	33.8	Very low	48.3	Very low	86 Å²	86	97.1 Å²	97.1	53%	0.528	54%	0.541	S	S	.	.	S	Bend	trans	-133.8	99.2	142.8	-33.8	0	0	0	0	103.7	R69 F73 E103	R69-T71 PolarHBondContact O-N 3.03Å; T71-F73 PolarHBondContact O-N 2.75Å; T71-E103 HydrophobicContact CG2-CG 4.43Å
72	V	27.8	Very low	47.6	Very low	99 Å²	99	102.9 Å²	102.9	60%	0.6	57%	0.568	S	S	*	*			trans	12.9	98.4	147.1	176.2	0	0	0	0	114
73	F	28.7	Very low	47.3	Very low	167 Å²	167	98.1 Å²	98.1	73%	0.732	55%	0.549	S	S	*	.			trans	86.6	125.6	151.6	-64.6	-57.8	0	0	0	123.4	T71	T71-F73 PolarHBondContact O-N 2.75Å
74	L	22.4	Very low	47.3	Very low	133 Å²	133	99.4 Å²	99.4	70%	0.696	55%	0.554	S	S	*	*			trans	88.8	116.2	135.4	-66.3	164	0	0	0	122
75	D	22.3	Very low	47.4	Very low	123 Å²	123	100 Å²	100	66%	0.658	56%	0.559	S	S	*	*			trans	72.6	127.8	141.6	-84.5	-24.5	0	0	0	124.8
76	E	24.3	Very low	47.7	Very low	149 Å²	149	97.9 Å²	97.9	70%	0.696	54%	0.54	S	S	*	.			trans	63.5	107.6	149	-65.3	-167.8	172.2	0	0	122.1
77	H	26.9	Very low	48.2	Very low	161 Å²	161	97.5 Å²	97.5	75%	0.745	53%	0.533	S	S	*	.			trans	61.6	83.5	139.4	-64.3	-67.3	0	0	0	120.2
78	V	28.4	Very low	49.1	Very low	130 Å²	130	97.7 Å²	97.7	79%	0.788	52%	0.522	S	S	*	.				-151.4	98.1	116.6	179.5	0	0	0	0	107.3	L80	V78-L80 HydrophobicContact CG1-CG 4.4Å; V78-L80 PolarHBondContact O-N 2.59Å
79	V	28	Very low	50.3	Low	128 Å²	128	93.8 Å²	93.8	78%	0.776	50%	0.501	S	S	*	.			trans	-76.3	90.6	171	-177.4	0	0	0	0	107.7	S81	V79-S81 PolarHBondContact O-N 2.72Å
80	L	35.9	Very low	51.9	Low	116 Å²	116	89.9 Å²	89.9	61%	0.607	49%	0.49	S	S	*	.			trans	-70.8	112.4	148.3	-70.3	170.4	0	0	0	104.5	V78 H82 A114	V78-L80 HydrophobicContact CG1-CG 4.4Å; V78-L80 PolarHBondContact O-N 2.59Å; L80-H82 PolarHBondContact O-N 3.1Å; L80-A114 HydrophobicContact CD1-CB 4.45Å
81	S	46.2	Very low	53.9	Low	92 Å²	92	91.5 Å²	91.5	64%	0.643	49%	0.49	S	S	*	.	S	Bend	trans	-59.7	-5	-170.1	58.6	0	0	0	0	115.2	V79	V79-S81 PolarHBondContact O-N 2.72Å
82	H	66.8	Low	56.3	Low	120 Å²	120	89.2 Å²	89.2	56%	0.556	47%	0.473	S	S	*	.	S	Bend	trans	-141.2	134.3	175.4	-59.7	-68.8	0	0	0	110.7	L80 I84	L80-H82 PolarHBondContact O-N 3.1Å; H82-I84 PolarHBondContact O-N 2.76Å
83	V	73.5	Confident	59	Low	41 Å²	41	88 Å²	88	25%	0.248	46%	0.463	C	S	.	.			trans	-65.9	127.1	168.5	-170.9	0	0	0	0	108.2	I26 Q28 A85 V86	I26-V83 HydrophobicContact CD1-CB 3.65Å; I26-V83 HydrophobicContact CD1-CG1 3.47Å; I26-V83 VanDerWaalsContact CD1-CG1 3.47Å; I26-V83 VanDerWaalsContact CD1-O 3.31Å; I26-V83 WeakPolarHBondContact CD1-O 3.47Å; Q28-V83 PolarHBondContact NE2-O 2.96Å; V83-A85 WeakPolarHBondContact CG1-O 3.26Å; V83-V86 HydrophobicContact CG1-CG2 4.12Å
84	I	78.3	Confident	61.7	Low	51 Å²	51	87.5 Å²	87.5	26%	0.262	47%	0.468	S	S	.	.			trans	-98.8	-27.6	179.7	53	169.8	0	0	0	112.9	I26 H82 A114 I117	I26-I84 PolarHBondContact N-O 2.84Å; I26-I84 VanDerWaalsContact N-O 3.09Å; H82-I84 PolarHBondContact O-N 2.76Å; I84-A114 HydrophobicContact CD1-CB 3.89Å; I84-A114 WeakPolarHBondContact CD1-O 3.38Å; I84-I117 HydrophobicContact CD1-CB 4.42Å; I84-I117 HydrophobicContact CD1-CG2 4.32Å
85	A	81.7	Confident	64.5	Low	22 Å²	22	84.4 Å²	84.4	18%	0.182	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	157.2	178.9	0	0	0	0	0	110.6	L23 Y24 L25 V83 I117	L23-A85 HydrophobicContact CD1-CB 3.92Å; Y24-A85 CarbonylContact O-C 3.58Å; Y24-A85 WeakPolarHBondContact O-CA 3.15Å; Y24-A85 WeakPolarHBondContact O-CB 3.34Å; L25-A85 HydrophobicContact CD2-CB 3.91Å; V83-A85 WeakPolarHBondContact CG1-O 3.26Å; A85-I117 HydrophobicContact CB-CD1 3.7Å
86	V	84.1	Confident	67.3	Low	14 Å²	14	87.1 Å²	87.1	9%	0.085	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	174.5	-177.8	0	0	0	0	108.7	L23 Y24 I26 V60 V63 A64 V83	L23-V86 WeakPolarHBondContact CA-O 3.43Å; Y24-V86 PolarHBondContact N-O 2.89Å; Y24-V86 PolarHBondContact O-N 3.15Å; I26-V86 HydrophobicContact CD1-CG2 4.33Å; V60-V86 HydrophobicContact CG1-CB 3.82Å; V60-V86 HydrophobicContact CG1-CG1 3.83Å; V60-V86 HydrophobicContact CG1-CG2 4.27Å; V63-V86 HydrophobicContact CB-CG1 4.38Å; V63-V86 HydrophobicContact CB-CG2 4.47Å; V63-V86 HydrophobicContact CG1-CG1 4.08Å; V63-V86 HydrophobicContact CG1-CG2 4.07Å; A64-V86 HydrophobicContact CB-CG2 4.12Å; V83-V86 HydrophobicContact CG1-CG2 4.12Å
87	I	84.6	Confident	70.1	Confident	48 Å²	48	84 Å²	84	25%	0.246	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.4	170.6	-64.2	170.2	0	0	0	107.7	I8 A22 L23 L89 C113	I8-I87 HydrophobicContact CG2-CD1 4.01Å; A22-I87 WeakPolarHBondContact O-CA 3.36Å; L23-I87 HydrophobicContact CD1-CB 4.45Å; L23-I87 HydrophobicContact CD1-CD1 4.09Å; L23-I87 HydrophobicContact CD1-CG1 3.27Å; I87-L89 HydrophobicContact CG2-CD2 4.43Å; I87-L89 HydrophobicContact CG2-CG 4.29Å; I87-C113 HydrophobicContact CD1-CB 3.91Å
88	Q	85.5	Confident	72.9	Confident	47 Å²	47	79.7 Å²	79.7	22%	0.22	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.9	174.4	-168.7	-179.6	29.1	0	0	109.3	C21 A22 Y24 V60 L90	C21-Q88 VanDerWaalsContact CA-O 3.25Å; C21-Q88 WeakPolarHBondContact CA-O 3.21Å; A22-Q88 PolarHBondContact N-O 3.42Å; A22-Q88 PolarHBondContact O-N 3.49Å; Y24-Q88 HydrophobicContact CE2-CB 4.2Å; V60-Q88 HydrophobicContact CG2-CB 4.45Å; Q88-L90 HydrophobicContact CG-CD2 3.92Å; Q88-L90 HydrophobicContact CG-CG 4Å
89	L	85.5	Confident	75.6	Confident	35 Å²	35	76 Å²	76	18%	0.183	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.8	171.3	-62	170.6	0	0	0	107.8	A12 I16 S18 C21 I87 Y98	A12-L89 HydrophobicContact CB-CD2 4.28Å; I16-L89 HydrophobicContact CB-CD1 4.06Å; I16-L89 HydrophobicContact CD1-CD1 3.77Å; I16-L89 HydrophobicContact CG2-CD1 4.03Å; S18-L89 WeakPolarHBondContact OG-CD2 3.5Å; C21-L89 HydrophobicContact CB-CD2 3.79Å; C21-L89 VanDerWaalsContact SG-CD2 3.52Å; I87-L89 HydrophobicContact CG2-CD2 4.43Å; I87-L89 HydrophobicContact CG2-CG 4.29Å; L89-Y98 HydrophobicContact CB-CE1 4.35Å; L89-Y98 PolarHBondContact O-OH 2.82Å
90	L	83.9	Confident	78.4	Confident	61 Å²	61	74.3 Å²	74.3	32%	0.319	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.5	-180	-58.4	173.2	0	0	0	110.6	Q19 E20 Q88	Q19-L90 PolarHBondContact N-O 3.06Å; Q19-L90 VanDerWaalsContact N-O 3.14Å; E20-L90 HydrophobicContact CB-CB 4.15Å; E20-L90 HydrophobicContact CB-CD1 4.43Å; E20-L90 PolarHBondContact N-O 3.49Å; E20-L90 VanDerWaalsContact N-O 3.15Å; E20-L90 PolarHBondContact O-N 3.38Å; Q88-L90 HydrophobicContact CG-CD2 3.92Å; Q88-L90 HydrophobicContact CG-CG 4Å
91	N	82.5	Confident	80.8	Confident	99 Å²	99	76 Å²	76	53%	0.529	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.9	98.1	177.6	-54.5	-23.3	0	0	0	112.7	S18 Q19 I93	S18-N91 CarbonylContact C-O 3.56Å; S18-N91 WeakPolarHBondContact CA-O 3.21Å; Q19-N91 HydrophobicContact CB-CB 3.87Å; Q19-N91 PolarHBondContact N-O 3.35Å; Q19-N91 PolarHBondContact OE1-ND2 2.81Å; N91-I93 PolarHBondContact O-N 3.33Å
92	K	86	Confident	82.7	Confident	37 Å²	37	72.1 Å²	72.1	16%	0.161	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	136.8	173.3	-175.7	70.4	-166	-176.2	0	109.9	I16 P17 T95 Y98 D102	I16-K92 HydrophobicContact CG2-CD 4.42Å; P17-K92 WeakPolarHBondContact O-CD 3.48Å; K92-T95 WeakPolarHBondContact CG-OG1 3.39Å; K92-Y98 HydrophobicContact CB-CD1 4.18Å; K92-Y98 HydrophobicContact CB-CD2 4.3Å; K92-Y98 HydrophobicContact CB-CE1 3.97Å; K92-Y98 HydrophobicContact CB-CE2 4.1Å; K92-Y98 HydrophobicContact CB-CG 4.33Å; K92-Y98 HydrophobicContact CD-CD1 3.63Å; K92-Y98 HydrophobicContact CD-CE1 3.6Å; K92-Y98 HydrophobicContact CD-CG 4.43Å; K92-Y98 HydrophobicContact CG-CD1 4.3Å; K92-Y98 HydrophobicContact CG-CE1 4.32Å; K92-Y98 PolarHBondContact N-OH 2.83Å; K92-D102 IonicContact NZ-OD1 3.48Å; K92-D102 PolarHBondContact NZ-OD1 3.31Å; K92-D102 IonicContact NZ-OD2 3.05Å
93	I	84.3	Confident	83.4	Confident	75 Å²	75	69.7 Å²	69.7	39%	0.385	37%	0.37	S	S	.	.	S	Bend	trans	-86.9	142	173.4	-59.1	173.5	0	0	0	107.8	P17 N91 T95	P17-I93 HydrophobicContact CB-CB 3.87Å; P17-I93 HydrophobicContact CB-CD1 4.42Å; P17-I93 HydrophobicContact CB-CG1 4.49Å; P17-I93 PolarHBondContact O-N 3.48Å; N91-I93 PolarHBondContact O-N 3.33Å; I93-T95 VanDerWaalsContact C-N 3.27Å; I93-T95 PolarHBondContact O-N 3.17Å
94	D	83.9	Confident	84	Confident	156 Å²	156	73.8 Å²	73.8	83%	0.834	39%	0.387	S	S	*	.	S	Bend	trans	75.2	-20.4	-179.7	-50.3	-44.1	0	0	0	117.1
95	T	80.9	Confident	84.3	Confident	67 Å²	67	72.8 Å²	72.8	41%	0.411	38%	0.382	S	S	.	.	S	Bend	trans	-133.8	153.7	178	61	0	0	0	0	112.8	K92 I93 C97	K92-T95 WeakPolarHBondContact CG-OG1 3.39Å; I93-T95 VanDerWaalsContact C-N 3.27Å; I93-T95 PolarHBondContact O-N 3.17Å; T95-C97 VanDerWaalsContact C-N 3.25Å; T95-C97 PolarHBondContact O-N 3.48Å; T95-C97 PolarHBondContact OG1-O 3.38Å
96	D	81.8	Confident	84.4	Confident	180 Å²	180	73.3 Å²	73.3	96%	0.963	39%	0.386	S	S	*	.	S	Bend	trans	-72	-16.2	-178.4	-64.7	-29.9	0	0	0	113.7
97	C	83.6	Confident	84.1	Confident	85 Å²	85	75.9 Å²	75.9	57%	0.574	40%	0.397	S	S	*	.	S	Bend	trans	-147.1	159.2	-179.8	61	0	0	0	0	112.4	T95	T95-C97 VanDerWaalsContact C-N 3.25Å; T95-C97 PolarHBondContact O-N 3.48Å; T95-C97 PolarHBondContact OG1-O 3.38Å
98	Y	84.9	Confident	84.1	Confident	69 Å²	69	78.1 Å²	78.1	27%	0.271	41%	0.409	S	S	.	.			trans	-73.7	138.3	167.8	-68.5	-84.6	0	0	0	109.9	I16 S18 L89 K92 D102	I16-Y98 HydrophobicContact CG2-CD1 3.94Å; I16-Y98 HydrophobicContact CG2-CE1 3.64Å; S18-Y98 WeakPolarHBondContact CB-OH 3.35Å; L89-Y98 HydrophobicContact CB-CE1 4.35Å; L89-Y98 PolarHBondContact O-OH 2.82Å; K92-Y98 HydrophobicContact CB-CD1 4.18Å; K92-Y98 HydrophobicContact CB-CD2 4.3Å; K92-Y98 HydrophobicContact CB-CE1 3.97Å; K92-Y98 HydrophobicContact CB-CE2 4.1Å; K92-Y98 HydrophobicContact CB-CG 4.33Å; K92-Y98 HydrophobicContact CD-CD1 3.63Å; K92-Y98 HydrophobicContact CD-CE1 3.6Å; K92-Y98 HydrophobicContact CD-CG 4.43Å; K92-Y98 HydrophobicContact CG-CD1 4.3Å; K92-Y98 HydrophobicContact CG-CE1 4.32Å; K92-Y98 PolarHBondContact N-OH 2.83Å; Y98-D102 HydrophobicContact CD1-CB 4.13Å
99	T	86.7	Confident	84	Confident	52 Å²	52	76.9 Å²	76.9	32%	0.319	40%	0.404	S	S	.	.			trans	-92.7	161.7	-179.5	66.4	0	0	0	0	111.6	Y101 D102 E103	T99-Y101 PolarHBondContact O-N 3.37Å; T99-Y101 VanDerWaalsContact O-N 3.1Å; T99-Y101 PolarHBondContact OG1-N 2.85Å; T99-D102 WeakPolarHBondContact CB-OD2 2.95Å; T99-D102 PolarHBondContact N-OD2 3.23Å; T99-D102 WeakPolarHBondContact O-CA 3.21Å; T99-D102 WeakPolarHBondContact O-CB 3.5Å; T99-D102 PolarHBondContact O-N 3.09Å; T99-D102 PolarHBondContact OG1-N 3.24Å; T99-D102 PolarHBondContact OG1-OD2 2.94Å; T99-E103 PolarHBondContact O-N 3.2Å; T99-E103 VanDerWaalsContact O-N 3.07Å
100	P	86	Confident	83.8	Confident	93 Å²	93	77.7 Å²	77.7	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-57	-24.8	171	-26.5	35.5	0	0	0	114	Q104	P100-Q104 WeakPolarHBondContact O-CG 3.42Å; P100-Q104 PolarHBondContact O-N 2.96Å
101	Y	86.8	Confident	83.6	Confident	151 Å²	151	77.7 Å²	77.7	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-72.6	-39.6	172.9	-179.8	-106.2	0	0	0	112	T99 E103 Q104 L105	T99-Y101 PolarHBondContact O-N 3.37Å; T99-Y101 VanDerWaalsContact O-N 3.1Å; T99-Y101 PolarHBondContact OG1-N 2.85Å; Y101-E103 VanDerWaalsContact C-N 3.25Å; Y101-E103 PolarHBondContact O-N 3.21Å; Y101-Q104 PolarHBondContact O-N 2.8Å; Y101-L105 HydrophobicContact CD1-CD1 4Å; Y101-L105 HydrophobicContact CD1-CG 4.46Å; Y101-L105 HydrophobicContact CE1-CD1 3.48Å; Y101-L105 VanDerWaalsContact CE1-CD1 3.48Å; Y101-L105 HydrophobicContact CE1-CG 4.06Å; Y101-L105 WeakPolarHBondContact O-CG 3.19Å; Y101-L105 PolarHBondContact O-N 2.86Å
102	D	85.3	Confident	83.6	Confident	12 Å²	12	80.1 Å²	80.1	6%	0.064	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-37.2	172.4	-63.4	-65.6	0	0	0	111.3	I16 K92 Y98 T99 L105 A106	I16-D102 WeakPolarHBondContact CD1-O 3.32Å; I16-D102 HydrophobicContact CG2-CB 4.23Å; K92-D102 IonicContact NZ-OD1 3.48Å; K92-D102 PolarHBondContact NZ-OD1 3.31Å; K92-D102 IonicContact NZ-OD2 3.05Å; Y98-D102 HydrophobicContact CD1-CB 4.13Å; T99-D102 WeakPolarHBondContact CB-OD2 2.95Å; T99-D102 PolarHBondContact N-OD2 3.23Å; T99-D102 WeakPolarHBondContact O-CA 3.21Å; T99-D102 WeakPolarHBondContact O-CB 3.5Å; T99-D102 PolarHBondContact O-N 3.09Å; T99-D102 PolarHBondContact OG1-N 3.24Å; T99-D102 PolarHBondContact OG1-OD2 2.94Å; D102-L105 PolarHBondContact O-N 3.36Å; D102-A106 WeakPolarHBondContact O-CB 3.34Å; D102-A106 PolarHBondContact O-N 3.31Å
103	E	82.5	Confident	83.4	Confident	68 Å²	68	78.7 Å²	78.7	32%	0.318	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-45.2	176	-68	171.7	172.5	0	0	111.7	T71 T99 Y101 L105 A106 E107	T71-E103 HydrophobicContact CG2-CG 4.43Å; T99-E103 PolarHBondContact O-N 3.2Å; T99-E103 VanDerWaalsContact O-N 3.07Å; Y101-E103 VanDerWaalsContact C-N 3.25Å; Y101-E103 PolarHBondContact O-N 3.21Å; E103-L105 PolarHBondContact O-N 3.19Å; E103-A106 WeakPolarHBondContact O-CB 3.49Å; E103-A106 PolarHBondContact O-N 3.3Å; E103-E107 PolarHBondContact O-N 2.93Å
104	Q	84.8	Confident	83.3	Confident	128 Å²	128	76.1 Å²	76.1	60%	0.598	41%	0.405	S	S	*	.	H	α-helix	trans	-62	-41.1	174.5	-72.2	178.6	0.8	0	0	112.4	P100 Y101 A106 E107 L108	P100-Q104 WeakPolarHBondContact O-CG 3.42Å; P100-Q104 PolarHBondContact O-N 2.96Å; Y101-Q104 PolarHBondContact O-N 2.8Å; Q104-A106 VanDerWaalsContact C-N 3.33Å; Q104-E107 PolarHBondContact O-N 3.31Å; Q104-L108 PolarHBondContact O-N 3.31Å
105	L	85.4	Confident	83.2	Confident	30 Å²	30	73.3 Å²	73.3	16%	0.157	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-39.2	174.5	-71.3	-179.7	0	0	0	111.6	L15 I16 Y101 D102 E103 E107 L108 L109	L15-L105 HydrophobicContact CD2-CB 4.47Å; L15-L105 HydrophobicContact CD2-CD1 4.47Å; L15-L105 HydrophobicContact CD2-CD2 4Å; I16-L105 HydrophobicContact CD1-CB 4.15Å; I16-L105 HydrophobicContact CG1-CB 4.13Å; Y101-L105 HydrophobicContact CD1-CD1 4Å; Y101-L105 HydrophobicContact CD1-CG 4.46Å; Y101-L105 HydrophobicContact CE1-CD1 3.48Å; Y101-L105 VanDerWaalsContact CE1-CD1 3.48Å; Y101-L105 HydrophobicContact CE1-CG 4.06Å; Y101-L105 WeakPolarHBondContact O-CG 3.19Å; Y101-L105 PolarHBondContact O-N 2.86Å; D102-L105 PolarHBondContact O-N 3.36Å; E103-L105 PolarHBondContact O-N 3.19Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-L108 PolarHBondContact O-N 3.45Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.48Å
106	A	82.8	Confident	83.4	Confident	33 Å²	33	72.4 Å²	72.4	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-39	177.9	0	0	0	0	0	110.9	I16 D102 E103 Q104 L109 S110	I16-A106 HydrophobicContact CD1-CB 3.61Å; D102-A106 WeakPolarHBondContact O-CB 3.34Å; D102-A106 PolarHBondContact O-N 3.31Å; E103-A106 WeakPolarHBondContact O-CB 3.49Å; E103-A106 PolarHBondContact O-N 3.3Å; Q104-A106 VanDerWaalsContact C-N 3.33Å; A106-L109 PolarHBondContact O-N 2.86Å; A106-S110 VanDerWaalsContact O-CB 3.26Å; A106-S110 WeakPolarHBondContact O-CB 3.5Å; A106-S110 PolarHBondContact O-N 3.03Å
107	E	79.4	Confident	83.5	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-48.9	175.4	179.2	167.5	-141.5	0	0	111.9	R69 E103 Q104 L105 L109 S110 S111	R69-E107 IonicContact CZ-OE1 3.73Å; R69-E107 IonicContact NH1-OE1 3.98Å; R69-E107 PolarHBondContact NH1-OE1 3.32Å; R69-E107 IonicContact NH1-OE2 3.22Å; R69-E107 IonicContact NH2-OE1 3.77Å; R69-E107 PolarHBondContact NH2-OE1 2.85Å; E103-E107 PolarHBondContact O-N 2.93Å; Q104-E107 PolarHBondContact O-N 3.31Å; L105-E107 VanDerWaalsContact C-N 3.32Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.91Å; E107-S110 PolarHBondContact O-N 3.28Å; E107-S110 PolarHBondContact O-OG 2.87Å; E107-S111 PolarHBondContact O-N 3.32Å; E107-S111 VanDerWaalsContact O-N 3.08Å; E107-S111 PolarHBondContact O-OG 3.44Å
108	L	83.1	Confident	83.4	Confident	95 Å²	95	62.7 Å²	62.7	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-47.1	176.5	-175.2	65.4	0	0	0	110.9	Q104 L105 S110 S111 Y112	Q104-L108 PolarHBondContact O-N 3.31Å; L105-L108 PolarHBondContact O-N 3.45Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 2.89Å; L108-S111 WeakPolarHBondContact O-CB 3.25Å; L108-S111 PolarHBondContact O-N 3.21Å; L108-Y112 HydrophobicContact CD1-CD2 4.2Å; L108-Y112 HydrophobicContact CD1-CE2 3.63Å; L108-Y112 HydrophobicContact CD2-CE2 4.39Å; L108-Y112 HydrophobicContact CG-CD2 4.06Å; L108-Y112 HydrophobicContact CG-CE2 3.78Å; L108-Y112 WeakPolarHBondContact O-CD2 3.34Å; L108-Y112 PolarHBondContact O-N 3.48Å
109	L	84.1	Confident	83.4	Confident	20 Å²	20	65.1 Å²	65.1	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-44.7	176.2	176.9	69.2	0	0	0	111.5	A12 L105 A106 E107 S111 Y112 C113	A12-L109 HydrophobicContact CB-CD2 3.54Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 PolarHBondContact O-N 3.48Å; A106-L109 PolarHBondContact O-N 2.86Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.91Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 2.92Å; L109-Y112 PolarHBondContact O-N 3.18Å; L109-C113 WeakPolarHBondContact O-CB 3.19Å; L109-C113 PolarHBondContact O-N 2.85Å; L109-C113 PolarHBondContact O-SG 3.43Å
110	S	81.4	Confident	83.3	Confident	52 Å²	52	64.1 Å²	64.1	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-40.1	-179.5	76.7	0	0	0	0	111.5	A106 E107 L108 C113 A114	A106-S110 VanDerWaalsContact O-CB 3.26Å; A106-S110 WeakPolarHBondContact O-CB 3.5Å; A106-S110 PolarHBondContact O-N 3.03Å; E107-S110 PolarHBondContact O-N 3.28Å; E107-S110 PolarHBondContact O-OG 2.87Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 2.89Å; S110-C113 PolarHBondContact O-N 3.46Å; S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.44Å; S110-A114 PolarHBondContact O-N 3.37Å
111	S	79.3	Confident	83.2	Confident	62 Å²	62	62.5 Å²	62.5	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-46.7	177.1	-61.4	0	0	0	0	111.6	E107 L108 L109 A114 I115	E107-S111 PolarHBondContact O-N 3.32Å; E107-S111 VanDerWaalsContact O-N 3.08Å; E107-S111 PolarHBondContact O-OG 3.44Å; L108-S111 WeakPolarHBondContact O-CB 3.25Å; L108-S111 PolarHBondContact O-N 3.21Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 2.92Å; S111-A114 PolarHBondContact O-N 2.89Å; S111-I115 WeakPolarHBondContact O-CG1 3.38Å; S111-I115 PolarHBondContact O-N 2.83Å; S111-I115 VanDerWaalsContact O-N 3.17Å
112	Y	81.6	Confident	83.1	Confident	150 Å²	150	60.7 Å²	60.7	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-39.9	176.1	-78.7	-69.7	0	0	0	112.7	L108 L109 S116	L108-Y112 HydrophobicContact CD1-CD2 4.2Å; L108-Y112 HydrophobicContact CD1-CE2 3.63Å; L108-Y112 HydrophobicContact CD2-CE2 4.39Å; L108-Y112 HydrophobicContact CG-CD2 4.06Å; L108-Y112 HydrophobicContact CG-CE2 3.78Å; L108-Y112 WeakPolarHBondContact O-CD2 3.34Å; L108-Y112 PolarHBondContact O-N 3.48Å; L109-Y112 PolarHBondContact O-N 3.18Å; Y112-S116 WeakPolarHBondContact O-CB 3.41Å; Y112-S116 PolarHBondContact O-N 2.85Å; Y112-S116 PolarHBondContact O-OG 3.29Å
113	C	83.4	Confident	83.2	Confident	7 Å²	7	65.7 Å²	65.7	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-42.3	176.5	-67.3	0	0	0	0	110.9	I8 I87 L109 S110 I115 S116 I117	I8-C113 HydrophobicContact CD1-CB 4.18Å; I8-C113 HydrophobicContact CG2-CB 4.37Å; I8-C113 WeakPolarHBondContact CG2-SG 2.83Å; I87-C113 HydrophobicContact CD1-CB 3.91Å; L109-C113 WeakPolarHBondContact O-CB 3.19Å; L109-C113 PolarHBondContact O-N 2.85Å; L109-C113 PolarHBondContact O-SG 3.43Å; S110-C113 PolarHBondContact O-N 3.46Å; C113-I115 PolarHBondContact O-N 3.03Å; C113-S116 PolarHBondContact O-N 2.95Å; C113-I117 WeakPolarHBondContact O-CB 3.42Å; C113-I117 WeakPolarHBondContact O-CG1 3.21Å; C113-I117 PolarHBondContact O-N 2.93Å
114	A	80.8	Confident	83.3	Confident	21 Å²	21	68.8 Å²	68.8	17%	0.174	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-47.4	178.8	0	0	0	0	0	111.9	L80 I84 S110 S111 S116 S118	L80-A114 HydrophobicContact CD1-CB 4.45Å; I84-A114 HydrophobicContact CD1-CB 3.89Å; I84-A114 WeakPolarHBondContact CD1-O 3.38Å; S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.44Å; S110-A114 PolarHBondContact O-N 3.37Å; S111-A114 PolarHBondContact O-N 2.89Å; A114-S116 PolarHBondContact O-N 3.16Å; A114-S118 WeakPolarHBondContact O-CB 3.42Å; A114-S118 PolarHBondContact O-N 2.79Å
115	I	82.3	Confident	83.3	Confident	96 Å²	96	71.5 Å²	71.5	49%	0.492	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-46.2	175.8	-64.9	167.2	0	0	0	110.6	S111 C113 S118 H119	S111-I115 WeakPolarHBondContact O-CG1 3.38Å; S111-I115 PolarHBondContact O-N 2.83Å; S111-I115 VanDerWaalsContact O-N 3.17Å; C113-I115 PolarHBondContact O-N 3.03Å; I115-S118 PolarHBondContact O-N 3.04Å; I115-H119 PolarHBondContact O-N 2.86Å
116	S	84.5	Confident	83.3	Confident	48 Å²	48	75.4 Å²	75.4	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-44.8	-177.6	-57	0	0	0	0	112.3	L4 Y112 C113 A114 C120	L4-S116 WeakPolarHBondContact CD2-O 3.32Å; Y112-S116 WeakPolarHBondContact O-CB 3.41Å; Y112-S116 PolarHBondContact O-N 2.85Å; Y112-S116 PolarHBondContact O-OG 3.29Å; C113-S116 PolarHBondContact O-N 2.95Å; A114-S116 PolarHBondContact O-N 3.16Å; S116-C120 WeakPolarHBondContact O-CB 3.47Å; S116-C120 PolarHBondContact O-N 3.2Å
117	I	83.8	Confident	83.4	Confident	2 Å²	2	79 Å²	79	1%	0.01	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-46.2	176.4	-68.1	167	0	0	0	109.8	M1 L4 I8 L23 L25 I84 A85 C113 H119 C120 L121	M1-I117 HydrophobicContact CE-CB 4.34Å; M1-I117 HydrophobicContact CE-CG1 4.03Å; M1-I117 HydrophobicContact CE-CG2 3.9Å; L4-I117 HydrophobicContact CD2-CG1 4.43Å; I8-I117 HydrophobicContact CD1-CD1 4.05Å; I8-I117 HydrophobicContact CD1-CG1 3.84Å; L23-I117 HydrophobicContact CD1-CD1 4Å; L23-I117 HydrophobicContact CD2-CD1 3.91Å; L25-I117 HydrophobicContact CD2-CD1 4.19Å; L25-I117 HydrophobicContact CD2-CG2 3.93Å; I84-I117 HydrophobicContact CD1-CB 4.42Å; I84-I117 HydrophobicContact CD1-CG2 4.32Å; A85-I117 HydrophobicContact CB-CD1 3.7Å; C113-I117 WeakPolarHBondContact O-CB 3.42Å; C113-I117 WeakPolarHBondContact O-CG1 3.21Å; C113-I117 PolarHBondContact O-N 2.93Å; I117-H119 PolarHBondContact O-N 3.04Å; I117-C120 PolarHBondContact O-N 2.86Å; I117-C120 VanDerWaalsContact O-N 3.16Å; I117-L121 HydrophobicContact CG2-CD1 3.83Å; I117-L121 HydrophobicContact CG2-CG 4.21Å; I117-L121 WeakPolarHBondContact O-CB 3.36Å; I117-L121 WeakPolarHBondContact O-CG 3.26Å; I117-L121 PolarHBondContact O-N 3.49Å
118	S	82	Confident	83.7	Confident	59 Å²	59	78.7 Å²	78.7	41%	0.413	40%	0.395	S	S	.	.	H	α-helix	trans	-57.7	-48.4	178.4	-177.7	0	0	0	0	112.1	A114 I115 C120 L121 L122	A114-S118 WeakPolarHBondContact O-CB 3.42Å; A114-S118 PolarHBondContact O-N 2.79Å; I115-S118 PolarHBondContact O-N 3.04Å; S118-C120 VanDerWaalsContact C-N 3.34Å; S118-C120 PolarHBondContact O-N 2.95Å; S118-L121 PolarHBondContact O-N 2.8Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.45Å
119	H	84.8	Confident	83.6	Confident	121 Å²	121	76.5 Å²	76.5	56%	0.56	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-39.1	175.4	-72.3	163.3	0	0	0	112.7	I115 I117 L122 F123	I115-H119 PolarHBondContact O-N 2.86Å; I117-H119 PolarHBondContact O-N 3.04Å; H119-L122 PolarHBondContact O-N 2.92Å; H119-F123 VanDerWaalsContact O-CB 3.27Å; H119-F123 WeakPolarHBondContact O-CB 3.49Å; H119-F123 PolarHBondContact O-N 3.02Å
120	C	85.6	Confident	83.4	Confident	30 Å²	30	80.9 Å²	80.9	20%	0.203	41%	0.414	C	S	.	.	H	α-helix	trans	-65.7	-42.3	177.1	-163.5	0	0	0	0	111.9	M1 L4 S116 I117 S118 F123 K124	M1-C120 HydrophobicContact SD-CB 3.93Å; L4-C120 HydrophobicContact CD2-CB 3.64Å; S116-C120 WeakPolarHBondContact O-CB 3.47Å; S116-C120 PolarHBondContact O-N 3.2Å; I117-C120 PolarHBondContact O-N 2.86Å; I117-C120 VanDerWaalsContact O-N 3.16Å; S118-C120 VanDerWaalsContact C-N 3.34Å; S118-C120 PolarHBondContact O-N 2.95Å; C120-F123 PolarHBondContact O-N 2.91Å; C120-K124 WeakPolarHBondContact O-CB 3.48Å; C120-K124 PolarHBondContact O-N 3.45Å
121	L	83.4	Confident	83.2	Confident	59 Å²	59	86.1 Å²	86.1	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-65.9	-42.9	176	-70.4	176	0	0	0	111.7	I117 S118 F123 K124 R125	I117-L121 HydrophobicContact CG2-CD1 3.83Å; I117-L121 HydrophobicContact CG2-CG 4.21Å; I117-L121 WeakPolarHBondContact O-CB 3.36Å; I117-L121 WeakPolarHBondContact O-CG 3.26Å; I117-L121 PolarHBondContact O-N 3.49Å; S118-L121 PolarHBondContact O-N 2.8Å; L121-F123 VanDerWaalsContact C-N 3.35Å; L121-K124 PolarHBondContact O-N 3.35Å; L121-R125 WeakPolarHBondContact O-CG 3.44Å; L121-R125 PolarHBondContact O-N 3.08Å
122	L	85.4	Confident	83.3	Confident	113 Å²	113	91.1 Å²	91.1	59%	0.592	44%	0.435	S	S	*	.	H	α-helix	trans	-60.3	-45.5	174.7	-178.6	63.7	0	0	0	111	S118 H119 R125 L126	S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.45Å; H119-L122 PolarHBondContact O-N 2.92Å; L122-R125 PolarHBondContact O-N 3.04Å; L122-L126 WeakPolarHBondContact O-CB 3.3Å; L122-L126 PolarHBondContact O-N 3.3Å
123	F	86.7	Confident	83	Confident	117 Å²	117	88 Å²	88	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-62.3	-42.8	176.6	-177.8	-103.6	0	0	0	112.2	H119 C120 L121 L126 Q127	H119-F123 VanDerWaalsContact O-CB 3.27Å; H119-F123 WeakPolarHBondContact O-CB 3.49Å; H119-F123 PolarHBondContact O-N 3.02Å; C120-F123 PolarHBondContact O-N 2.91Å; L121-F123 VanDerWaalsContact C-N 3.35Å; F123-L126 WeakPolarHBondContact O-CB 3.41Å; F123-L126 PolarHBondContact O-N 2.87Å; F123-Q127 HydrophobicContact CD1-CG 4.41Å; F123-Q127 VanDerWaalsContact CE1-CD 3.45Å; F123-Q127 HydrophobicContact CE1-CG 4.11Å; F123-Q127 HydrophobicContact CZ-CG 4.22Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.27Å; F123-Q127 WeakPolarHBondContact O-CG 3.38Å; F123-Q127 PolarHBondContact O-N 3.08Å
124	K	84.9	Confident	82.6	Confident	134 Å²	134	92.9 Å²	92.9	58%	0.583	45%	0.454	S	S	*	.	H	α-helix	trans	-61.7	-44.5	174.9	-173.9	-178.7	178.5	-176.3	0	111.8	C120 L121 L126 Q127 E128	C120-K124 WeakPolarHBondContact O-CB 3.48Å; C120-K124 PolarHBondContact O-N 3.45Å; L121-K124 PolarHBondContact O-N 3.35Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-Q127 PolarHBondContact O-N 2.9Å; K124-E128 PolarHBondContact O-N 3.42Å
125	R	85.2	Confident	82.4	Confident	184 Å²	184	96.6 Å²	96.6	69%	0.694	47%	0.47	S	S	*	.	H	α-helix	trans	-62.2	-41.6	175.6	-75.5	180	176.9	174.4	-0.5	111.6	L121 L122 E128 A129	L121-R125 WeakPolarHBondContact O-CG 3.44Å; L121-R125 PolarHBondContact O-N 3.08Å; L122-R125 PolarHBondContact O-N 3.04Å; R125-E128 PolarHBondContact O-N 3.31Å; R125-A129 VanDerWaalsContact O-CB 3.3Å; R125-A129 WeakPolarHBondContact O-CB 3.27Å; R125-A129 PolarHBondContact O-N 3.41Å
126	L	85.6	Confident	82.2	Confident	113 Å²	113	94.1 Å²	94.1	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-62	-43.7	175.5	-177.3	67.3	0	0	0	111.6	L122 F123 K124 A129 N130	L122-L126 WeakPolarHBondContact O-CB 3.3Å; L122-L126 PolarHBondContact O-N 3.3Å; F123-L126 WeakPolarHBondContact O-CB 3.41Å; F123-L126 PolarHBondContact O-N 2.87Å; K124-L126 VanDerWaalsContact C-N 3.34Å; L126-A129 PolarHBondContact O-N 2.92Å; L126-N130 VanDerWaalsContact O-CB 3.26Å; L126-N130 WeakPolarHBondContact O-CB 3.44Å; L126-N130 PolarHBondContact O-N 3.06Å
127	Q	84.6	Confident	81.6	Confident	109 Å²	109	94.1 Å²	94.1	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-62	-45.1	176.6	-75.3	-174.6	-28.1	0	0	112.4	F123 K124 N130 R131	F123-Q127 HydrophobicContact CD1-CG 4.41Å; F123-Q127 VanDerWaalsContact CE1-CD 3.45Å; F123-Q127 HydrophobicContact CE1-CG 4.11Å; F123-Q127 HydrophobicContact CZ-CG 4.22Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.27Å; F123-Q127 WeakPolarHBondContact O-CG 3.38Å; F123-Q127 PolarHBondContact O-N 3.08Å; K124-Q127 PolarHBondContact O-N 2.9Å; Q127-N130 PolarHBondContact O-N 3.38Å; Q127-R131 WeakPolarHBondContact O-CB 3.38Å; Q127-R131 PolarHBondContact O-N 3.35Å
128	E	85.6	Confident	81.1	Confident	60 Å²	60	99.7 Å²	99.7	28%	0.28	49%	0.49	S	S	.	.	H	α-helix	trans	-67.8	-41.2	178.2	177.8	57.8	-166	0	0	111.8	K124 R125 N130 R131 R132	K124-E128 PolarHBondContact O-N 3.42Å; R125-E128 PolarHBondContact O-N 3.31Å; E128-N130 VanDerWaalsContact C-N 3.34Å; E128-N130 PolarHBondContact O-N 2.94Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE1-NH2 2.7Å; E128-R131 PolarHBondContact OE1-NH2 3.32Å; E128-R131 VanDerWaalsContact OE1-NH2 3.08Å; E128-R131 IonicContact OE2-CZ 4Å; E128-R131 IonicContact OE2-NE 2.65Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.12Å; E128-R131 PolarHBondContact OE2-NH2 2.89Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.06Å; E128-R132 IonicContact OE1-CZ 2.75Å; E128-R132 IonicContact OE1-NE 3.14Å; E128-R132 PolarHBondContact OE1-NE 3.3Å; E128-R132 IonicContact OE1-NH2 3.97Å; E128-R132 PolarHBondContact OE1-NH2 2.91Å
129	A	81.7	Confident	80.8	Confident	49 Å²	49	101.4 Å²	101.4	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-45.3	173	0	0	0	0	0	111.2	R125 L126 R131 R132 T133	R125-A129 VanDerWaalsContact O-CB 3.3Å; R125-A129 WeakPolarHBondContact O-CB 3.27Å; R125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 2.92Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 3.48Å; A129-R132 PolarHBondContact O-N 3.46Å; A129-T133 PolarHBondContact O-N 3.49Å; A129-T133 PolarHBondContact O-OG1 3.46Å; A129-T133 VanDerWaalsContact O-OG1 3.06Å
130	N	79.3	Confident	80.5	Confident	112 Å²	112	102 Å²	102	60%	0.599	50%	0.499	S	S	*	.	H	α-helix	trans	-61.8	-41.7	177	-168.5	38.3	0	0	0	111.8	L126 Q127 E128 R132 T133 H134	L126-N130 VanDerWaalsContact O-CB 3.26Å; L126-N130 WeakPolarHBondContact O-CB 3.44Å; L126-N130 PolarHBondContact O-N 3.06Å; Q127-N130 PolarHBondContact O-N 3.38Å; E128-N130 VanDerWaalsContact C-N 3.34Å; E128-N130 PolarHBondContact O-N 2.94Å; N130-R132 PolarHBondContact O-N 3.06Å; N130-T133 PolarHBondContact O-N 2.85Å; N130-H134 VanDerWaalsContact O-CB 3.25Å; N130-H134 WeakPolarHBondContact O-CB 3.26Å; N130-H134 PolarHBondContact O-N 3.16Å
131	R	76.9	Confident	79.9	Confident	163 Å²	163	101.7 Å²	101.7	62%	0.615	50%	0.495	S	S	*	.	H	α-helix	trans	-62.5	-41.8	176.5	-167	179.6	71.4	102.2	3.8	112.1	Q127 E128 A129 H134 L135	Q127-R131 WeakPolarHBondContact O-CB 3.38Å; Q127-R131 PolarHBondContact O-N 3.35Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE1-NH2 2.7Å; E128-R131 PolarHBondContact OE1-NH2 3.32Å; E128-R131 VanDerWaalsContact OE1-NH2 3.08Å; E128-R131 IonicContact OE2-CZ 4Å; E128-R131 IonicContact OE2-NE 2.65Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.12Å; E128-R131 PolarHBondContact OE2-NH2 2.89Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 3.48Å; R131-H134 PolarHBondContact O-N 3.28Å; R131-L135 PolarHBondContact O-N 2.99Å
132	R	81.7	Confident	79.3	Confident	166 Å²	166	106.5 Å²	106.5	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-65.8	-46.7	176.1	-71	176.7	-174.6	-167.4	0.3	111.9	E128 A129 N130 H134 L135 A136	E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.06Å; E128-R132 IonicContact OE1-CZ 2.75Å; E128-R132 IonicContact OE1-NE 3.14Å; E128-R132 PolarHBondContact OE1-NE 3.3Å; E128-R132 IonicContact OE1-NH2 3.97Å; E128-R132 PolarHBondContact OE1-NH2 2.91Å; A129-R132 PolarHBondContact O-N 3.46Å; N130-R132 PolarHBondContact O-N 3.06Å; R132-H134 VanDerWaalsContact C-N 3.29Å; R132-H134 PolarHBondContact O-N 2.93Å; R132-L135 PolarHBondContact O-N 3.41Å; R132-A136 WeakPolarHBondContact O-CB 3.46Å; R132-A136 PolarHBondContact O-N 3.45Å
133	T	75.4	Confident	78.7	Confident	86 Å²	86	107.5 Å²	107.5	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.2	-58.3	0	0	0	0	110.9	A129 N130 A136 S137	A129-T133 PolarHBondContact O-N 3.49Å; A129-T133 PolarHBondContact O-OG1 3.46Å; A129-T133 VanDerWaalsContact O-OG1 3.06Å; N130-T133 PolarHBondContact O-N 2.85Å; T133-A136 PolarHBondContact O-N 3.47Å; T133-S137 WeakPolarHBondContact O-CB 3.35Å; T133-S137 PolarHBondContact O-N 3.28Å; T133-S137 PolarHBondContact O-OG 3.38Å; T133-S137 VanDerWaalsContact O-OG 3.1Å
134	H	73.7	Confident	78.1	Confident	109 Å²	109	106.2 Å²	106.2	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-48.4	176.6	-172.2	65.6	0	0	0	112.2	N130 R131 R132 A136 S137 E138	N130-H134 VanDerWaalsContact O-CB 3.25Å; N130-H134 WeakPolarHBondContact O-CB 3.26Å; N130-H134 PolarHBondContact O-N 3.16Å; R131-H134 PolarHBondContact O-N 3.28Å; R132-H134 VanDerWaalsContact C-N 3.29Å; R132-H134 PolarHBondContact O-N 2.93Å; H134-A136 PolarHBondContact O-N 3.39Å; H134-S137 WeakPolarHBondContact O-CB 3.3Å; H134-S137 PolarHBondContact O-N 3.49Å; H134-E138 PolarHBondContact O-N 3.34Å
135	L	77	Confident	77.6	Confident	98 Å²	98	101 Å²	101	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.4	-176.7	68.5	0	0	0	112.1	R131 R132 S137 E138 L139	R131-L135 PolarHBondContact O-N 2.99Å; R132-L135 PolarHBondContact O-N 3.41Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.91Å; L135-E138 PolarHBondContact O-N 2.97Å; L135-L139 HydrophobicContact CG-CD1 4.32Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.9Å
136	A	78.4	Confident	77.4	Confident	45 Å²	45	99.3 Å²	99.3	37%	0.372	49%	0.489	S	S	.	.	H	α-helix	trans	-61.3	-43.6	176.7	0	0	0	0	0	111.5	R132 T133 H134 L139 M140	R132-A136 WeakPolarHBondContact O-CB 3.46Å; R132-A136 PolarHBondContact O-N 3.45Å; T133-A136 PolarHBondContact O-N 3.47Å; H134-A136 PolarHBondContact O-N 3.39Å; A136-L139 PolarHBondContact O-N 3.29Å; A136-M140 WeakPolarHBondContact O-CB 3.46Å; A136-M140 VanDerWaalsContact O-CG 3.3Å; A136-M140 WeakPolarHBondContact O-CG 3.5Å; A136-M140 PolarHBondContact O-N 3.48Å
137	S	72.1	Confident	77.6	Confident	47 Å²	47	95.5 Å²	95.5	33%	0.329	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-44	174.3	-66.7	0	0	0	0	111.8	T133 H134 L135 L139 M140 M141	T133-S137 WeakPolarHBondContact O-CB 3.35Å; T133-S137 PolarHBondContact O-N 3.28Å; T133-S137 PolarHBondContact O-OG 3.38Å; T133-S137 VanDerWaalsContact O-OG 3.1Å; H134-S137 WeakPolarHBondContact O-CB 3.3Å; H134-S137 PolarHBondContact O-N 3.49Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.91Å; S137-L139 PolarHBondContact O-N 3.34Å; S137-M140 PolarHBondContact O-N 3.1Å; S137-M141 VanDerWaalsContact O-CB 3.3Å; S137-M141 WeakPolarHBondContact O-CB 3.45Å; S137-M141 WeakPolarHBondContact O-CG 3.28Å; S137-M141 PolarHBondContact O-N 2.83Å
138	E	72.6	Confident	77.9	Confident	119 Å²	119	92.8 Å²	92.8	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-59.4	-45.7	176.7	-170.6	-175.1	164.4	0	0	111.8	H134 L135 M141 Y142	H134-E138 PolarHBondContact O-N 3.34Å; L135-E138 PolarHBondContact O-N 2.97Å; E138-M141 PolarHBondContact O-N 3.27Å; E138-Y142 PolarHBondContact O-N 3.13Å
139	L	77.1	Confident	78.3	Confident	96 Å²	96	93.7 Å²	93.7	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-45.9	176.5	-70.1	171.3	0	0	0	112.1	L135 A136 S137 M141 Y142 H143	L135-L139 HydrophobicContact CG-CD1 4.32Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.9Å; A136-L139 PolarHBondContact O-N 3.29Å; S137-L139 PolarHBondContact O-N 3.34Å; L139-M141 VanDerWaalsContact C-N 3.29Å; L139-M141 PolarHBondContact O-N 3.14Å; L139-Y142 PolarHBondContact O-N 3.15Å; L139-H143 PolarHBondContact O-CD2 3.44Å; L139-H143 PolarHBondContact O-N 3.21Å
140	M	77.8	Confident	78.9	Confident	132 Å²	132	99 Å²	99	65%	0.65	49%	0.485	S	S	*	.	H	α-helix	trans	-60.6	-42.1	176.5	-75.4	-174.9	-178.5	0	0	111.1	A136 S137 H143 T144	A136-M140 WeakPolarHBondContact O-CB 3.46Å; A136-M140 VanDerWaalsContact O-CG 3.3Å; A136-M140 WeakPolarHBondContact O-CG 3.5Å; A136-M140 PolarHBondContact O-N 3.48Å; S137-M140 PolarHBondContact O-N 3.1Å; M140-H143 PolarHBondContact O-N 3.43Å; M140-T144 VanDerWaalsContact O-CB 3.32Å; M140-T144 WeakPolarHBondContact O-CB 3.22Å; M140-T144 VanDerWaalsContact O-CG2 3.27Å; M140-T144 WeakPolarHBondContact O-CG2 3.18Å; M140-T144 PolarHBondContact O-N 2.98Å; M140-T144 PolarHBondContact O-OG1 2.93Å
141	M	73.2	Confident	79.7	Confident	25 Å²	25	96.6 Å²	96.6	12%	0.123	47%	0.472	C	S	.	.	H	α-helix	trans	-63.8	-47.3	175.6	-77	-169.9	74.5	0	0	111.7	S137 E138 L139 H143 T144 Q145 C307 I308 I311	S137-M141 VanDerWaalsContact O-CB 3.3Å; S137-M141 WeakPolarHBondContact O-CB 3.45Å; S137-M141 WeakPolarHBondContact O-CG 3.28Å; S137-M141 PolarHBondContact O-N 2.83Å; E138-M141 PolarHBondContact O-N 3.27Å; L139-M141 VanDerWaalsContact C-N 3.29Å; L139-M141 PolarHBondContact O-N 3.14Å; M141-H143 PolarHBondContact O-N 3.3Å; M141-T144 WeakPolarHBondContact CA-OG1 3.25Å; M141-T144 PolarHBondContact O-N 3.34Å; M141-T144 PolarHBondContact O-OG1 2.98Å; M141-Q145 HydrophobicContact CE-CG 4.39Å; M141-Q145 WeakPolarHBondContact O-CA 2.92Å; M141-Q145 WeakPolarHBondContact O-CB 3.45Å; M141-Q145 PolarHBondContact O-N 3.49Å; M141-C307 HydrophobicContact CE-CB 3.62Å; M141-C307 WeakPolarHBondContact CE-O 3.25Å; M141-C307 HydrophobicContact SD-CB 3.35Å; M141-C307 WeakPolarHBondContact SD-CB 3.31Å; M141-I308 HydrophobicContact CE-CG1 4.1Å; M141-I311 HydrophobicContact CE-CD1 3.61Å; M141-I311 HydrophobicContact CE-CG1 4.06Å
142	Y	71	Confident	80.6	Confident	160 Å²	160	88.8 Å²	88.8	63%	0.627	44%	0.443	S	S	*	.	H	α-helix	trans	-54.2	-40.6	178.4	-178.1	-96	0	0	0	112.5	E138 L139 K146	E138-Y142 PolarHBondContact O-N 3.13Å; L139-Y142 PolarHBondContact O-N 3.15Å; Y142-K146 PolarHBondContact O-N 3.03Å
143	H	73.1	Confident	81.3	Confident	134 Å²	134	84.4 Å²	84.4	62%	0.62	43%	0.432	S	S	*	.	H	α-helix	trans	-79.5	-40.9	179	-69.4	-60.5	0	0	0	113.7	L139 M140 M141	L139-H143 PolarHBondContact O-CD2 3.44Å; L139-H143 PolarHBondContact O-N 3.21Å; M140-H143 PolarHBondContact O-N 3.43Å; M141-H143 PolarHBondContact O-N 3.3Å
144	T	73	Confident	82.3	Confident	89 Å²	89	83.1 Å²	83.1	55%	0.546	42%	0.417	S	S	.	.	H	α-helix	trans	-77.5	-36.4	-178.5	54.7	0	0	0	0	112.3	M140 M141 K218	M140-T144 VanDerWaalsContact O-CB 3.32Å; M140-T144 WeakPolarHBondContact O-CB 3.22Å; M140-T144 VanDerWaalsContact O-CG2 3.27Å; M140-T144 WeakPolarHBondContact O-CG2 3.18Å; M140-T144 PolarHBondContact O-N 2.98Å; M140-T144 PolarHBondContact O-OG1 2.93Å; M141-T144 WeakPolarHBondContact CA-OG1 3.25Å; M141-T144 PolarHBondContact O-N 3.34Å; M141-T144 PolarHBondContact O-OG1 2.98Å; T144-K218 WeakPolarHBondContact O-CE 3.04Å; T144-K218 PolarHBondContact O-NZ 3.07Å
145	Q	74.3	Confident	83.3	Confident	26 Å²	26	77.9 Å²	77.9	12%	0.121	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	17.4	179.3	-67.5	-75.5	-12	0	0	113.3	M141 I147 S215 I311	M141-Q145 HydrophobicContact CE-CG 4.39Å; M141-Q145 WeakPolarHBondContact O-CA 2.92Å; M141-Q145 WeakPolarHBondContact O-CB 3.45Å; M141-Q145 PolarHBondContact O-N 3.49Å; Q145-I147 WeakPolarHBondContact O-CG1 3.27Å; Q145-I147 PolarHBondContact O-N 2.97Å; Q145-S215 PolarHBondContact NE2-O 3.32Å; Q145-S215 VanDerWaalsContact OE1-CA 3.28Å; Q145-S215 PolarHBondContact OE1-O 3.5Å; Q145-S215 VanDerWaalsContact OE1-O 3.05Å; Q145-I311 HydrophobicContact CB-CD1 4.43Å
146	K	81	Confident	84.3	Confident	148 Å²	148	74 Å²	74	64%	0.643	37%	0.374	S	S	*	.			trans	-60.9	109.4	174.7	-169.5	176.9	-177.9	179.6	0	110.1	Y142 K218	Y142-K146 PolarHBondContact O-N 3.03Å; K146-K218 PolarHBondContact O-NZ 3.17Å
147	I	90	Very high	85.1	Confident	32 Å²	32	78 Å²	78	16%	0.164	39%	0.389	C	S	.	.			trans	-92.4	137.1	175.1	-59.5	-49.5	0	0	0	108.9	Q145 E149 V152 L214 K218	Q145-I147 WeakPolarHBondContact O-CG1 3.27Å; Q145-I147 PolarHBondContact O-N 2.97Å; I147-E149 PolarHBondContact O-N 3.41Å; I147-V152 HydrophobicContact CB-CG2 4.47Å; I147-V152 HydrophobicContact CG2-CG2 3.65Å; I147-L214 HydrophobicContact CD1-CB 4.05Å; I147-L214 HydrophobicContact CG1-CB 4.11Å; I147-L214 HydrophobicContact CG2-CB 3.73Å; I147-L214 HydrophobicContact CG2-CD1 3.41Å; I147-L214 VanDerWaalsContact CG2-CD1 3.41Å; I147-L214 HydrophobicContact CG2-CG 4.16Å; I147-K218 HydrophobicContact CD1-CB 4.25Å; I147-K218 HydrophobicContact CD1-CD 3.75Å
148	A	91.5	Very high	86.2	Confident	52 Å²	52	78.1 Å²	78.1	43%	0.43	39%	0.389	S	S	.	.			trans	-64.3	129.1	175.5	0	0	0	0	0	110.2	E150 D151 V152	A148-E150 PolarHBondContact O-N 3.35Å; A148-D151 PolarHBondContact O-N 3.47Å; A148-D151 VanDerWaalsContact O-N 3.12Å; A148-V152 PolarHBondContact O-N 2.87Å
149	E	93.6	Very high	87.3	Confident	80 Å²	80	78.1 Å²	78.1	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-30.9	-178.2	-171	59.6	-157.2	0	0	112	I147 V152 L153 R207 R211	I147-E149 PolarHBondContact O-N 3.41Å; E149-V152 PolarHBondContact O-N 3.31Å; E149-L153 HydrophobicContact CG-CD1 4.18Å; E149-L153 HydrophobicContact CG-CG 4.36Å; E149-L153 WeakPolarHBondContact O-CB 3.35Å; E149-L153 VanDerWaalsContact O-CG 3.27Å; E149-L153 WeakPolarHBondContact O-CG 3.41Å; E149-L153 PolarHBondContact O-N 3.2Å; E149-R207 IonicContact OE1-CZ 3.4Å; E149-R207 IonicContact OE1-NH1 2.91Å; E149-R207 PolarHBondContact OE1-NH1 3.5Å; E149-R207 IonicContact OE1-NH2 3.02Å; E149-R207 PolarHBondContact OE1-NH2 3.34Å; E149-R207 IonicContact OE2-NH2 2.94Å; E149-R211 IonicContact OE1-NH2 3.13Å; E149-R211 PolarHBondContact OE1-NH2 3.08Å; E149-R211 IonicContact OE2-CZ 3.28Å; E149-R211 IonicContact OE2-NH2 3.89Å; E149-R211 PolarHBondContact OE2-NH2 2.92Å
150	E	95.4	Very high	88.2	Confident	159 Å²	159	75.8 Å²	75.8	74%	0.743	39%	0.387	S	S	*	.	H	α-helix	trans	-58.7	-45.4	174.5	-175.8	175.5	-179.5	0	0	112.3	A148 V152 L153 R154	A148-E150 PolarHBondContact O-N 3.35Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.73Å; E150-L153 PolarHBondContact O-N 3.17Å; E150-R154 WeakPolarHBondContact O-CB 3.32Å; E150-R154 PolarHBondContact O-N 2.94Å
151	D	95.2	Very high	89.1	Confident	62 Å²	62	70.8 Å²	70.8	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-39.2	177.8	-73.9	-48	0	0	0	111.9	A148 R154 L155 L214	A148-D151 PolarHBondContact O-N 3.47Å; A148-D151 VanDerWaalsContact O-N 3.12Å; D151-R154 PolarHBondContact O-N 2.83Å; D151-R154 IonicContact OD1-NE 2.71Å; D151-L155 WeakPolarHBondContact O-CB 3.21Å; D151-L155 PolarHBondContact O-N 2.66Å; D151-L214 HydrophobicContact CB-CD1 3.79Å; D151-L214 HydrophobicContact CB-CD2 4.24Å
152	V	96.3	Very high	90.2	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.4	-46.8	174.6	-179.6	0	0	0	0	110.3	I147 A148 E149 E150 L155 S156 R207 R211 L214	I147-V152 HydrophobicContact CB-CG2 4.47Å; I147-V152 HydrophobicContact CG2-CG2 3.65Å; A148-V152 PolarHBondContact O-N 2.87Å; E149-V152 PolarHBondContact O-N 3.31Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.73Å; V152-L155 PolarHBondContact O-N 2.72Å; V152-S156 WeakPolarHBondContact O-CB 3.47Å; V152-S156 PolarHBondContact O-N 3.26Å; V152-S156 PolarHBondContact O-OG 3.44Å; V152-R207 HydrophobicContact CG1-CG 4.14Å; V152-R211 HydrophobicContact CB-CG 4.32Å; V152-R211 HydrophobicContact CG1-CG 3.79Å; V152-R211 HydrophobicContact CG2-CG 3.49Å; V152-R211 VanDerWaalsContact CG2-CG 3.49Å; V152-L214 HydrophobicContact CG2-CD1 3.88Å
153	L	96.4	Very high	91.3	Very high	74 Å²	74	70.7 Å²	70.7	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-44.2	179.6	-72.7	172.2	0	0	0	111	E149 E150 L155 S156 L157	E149-L153 HydrophobicContact CG-CD1 4.18Å; E149-L153 HydrophobicContact CG-CG 4.36Å; E149-L153 WeakPolarHBondContact O-CB 3.35Å; E149-L153 VanDerWaalsContact O-CG 3.27Å; E149-L153 WeakPolarHBondContact O-CG 3.41Å; E149-L153 PolarHBondContact O-N 3.2Å; E150-L153 PolarHBondContact O-N 3.17Å; L153-L155 PolarHBondContact O-N 3.31Å; L153-S156 PolarHBondContact O-N 2.87Å; L153-S156 VanDerWaalsContact O-N 3.14Å; L153-L157 HydrophobicContact CB-CD1 4.32Å; L153-L157 HydrophobicContact CD2-CD1 4.13Å; L153-L157 VanDerWaalsContact O-CB 3.24Å; L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 3.43Å
154	R	95.6	Very high	92.3	Very high	58 Å²	58	67.9 Å²	67.9	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-54.7	-54.2	174.3	-174.3	-177.6	66.1	81.9	4.6	111	E150 D151 S156 L157 C158	E150-R154 WeakPolarHBondContact O-CB 3.32Å; E150-R154 PolarHBondContact O-N 2.94Å; D151-R154 PolarHBondContact O-N 2.83Å; D151-R154 IonicContact OD1-NE 2.71Å; R154-S156 VanDerWaalsContact C-N 3.27Å; R154-S156 PolarHBondContact O-N 3.36Å; R154-L157 PolarHBondContact O-N 3.02Å; R154-C158 VanDerWaalsContact O-CB 3.27Å; R154-C158 WeakPolarHBondContact O-CB 3.46Å; R154-C158 PolarHBondContact O-N 2.97Å; R154-C158 PolarHBondContact O-SG 2.82Å
155	L	96	Very high	93.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-68	-23.2	178.7	-79.1	167.7	0	0	0	113.9	D151 V152 L153 H186 M187 L190 R206 S210 L214	D151-L155 WeakPolarHBondContact O-CB 3.21Å; D151-L155 PolarHBondContact O-N 2.66Å; V152-L155 PolarHBondContact O-N 2.72Å; L153-L155 PolarHBondContact O-N 3.31Å; L155-H186 HydrophobicContact CD1-CB 3.67Å; L155-H186 HydrophobicContact CD2-CB 3.52Å; L155-H186 HydrophobicContact CG-CB 4.24Å; L155-M187 HydrophobicContact CD2-CE 3.57Å; L155-M187 HydrophobicContact CD2-CG 3.97Å; L155-M187 HydrophobicContact CD2-SD 3.61Å; L155-M187 HydrophobicContact CG-CE 4.22Å; L155-L190 HydrophobicContact CB-CD1 4.26Å; L155-L190 HydrophobicContact CD2-CD1 3.79Å; L155-L190 VanDerWaalsContact O-CD1 3.22Å; L155-L190 WeakPolarHBondContact O-CD1 3.35Å; L155-R206 PolarHBondContact O-NE 3.26Å; L155-R206 PolarHBondContact O-NH2 3.31Å; L155-S210 WeakPolarHBondContact CB-OG 3.4Å; L155-S210 PolarHBondContact O-OG 3.15Å; L155-L214 HydrophobicContact CD1-CD1 3.82Å; L155-L214 HydrophobicContact CD1-CD2 3.62Å; L155-L214 HydrophobicContact CD1-CG 3.61Å
156	S	96.1	Very high	94.3	Very high	17 Å²	17	69.6 Å²	69.6	12%	0.119	36%	0.358	C	S	.	.	H	α-helix	trans	-86.5	-28.9	179.4	-61.1	0	0	0	0	113.6	V152 L153 R154 R206 R207	V152-S156 WeakPolarHBondContact O-CB 3.47Å; V152-S156 PolarHBondContact O-N 3.26Å; V152-S156 PolarHBondContact O-OG 3.44Å; L153-S156 PolarHBondContact O-N 2.87Å; L153-S156 VanDerWaalsContact O-N 3.14Å; R154-S156 VanDerWaalsContact C-N 3.27Å; R154-S156 PolarHBondContact O-N 3.36Å; S156-R206 VanDerWaalsContact C-CZ 3.48Å; S156-R206 VanDerWaalsContact O-CD 3.22Å; S156-R206 WeakPolarHBondContact O-CD 3.47Å; S156-R206 PolarHBondContact O-NE 2.71Å; S156-R206 VanDerWaalsContact O-NE 3.1Å; S156-R206 PolarHBondContact O-NH1 3.3Å; S156-R207 WeakPolarHBondContact OG-CA 3.48Å
157	L	96	Very high	95	Very high	129 Å²	129	63.5 Å²	63.5	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-111.2	-31.9	-168.5	-61.6	177.1	0	0	0	113.7	L153 R154	L153-L157 HydrophobicContact CB-CD1 4.32Å; L153-L157 HydrophobicContact CD2-CD1 4.13Å; L153-L157 VanDerWaalsContact O-CB 3.24Å; L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 3.43Å; R154-L157 PolarHBondContact O-N 3.02Å
158	C	95	Very high	95.1	Very high	49 Å²	49	68 Å²	68	33%	0.331	37%	0.365	S	S	.	.	S	Bend	trans	-60.1	149.7	179.2	-69.5	0	0	0	0	111.2	R154 I160 M187 R206	R154-C158 VanDerWaalsContact O-CB 3.27Å; R154-C158 WeakPolarHBondContact O-CB 3.46Å; R154-C158 PolarHBondContact O-N 2.97Å; R154-C158 PolarHBondContact O-SG 2.82Å; C158-I160 PolarHBondContact O-N 3.45Å; C158-M187 HydrophobicContact CB-CE 3.76Å; C158-R206 PolarHBondContact O-NH1 2.77Å; C158-R206 PolarHBondContact O-NH2 3.23Å
159	P	95.9	Very high	95.3	Very high	119 Å²	119	67.6 Å²	67.6	77%	0.773	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.4	135.1	170.5	-24.8	35.2	0	0	0	110.8	P161	P159-P161 WeakPolarHBondContact O-CD 3.45Å
160	I	96.6	Very high	95.4	Very high	47 Å²	47	63.8 Å²	63.8	24%	0.241	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-79.8	117.1	175.2	-60.3	173.8	0	0	0	106.9	C158 L190 V194 R206	C158-I160 PolarHBondContact O-N 3.45Å; I160-L190 HydrophobicContact CD1-CB 4.28Å; I160-L190 HydrophobicContact CG1-CB 4.45Å; I160-L190 HydrophobicContact CG2-CB 4.27Å; I160-V194 HydrophobicContact CD1-CG2 3.65Å; I160-V194 HydrophobicContact CG2-CG2 4.39Å; I160-R206 VanDerWaalsContact CG1-CZ 3.44Å; I160-R206 VanDerWaalsContact CG1-NH2 3.35Å
161	P	96.1	Very high	95.3	Very high	27 Å²	27	58.4 Å²	58.4	18%	0.175	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.9	150.7	179.4	28.3	-34	0	0	0	110.1	P159 E165 L166 M187 S191	P159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-E165 VanDerWaalsContact CA-OE2 3.3Å; P161-E165 WeakPolarHBondContact CA-OE2 3.49Å; P161-E165 HydrophobicContact CB-CB 4.1Å; P161-L166 HydrophobicContact CB-CD2 4.35Å; P161-L166 HydrophobicContact CB-CG 4.24Å; P161-L166 HydrophobicContact CG-CD1 4.32Å; P161-L166 HydrophobicContact CG-CD2 3.61Å; P161-L166 HydrophobicContact CG-CG 3.83Å; P161-M187 HydrophobicContact CG-CB 4.42Å; P161-S191 WeakPolarHBondContact O-CB 3.37Å; P161-S191 PolarHBondContact O-OG 2.94Å
162	R	96	Very high	95.3	Very high	171 Å²	171	57.4 Å²	57.4	65%	0.645	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-65.8	151.5	166.8	-64.1	178.3	-178.5	170	2.8	109.1	T164 E165 L166	R162-T164 PolarHBondContact O-N 2.93Å; R162-T164 VanDerWaalsContact O-N 3.1Å; R162-E165 HydrophobicContact CB-CG 4.02Å; R162-E165 WeakPolarHBondContact CD-OE1 3.42Å; R162-E165 PolarHBondContact N-OE2 3.2Å; R162-E165 WeakPolarHBondContact O-CA 3.45Å; R162-E165 WeakPolarHBondContact O-CB 3.39Å; R162-E165 PolarHBondContact O-N 3.33Å; R162-L166 PolarHBondContact O-N 3.48Å
163	P	95	Very high	95.1	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.071	32%	0.323	C	S	.	.	H	α-helix	trans	-54.8	-36.4	-179.6	-28.2	35.2	0	0	0	114	E165 L166 F170 M171 S191 D195 Y239	P163-E165 VanDerWaalsContact C-N 3.31Å; P163-E165 PolarHBondContact O-N 3.47Å; P163-L166 PolarHBondContact O-N 2.94Å; P163-F170 HydrophobicContact CB-CD1 3.66Å; P163-F170 HydrophobicContact CB-CE1 4.13Å; P163-F170 WeakPolarHBondContact O-CB 3.47Å; P163-F170 WeakPolarHBondContact O-CG 3.42Å; P163-M171 HydrophobicContact CB-CE 3.12Å; P163-M171 HydrophobicContact CB-SD 4.23Å; P163-M171 HydrophobicContact CG-CE 4.02Å; P163-S191 VanDerWaalsContact CD-OG 3.24Å; P163-S191 WeakPolarHBondContact CD-OG 3.48Å; P163-S191 WeakPolarHBondContact CG-OG 3.5Å; P163-D195 HydrophobicContact CG-CB 4.01Å; P163-Y239 WeakPolarHBondContact CG-OH 3.49Å
164	T	94.2	Very high	95	Very high	76 Å²	76	58.9 Å²	58.9	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-72.7	-17.5	176.5	53.3	0	0	0	0	114.6	R162 S167 M171	R162-T164 PolarHBondContact O-N 2.93Å; R162-T164 VanDerWaalsContact O-N 3.1Å; T164-S167 WeakPolarHBondContact CA-O 3.32Å; T164-S167 CarbonylContact O-C 3.35Å; T164-M171 HydrophobicContact CG2-CG 4.08Å
165	E	95.3	Very high	95	Very high	119 Å²	119	57 Å²	57	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-80.4	-27.2	175.2	-68	165.3	-173	0	0	111.5	P161 R162 P163	P161-E165 VanDerWaalsContact CA-OE2 3.3Å; P161-E165 WeakPolarHBondContact CA-OE2 3.49Å; P161-E165 HydrophobicContact CB-CB 4.1Å; R162-E165 HydrophobicContact CB-CG 4.02Å; R162-E165 WeakPolarHBondContact CD-OE1 3.42Å; R162-E165 PolarHBondContact N-OE2 3.2Å; R162-E165 WeakPolarHBondContact O-CA 3.45Å; R162-E165 WeakPolarHBondContact O-CB 3.39Å; R162-E165 PolarHBondContact O-N 3.33Å; P163-E165 VanDerWaalsContact C-N 3.31Å; P163-E165 PolarHBondContact O-N 3.47Å
166	L	94.2	Very high	94.9	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-44.9	172.4	-67.6	162.2	0	0	0	111.1	P161 R162 P163 F170 A188	P161-L166 HydrophobicContact CB-CD2 4.35Å; P161-L166 HydrophobicContact CB-CG 4.24Å; P161-L166 HydrophobicContact CG-CD1 4.32Å; P161-L166 HydrophobicContact CG-CD2 3.61Å; P161-L166 HydrophobicContact CG-CG 3.83Å; R162-L166 PolarHBondContact O-N 3.48Å; P163-L166 PolarHBondContact O-N 2.94Å; L166-F170 HydrophobicContact CB-CD2 4.26Å; L166-F170 HydrophobicContact CD1-CD2 4.49Å; L166-F170 HydrophobicContact CD1-CE2 4.25Å; L166-F170 HydrophobicContact CD1-CZ 4.35Å; L166-A188 HydrophobicContact CD1-CB 3.7Å
167	S	94.5	Very high	94.8	Very high	20 Å²	20	56.6 Å²	56.6	14%	0.14	31%	0.311	C	S	.	.			trans	-157.8	137.6	172	167.9	0	0	0	0	109.3	T164 A169 F170 Y175	T164-S167 WeakPolarHBondContact CA-O 3.32Å; T164-S167 CarbonylContact O-C 3.35Å; S167-A169 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact O-N 3.08Å; S167-A169 PolarHBondContact OG-N 2.89Å; S167-F170 VanDerWaalsContact O-CB 3.26Å; S167-F170 WeakPolarHBondContact O-CB 3.09Å; S167-F170 PolarHBondContact O-N 3.36Å; S167-Y175 WeakPolarHBondContact OG-CE2 3.42Å
168	P	93.3	Very high	94.7	Very high	125 Å²	125	53.2 Å²	53.2	81%	0.812	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.5	175.2	-25.6	34.3	0	0	0	113.1
169	A	94	Very high	94.5	Very high	44 Å²	44	56 Å²	56	36%	0.364	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	2.3	-179.7	0	0	0	0	0	113.7	S167 M171 S172 Y175	S167-A169 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact O-N 3.08Å; S167-A169 PolarHBondContact OG-N 2.89Å; A169-M171 PolarHBondContact O-N 3.42Å; A169-S172 WeakPolarHBondContact O-CB 3.46Å; A169-S172 PolarHBondContact O-N 2.99Å; A169-Y175 HydrophobicContact CB-CD2 4.09Å; A169-Y175 HydrophobicContact CB-CG 4.46Å; A169-Y175 WeakPolarHBondContact O-CB 3.14Å
170	F	96	Very high	94.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	-174	-165.1	-90.2	0	0	0	113.4	P163 L166 S167 S172 Y175 L180 A188 M192 F232 H236 Y239	P163-F170 HydrophobicContact CB-CD1 3.66Å; P163-F170 HydrophobicContact CB-CE1 4.13Å; P163-F170 WeakPolarHBondContact O-CB 3.47Å; P163-F170 WeakPolarHBondContact O-CG 3.42Å; L166-F170 HydrophobicContact CB-CD2 4.26Å; L166-F170 HydrophobicContact CD1-CD2 4.49Å; L166-F170 HydrophobicContact CD1-CE2 4.25Å; L166-F170 HydrophobicContact CD1-CZ 4.35Å; S167-F170 VanDerWaalsContact O-CB 3.26Å; S167-F170 WeakPolarHBondContact O-CB 3.09Å; S167-F170 PolarHBondContact O-N 3.36Å; F170-S172 VanDerWaalsContact C-N 3.31Å; F170-Y175 HydrophobicContact CD2-CD1 4.09Å; F170-Y175 AromaticContact CD2-CE1 3.55Å; F170-Y175 HydrophobicContact CD2-CE1 3.55Å; F170-Y175 HydrophobicContact CE2-CE1 4.14Å; F170-Y175 HydrophobicContact CG-CE1 4.37Å; F170-L180 HydrophobicContact CD2-CD1 4.4Å; F170-L180 HydrophobicContact CE2-CD1 3.91Å; F170-A188 HydrophobicContact CE2-CB 3.94Å; F170-A188 HydrophobicContact CZ-CB 3.82Å; F170-M192 HydrophobicContact CE1-CG 4.17Å; F170-M192 HydrophobicContact CE1-SD 4.46Å; F170-M192 HydrophobicContact CZ-CG 4.39Å; F170-M192 HydrophobicContact CZ-SD 4.36Å; F170-F232 HydrophobicContact CE2-CZ 4.41Å; F170-H236 AromaticContact CD1-NE2 3.77Å; F170-H236 AromaticContact CE1-CD2 3.54Å; F170-H236 AromaticContact CE1-NE2 3.69Å; F170-H236 AromaticContact CE2-CD2 3.9Å; F170-H236 AromaticContact CG-NE2 3.99Å; F170-H236 AromaticContact CZ-CD2 3.4Å; F170-H236 VanDerWaalsContact CZ-CD2 3.4Å; F170-H236 WeakPolarHBondContact CZ-CD2 3.15Å; F170-H236 AromaticContact CZ-NE2 3.81Å; F170-H236 PolarHBondContact O-CE1 2.92Å; F170-H236 PolarHBondContact O-NE2 3.46Å; F170-Y239 HydrophobicContact CD1-CE1 4.38Å; F170-Y239 HydrophobicContact CE1-CD1 4.35Å; F170-Y239 HydrophobicContact CE1-CE1 4.06Å
171	M	94.7	Very high	94.5	Very high	47 Å²	47	51.4 Å²	51.4	23%	0.232	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.8	174.6	-62.2	-62.5	89.6	0	0	114.7	P163 T164 A169 Y239 L240 N244	P163-M171 HydrophobicContact CB-CE 3.12Å; P163-M171 HydrophobicContact CB-SD 4.23Å; P163-M171 HydrophobicContact CG-CE 4.02Å; T164-M171 HydrophobicContact CG2-CG 4.08Å; A169-M171 PolarHBondContact O-N 3.42Å; M171-Y239 HydrophobicContact CE-CE1 3.46Å; M171-Y239 VanDerWaalsContact CE-CE1 3.46Å; M171-Y239 WeakPolarHBondContact CE-OH 3.37Å; M171-Y239 HydrophobicContact SD-CE1 4.31Å; M171-Y239 PolarHBondContact SD-OH 3.14Å; M171-L240 WeakPolarHBondContact O-CD2 3.29Å; M171-N244 PolarHBondContact O-ND2 3.36Å
172	S	93.9	Very high	94.5	Very high	41 Å²	41	53.2 Å²	53.2	29%	0.287	28%	0.278	S	S	.	.	S	Bend	trans	-93.3	134.5	-178	-178.2	0	0	0	0	111.3	A169 F170 F174 Y175 L240	A169-S172 WeakPolarHBondContact O-CB 3.46Å; A169-S172 PolarHBondContact O-N 2.99Å; F170-S172 VanDerWaalsContact C-N 3.31Å; S172-F174 PolarHBondContact O-N 2.93Å; S172-F174 VanDerWaalsContact O-N 3.11Å; S172-F174 WeakPolarHBondContact OG-CD2 3.38Å; S172-F174 PolarHBondContact OG-N 3.08Å; S172-Y175 WeakPolarHBondContact O-CB 3.37Å; S172-Y175 PolarHBondContact O-N 3.32Å; S172-Y175 VanDerWaalsContact O-N 3.08Å; S172-L240 WeakPolarHBondContact O-CD1 3.42Å
173	F	93.3	Very high	94.4	Very high	28 Å²	28	50.2 Å²	50.2	12%	0.123	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.3	170.4	-76.2	-73.3	0	0	0	113	F237 L240 I241 N244 I245 K402 V469	F173-F237 AromaticContact CD1-CD2 3.92Å; F173-F237 HydrophobicContact CD1-CD2 3.92Å; F173-F237 AromaticContact CD1-CE2 3.48Å; F173-F237 HydrophobicContact CD1-CE2 3.48Å; F173-F237 VanDerWaalsContact CD1-CE2 3.48Å; F173-F237 AromaticContact CD1-CZ 3.88Å; F173-F237 HydrophobicContact CD1-CZ 3.88Å; F173-F237 HydrophobicContact CE1-CD2 4.46Å; F173-F237 HydrophobicContact CE1-CE1 4.48Å; F173-F237 HydrophobicContact CE1-CE2 4.13Å; F173-F237 HydrophobicContact CE1-CZ 4.16Å; F173-F237 HydrophobicContact CG-CE2 4.45Å; F173-L240 HydrophobicContact CB-CD1 4.44Å; F173-L240 HydrophobicContact CD1-CB 3.83Å; F173-L240 HydrophobicContact CD1-CD1 3.78Å; F173-L240 HydrophobicContact CE1-CB 3.4Å; F173-L240 VanDerWaalsContact CE1-CB 3.4Å; F173-L240 HydrophobicContact CE1-CD1 4.25Å; F173-L240 HydrophobicContact CE2-CB 4.46Å; F173-L240 HydrophobicContact CG-CD1 4.12Å; F173-L240 HydrophobicContact CZ-CB 3.77Å; F173-I241 HydrophobicContact CE1-CG1 3.95Å; F173-I241 HydrophobicContact CZ-CG1 4.26Å; F173-N244 HydrophobicContact CE2-CB 4.24Å; F173-I245 HydrophobicContact CZ-CD1 4.09Å; F173-I245 HydrophobicContact CZ-CG1 4.41Å; F173-K402 PolarHBondContact O-NZ 3.48Å; F173-V469 HydrophobicContact CB-CG2 4.02Å; F173-V469 HydrophobicContact CD1-CG2 4.13Å; F173-V469 HydrophobicContact CD2-CG2 4.12Å; F173-V469 HydrophobicContact CG-CG2 3.83Å
174	F	93.7	Very high	94.4	Very high	77 Å²	77	52.9 Å²	52.9	34%	0.338	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.1	-178.2	-44.2	-61.9	0	0	0	113.5	S172 P403 P468	S172-F174 PolarHBondContact O-N 2.93Å; S172-F174 VanDerWaalsContact O-N 3.11Å; S172-F174 WeakPolarHBondContact OG-CD2 3.38Å; S172-F174 PolarHBondContact OG-N 3.08Å; F174-P403 HydrophobicContact CB-CG 4.32Å; F174-P403 WeakPolarHBondContact O-CD 3.35Å; F174-P403 VanDerWaalsContact O-CG 3.31Å; F174-P403 WeakPolarHBondContact O-CG 3.43Å; F174-P468 HydrophobicContact CZ-CB 4.09Å
175	Y	94.4	Very high	94.6	Very high	18 Å²	18	49.3 Å²	49.3	7%	0.071	26%	0.263	C	S	.	.			trans	-69.8	138.6	170.3	175.2	-113.5	0	0	0	110.4	S167 A169 F170 S172 P177 L180 H236 K402	S167-Y175 WeakPolarHBondContact OG-CE2 3.42Å; A169-Y175 HydrophobicContact CB-CD2 4.09Å; A169-Y175 HydrophobicContact CB-CG 4.46Å; A169-Y175 WeakPolarHBondContact O-CB 3.14Å; F170-Y175 HydrophobicContact CD2-CD1 4.09Å; F170-Y175 AromaticContact CD2-CE1 3.55Å; F170-Y175 HydrophobicContact CD2-CE1 3.55Å; F170-Y175 HydrophobicContact CE2-CE1 4.14Å; F170-Y175 HydrophobicContact CG-CE1 4.37Å; S172-Y175 WeakPolarHBondContact O-CB 3.37Å; S172-Y175 PolarHBondContact O-N 3.32Å; S172-Y175 VanDerWaalsContact O-N 3.08Å; Y175-P177 HydrophobicContact CD1-CB 4.5Å; Y175-P177 HydrophobicContact CE1-CB 4.2Å; Y175-P177 WeakPolarHBondContact O-CD 3.35Å; Y175-L180 WeakPolarHBondContact OH-CD2 3.3Å; Y175-L180 VanDerWaalsContact OH-CG 3.31Å; Y175-L180 WeakPolarHBondContact OH-CG 3.41Å; Y175-H236 AromaticContact CD1-CE1 3.82Å; Y175-K402 WeakPolarHBondContact O-CD 3.44Å; Y175-K402 WeakPolarHBondContact O-CE 3.44Å; Y175-K402 PolarHBondContact O-NZ 3.37Å
176	S	94.9	Very high	94.7	Very high	8 Å²	8	43.9 Å²	43.9	6%	0.056	24%	0.238	C	C	.	.			trans	-97.7	99.5	176.4	-171.2	0	0	0	0	109.6	R178 E179	S176-R178 PolarHBondContact O-N 3.46Å; S176-R178 VanDerWaalsContact O-N 3.15Å; S176-E179 WeakPolarHBondContact O-CG 3.41Å; S176-E179 PolarHBondContact O-N 3.12Å
177	P	93.3	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.5	-16	-177.9	25.6	-34.6	0	0	0	113.6	Y175 E179 L180 F232 T233 H236	Y175-P177 HydrophobicContact CD1-CB 4.5Å; Y175-P177 HydrophobicContact CE1-CB 4.2Å; Y175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-E179 PolarHBondContact O-N 3.47Å; P177-E179 VanDerWaalsContact O-N 3.11Å; P177-L180 PolarHBondContact O-N 3.4Å; P177-L180 VanDerWaalsContact O-N 3.16Å; P177-F232 HydrophobicContact CB-CD1 3.89Å; P177-F232 HydrophobicContact CB-CE1 3.46Å; P177-F232 VanDerWaalsContact CB-CE1 3.46Å; P177-F232 HydrophobicContact CB-CZ 4.17Å; P177-T233 HydrophobicContact CG-CG2 3.87Å; P177-H236 HydrophobicContact CB-CB 4.23Å; P177-H236 HydrophobicContact CG-CB 4.07Å
178	R	94.6	Very high	95	Very high	58 Å²	58	42.1 Å²	42.1	22%	0.219	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.3	-11.8	173.5	-58.8	-174.3	179.1	-96.2	5.4	113.8	S176 L180 T233 D399	S176-R178 PolarHBondContact O-N 3.46Å; S176-R178 VanDerWaalsContact O-N 3.15Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-T233 WeakPolarHBondContact CG-OG1 3.46Å; R178-D399 IonicContact CZ-OD2 2.77Å; R178-D399 IonicContact NE-OD1 3.2Å; R178-D399 IonicContact NE-OD2 3.6Å; R178-D399 PolarHBondContact NE-OD2 3.16Å; R178-D399 IonicContact NH2-OD2 3.29Å; R178-D399 PolarHBondContact NH2-OD2 2.94Å
179	E	91.7	Very high	95.3	Very high	108 Å²	108	36.2 Å²	36.2	51%	0.505	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-79.8	-13.6	176.2	-63.9	179.1	165.2	0	0	113.6	S176 P177 K406	S176-E179 WeakPolarHBondContact O-CG 3.41Å; S176-E179 PolarHBondContact O-N 3.12Å; P177-E179 PolarHBondContact O-N 3.47Å; P177-E179 VanDerWaalsContact O-N 3.11Å; E179-K406 WeakPolarHBondContact OE1-CE 3.27Å; E179-K406 IonicContact OE1-NZ 2.71Å; E179-K406 PolarHBondContact OE1-NZ 3.05Å
180	L	95.5	Very high	95.5	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.089	17%	0.171	C	C	.	.	S	Bend	trans	-74.4	147.4	178.2	-69.6	-178.5	0	0	0	111.8	F170 Y175 P177 R178 D184 T185 A188 Y229 F232	F170-L180 HydrophobicContact CD2-CD1 4.4Å; F170-L180 HydrophobicContact CE2-CD1 3.91Å; Y175-L180 WeakPolarHBondContact OH-CD2 3.3Å; Y175-L180 VanDerWaalsContact OH-CG 3.31Å; Y175-L180 WeakPolarHBondContact OH-CG 3.41Å; P177-L180 PolarHBondContact O-N 3.4Å; P177-L180 VanDerWaalsContact O-N 3.16Å; R178-L180 VanDerWaalsContact C-N 3.33Å; L180-D184 HydrophobicContact CB-CB 4.12Å; L180-D184 HydrophobicContact CD2-CB 4.22Å; L180-T185 HydrophobicContact CB-CG2 4.1Å; L180-A188 HydrophobicContact CD1-CB 4.12Å; L180-Y229 WeakPolarHBondContact O-CE1 3.22Å; L180-Y229 PolarHBondContact O-OH 3.38Å; L180-F232 HydrophobicContact CD1-CE1 3.97Å; L180-F232 HydrophobicContact CD1-CZ 3.92Å
181	S	96.5	Very high	95.6	Very high	53 Å²	53	34.2 Å²	34.2	37%	0.371	17%	0.172	S	C	.	.			trans	-63.3	153.7	168.4	80.3	0	0	0	0	110.2	Q183 D184 T185	S181-Q183 PolarHBondContact O-N 3.46Å; S181-D184 WeakPolarHBondContact CB-OD2 3.4Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 PolarHBondContact OG-N 3.45Å; S181-D184 PolarHBondContact OG-OD2 3.04Å; S181-T185 WeakPolarHBondContact O-CG2 3.46Å; S181-T185 PolarHBondContact O-N 2.98Å
182	L	95.8	Very high	95.8	Very high	64 Å²	64	32 Å²	32	34%	0.335	16%	0.161	S	C	.	.	H	α-helix	trans	-52.3	-41.7	176.7	-174.5	64.5	0	0	0	111.9	D184 T185 H186 E217 Y229	L182-D184 VanDerWaalsContact C-N 3.33Å; L182-D184 PolarHBondContact O-N 2.81Å; L182-T185 PolarHBondContact O-N 2.75Å; L182-T185 PolarHBondContact O-OG1 2.73Å; L182-H186 PolarHBondContact O-N 3.32Å; L182-H186 PolarHBondContact O-ND1 2.69Å; L182-H186 VanDerWaalsContact O-ND1 3.09Å; L182-E217 HydrophobicContact CD1-CG 3.79Å; L182-Y229 PolarHBondContact N-OH 3.09Å
183	Q	93.6	Very high	96	Very high	109 Å²	109	30 Å²	30	51%	0.509	15%	0.147	S	C	.	.	H	α-helix	trans	-64.3	-37.7	177.9	-66.5	-174.4	8.8	0	0	112.7	S181 M187	S181-Q183 PolarHBondContact O-N 3.46Å; Q183-M187 PolarHBondContact O-N 3.35Å
184	D	95.8	Very high	96.2	Very high	67 Å²	67	31.8 Å²	31.8	36%	0.358	16%	0.16	S	C	.	.	H	α-helix	trans	-73.5	-30.4	177.8	-64.3	-40.4	0	0	0	112.1	L180 S181 L182 H186 M187 A188	L180-D184 HydrophobicContact CB-CB 4.12Å; L180-D184 HydrophobicContact CD2-CB 4.22Å; S181-D184 WeakPolarHBondContact CB-OD2 3.4Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 PolarHBondContact OG-N 3.45Å; S181-D184 PolarHBondContact OG-OD2 3.04Å; L182-D184 VanDerWaalsContact C-N 3.33Å; L182-D184 PolarHBondContact O-N 2.81Å; D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 3.17Å; D184-M187 PolarHBondContact O-N 3.44Å; D184-A188 WeakPolarHBondContact O-CB 3.3Å; D184-A188 PolarHBondContact O-N 3.26Å
185	T	98	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-41.8	173.8	69.4	0	0	0	0	111.7	L180 S181 L182 A188 C189 W228 Y229 F232	L180-T185 HydrophobicContact CB-CG2 4.1Å; S181-T185 WeakPolarHBondContact O-CG2 3.46Å; S181-T185 PolarHBondContact O-N 2.98Å; L182-T185 PolarHBondContact O-N 2.75Å; L182-T185 PolarHBondContact O-OG1 2.73Å; T185-A188 WeakPolarHBondContact O-CB 3.48Å; T185-A188 PolarHBondContact O-N 3.41Å; T185-C189 PolarHBondContact O-N 3.45Å; T185-C189 PolarHBondContact O-SG 3.49Å; T185-C189 VanDerWaalsContact O-SG 3.38Å; T185-W228 PolarHBondContact OG1-NE1 3.48Å; T185-Y229 HydrophobicContact CG2-CD1 4.33Å; T185-Y229 HydrophobicContact CG2-CE1 3.92Å; T185-F232 HydrophobicContact CG2-CD1 3.65Å; T185-F232 HydrophobicContact CG2-CE1 3.69Å; T185-F232 HydrophobicContact CG2-CG 4.23Å; T185-F232 HydrophobicContact CG2-CZ 4.33Å
186	H	97.7	Very high	96.5	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.028	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-42.1	176.1	-59.6	125.2	0	0	0	112.5	L155 L182 D184 A188 C189 L190 E217 W228	L155-H186 HydrophobicContact CD1-CB 3.67Å; L155-H186 HydrophobicContact CD2-CB 3.52Å; L155-H186 HydrophobicContact CG-CB 4.24Å; L182-H186 PolarHBondContact O-N 3.32Å; L182-H186 PolarHBondContact O-ND1 2.69Å; L182-H186 VanDerWaalsContact O-ND1 3.09Å; D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 3.17Å; H186-A188 VanDerWaalsContact C-N 3.34Å; H186-C189 PolarHBondContact O-N 2.91Å; H186-L190 PolarHBondContact O-N 3.35Å; H186-L190 VanDerWaalsContact O-N 3.15Å; H186-E217 WeakPolarHBondContact NE2-CB 3.44Å; H186-W228 AromaticContact CD2-CZ2 3.9Å
187	M	97.1	Very high	96.6	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-36.6	175.7	-72.6	-64.2	178.3	0	0	111.9	L155 C158 P161 Q183 D184 L190 S191	L155-M187 HydrophobicContact CD2-CE 3.57Å; L155-M187 HydrophobicContact CD2-CG 3.97Å; L155-M187 HydrophobicContact CD2-SD 3.61Å; L155-M187 HydrophobicContact CG-CE 4.22Å; C158-M187 HydrophobicContact CB-CE 3.76Å; P161-M187 HydrophobicContact CG-CB 4.42Å; Q183-M187 PolarHBondContact O-N 3.35Å; D184-M187 PolarHBondContact O-N 3.44Å; M187-L190 PolarHBondContact O-N 2.75Å; M187-L190 HydrophobicContact SD-CD1 4.16Å; M187-S191 WeakPolarHBondContact O-CB 3.43Å; M187-S191 PolarHBondContact O-N 2.94Å
188	A	98.2	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-44.5	174.4	0	0	0	0	0	111.4	L166 F170 L180 D184 T185 H186 L190 S191 M192 F232	L166-A188 HydrophobicContact CD1-CB 3.7Å; F170-A188 HydrophobicContact CE2-CB 3.94Å; F170-A188 HydrophobicContact CZ-CB 3.82Å; L180-A188 HydrophobicContact CD1-CB 4.12Å; D184-A188 WeakPolarHBondContact O-CB 3.3Å; D184-A188 PolarHBondContact O-N 3.26Å; T185-A188 WeakPolarHBondContact O-CB 3.48Å; T185-A188 PolarHBondContact O-N 3.41Å; H186-A188 VanDerWaalsContact C-N 3.34Å; A188-L190 PolarHBondContact O-N 3.29Å; A188-S191 WeakPolarHBondContact O-CB 3.49Å; A188-S191 PolarHBondContact O-N 3.4Å; A188-S191 VanDerWaalsContact O-N 3.15Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.33Å; A188-M192 PolarHBondContact O-N 3.33Å; A188-F232 HydrophobicContact CB-CE2 3.73Å; A188-F232 HydrophobicContact CB-CZ 3.54Å
189	C	98.6	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-48.8	171.8	-71.1	0	0	0	0	112	T185 H186 S191 M192 F193 L213	T185-C189 PolarHBondContact O-N 3.45Å; T185-C189 PolarHBondContact O-SG 3.49Å; T185-C189 VanDerWaalsContact O-SG 3.38Å; H186-C189 PolarHBondContact O-N 2.91Å; C189-S191 VanDerWaalsContact C-N 3.31Å; C189-S191 PolarHBondContact O-N 3.42Å; C189-M192 HydrophobicContact CB-CE 4.35Å; C189-M192 PolarHBondContact O-N 2.94Å; C189-F193 VanDerWaalsContact O-CD2 3.3Å; C189-F193 WeakPolarHBondContact O-CD2 3.35Å; C189-F193 PolarHBondContact O-N 3.21Å; C189-F193 VanDerWaalsContact O-N 3.1Å; C189-L213 HydrophobicContact CB-CD1 3.62Å; C189-L213 HydrophobicContact CB-CD2 3.65Å; C189-L213 HydrophobicContact CB-CG 4.28Å
190	L	98.2	Very high	96.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-44	174.9	-67.9	176.6	0	0	0	112.1	L155 I160 H186 M187 A188 M192 F193 V194 L209 L213	L155-L190 HydrophobicContact CB-CD1 4.26Å; L155-L190 HydrophobicContact CD2-CD1 3.79Å; L155-L190 VanDerWaalsContact O-CD1 3.22Å; L155-L190 WeakPolarHBondContact O-CD1 3.35Å; I160-L190 HydrophobicContact CD1-CB 4.28Å; I160-L190 HydrophobicContact CG1-CB 4.45Å; I160-L190 HydrophobicContact CG2-CB 4.27Å; H186-L190 PolarHBondContact O-N 3.35Å; H186-L190 VanDerWaalsContact O-N 3.15Å; M187-L190 PolarHBondContact O-N 2.75Å; M187-L190 HydrophobicContact SD-CD1 4.16Å; A188-L190 PolarHBondContact O-N 3.29Å; L190-M192 PolarHBondContact O-N 2.9Å; L190-F193 PolarHBondContact O-N 3.16Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.38Å; L190-L209 HydrophobicContact CD2-CB 4.34Å; L190-L209 HydrophobicContact CD2-CD2 3.62Å; L190-L209 HydrophobicContact CD2-CG 3.75Å; L190-L213 HydrophobicContact CD2-CD1 3.9Å; L190-L213 HydrophobicContact CG-CD1 4.06Å
191	S	98.1	Very high	96.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-44.1	177.8	-166.7	0	0	0	0	112	P161 P163 M187 A188 C189 V194 D195	P161-S191 WeakPolarHBondContact O-CB 3.37Å; P161-S191 PolarHBondContact O-OG 2.94Å; P163-S191 VanDerWaalsContact CD-OG 3.24Å; P163-S191 WeakPolarHBondContact CD-OG 3.48Å; P163-S191 WeakPolarHBondContact CG-OG 3.5Å; M187-S191 WeakPolarHBondContact O-CB 3.43Å; M187-S191 PolarHBondContact O-N 2.94Å; A188-S191 WeakPolarHBondContact O-CB 3.49Å; A188-S191 PolarHBondContact O-N 3.4Å; A188-S191 VanDerWaalsContact O-N 3.15Å; C189-S191 VanDerWaalsContact C-N 3.31Å; C189-S191 PolarHBondContact O-N 3.42Å; S191-V194 PolarHBondContact O-N 3.38Å; S191-D195 VanDerWaalsContact O-CB 3.29Å; S191-D195 WeakPolarHBondContact O-CB 3.16Å; S191-D195 PolarHBondContact O-N 3.39Å
192	M	98.6	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-44.3	176.7	-68.1	-173.1	-64.3	0	0	112.2	F170 A188 C189 L190 V194 L196 F232 H236 Y239	F170-M192 HydrophobicContact CE1-CG 4.17Å; F170-M192 HydrophobicContact CE1-SD 4.46Å; F170-M192 HydrophobicContact CZ-CG 4.39Å; F170-M192 HydrophobicContact CZ-SD 4.36Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.33Å; A188-M192 PolarHBondContact O-N 3.33Å; C189-M192 HydrophobicContact CB-CE 4.35Å; C189-M192 PolarHBondContact O-N 2.94Å; L190-M192 PolarHBondContact O-N 2.9Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.77Å; M192-L196 WeakPolarHBondContact O-CB 3.18Å; M192-L196 WeakPolarHBondContact O-CG 3.22Å; M192-L196 PolarHBondContact O-N 2.87Å; M192-F232 HydrophobicContact CE-CD2 4.41Å; M192-F232 HydrophobicContact CE-CE2 3.95Å; M192-H236 HydrophobicContact SD-CB 4.4Å; M192-Y239 HydrophobicContact CB-CD2 3.6Å; M192-Y239 HydrophobicContact CB-CE2 4.1Å; M192-Y239 HydrophobicContact CB-CG 3.92Å; M192-Y239 HydrophobicContact CG-CD1 3.77Å; M192-Y239 HydrophobicContact CG-CD2 3.62Å; M192-Y239 HydrophobicContact CG-CE1 4.17Å; M192-Y239 HydrophobicContact CG-CE2 4.06Å; M192-Y239 HydrophobicContact CG-CG 3.47Å; M192-Y239 VanDerWaalsContact CG-CG 3.47Å; M192-Y239 WeakPolarHBondContact SD-CB 3.35Å; M192-Y239 HydrophobicContact SD-CD1 3.75Å; M192-Y239 HydrophobicContact SD-CD2 4.21Å; M192-Y239 HydrophobicContact SD-CG 3.49Å
193	F	98.4	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-36.1	177.7	-89.6	-101.3	0	0	0	112.9	C189 L190 L198 M199 I204 L209 L258 L261 V262 L265	C189-F193 VanDerWaalsContact O-CD2 3.3Å; C189-F193 WeakPolarHBondContact O-CD2 3.35Å; C189-F193 PolarHBondContact O-N 3.21Å; C189-F193 VanDerWaalsContact O-N 3.1Å; L190-F193 PolarHBondContact O-N 3.16Å; F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 HydrophobicContact CD1-CD1 4.39Å; F193-L198 PolarHBondContact O-N 2.67Å; F193-M199 HydrophobicContact CB-CG 3.82Å; F193-M199 HydrophobicContact CB-SD 4.32Å; F193-M199 PolarHBondContact O-N 3.49Å; F193-I204 HydrophobicContact CD1-CD1 4.12Å; F193-I204 HydrophobicContact CE1-CD1 4.14Å; F193-L209 HydrophobicContact CB-CD2 3.93Å; F193-L209 HydrophobicContact CD1-CD1 4.4Å; F193-L209 HydrophobicContact CD1-CD2 3.96Å; F193-L209 HydrophobicContact CD2-CD2 4.31Å; F193-L209 HydrophobicContact CE1-CD1 4.18Å; F193-L209 HydrophobicContact CE2-CD1 4.33Å; F193-L209 HydrophobicContact CG-CD2 3.82Å; F193-L209 HydrophobicContact CZ-CD1 4.14Å; F193-L258 HydrophobicContact CE1-CD1 3.9Å; F193-L261 HydrophobicContact CD2-CD2 3.87Å; F193-L261 HydrophobicContact CE2-CD2 3.7Å; F193-L261 HydrophobicContact CE2-CG 4.14Å; F193-L261 HydrophobicContact CG-CD2 4.39Å; F193-L261 HydrophobicContact CZ-CD2 4.07Å; F193-L261 HydrophobicContact CZ-CG 4.4Å; F193-V262 HydrophobicContact CE1-CG2 4.26Å; F193-V262 HydrophobicContact CZ-CG2 3.88Å; F193-L265 HydrophobicContact CE2-CD1 3.93Å; F193-L265 HydrophobicContact CZ-CD1 4.43Å
194	V	97.7	Very high	96.2	Very high	65 Å²	65	27.6 Å²	27.6	39%	0.394	15%	0.148	S	C	.	.	H	α-helix	trans	-71.5	-49.1	175.5	172	0	0	0	0	111.2	I160 L190 S191 M192 L196 G197 M199	I160-V194 HydrophobicContact CD1-CG2 3.65Å; I160-V194 HydrophobicContact CG2-CG2 4.39Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.38Å; S191-V194 PolarHBondContact O-N 3.38Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.77Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 3.09Å; V194-G197 WeakPolarHBondContact O-CA 3.19Å; V194-G197 PolarHBondContact O-N 2.94Å; V194-M199 HydrophobicContact CG2-CG 4.33Å; V194-M199 HydrophobicContact CG2-SD 3.4Å; V194-M199 WeakPolarHBondContact CG2-SD 3.32Å
195	D	97.8	Very high	96.2	Very high	57 Å²	57	29.8 Å²	29.8	31%	0.305	15%	0.154	S	C	.	.	H	α-helix	trans	-64.8	-34.9	-176.4	-177.8	69.1	0	0	0	112.3	P163 S191 G197 Y239 R243	P163-D195 HydrophobicContact CG-CB 4.01Å; S191-D195 VanDerWaalsContact O-CB 3.29Å; S191-D195 WeakPolarHBondContact O-CB 3.16Å; S191-D195 PolarHBondContact O-N 3.39Å; D195-G197 PolarHBondContact O-N 2.92Å; D195-Y239 HydrophobicContact CB-CE2 4.26Å; D195-Y239 WeakPolarHBondContact OD2-CE2 3.36Å; D195-Y239 PolarHBondContact OD2-OH 3.08Å; D195-R243 IonicContact OD1-NE 3.82Å; D195-R243 WeakPolarHBondContact OD2-CD 3.38Å; D195-R243 IonicContact OD2-NE 2.62Å; D195-R243 PolarHBondContact OD2-NE 2.94Å
196	L	97.2	Very high	96.2	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.131	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.3	171.8	-67.6	176.7	0	0	0	113.8	M192 V194 L198 Y239 L242 R243 L261	M192-L196 WeakPolarHBondContact O-CB 3.18Å; M192-L196 WeakPolarHBondContact O-CG 3.22Å; M192-L196 PolarHBondContact O-N 2.87Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 3.09Å; L196-L198 HydrophobicContact CB-CD1 4.05Å; L196-L198 HydrophobicContact CB-CG 3.82Å; L196-L198 HydrophobicContact CD1-CD1 3.94Å; L196-L198 PolarHBondContact O-N 3.05Å; L196-Y239 HydrophobicContact CD1-CD2 3.76Å; L196-Y239 HydrophobicContact CD1-CE2 4.46Å; L196-Y239 HydrophobicContact CD2-CD2 4.07Å; L196-Y239 HydrophobicContact CD2-CE2 4.14Å; L196-Y239 HydrophobicContact CG-CD2 3.71Å; L196-Y239 HydrophobicContact CG-CE2 3.91Å; L196-L242 HydrophobicContact CD1-CB 4.36Å; L196-L242 HydrophobicContact CD1-CD1 4.05Å; L196-L242 HydrophobicContact CD2-CB 3.94Å; L196-R243 HydrophobicContact CD2-CB 4.21Å; L196-L261 HydrophobicContact CD1-CD2 3.92Å
197	G	96.1	Very high	96.1	Very high	28 Å²	28	37 Å²	37	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	7.4	-177.7	0	0	0	0	0	114.8	V194 D195 M199 N200 L201	V194-G197 WeakPolarHBondContact O-CA 3.19Å; V194-G197 PolarHBondContact O-N 2.94Å; D195-G197 PolarHBondContact O-N 2.92Å; G197-M199 PolarHBondContact O-N 3.25Å; G197-N200 PolarHBondContact O-N 2.93Å; G197-L201 VanDerWaalsContact O-CB 3.31Å; G197-L201 WeakPolarHBondContact O-CB 3.16Å; G197-L201 PolarHBondContact O-N 3.03Å
198	L	95.9	Very high	96	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-37.8	-174.3	-64.2	175.8	0	0	0	112	F193 L196 N200 L201 F202 L258 L261	F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 HydrophobicContact CD1-CD1 4.39Å; F193-L198 PolarHBondContact O-N 2.67Å; L196-L198 HydrophobicContact CB-CD1 4.05Å; L196-L198 HydrophobicContact CB-CG 3.82Å; L196-L198 HydrophobicContact CD1-CD1 3.94Å; L196-L198 PolarHBondContact O-N 3.05Å; L198-N200 PolarHBondContact O-N 3.31Å; L198-L201 PolarHBondContact O-N 3.24Å; L198-F202 HydrophobicContact CD2-CD2 4.27Å; L198-F202 HydrophobicContact CD2-CE2 3.9Å; L198-F202 WeakPolarHBondContact O-CB 3.31Å; L198-F202 WeakPolarHBondContact O-CD2 3.42Å; L198-F202 PolarHBondContact O-N 3.46Å; L198-L258 HydrophobicContact CB-CD1 4.39Å; L198-L258 HydrophobicContact CD1-CD1 4.24Å; L198-L258 HydrophobicContact CD2-CB 4.26Å; L198-L261 HydrophobicContact CD1-CD2 3.81Å
199	M	94.7	Very high	96	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-47	178.5	-67.3	-169.2	61.3	0	0	112.5	F193 V194 G197 R203 I204 R206 L209	F193-M199 HydrophobicContact CB-CG 3.82Å; F193-M199 HydrophobicContact CB-SD 4.32Å; F193-M199 PolarHBondContact O-N 3.49Å; V194-M199 HydrophobicContact CG2-CG 4.33Å; V194-M199 HydrophobicContact CG2-SD 3.4Å; V194-M199 WeakPolarHBondContact CG2-SD 3.32Å; G197-M199 PolarHBondContact O-N 3.25Å; M199-R203 CarbonylContact O-C 3.48Å; M199-R203 VanDerWaalsContact O-CA 3.25Å; M199-R203 WeakPolarHBondContact O-CA 3.26Å; M199-R203 PolarHBondContact O-N 3Å; M199-I204 PolarHBondContact O-N 3.47Å; M199-R206 HydrophobicContact CE-CB 3.73Å; M199-R206 HydrophobicContact CE-CG 4.18Å; M199-L209 HydrophobicContact CE-CD2 4.36Å; M199-L209 HydrophobicContact CG-CD2 4.17Å; M199-L209 HydrophobicContact SD-CD2 3.95Å
200	N	93.5	Very high	96	Very high	139 Å²	139	37.3 Å²	37.3	74%	0.743	18%	0.182	S	C	*	.	H	α-helix	trans	-71.6	-44.2	-178	-71	-22.6	0	0	0	111.1	G197 L198 F202 R203	G197-N200 PolarHBondContact O-N 2.93Å; L198-N200 PolarHBondContact O-N 3.31Å; N200-F202 VanDerWaalsContact C-N 3.35Å; N200-F202 PolarHBondContact O-N 3.45Å; N200-R203 PolarHBondContact O-N 2.89Å
201	L	91.3	Very high	95.9	Very high	46 Å²	46	38.9 Å²	38.9	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-41.3	-176.7	-177.5	66	0	0	0	112.7	G197 L198 D254	G197-L201 VanDerWaalsContact O-CB 3.31Å; G197-L201 WeakPolarHBondContact O-CB 3.16Å; G197-L201 PolarHBondContact O-N 3.03Å; L198-L201 PolarHBondContact O-N 3.24Å; L201-D254 HydrophobicContact CD2-CB 3.41Å; L201-D254 VanDerWaalsContact CD2-CB 3.41Å; L201-D254 WeakPolarHBondContact CD2-OD2 3.37Å
202	F	91.6	Very high	95.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.018	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.7	-179.1	-65.8	-81.6	0	0	0	113.5	L198 N200 I204 D254 I255 L258 L320	L198-F202 HydrophobicContact CD2-CD2 4.27Å; L198-F202 HydrophobicContact CD2-CE2 3.9Å; L198-F202 WeakPolarHBondContact O-CB 3.31Å; L198-F202 WeakPolarHBondContact O-CD2 3.42Å; L198-F202 PolarHBondContact O-N 3.46Å; N200-F202 VanDerWaalsContact C-N 3.35Å; N200-F202 PolarHBondContact O-N 3.45Å; F202-I204 HydrophobicContact CB-CD1 4.19Å; F202-I204 HydrophobicContact CB-CG1 3.86Å; F202-I204 PolarHBondContact O-N 3.22Å; F202-D254 HydrophobicContact CE2-CB 4.21Å; F202-D254 WeakPolarHBondContact CE2-O 3.38Å; F202-D254 VanDerWaalsContact CZ-C 3.48Å; F202-D254 HydrophobicContact CZ-CB 3.9Å; F202-D254 WeakPolarHBondContact CZ-O 3.34Å; F202-I255 HydrophobicContact CE1-CG1 3.88Å; F202-I255 HydrophobicContact CZ-CG1 4.1Å; F202-L258 HydrophobicContact CB-CD2 4.3Å; F202-L258 HydrophobicContact CD1-CD2 3.74Å; F202-L258 HydrophobicContact CD2-CB 4.39Å; F202-L258 HydrophobicContact CD2-CD2 3.72Å; F202-L258 HydrophobicContact CD2-CG 4.45Å; F202-L258 HydrophobicContact CE1-CD2 3.93Å; F202-L258 HydrophobicContact CE2-CB 3.91Å; F202-L258 HydrophobicContact CE2-CD2 3.89Å; F202-L258 HydrophobicContact CE2-CG 4.43Å; F202-L258 HydrophobicContact CG-CD2 3.64Å; F202-L258 HydrophobicContact CZ-CB 4.18Å; F202-L258 HydrophobicContact CZ-CD2 4.01Å; F202-L320 HydrophobicContact CB-CD2 4.41Å; F202-L320 HydrophobicContact CD1-CD1 3.97Å; F202-L320 HydrophobicContact CD1-CD2 3.97Å
203	R	91.9	Very high	95.8	Very high	98 Å²	98	38.7 Å²	38.7	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.1	-177.7	-57.9	-179.6	176	173.5	3.6	112.4	M199 N200 K205 N319 R325	M199-R203 CarbonylContact O-C 3.48Å; M199-R203 VanDerWaalsContact O-CA 3.25Å; M199-R203 WeakPolarHBondContact O-CA 3.26Å; M199-R203 PolarHBondContact O-N 3Å; N200-R203 PolarHBondContact O-N 2.89Å; R203-K205 PolarHBondContact O-N 2.83Å; R203-N319 HydrophobicContact CB-CB 4.27Å; R203-N319 PolarHBondContact O-ND2 2.87Å; R203-R325 PolarHBondContact NH1-O 3.07Å; R203-R325 PolarHBondContact NH2-O 3.05Å
204	I	94.9	Very high	95.7	Very high	9 Å²	9	39 Å²	39	5%	0.046	19%	0.189	C	C	.	.			trans	-69	116.8	179.6	-56.8	175.7	0	0	0	108.1	F193 M199 F202 R206 L209 L258 I316	F193-I204 HydrophobicContact CD1-CD1 4.12Å; F193-I204 HydrophobicContact CE1-CD1 4.14Å; M199-I204 PolarHBondContact O-N 3.47Å; F202-I204 HydrophobicContact CB-CD1 4.19Å; F202-I204 HydrophobicContact CB-CG1 3.86Å; F202-I204 PolarHBondContact O-N 3.22Å; I204-R206 PolarHBondContact O-N 2.71Å; I204-L209 HydrophobicContact CG2-CB 3.88Å; I204-L209 HydrophobicContact CG2-CD2 4.37Å; I204-L258 HydrophobicContact CD1-CD1 3.96Å; I204-I316 HydrophobicContact CG2-CB 3.96Å; I204-I316 HydrophobicContact CG2-CG2 4.2Å
205	K	95.6	Very high	95.6	Very high	112 Å²	112	36 Å²	36	49%	0.487	17%	0.171	S	C	.	.			trans	-66.5	122.5	175.7	-68	-178.8	-179	176.9	0	108.6	R203 R207 K208 L209	R203-K205 PolarHBondContact O-N 2.83Å; K205-R207 VanDerWaalsContact C-N 3.25Å; K205-R207 PolarHBondContact O-N 2.91Å; K205-K208 HydrophobicContact CB-CB 4.3Å; K205-K208 HydrophobicContact CB-CG 4.14Å; K205-K208 PolarHBondContact O-N 3.42Å; K205-L209 PolarHBondContact O-N 2.81Å
206	R	96.3	Very high	95.6	Very high	56 Å²	56	33.3 Å²	33.3	21%	0.211	16%	0.156	C	C	.	.	H	α-helix	trans	-48.5	-47.3	178.6	-174.1	177.7	173.5	175.6	5.7	112.5	L155 S156 C158 I160 M199 I204 K208 L209 S210	L155-R206 PolarHBondContact O-NE 3.26Å; L155-R206 PolarHBondContact O-NH2 3.31Å; S156-R206 VanDerWaalsContact C-CZ 3.48Å; S156-R206 VanDerWaalsContact O-CD 3.22Å; S156-R206 WeakPolarHBondContact O-CD 3.47Å; S156-R206 PolarHBondContact O-NE 2.71Å; S156-R206 VanDerWaalsContact O-NE 3.1Å; S156-R206 PolarHBondContact O-NH1 3.3Å; C158-R206 PolarHBondContact O-NH1 2.77Å; C158-R206 PolarHBondContact O-NH2 3.23Å; I160-R206 VanDerWaalsContact CG1-CZ 3.44Å; I160-R206 VanDerWaalsContact CG1-NH2 3.35Å; M199-R206 HydrophobicContact CE-CB 3.73Å; M199-R206 HydrophobicContact CE-CG 4.18Å; I204-R206 PolarHBondContact O-N 2.71Å; R206-K208 VanDerWaalsContact C-N 3.31Å; R206-K208 PolarHBondContact O-N 3.11Å; R206-L209 CarbonylContact O-C 3.48Å; R206-L209 PolarHBondContact O-N 3.23Å; R206-L209 VanDerWaalsContact O-N 3.14Å; R206-S210 PolarHBondContact O-N 3.38Å; R206-S210 PolarHBondContact O-OG 3.14Å
207	R	96.2	Very high	95.6	Very high	101 Å²	101	34.7 Å²	34.7	38%	0.381	16%	0.162	S	C	.	.	H	α-helix	trans	-59.9	-36	178.8	180	173.4	171.1	84.6	-12.2	113.8	E149 V152 S156 K205 R211	E149-R207 IonicContact OE1-CZ 3.4Å; E149-R207 IonicContact OE1-NH1 2.91Å; E149-R207 PolarHBondContact OE1-NH1 3.5Å; E149-R207 IonicContact OE1-NH2 3.02Å; E149-R207 PolarHBondContact OE1-NH2 3.34Å; E149-R207 IonicContact OE2-NH2 2.94Å; V152-R207 HydrophobicContact CG1-CG 4.14Å; S156-R207 WeakPolarHBondContact OG-CA 3.48Å; K205-R207 VanDerWaalsContact C-N 3.25Å; K205-R207 PolarHBondContact O-N 2.91Å; R207-R211 VanDerWaalsContact CG-NH1 3.33Å; R207-R211 VanDerWaalsContact CZ-NH1 3.25Å; R207-R211 VanDerWaalsContact NE-NH1 3.11Å; R207-R211 PolarHBondContact O-N 2.88Å
208	K	96	Very high	95.5	Very high	23 Å²	23	37.7 Å²	37.7	10%	0.1	17%	0.167	C	C	.	.	H	α-helix	trans	-71.4	-43.4	174.7	-67.7	-158.1	177.1	-159.5	0	110.8	K205 R206 S210 R211 F212 E312 E313 N315 A318	K205-K208 HydrophobicContact CB-CB 4.3Å; K205-K208 HydrophobicContact CB-CG 4.14Å; K205-K208 PolarHBondContact O-N 3.42Å; R206-K208 VanDerWaalsContact C-N 3.31Å; R206-K208 PolarHBondContact O-N 3.11Å; K208-S210 VanDerWaalsContact C-N 3.34Å; K208-S210 PolarHBondContact O-N 3.27Å; K208-R211 PolarHBondContact O-N 3.15Å; K208-F212 VanDerWaalsContact O-CB 3.29Å; K208-F212 WeakPolarHBondContact O-CB 3.29Å; K208-F212 PolarHBondContact O-N 3.39Å; K208-E312 VanDerWaalsContact CE-O 3.27Å; K208-E312 WeakPolarHBondContact CE-O 3.48Å; K208-E312 PolarHBondContact NZ-O 3.42Å; K208-E312 IonicContact NZ-OE1 2.83Å; K208-E312 PolarHBondContact NZ-OE1 2.8Å; K208-E313 VanDerWaalsContact CA-O 3.29Å; K208-E313 WeakPolarHBondContact CA-O 3.13Å; K208-E313 WeakPolarHBondContact CG-O 3.37Å; K208-N315 WeakPolarHBondContact CD-O 3.38Å; K208-A318 HydrophobicContact CD-CB 4.5Å
209	L	97.6	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.3	-177.1	58.9	0	0	0	112.3	L190 F193 M199 I204 K205 R206 F212 L213 I316	L190-L209 HydrophobicContact CD2-CB 4.34Å; L190-L209 HydrophobicContact CD2-CD2 3.62Å; L190-L209 HydrophobicContact CD2-CG 3.75Å; F193-L209 HydrophobicContact CB-CD2 3.93Å; F193-L209 HydrophobicContact CD1-CD1 4.4Å; F193-L209 HydrophobicContact CD1-CD2 3.96Å; F193-L209 HydrophobicContact CD2-CD2 4.31Å; F193-L209 HydrophobicContact CE1-CD1 4.18Å; F193-L209 HydrophobicContact CE2-CD1 4.33Å; F193-L209 HydrophobicContact CG-CD2 3.82Å; F193-L209 HydrophobicContact CZ-CD1 4.14Å; M199-L209 HydrophobicContact CE-CD2 4.36Å; M199-L209 HydrophobicContact CG-CD2 4.17Å; M199-L209 HydrophobicContact SD-CD2 3.95Å; I204-L209 HydrophobicContact CG2-CB 3.88Å; I204-L209 HydrophobicContact CG2-CD2 4.37Å; K205-L209 PolarHBondContact O-N 2.81Å; R206-L209 CarbonylContact O-C 3.48Å; R206-L209 PolarHBondContact O-N 3.23Å; R206-L209 VanDerWaalsContact O-N 3.14Å; L209-F212 HydrophobicContact CD1-CD1 4.19Å; L209-F212 PolarHBondContact O-N 2.62Å; L209-L213 HydrophobicContact CD1-CD1 4.18Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 4.02Å; L209-L213 HydrophobicContact CG-CG 4.4Å; L209-L213 WeakPolarHBondContact O-CB 3.27Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 2.81Å; L209-I316 HydrophobicContact CB-CG2 4.17Å; L209-I316 HydrophobicContact CD1-CG2 4.03Å
210	S	97.7	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-47	175.4	-60.1	0	0	0	0	112.1	L155 R206 K208 L214	L155-S210 WeakPolarHBondContact CB-OG 3.4Å; L155-S210 PolarHBondContact O-OG 3.15Å; R206-S210 PolarHBondContact O-N 3.38Å; R206-S210 PolarHBondContact O-OG 3.14Å; K208-S210 VanDerWaalsContact C-N 3.34Å; K208-S210 PolarHBondContact O-N 3.27Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.43Å; S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å
211	R	96.1	Very high	95.8	Very high	32 Å²	32	36.7 Å²	36.7	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175	-88.8	-169.4	-174.7	82.2	7	112.7	E149 V152 R207 K208 L214 S215	E149-R211 IonicContact OE1-NH2 3.13Å; E149-R211 PolarHBondContact OE1-NH2 3.08Å; E149-R211 IonicContact OE2-CZ 3.28Å; E149-R211 IonicContact OE2-NH2 3.89Å; E149-R211 PolarHBondContact OE2-NH2 2.92Å; V152-R211 HydrophobicContact CB-CG 4.32Å; V152-R211 HydrophobicContact CG1-CG 3.79Å; V152-R211 HydrophobicContact CG2-CG 3.49Å; V152-R211 VanDerWaalsContact CG2-CG 3.49Å; R207-R211 VanDerWaalsContact CG-NH1 3.33Å; R207-R211 VanDerWaalsContact CZ-NH1 3.25Å; R207-R211 VanDerWaalsContact NE-NH1 3.11Å; R207-R211 PolarHBondContact O-N 2.88Å; K208-R211 PolarHBondContact O-N 3.15Å; R211-L214 PolarHBondContact O-N 2.71Å; R211-S215 WeakPolarHBondContact O-CB 3.23Å; R211-S215 PolarHBondContact O-N 3.13Å; R211-S215 PolarHBondContact O-OG 2.95Å
212	F	96.8	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-53.2	176.6	176.5	-108.2	0	0	0	110.8	K208 L209 L214 S215 L216 V262 I308 L309 C314 I316	K208-F212 VanDerWaalsContact O-CB 3.29Å; K208-F212 WeakPolarHBondContact O-CB 3.29Å; K208-F212 PolarHBondContact O-N 3.39Å; L209-F212 HydrophobicContact CD1-CD1 4.19Å; L209-F212 PolarHBondContact O-N 2.62Å; F212-L214 PolarHBondContact O-N 3.38Å; F212-S215 PolarHBondContact O-N 3.11Å; F212-S215 VanDerWaalsContact O-N 3.13Å; F212-L216 HydrophobicContact CD1-CD1 4.01Å; F212-L216 HydrophobicContact CD1-CG 4.36Å; F212-L216 HydrophobicContact CD2-CG 4.43Å; F212-L216 HydrophobicContact CE1-CD1 3.43Å; F212-L216 VanDerWaalsContact CE1-CD1 3.43Å; F212-L216 HydrophobicContact CE1-CG 4.05Å; F212-L216 HydrophobicContact CE2-CD1 4.28Å; F212-L216 HydrophobicContact CE2-CD2 3.97Å; F212-L216 HydrophobicContact CE2-CG 4.1Å; F212-L216 HydrophobicContact CZ-CD1 3.59Å; F212-L216 HydrophobicContact CZ-CD2 3.95Å; F212-L216 HydrophobicContact CZ-CG 3.92Å; F212-L216 WeakPolarHBondContact O-CG 3.22Å; F212-L216 PolarHBondContact O-N 2.87Å; F212-V262 HydrophobicContact CE1-CG1 4.37Å; F212-V262 HydrophobicContact CZ-CG1 4.07Å; F212-I308 HydrophobicContact CD2-CG2 3.79Å; F212-I308 HydrophobicContact CE2-CG2 4.02Å; F212-L309 HydrophobicContact CD2-CD2 4.07Å; F212-L309 HydrophobicContact CE2-CD2 3.64Å; F212-L309 HydrophobicContact CE2-CG 4.15Å; F212-L309 HydrophobicContact CZ-CD2 4.34Å; F212-C314 HydrophobicContact CB-CB 4.47Å; F212-I316 HydrophobicContact CB-CG2 3.69Å; F212-I316 HydrophobicContact CD1-CD1 4.06Å; F212-I316 HydrophobicContact CD1-CG2 4.06Å; F212-I316 HydrophobicContact CE1-CD1 3.9Å; F212-I316 HydrophobicContact CG-CG2 3.86Å; F212-I316 HydrophobicContact CZ-CD1 4.33Å
213	L	98.1	Very high	96.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-42.8	179.3	-69.1	169.6	0	0	0	112.9	C189 L190 L209 S215 L216 E217 W228 L265	C189-L213 HydrophobicContact CB-CD1 3.62Å; C189-L213 HydrophobicContact CB-CD2 3.65Å; C189-L213 HydrophobicContact CB-CG 4.28Å; L190-L213 HydrophobicContact CD2-CD1 3.9Å; L190-L213 HydrophobicContact CG-CD1 4.06Å; L209-L213 HydrophobicContact CD1-CD1 4.18Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 4.02Å; L209-L213 HydrophobicContact CG-CG 4.4Å; L209-L213 WeakPolarHBondContact O-CB 3.27Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 2.81Å; L213-S215 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 3.14Å; L213-E217 PolarHBondContact O-N 2.7Å; L213-W228 HydrophobicContact CD2-CH2 4.47Å; L213-L265 HydrophobicContact CD2-CD1 3.89Å
214	L	97.1	Very high	96.5	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-36.2	176	-69.9	168.8	0	0	0	112.3	I147 D151 V152 L155 S210 R211 F212 K218	I147-L214 HydrophobicContact CD1-CB 4.05Å; I147-L214 HydrophobicContact CG1-CB 4.11Å; I147-L214 HydrophobicContact CG2-CB 3.73Å; I147-L214 HydrophobicContact CG2-CD1 3.41Å; I147-L214 VanDerWaalsContact CG2-CD1 3.41Å; I147-L214 HydrophobicContact CG2-CG 4.16Å; D151-L214 HydrophobicContact CB-CD1 3.79Å; D151-L214 HydrophobicContact CB-CD2 4.24Å; V152-L214 HydrophobicContact CG2-CD1 3.88Å; L155-L214 HydrophobicContact CD1-CD1 3.82Å; L155-L214 HydrophobicContact CD1-CD2 3.62Å; L155-L214 HydrophobicContact CD1-CG 3.61Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.43Å; S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å; R211-L214 PolarHBondContact O-N 2.71Å; F212-L214 PolarHBondContact O-N 3.38Å; L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 PolarHBondContact O-N 2.86Å; L214-K218 VanDerWaalsContact O-N 3.11Å
215	S	95.7	Very high	96.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-37	177.2	-53.5	0	0	0	0	111.6	Q145 R211 F212 L213 A219 C314	Q145-S215 PolarHBondContact NE2-O 3.32Å; Q145-S215 VanDerWaalsContact OE1-CA 3.28Å; Q145-S215 PolarHBondContact OE1-O 3.5Å; Q145-S215 VanDerWaalsContact OE1-O 3.05Å; R211-S215 WeakPolarHBondContact O-CB 3.23Å; R211-S215 PolarHBondContact O-N 3.13Å; R211-S215 PolarHBondContact O-OG 2.95Å; F212-S215 PolarHBondContact O-N 3.11Å; F212-S215 VanDerWaalsContact O-N 3.13Å; L213-S215 VanDerWaalsContact C-N 3.34Å; S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 3.3Å; S215-A219 VanDerWaalsContact O-N 3.07Å; S215-C314 PolarHBondContact OG-SG 3.43Å; S215-C314 VanDerWaalsContact OG-SG 3.38Å
216	L	96.9	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-55.3	172.3	-70.7	-172	0	0	0	110.4	F212 L213 K218 A219 Y220 W228 L265 I269 I308	F212-L216 HydrophobicContact CD1-CD1 4.01Å; F212-L216 HydrophobicContact CD1-CG 4.36Å; F212-L216 HydrophobicContact CD2-CG 4.43Å; F212-L216 HydrophobicContact CE1-CD1 3.43Å; F212-L216 VanDerWaalsContact CE1-CD1 3.43Å; F212-L216 HydrophobicContact CE1-CG 4.05Å; F212-L216 HydrophobicContact CE2-CD1 4.28Å; F212-L216 HydrophobicContact CE2-CD2 3.97Å; F212-L216 HydrophobicContact CE2-CG 4.1Å; F212-L216 HydrophobicContact CZ-CD1 3.59Å; F212-L216 HydrophobicContact CZ-CD2 3.95Å; F212-L216 HydrophobicContact CZ-CG 3.92Å; F212-L216 WeakPolarHBondContact O-CG 3.22Å; F212-L216 PolarHBondContact O-N 2.87Å; L213-L216 PolarHBondContact O-N 3.14Å; L216-K218 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 2.9Å; L216-A219 WeakPolarHBondContact O-CA 3.34Å; L216-A219 WeakPolarHBondContact O-CB 3.33Å; L216-A219 PolarHBondContact O-N 3.13Å; L216-Y220 VanDerWaalsContact O-CD2 3.23Å; L216-Y220 WeakPolarHBondContact O-CD2 3.32Å; L216-Y220 PolarHBondContact O-N 2.73Å; L216-W228 HydrophobicContact CB-CH2 4.42Å; L216-W228 HydrophobicContact CB-CZ3 3.77Å; L216-L265 HydrophobicContact CD1-CB 3.84Å; L216-I269 HydrophobicContact CD2-CD1 3.45Å; L216-I269 VanDerWaalsContact CD2-CD1 3.45Å; L216-I269 HydrophobicContact CD2-CG1 4.3Å; L216-I308 HydrophobicContact CD2-CD1 3.84Å
217	E	97	Very high	96.9	Very high	53 Å²	53	35.2 Å²	35.2	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-53	-47.9	179.7	-179.5	-85.8	159.5	0	0	111.7	L182 H186 L213 A219 Y220 W228	L182-E217 HydrophobicContact CD1-CG 3.79Å; H186-E217 WeakPolarHBondContact NE2-CB 3.44Å; L213-E217 PolarHBondContact O-N 2.7Å; E217-A219 PolarHBondContact O-N 3.24Å; E217-Y220 PolarHBondContact O-N 3.23Å; E217-Y220 VanDerWaalsContact O-N 3.13Å; E217-W228 HydrophobicContact CB-CD2 3.71Å; E217-W228 HydrophobicContact CB-CE3 3.88Å; E217-W228 HydrophobicContact CB-CG 4.14Å; E217-W228 HydrophobicContact CB-CH2 4.34Å; E217-W228 HydrophobicContact CB-CZ2 4.22Å; E217-W228 HydrophobicContact CB-CZ3 4.19Å; E217-W228 HydrophobicContact CG-CB 4.24Å; E217-W228 HydrophobicContact CG-CD2 3.8Å; E217-W228 HydrophobicContact CG-CE3 4.43Å; E217-W228 HydrophobicContact CG-CG 3.69Å
218	K	95.2	Very high	97	Very high	92 Å²	92	30.8 Å²	30.8	40%	0.4	15%	0.147	S	C	.	.	H	α-helix	trans	-63	-25.6	176.9	-167	175.1	-170.1	-168.2	0	114	T144 K146 I147 L214 L216	T144-K218 WeakPolarHBondContact O-CE 3.04Å; T144-K218 PolarHBondContact O-NZ 3.07Å; K146-K218 PolarHBondContact O-NZ 3.17Å; I147-K218 HydrophobicContact CD1-CB 4.25Å; I147-K218 HydrophobicContact CD1-CD 3.75Å; L214-K218 WeakPolarHBondContact O-CB 3.45Å; L214-K218 PolarHBondContact O-N 2.86Å; L214-K218 VanDerWaalsContact O-N 3.11Å; L216-K218 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 2.9Å
219	A	95.3	Very high	97.1	Very high	11 Å²	11	33.1 Å²	33.1	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-82	-16.4	178.8	0	0	0	0	0	113.3	S215 L216 E217 I269 D270 I308	S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 3.3Å; S215-A219 VanDerWaalsContact O-N 3.07Å; L216-A219 WeakPolarHBondContact O-CA 3.34Å; L216-A219 WeakPolarHBondContact O-CB 3.33Å; L216-A219 PolarHBondContact O-N 3.13Å; E217-A219 PolarHBondContact O-N 3.24Å; A219-I269 HydrophobicContact CB-CG2 3.49Å; A219-I269 VanDerWaalsContact CB-CG2 3.49Å; A219-D270 WeakPolarHBondContact O-CA 3.27Å; A219-D270 PolarHBondContact O-N 3.04Å; A219-I308 HydrophobicContact CB-CD1 3.87Å
220	Y	97.7	Very high	97.1	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.071	16%	0.156	C	C	.	.	S	Bend	trans	-76.8	137.7	172.1	-82	-88	0	0	0	110.7	L216 E217 W228 A231 L265 D268 I269	L216-Y220 VanDerWaalsContact O-CD2 3.23Å; L216-Y220 WeakPolarHBondContact O-CD2 3.32Å; L216-Y220 PolarHBondContact O-N 2.73Å; E217-Y220 PolarHBondContact O-N 3.23Å; E217-Y220 VanDerWaalsContact O-N 3.13Å; Y220-W228 HydrophobicContact CD2-CB 4.5Å; Y220-W228 AromaticContact CD2-CE3 3.71Å; Y220-W228 HydrophobicContact CD2-CE3 3.71Å; Y220-W228 HydrophobicContact CD2-CZ3 4.43Å; Y220-W228 AromaticContact CE2-CE3 3.96Å; Y220-W228 HydrophobicContact CE2-CE3 3.96Å; Y220-W228 HydrophobicContact CE2-CZ3 4.35Å; Y220-W228 HydrophobicContact CG-CB 4.31Å; Y220-A231 HydrophobicContact CE1-CB 3.68Å; Y220-A231 HydrophobicContact CE2-CB 3.85Å; Y220-A231 WeakPolarHBondContact OH-CB 3.1Å; Y220-L265 WeakPolarHBondContact CE2-O 3.5Å; Y220-L265 PolarHBondContact OH-O 3.22Å; Y220-D268 HydrophobicContact CE1-CB 3.63Å; Y220-D268 WeakPolarHBondContact CE1-O 3.4Å; Y220-D268 PolarHBondContact OH-N 3.41Å; Y220-I269 HydrophobicContact CD2-CG1 4.34Å; Y220-I269 HydrophobicContact CE2-CG1 3.62Å; Y220-I269 PolarHBondContact OH-N 2.84Å
221	R	96.3	Very high	97.2	Very high	107 Å²	107	33.1 Å²	33.1	40%	0.404	16%	0.156	S	C	.	.			trans	-82.1	153.8	176.9	-66	-176.6	176.9	-99.2	-11.1	110.9	V223 N227 D270 H271	R221-V223 HydrophobicContact CB-CG1 4.05Å; R221-V223 PolarHBondContact O-N 3.29Å; R221-N227 WeakPolarHBondContact O-CB 3.25Å; R221-D270 IonicContact CZ-OD1 3.1Å; R221-D270 IonicContact NE-OD1 2.76Å; R221-D270 PolarHBondContact NE-OD1 3.05Å; R221-D270 IonicContact NH2-OD1 2.72Å; R221-D270 PolarHBondContact NH2-OD1 2.93Å; R221-D270 IonicContact NH2-OD2 3.89Å; R221-H271 WeakPolarHBondContact CD-O 3.48Å
222	D	95.8	Very high	97.3	Very high	168 Å²	168	31.6 Å²	31.6	90%	0.898	15%	0.15	S	C	*	.			trans	-78.5	67.8	169.6	-170.8	21.2	0	0	0	110.6
223	V	97.5	Very high	97.4	Very high	17 Å²	17	31.7 Å²	31.7	10%	0.103	15%	0.15	C	C	.	.			trans	-99.5	155.2	170.7	-65.2	0	0	0	0	109.7	R221 Y225 H226 N227	R221-V223 HydrophobicContact CB-CG1 4.05Å; R221-V223 PolarHBondContact O-N 3.29Å; V223-Y225 PolarHBondContact O-N 3.07Å; V223-H226 VanDerWaalsContact CG2-C 3.45Å; V223-H226 HydrophobicContact CG2-CB 4.2Å; V223-H226 WeakPolarHBondContact CG2-O 3.46Å; V223-N227 HydrophobicContact CG2-CB 4.46Å; V223-N227 PolarHBondContact O-ND2 3.36Å
224	P	97.4	Very high	97.4	Very high	36 Å²	36	31.7 Å²	31.7	23%	0.234	15%	0.151	C	C	.	.	S	Bend	trans	-54.4	-44.4	-172.6	-28.6	36	0	0	0	115.1	N227 Q413 K416 E417	P224-N227 PolarHBondContact O-ND2 3.11Å; P224-Q413 HydrophobicContact CB-CB 4.44Å; P224-Q413 WeakPolarHBondContact CB-O 3.44Å; P224-Q413 WeakPolarHBondContact O-CB 3.39Å; P224-K416 HydrophobicContact CB-CB 4.19Å; P224-K416 HydrophobicContact CB-CD 4.06Å; P224-K416 HydrophobicContact CB-CG 4.16Å; P224-K416 HydrophobicContact CG-CB 4.42Å; P224-K416 HydrophobicContact CG-CD 4.09Å; P224-K416 HydrophobicContact CG-CG 3.98Å; P224-E417 HydrophobicContact CB-CB 4.18Å; P224-E417 HydrophobicContact CG-CB 4.15Å
225	Y	98.2	Very high	97.5	Very high	16 Å²	16	31.4 Å²	31.4	6%	0.063	15%	0.149	C	C	.	.	S	Bend	trans	-113.6	-58.8	-175	-177.8	-103.1	0	0	0	113.3	V223 N227 H230 D399 A410 Q413 V414 E417	V223-Y225 PolarHBondContact O-N 3.07Å; Y225-N227 PolarHBondContact O-N 3.01Å; Y225-H230 AromaticContact CE1-CE1 3.81Å; Y225-H230 AromaticContact CE1-ND1 3.7Å; Y225-H230 AromaticContact CZ-CE1 3.94Å; Y225-H230 AromaticContact CZ-ND1 3.6Å; Y225-H230 VanDerWaalsContact O-CB 3.24Å; Y225-H230 WeakPolarHBondContact O-CB 3.15Å; Y225-H230 PolarHBondContact OH-ND1 2.95Å; Y225-D399 PolarHBondContact OH-OD2 3.15Å; Y225-A410 HydrophobicContact CE2-CB 4.13Å; Y225-Q413 HydrophobicContact CD2-CB 4.16Å; Y225-V414 HydrophobicContact CD1-CG2 3.71Å; Y225-V414 HydrophobicContact CD2-CG2 3.52Å; Y225-V414 HydrophobicContact CE1-CG2 3.91Å; Y225-V414 HydrophobicContact CE2-CG2 3.71Å; Y225-V414 HydrophobicContact CG-CG2 3.51Å; Y225-E417 PolarHBondContact N-OE2 3.1Å
226	H	98.2	Very high	97.6	Very high	34 Å²	34	31.3 Å²	31.3	16%	0.157	15%	0.148	C	C	.	.	S	Bend	trans	-79	55.9	-172.8	-57.9	99.4	0	0	0	112.9	V223 D268 H271 E417	V223-H226 VanDerWaalsContact CG2-C 3.45Å; V223-H226 HydrophobicContact CG2-CB 4.2Å; V223-H226 WeakPolarHBondContact CG2-O 3.46Å; H226-D268 IonicContact CD2-OD2 3.47Å; H226-D268 PolarHBondContact CD2-OD2 3.34Å; H226-D268 IonicContact CG-OD2 3.47Å; H226-H271 HydrophobicContact CB-CB 3.96Å; H226-H271 WeakPolarHBondContact CB-ND1 3.47Å; H226-H271 AromaticContact CG-CE1 3.72Å; H226-H271 AromaticContact CG-ND1 3.72Å; H226-H271 AromaticContact ND1-CE1 3.41Å; H226-H271 PolarHBondContact ND1-CE1 3.03Å; H226-H271 AromaticContact ND1-ND1 3.75Å; H226-E417 IonicContact CE1-OE1 2.7Å; H226-E417 PolarHBondContact CE1-OE1 3.2Å; H226-E417 IonicContact CG-OE1 3.22Å; H226-E417 PolarHBondContact N-OE2 3.49Å; H226-E417 IonicContact ND1-OE1 3.38Å; H226-E417 PolarHBondContact ND1-OE1 2.93Å; H226-E417 IonicContact ND1-OE2 2.77Å
227	N	97.9	Very high	97.7	Very high	22 Å²	22	31.3 Å²	31.3	12%	0.118	15%	0.148	C	C	.	.	S	Bend	trans	-108.5	-174.6	178.6	58.3	47.6	0	0	0	111.4	R221 V223 P224 Y225 Y229 H230 A231	R221-N227 WeakPolarHBondContact O-CB 3.25Å; V223-N227 HydrophobicContact CG2-CB 4.46Å; V223-N227 PolarHBondContact O-ND2 3.36Å; P224-N227 PolarHBondContact O-ND2 3.11Å; Y225-N227 PolarHBondContact O-N 3.01Å; N227-Y229 PolarHBondContact O-N 3.44Å; N227-Y229 VanDerWaalsContact O-N 3.17Å; N227-Y229 WeakPolarHBondContact OD1-CB 3.38Å; N227-Y229 PolarHBondContact OD1-N 2.96Å; N227-H230 WeakPolarHBondContact O-CB 3.26Å; N227-H230 PolarHBondContact O-N 2.93Å; N227-H230 PolarHBondContact OD1-N 3.19Å; N227-A231 PolarHBondContact O-N 3.04Å
228	W	98.3	Very high	97.7	Very high	9 Å²	9	28.8 Å²	28.8	3%	0.034	14%	0.137	C	C	.	.	H	α-helix	trans	-53.3	-38.3	179.9	172	-111	0	0	0	113.6	T185 H186 L213 L216 E217 Y220 H230 A231 F232 L265	T185-W228 PolarHBondContact OG1-NE1 3.48Å; H186-W228 AromaticContact CD2-CZ2 3.9Å; L213-W228 HydrophobicContact CD2-CH2 4.47Å; L216-W228 HydrophobicContact CB-CH2 4.42Å; L216-W228 HydrophobicContact CB-CZ3 3.77Å; E217-W228 HydrophobicContact CB-CD2 3.71Å; E217-W228 HydrophobicContact CB-CE3 3.88Å; E217-W228 HydrophobicContact CB-CG 4.14Å; E217-W228 HydrophobicContact CB-CH2 4.34Å; E217-W228 HydrophobicContact CB-CZ2 4.22Å; E217-W228 HydrophobicContact CB-CZ3 4.19Å; E217-W228 HydrophobicContact CG-CB 4.24Å; E217-W228 HydrophobicContact CG-CD2 3.8Å; E217-W228 HydrophobicContact CG-CE3 4.43Å; E217-W228 HydrophobicContact CG-CG 3.69Å; Y220-W228 HydrophobicContact CD2-CB 4.5Å; Y220-W228 AromaticContact CD2-CE3 3.71Å; Y220-W228 HydrophobicContact CD2-CE3 3.71Å; Y220-W228 HydrophobicContact CD2-CZ3 4.43Å; Y220-W228 AromaticContact CE2-CE3 3.96Å; Y220-W228 HydrophobicContact CE2-CE3 3.96Å; Y220-W228 HydrophobicContact CE2-CZ3 4.35Å; Y220-W228 HydrophobicContact CG-CB 4.31Å; W228-H230 VanDerWaalsContact C-N 3.28Å; W228-H230 PolarHBondContact O-N 3.42Å; W228-A231 PolarHBondContact O-N 3.11Å; W228-F232 WeakPolarHBondContact O-CB 3.36Å; W228-F232 PolarHBondContact O-N 3.26Å; W228-L265 HydrophobicContact CH2-CD2 4.22Å
229	Y	98.3	Very high	97.9	Very high	71 Å²	71	24.4 Å²	24.4	28%	0.278	12%	0.118	S	C	.	.	H	α-helix	trans	-67	-30	180	-75.6	-78	0	0	0	112.8	L180 L182 T185 N227 T233	L180-Y229 WeakPolarHBondContact O-CE1 3.22Å; L180-Y229 PolarHBondContact O-OH 3.38Å; L182-Y229 PolarHBondContact N-OH 3.09Å; T185-Y229 HydrophobicContact CG2-CD1 4.33Å; T185-Y229 HydrophobicContact CG2-CE1 3.92Å; N227-Y229 PolarHBondContact O-N 3.44Å; N227-Y229 VanDerWaalsContact O-N 3.17Å; N227-Y229 WeakPolarHBondContact OD1-CB 3.38Å; N227-Y229 PolarHBondContact OD1-N 2.96Å; Y229-T233 WeakPolarHBondContact O-CB 3.2Å; Y229-T233 PolarHBondContact O-N 3.4Å; Y229-T233 PolarHBondContact O-OG1 2.99Å
230	H	98.4	Very high	97.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-56.3	170.5	173.7	61.2	0	0	0	110.5	Y225 N227 W228 F232 T233 V234 H267 D268 D396	Y225-H230 AromaticContact CE1-CE1 3.81Å; Y225-H230 AromaticContact CE1-ND1 3.7Å; Y225-H230 AromaticContact CZ-CE1 3.94Å; Y225-H230 AromaticContact CZ-ND1 3.6Å; Y225-H230 VanDerWaalsContact O-CB 3.24Å; Y225-H230 WeakPolarHBondContact O-CB 3.15Å; Y225-H230 PolarHBondContact OH-ND1 2.95Å; N227-H230 WeakPolarHBondContact O-CB 3.26Å; N227-H230 PolarHBondContact O-N 2.93Å; N227-H230 PolarHBondContact OD1-N 3.19Å; W228-H230 VanDerWaalsContact C-N 3.28Å; W228-H230 PolarHBondContact O-N 3.42Å; H230-F232 VanDerWaalsContact C-N 3.25Å; H230-F232 PolarHBondContact O-N 3.04Å; H230-T233 WeakPolarHBondContact O-CA 3.49Å; H230-T233 WeakPolarHBondContact O-CB 3.3Å; H230-T233 PolarHBondContact O-N 2.76Å; H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.47Å; H230-V234 WeakPolarHBondContact O-CG2 3.39Å; H230-V234 PolarHBondContact O-N 3.02Å; H230-H267 AromaticContact CD2-CE1 3.84Å; H230-H267 AromaticContact CD2-NE2 3.73Å; H230-H267 AromaticContact NE2-CE1 3.63Å; H230-H267 AromaticContact NE2-NE2 3.23Å; H230-H267 PolarHBondContact NE2-NE2 2.83Å; H230-D268 IonicContact CD2-OD2 3.5Å; H230-D268 PolarHBondContact CD2-OD2 2.82Å; H230-D268 IonicContact NE2-OD2 2.71Å; H230-D268 PolarHBondContact NE2-OD2 3.28Å; H230-D396 IonicContact CE1-OD1 3.66Å; H230-D396 PolarHBondContact CE1-OD1 2.76Å; H230-D396 IonicContact NE2-OD1 2.75Å; H230-D396 PolarHBondContact NE2-OD1 3.31Å
231	A	98.6	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.3	-41.2	178.4	0	0	0	0	0	113.2	Y220 N227 W228 V234 A235	Y220-A231 HydrophobicContact CE1-CB 3.68Å; Y220-A231 HydrophobicContact CE2-CB 3.85Å; Y220-A231 WeakPolarHBondContact OH-CB 3.1Å; N227-A231 PolarHBondContact O-N 3.04Å; W228-A231 PolarHBondContact O-N 3.11Å; A231-V234 PolarHBondContact O-N 2.86Å; A231-A235 WeakPolarHBondContact O-CB 3.44Å; A231-A235 PolarHBondContact O-N 3.38Å
232	F	98.6	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-39.8	174	177.3	-120.6	0	0	0	112.7	F170 P177 L180 T185 A188 M192 W228 H230 A235 H236	F170-F232 HydrophobicContact CE2-CZ 4.41Å; P177-F232 HydrophobicContact CB-CD1 3.89Å; P177-F232 HydrophobicContact CB-CE1 3.46Å; P177-F232 VanDerWaalsContact CB-CE1 3.46Å; P177-F232 HydrophobicContact CB-CZ 4.17Å; L180-F232 HydrophobicContact CD1-CE1 3.97Å; L180-F232 HydrophobicContact CD1-CZ 3.92Å; T185-F232 HydrophobicContact CG2-CD1 3.65Å; T185-F232 HydrophobicContact CG2-CE1 3.69Å; T185-F232 HydrophobicContact CG2-CG 4.23Å; T185-F232 HydrophobicContact CG2-CZ 4.33Å; A188-F232 HydrophobicContact CB-CE2 3.73Å; A188-F232 HydrophobicContact CB-CZ 3.54Å; M192-F232 HydrophobicContact CE-CD2 4.41Å; M192-F232 HydrophobicContact CE-CE2 3.95Å; W228-F232 WeakPolarHBondContact O-CB 3.36Å; W228-F232 PolarHBondContact O-N 3.26Å; H230-F232 VanDerWaalsContact C-N 3.25Å; H230-F232 PolarHBondContact O-N 3.04Å; F232-A235 PolarHBondContact O-N 2.67Å; F232-H236 VanDerWaalsContact O-CB 3.28Å; F232-H236 WeakPolarHBondContact O-CB 3.32Å; F232-H236 PolarHBondContact O-N 3.47Å
233	T	98.5	Very high	97.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-63.8	-43.2	176.2	-59.9	0	0	0	0	111.6	P177 R178 Y229 H230 H236 F237 A398	P177-T233 HydrophobicContact CG-CG2 3.87Å; R178-T233 WeakPolarHBondContact CG-OG1 3.46Å; Y229-T233 WeakPolarHBondContact O-CB 3.2Å; Y229-T233 PolarHBondContact O-N 3.4Å; Y229-T233 PolarHBondContact O-OG1 2.99Å; H230-T233 WeakPolarHBondContact O-CA 3.49Å; H230-T233 WeakPolarHBondContact O-CB 3.3Å; H230-T233 PolarHBondContact O-N 2.76Å; T233-H236 PolarHBondContact O-N 3.01Å; T233-F237 PolarHBondContact O-N 3.26Å; T233-A398 HydrophobicContact CG2-CB 4.37Å
234	V	98.6	Very high	97.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-47.1	176.2	177.4	0	0	0	0	110.8	H230 A231 H236 F237 C238 C264 M392 C395	H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.47Å; H230-V234 WeakPolarHBondContact O-CG2 3.39Å; H230-V234 PolarHBondContact O-N 3.02Å; A231-V234 PolarHBondContact O-N 2.86Å; V234-H236 PolarHBondContact O-N 3.29Å; V234-F237 PolarHBondContact O-N 2.88Å; V234-C238 PolarHBondContact O-N 3.11Å; V234-C264 HydrophobicContact CG1-CB 3.94Å; V234-M392 HydrophobicContact CG1-CE 3.47Å; V234-M392 VanDerWaalsContact CG1-CE 3.47Å; V234-C395 HydrophobicContact CG1-CB 3.69Å
235	A	98.8	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.6	-38.7	176.8	0	0	0	0	0	113.1	A231 F232 C238 Y239 L261 C264 L265	A231-A235 WeakPolarHBondContact O-CB 3.44Å; A231-A235 PolarHBondContact O-N 3.38Å; F232-A235 PolarHBondContact O-N 2.67Å; A235-C238 WeakPolarHBondContact O-CB 3.43Å; A235-C238 PolarHBondContact O-N 3.28Å; A235-Y239 WeakPolarHBondContact O-CB 3.38Å; A235-Y239 PolarHBondContact O-N 2.87Å; A235-L261 HydrophobicContact CB-CD1 4.24Å; A235-L261 WeakPolarHBondContact O-CD1 3.37Å; A235-C264 HydrophobicContact CB-CB 3.95Å; A235-L265 HydrophobicContact CB-CD2 3.43Å; A235-L265 VanDerWaalsContact CB-CD2 3.43Å; A235-L265 HydrophobicContact CB-CG 3.63Å
236	H	98.5	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.5	-43.4	173.8	175.8	-108.7	0	0	0	111.4	F170 Y175 P177 M192 F232 T233 V234 C238 Y239 L240	F170-H236 AromaticContact CD1-NE2 3.77Å; F170-H236 AromaticContact CE1-CD2 3.54Å; F170-H236 AromaticContact CE1-NE2 3.69Å; F170-H236 AromaticContact CE2-CD2 3.9Å; F170-H236 AromaticContact CG-NE2 3.99Å; F170-H236 AromaticContact CZ-CD2 3.4Å; F170-H236 VanDerWaalsContact CZ-CD2 3.4Å; F170-H236 WeakPolarHBondContact CZ-CD2 3.15Å; F170-H236 AromaticContact CZ-NE2 3.81Å; F170-H236 PolarHBondContact O-CE1 2.92Å; F170-H236 PolarHBondContact O-NE2 3.46Å; Y175-H236 AromaticContact CD1-CE1 3.82Å; P177-H236 HydrophobicContact CB-CB 4.23Å; P177-H236 HydrophobicContact CG-CB 4.07Å; M192-H236 HydrophobicContact SD-CB 4.4Å; F232-H236 VanDerWaalsContact O-CB 3.28Å; F232-H236 WeakPolarHBondContact O-CB 3.32Å; F232-H236 PolarHBondContact O-N 3.47Å; T233-H236 PolarHBondContact O-N 3.01Å; V234-H236 PolarHBondContact O-N 3.29Å; H236-C238 PolarHBondContact O-N 3.39Å; H236-Y239 WeakPolarHBondContact O-CB 3.47Å; H236-Y239 PolarHBondContact O-N 3.34Å; H236-L240 WeakPolarHBondContact O-CG 3.39Å; H236-L240 PolarHBondContact O-N 3.38Å
237	F	97.8	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.3	-161.4	-94.4	0	0	0	112	F173 T233 V234 Y239 L240 I241 C395 A398 V401 F466 V469	F173-F237 AromaticContact CD1-CD2 3.92Å; F173-F237 HydrophobicContact CD1-CD2 3.92Å; F173-F237 AromaticContact CD1-CE2 3.48Å; F173-F237 HydrophobicContact CD1-CE2 3.48Å; F173-F237 VanDerWaalsContact CD1-CE2 3.48Å; F173-F237 AromaticContact CD1-CZ 3.88Å; F173-F237 HydrophobicContact CD1-CZ 3.88Å; F173-F237 HydrophobicContact CE1-CD2 4.46Å; F173-F237 HydrophobicContact CE1-CE1 4.48Å; F173-F237 HydrophobicContact CE1-CE2 4.13Å; F173-F237 HydrophobicContact CE1-CZ 4.16Å; F173-F237 HydrophobicContact CG-CE2 4.45Å; T233-F237 PolarHBondContact O-N 3.26Å; V234-F237 PolarHBondContact O-N 2.88Å; F237-Y239 PolarHBondContact O-N 3.39Å; F237-L240 PolarHBondContact O-N 2.89Å; F237-I241 HydrophobicContact CD1-CD1 3.69Å; F237-I241 HydrophobicContact CD1-CG1 4.23Å; F237-I241 HydrophobicContact CE1-CD1 3.74Å; F237-I241 HydrophobicContact CE1-CG1 4.21Å; F237-I241 WeakPolarHBondContact O-CG1 3.42Å; F237-I241 PolarHBondContact O-N 3.48Å; F237-C395 HydrophobicContact CB-CB 4.48Å; F237-C395 HydrophobicContact CD1-CB 4.2Å; F237-A398 HydrophobicContact CB-CB 3.65Å; F237-A398 HydrophobicContact CD1-CB 4.21Å; F237-A398 HydrophobicContact CD2-CB 3.51Å; F237-A398 HydrophobicContact CE2-CB 4.17Å; F237-A398 HydrophobicContact CG-CB 3.53Å; F237-V401 HydrophobicContact CD2-CG2 4.4Å; F237-V401 HydrophobicContact CE2-CG2 3.5Å; F237-V401 VanDerWaalsContact CE2-CG2 3.5Å; F237-V401 HydrophobicContact CZ-CG2 4.05Å; F237-F466 HydrophobicContact CE1-CE1 4.34Å; F237-V469 HydrophobicContact CE2-CG1 4.49Å; F237-V469 HydrophobicContact CZ-CG1 3.89Å
238	C	98.1	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.7	-48.4	172.2	178.2	0	0	0	0	111.7	V234 A235 H236 L240 I241 L242 L261 C264 C395	V234-C238 PolarHBondContact O-N 3.11Å; A235-C238 WeakPolarHBondContact O-CB 3.43Å; A235-C238 PolarHBondContact O-N 3.28Å; H236-C238 PolarHBondContact O-N 3.39Å; C238-L240 VanDerWaalsContact C-N 3.3Å; C238-L240 PolarHBondContact O-N 3.05Å; C238-I241 WeakPolarHBondContact O-CB 3.45Å; C238-I241 PolarHBondContact O-N 3.19Å; C238-L242 WeakPolarHBondContact O-CG 3.27Å; C238-L242 PolarHBondContact O-N 3.07Å; C238-L261 HydrophobicContact CB-CD1 4.42Å; C238-C264 HydrophobicContact CB-CB 4.37Å; C238-C264 VanDerWaalsContact CB-SG 3.54Å; C238-C395 VanDerWaalsContact CA-SG 3.53Å
239	Y	98.3	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.5	-44.8	175.6	160.6	-99.6	0	0	0	111.9	P163 F170 M171 M192 D195 L196 A235 H236 F237 L242 R243	P163-Y239 WeakPolarHBondContact CG-OH 3.49Å; F170-Y239 HydrophobicContact CD1-CE1 4.38Å; F170-Y239 HydrophobicContact CE1-CD1 4.35Å; F170-Y239 HydrophobicContact CE1-CE1 4.06Å; M171-Y239 HydrophobicContact CE-CE1 3.46Å; M171-Y239 VanDerWaalsContact CE-CE1 3.46Å; M171-Y239 WeakPolarHBondContact CE-OH 3.37Å; M171-Y239 HydrophobicContact SD-CE1 4.31Å; M171-Y239 PolarHBondContact SD-OH 3.14Å; M192-Y239 HydrophobicContact CB-CD2 3.6Å; M192-Y239 HydrophobicContact CB-CE2 4.1Å; M192-Y239 HydrophobicContact CB-CG 3.92Å; M192-Y239 HydrophobicContact CG-CD1 3.77Å; M192-Y239 HydrophobicContact CG-CD2 3.62Å; M192-Y239 HydrophobicContact CG-CE1 4.17Å; M192-Y239 HydrophobicContact CG-CE2 4.06Å; M192-Y239 HydrophobicContact CG-CG 3.47Å; M192-Y239 VanDerWaalsContact CG-CG 3.47Å; M192-Y239 WeakPolarHBondContact SD-CB 3.35Å; M192-Y239 HydrophobicContact SD-CD1 3.75Å; M192-Y239 HydrophobicContact SD-CD2 4.21Å; M192-Y239 HydrophobicContact SD-CG 3.49Å; D195-Y239 HydrophobicContact CB-CE2 4.26Å; D195-Y239 WeakPolarHBondContact OD2-CE2 3.36Å; D195-Y239 PolarHBondContact OD2-OH 3.08Å; L196-Y239 HydrophobicContact CD1-CD2 3.76Å; L196-Y239 HydrophobicContact CD1-CE2 4.46Å; L196-Y239 HydrophobicContact CD2-CD2 4.07Å; L196-Y239 HydrophobicContact CD2-CE2 4.14Å; L196-Y239 HydrophobicContact CG-CD2 3.71Å; L196-Y239 HydrophobicContact CG-CE2 3.91Å; A235-Y239 WeakPolarHBondContact O-CB 3.38Å; A235-Y239 PolarHBondContact O-N 2.87Å; H236-Y239 WeakPolarHBondContact O-CB 3.47Å; H236-Y239 PolarHBondContact O-N 3.34Å; F237-Y239 PolarHBondContact O-N 3.39Å; Y239-L242 PolarHBondContact O-N 2.77Å; Y239-R243 HydrophobicContact CD2-CB 4.49Å; Y239-R243 HydrophobicContact CE2-CB 4.06Å; Y239-R243 HydrophobicContact CE2-CG 4.27Å; Y239-R243 WeakPolarHBondContact O-CB 3.45Å; Y239-R243 PolarHBondContact O-N 2.9Å
240	L	96.7	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-41.6	177.7	-68.3	-179.1	0	0	0	112.7	M171 S172 F173 H236 F237 C238 R243 N244	M171-L240 WeakPolarHBondContact O-CD2 3.29Å; S172-L240 WeakPolarHBondContact O-CD1 3.42Å; F173-L240 HydrophobicContact CB-CD1 4.44Å; F173-L240 HydrophobicContact CD1-CB 3.83Å; F173-L240 HydrophobicContact CD1-CD1 3.78Å; F173-L240 HydrophobicContact CE1-CB 3.4Å; F173-L240 VanDerWaalsContact CE1-CB 3.4Å; F173-L240 HydrophobicContact CE1-CD1 4.25Å; F173-L240 HydrophobicContact CE2-CB 4.46Å; F173-L240 HydrophobicContact CG-CD1 4.12Å; F173-L240 HydrophobicContact CZ-CB 3.77Å; H236-L240 WeakPolarHBondContact O-CG 3.39Å; H236-L240 PolarHBondContact O-N 3.38Å; F237-L240 PolarHBondContact O-N 2.89Å; C238-L240 VanDerWaalsContact C-N 3.3Å; C238-L240 PolarHBondContact O-N 3.05Å; L240-R243 PolarHBondContact O-N 3.48Å; L240-N244 WeakPolarHBondContact O-CA 3.31Å; L240-N244 WeakPolarHBondContact O-CB 3.48Å; L240-N244 PolarHBondContact O-N 2.66Å
241	I	95.8	Very high	95.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-53	173.2	-67.1	166.7	0	0	0	109.4	F173 F237 C238 R243 I245 V248 L391 F466	F173-I241 HydrophobicContact CE1-CG1 3.95Å; F173-I241 HydrophobicContact CZ-CG1 4.26Å; F237-I241 HydrophobicContact CD1-CD1 3.69Å; F237-I241 HydrophobicContact CD1-CG1 4.23Å; F237-I241 HydrophobicContact CE1-CD1 3.74Å; F237-I241 HydrophobicContact CE1-CG1 4.21Å; F237-I241 WeakPolarHBondContact O-CG1 3.42Å; F237-I241 PolarHBondContact O-N 3.48Å; C238-I241 WeakPolarHBondContact O-CB 3.45Å; C238-I241 PolarHBondContact O-N 3.19Å; I241-R243 VanDerWaalsContact C-N 3.26Å; I241-R243 PolarHBondContact O-N 3.19Å; I241-I245 HydrophobicContact CG2-CD1 4.37Å; I241-I245 WeakPolarHBondContact O-CB 3.31Å; I241-I245 PolarHBondContact O-N 3.41Å; I241-V248 HydrophobicContact CG2-CB 4.14Å; I241-V248 HydrophobicContact CG2-CG1 3.77Å; I241-V248 HydrophobicContact CG2-CG2 3.95Å; I241-L391 HydrophobicContact CD1-CD2 4.24Å; I241-L391 HydrophobicContact CG2-CD2 4.03Å; I241-F466 HydrophobicContact CD1-CE1 4.35Å; I241-F466 HydrophobicContact CD1-CZ 3.67Å; I241-F466 HydrophobicContact CG1-CE2 4.32Å; I241-F466 HydrophobicContact CG1-CZ 3.74Å; I241-F466 HydrophobicContact CG2-CZ 4.48Å
242	L	96.8	Very high	95.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-34.9	-178.7	-66.9	-178	0	0	0	111.8	L196 C238 Y239 R249 L252 R257	L196-L242 HydrophobicContact CD1-CB 4.36Å; L196-L242 HydrophobicContact CD1-CD1 4.05Å; L196-L242 HydrophobicContact CD2-CB 3.94Å; C238-L242 WeakPolarHBondContact O-CG 3.27Å; C238-L242 PolarHBondContact O-N 3.07Å; Y239-L242 PolarHBondContact O-N 2.77Å; L242-R249 PolarHBondContact O-NE 3.06Å; L242-R249 PolarHBondContact O-NH2 3.21Å; L242-L252 HydrophobicContact CD2-CD1 4.06Å; L242-R257 HydrophobicContact CD1-CB 4.17Å; L242-R257 HydrophobicContact CD1-CG 4.49Å; L242-R257 HydrophobicContact CD2-CB 4.37Å; L242-R257 HydrophobicContact CD2-CG 3.8Å
243	R	95.4	Very high	95.3	Very high	97 Å²	97	28.1 Å²	28.1	37%	0.366	14%	0.137	S	C	.	.	H	α-helix	trans	-88.2	-35.7	-174.6	-175.3	59.2	176.6	86.2	-2	114.6	D195 L196 Y239 L240 I241 R249	D195-R243 IonicContact OD1-NE 3.82Å; D195-R243 WeakPolarHBondContact OD2-CD 3.38Å; D195-R243 IonicContact OD2-NE 2.62Å; D195-R243 PolarHBondContact OD2-NE 2.94Å; L196-R243 HydrophobicContact CD2-CB 4.21Å; Y239-R243 HydrophobicContact CD2-CB 4.49Å; Y239-R243 HydrophobicContact CE2-CB 4.06Å; Y239-R243 HydrophobicContact CE2-CG 4.27Å; Y239-R243 WeakPolarHBondContact O-CB 3.45Å; Y239-R243 PolarHBondContact O-N 2.9Å; L240-R243 PolarHBondContact O-N 3.48Å; I241-R243 VanDerWaalsContact C-N 3.26Å; I241-R243 PolarHBondContact O-N 3.19Å; R243-R249 PolarHBondContact O-NH2 3.29Å
244	N	93.3	Very high	95.1	Very high	62 Å²	62	30.5 Å²	30.5	33%	0.332	15%	0.149	S	C	.	.	H	α-helix	trans	-104	-13.4	-171.6	-63.3	-13.2	0	0	0	113.5	M171 F173 L240 P246	M171-N244 PolarHBondContact O-ND2 3.36Å; F173-N244 HydrophobicContact CE2-CB 4.24Å; L240-N244 WeakPolarHBondContact O-CA 3.31Å; L240-N244 WeakPolarHBondContact O-CB 3.48Å; L240-N244 PolarHBondContact O-N 2.66Å; N244-P246 VanDerWaalsContact O-CD 3.3Å; N244-P246 WeakPolarHBondContact O-CD 3.24Å
245	I	93.3	Very high	94.8	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.155	C	C	.	.			trans	-116.5	89.7	-179	-49.7	179	0	0	0	109.8	F173 I241 T247 V248 R249 E465 F466	F173-I245 HydrophobicContact CZ-CD1 4.09Å; F173-I245 HydrophobicContact CZ-CG1 4.41Å; I241-I245 HydrophobicContact CG2-CD1 4.37Å; I241-I245 WeakPolarHBondContact O-CB 3.31Å; I241-I245 PolarHBondContact O-N 3.41Å; I245-T247 PolarHBondContact O-N 3.39Å; I245-V248 HydrophobicContact CB-CB 4.36Å; I245-V248 HydrophobicContact CB-CG2 3.94Å; I245-V248 HydrophobicContact CG2-CB 4.19Å; I245-V248 HydrophobicContact CG2-CG2 3.49Å; I245-V248 VanDerWaalsContact CG2-CG2 3.49Å; I245-V248 PolarHBondContact O-N 3.44Å; I245-R249 PolarHBondContact O-N 3.16Å; I245-E465 HydrophobicContact CD1-CB 4.38Å; I245-E465 HydrophobicContact CG1-CB 4.43Å; I245-E465 HydrophobicContact CG2-CB 4.02Å; I245-E465 HydrophobicContact CG2-CG 4.2Å; I245-F466 HydrophobicContact CD1-CD2 3.62Å; I245-F466 HydrophobicContact CD1-CE2 3.32Å; I245-F466 HydrophobicContact CD1-CZ 4.3Å
246	P	92.4	Very high	94.7	Very high	59 Å²	59	32 Å²	32	38%	0.383	16%	0.157	S	C	.	.	H	α-helix	trans	-59.1	-30.5	-178.2	-25.2	34.6	0	0	0	113.9	N244 R249 K250	N244-P246 VanDerWaalsContact O-CD 3.3Å; N244-P246 WeakPolarHBondContact O-CD 3.24Å; P246-R249 PolarHBondContact O-N 2.85Å; P246-K250 WeakPolarHBondContact O-CB 3.38Å; P246-K250 VanDerWaalsContact O-CG 3.28Å; P246-K250 WeakPolarHBondContact O-CG 3.28Å; P246-K250 PolarHBondContact O-N 2.95Å
247	T	91.2	Very high	94.6	Very high	58 Å²	58	33.9 Å²	33.9	36%	0.356	16%	0.164	S	C	.	.	H	α-helix	trans	-60.3	-51.9	178.1	-48.9	0	0	0	0	110.9	I245 R249 K250 Q251 F463 E465	I245-T247 PolarHBondContact O-N 3.39Å; T247-R249 PolarHBondContact O-N 3.09Å; T247-K250 PolarHBondContact O-N 2.97Å; T247-Q251 WeakPolarHBondContact O-CG 3.45Å; T247-Q251 PolarHBondContact O-N 3.1Å; T247-F463 HydrophobicContact CG2-CD1 4.43Å; T247-F463 HydrophobicContact CG2-CE1 4.37Å; T247-E465 WeakPolarHBondContact CB-OE1 3.35Å; T247-E465 PolarHBondContact OG1-OE1 2.8Å
248	V	92.3	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-48.4	174.5	179.1	0	0	0	0	110.6	I241 I245 K250 Q251 L252 L391 F463	I241-V248 HydrophobicContact CG2-CB 4.14Å; I241-V248 HydrophobicContact CG2-CG1 3.77Å; I241-V248 HydrophobicContact CG2-CG2 3.95Å; I245-V248 HydrophobicContact CB-CB 4.36Å; I245-V248 HydrophobicContact CB-CG2 3.94Å; I245-V248 HydrophobicContact CG2-CB 4.19Å; I245-V248 HydrophobicContact CG2-CG2 3.49Å; I245-V248 VanDerWaalsContact CG2-CG2 3.49Å; I245-V248 PolarHBondContact O-N 3.44Å; V248-K250 PolarHBondContact O-N 2.61Å; V248-Q251 PolarHBondContact O-N 2.9Å; V248-L252 HydrophobicContact CG1-CD1 4.02Å; V248-L252 PolarHBondContact O-N 3.14Å; V248-L391 HydrophobicContact CG1-CD1 3.81Å; V248-L391 HydrophobicContact CG1-CD2 4.48Å; V248-F463 HydrophobicContact CB-CE2 4.35Å; V248-F463 HydrophobicContact CB-CZ 4.32Å; V248-F463 HydrophobicContact CG2-CD1 4.28Å; V248-F463 HydrophobicContact CG2-CD2 3.51Å; V248-F463 HydrophobicContact CG2-CE1 3.99Å; V248-F463 HydrophobicContact CG2-CE2 3.17Å; V248-F463 HydrophobicContact CG2-CG 4.08Å; V248-F463 HydrophobicContact CG2-CZ 3.44Å; V248-F463 VanDerWaalsContact CG2-CZ 3.44Å
249	R	92	Very high	94.6	Very high	70 Å²	70	33.9 Å²	33.9	26%	0.264	16%	0.164	S	C	.	.	H	α-helix	trans	-59.3	-35	-177.6	-168.7	-167.9	-51.5	123.6	25.6	112.7	L242 R243 I245 P246 T247	L242-R249 PolarHBondContact O-NE 3.06Å; L242-R249 PolarHBondContact O-NH2 3.21Å; R243-R249 PolarHBondContact O-NH2 3.29Å; I245-R249 PolarHBondContact O-N 3.16Å; P246-R249 PolarHBondContact O-N 2.85Å; T247-R249 PolarHBondContact O-N 3.09Å
250	K	92.1	Very high	94.6	Very high	160 Å²	160	34 Å²	34	70%	0.696	17%	0.165	S	C	*	.	H	α-helix	trans	-76.2	-27.4	178.3	-74.1	174.1	-178.5	-179.3	0	113	P246 T247 V248	P246-K250 WeakPolarHBondContact O-CB 3.38Å; P246-K250 VanDerWaalsContact O-CG 3.28Å; P246-K250 WeakPolarHBondContact O-CG 3.28Å; P246-K250 PolarHBondContact O-N 2.95Å; T247-K250 PolarHBondContact O-N 2.97Å; V248-K250 PolarHBondContact O-N 2.61Å
251	Q	93	Very high	94.7	Very high	42 Å²	42	34 Å²	34	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-75	-35.7	178.4	-74.5	176.4	-22.1	0	0	112	T247 V248 F376 R378 L387 F463	T247-Q251 WeakPolarHBondContact O-CG 3.45Å; T247-Q251 PolarHBondContact O-N 3.1Å; V248-Q251 PolarHBondContact O-N 2.9Å; Q251-F376 HydrophobicContact CB-CD1 3.93Å; Q251-F376 HydrophobicContact CB-CE1 3.54Å; Q251-F376 HydrophobicContact CB-CZ 4.09Å; Q251-F376 HydrophobicContact CG-CD1 3.64Å; Q251-F376 HydrophobicContact CG-CE1 3.79Å; Q251-F376 HydrophobicContact CG-CG 4.44Å; Q251-R378 WeakPolarHBondContact O-CG 3.29Å; Q251-L387 HydrophobicContact CB-CD2 4.07Å; Q251-F463 VanDerWaalsContact OE1-CE1 3.3Å; Q251-F463 VanDerWaalsContact OE1-CZ 3.27Å
252	L	94.8	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-87.6	138.6	180	-62.9	178.7	0	0	0	111.8	L242 V248 D256 R257 L260 L387 Q388 L391	L242-L252 HydrophobicContact CD2-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CD1 4.02Å; V248-L252 PolarHBondContact O-N 3.14Å; L252-D256 HydrophobicContact CB-CB 3.97Å; L252-D256 HydrophobicContact CD2-CB 4.08Å; L252-R257 HydrophobicContact CB-CG 3.79Å; L252-R257 HydrophobicContact CD1-CG 4.37Å; L252-L260 HydrophobicContact CD1-CD2 4.22Å; L252-L387 HydrophobicContact CD2-CD2 3.87Å; L252-L387 HydrophobicContact CD2-CG 4.36Å; L252-L387 HydrophobicContact CG-CD2 4.38Å; L252-Q388 HydrophobicContact CD2-CG 4.06Å; L252-L391 HydrophobicContact CD1-CD1 3.92Å
253	S	94.5	Very high	95	Very high	31 Å²	31	33.8 Å²	33.8	22%	0.217	16%	0.164	C	C	.	.			trans	-68.6	167.7	167.2	76.3	0	0	0	0	111.3	I255 D256 R257	S253-I255 PolarHBondContact O-N 2.9Å; S253-I255 PolarHBondContact OG-N 3.15Å; S253-D256 WeakPolarHBondContact CA-OD2 3.2Å; S253-D256 WeakPolarHBondContact CB-OD2 3.35Å; S253-D256 PolarHBondContact N-OD2 3.26Å; S253-D256 WeakPolarHBondContact O-CB 3.22Å; S253-D256 PolarHBondContact O-N 2.88Å; S253-D256 PolarHBondContact OG-N 3.16Å; S253-D256 VanDerWaalsContact OG-N 3.16Å; S253-D256 PolarHBondContact OG-OD2 3.18Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.31Å; S253-R257 PolarHBondContact O-N 2.88Å; S253-R257 PolarHBondContact O-NE 3.13Å
254	D	93.6	Very high	95.1	Very high	51 Å²	51	29.2 Å²	29.2	27%	0.273	15%	0.146	S	C	.	.	H	α-helix	trans	-63.8	-35.3	179.3	-55	19.5	0	0	0	111	L201 F202 R257 L258	L201-D254 HydrophobicContact CD2-CB 3.41Å; L201-D254 VanDerWaalsContact CD2-CB 3.41Å; L201-D254 WeakPolarHBondContact CD2-OD2 3.37Å; F202-D254 HydrophobicContact CE2-CB 4.21Å; F202-D254 WeakPolarHBondContact CE2-O 3.38Å; F202-D254 VanDerWaalsContact CZ-C 3.48Å; F202-D254 HydrophobicContact CZ-CB 3.9Å; F202-D254 WeakPolarHBondContact CZ-O 3.34Å; D254-R257 PolarHBondContact O-N 2.84Å; D254-R257 IonicContact OD1-CZ 3.14Å; D254-R257 IonicContact OD1-NH2 3.95Å; D254-R257 PolarHBondContact OD1-NH2 3.47Å; D254-R257 IonicContact OD2-NH2 3.68Å; D254-L258 PolarHBondContact O-N 3.22Å; D254-L258 VanDerWaalsContact O-N 3.1Å
255	I	93.3	Very high	95.4	Very high	25 Å²	25	26.2 Å²	26.2	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-46.1	174.6	-68.8	171.1	0	0	0	109.5	F202 S253 R257 L258 C259 W328 V341 I345 K348	F202-I255 HydrophobicContact CE1-CG1 3.88Å; F202-I255 HydrophobicContact CZ-CG1 4.1Å; S253-I255 PolarHBondContact O-N 2.9Å; S253-I255 PolarHBondContact OG-N 3.15Å; I255-R257 VanDerWaalsContact C-N 3.27Å; I255-R257 PolarHBondContact O-N 2.9Å; I255-L258 PolarHBondContact O-N 3.25Å; I255-C259 WeakPolarHBondContact O-CB 3.18Å; I255-C259 PolarHBondContact O-N 2.7Å; I255-C259 PolarHBondContact O-SG 3.07Å; I255-W328 HydrophobicContact CD1-CZ2 4.25Å; I255-V341 HydrophobicContact CD1-CG1 4.09Å; I255-I345 HydrophobicContact CG2-CG1 3.87Å; I255-K348 HydrophobicContact CG2-CD 4.11Å
256	D	95.6	Very high	95.6	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-39.8	179.4	-60.6	-42.6	0	0	0	112	L252 S253 L260 K348 Q388	L252-D256 HydrophobicContact CB-CB 3.97Å; L252-D256 HydrophobicContact CD2-CB 4.08Å; S253-D256 WeakPolarHBondContact CA-OD2 3.2Å; S253-D256 WeakPolarHBondContact CB-OD2 3.35Å; S253-D256 PolarHBondContact N-OD2 3.26Å; S253-D256 WeakPolarHBondContact O-CB 3.22Å; S253-D256 PolarHBondContact O-N 2.88Å; S253-D256 PolarHBondContact OG-N 3.16Å; S253-D256 VanDerWaalsContact OG-N 3.16Å; S253-D256 PolarHBondContact OG-OD2 3.18Å; D256-L260 VanDerWaalsContact O-CB 3.25Å; D256-L260 WeakPolarHBondContact O-CB 3.37Å; D256-L260 PolarHBondContact O-N 3.3Å; D256-K348 WeakPolarHBondContact OD1-CD 3.35Å; D256-K348 WeakPolarHBondContact OD1-CE 3.46Å; D256-K348 IonicContact OD1-NZ 2.67Å; D256-K348 PolarHBondContact OD1-NZ 3.1Å; D256-Q388 PolarHBondContact O-NE2 3.12Å
257	R	97.4	Very high	95.9	Very high	40 Å²	40	23.2 Å²	23.2	15%	0.151	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-41.5	177.4	-68.4	-177.9	-77	153.5	-9.9	112.2	L242 L252 S253 D254 I255 L261	L242-R257 HydrophobicContact CD1-CB 4.17Å; L242-R257 HydrophobicContact CD1-CG 4.49Å; L242-R257 HydrophobicContact CD2-CB 4.37Å; L242-R257 HydrophobicContact CD2-CG 3.8Å; L252-R257 HydrophobicContact CB-CG 3.79Å; L252-R257 HydrophobicContact CD1-CG 4.37Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.31Å; S253-R257 PolarHBondContact O-N 2.88Å; S253-R257 PolarHBondContact O-NE 3.13Å; D254-R257 PolarHBondContact O-N 2.84Å; D254-R257 IonicContact OD1-CZ 3.14Å; D254-R257 IonicContact OD1-NH2 3.95Å; D254-R257 PolarHBondContact OD1-NH2 3.47Å; D254-R257 IonicContact OD2-NH2 3.68Å; I255-R257 VanDerWaalsContact C-N 3.27Å; I255-R257 PolarHBondContact O-N 2.9Å; R257-L261 PolarHBondContact O-N 3.22Å
258	L	97.2	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-50.7	175.1	178.2	64.4	0	0	0	111.2	F193 L198 F202 I204 D254 I255 L260 L261 V262 F317	F193-L258 HydrophobicContact CE1-CD1 3.9Å; L198-L258 HydrophobicContact CB-CD1 4.39Å; L198-L258 HydrophobicContact CD1-CD1 4.24Å; L198-L258 HydrophobicContact CD2-CB 4.26Å; F202-L258 HydrophobicContact CB-CD2 4.3Å; F202-L258 HydrophobicContact CD1-CD2 3.74Å; F202-L258 HydrophobicContact CD2-CB 4.39Å; F202-L258 HydrophobicContact CD2-CD2 3.72Å; F202-L258 HydrophobicContact CD2-CG 4.45Å; F202-L258 HydrophobicContact CE1-CD2 3.93Å; F202-L258 HydrophobicContact CE2-CB 3.91Å; F202-L258 HydrophobicContact CE2-CD2 3.89Å; F202-L258 HydrophobicContact CE2-CG 4.43Å; F202-L258 HydrophobicContact CG-CD2 3.64Å; F202-L258 HydrophobicContact CZ-CB 4.18Å; F202-L258 HydrophobicContact CZ-CD2 4.01Å; I204-L258 HydrophobicContact CD1-CD1 3.96Å; D254-L258 PolarHBondContact O-N 3.22Å; D254-L258 VanDerWaalsContact O-N 3.1Å; I255-L258 PolarHBondContact O-N 3.25Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.31Å; L258-L261 PolarHBondContact O-N 2.65Å; L258-V262 HydrophobicContact CD1-CG2 4.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.44Å; L258-V262 PolarHBondContact O-N 3.4Å; L258-F317 HydrophobicContact CD1-CE1 4.43Å; L258-F317 HydrophobicContact CD2-CD1 4.11Å; L258-F317 HydrophobicContact CD2-CE1 3.68Å; L258-F317 HydrophobicContact CG-CE1 4.02Å
259	C	98	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.9	-43.1	180	-68.5	0	0	0	0	111.5	I255 V262 A263 K348 I349 I352	I255-C259 WeakPolarHBondContact O-CB 3.18Å; I255-C259 PolarHBondContact O-N 2.7Å; I255-C259 PolarHBondContact O-SG 3.07Å; C259-V262 PolarHBondContact O-N 3.37Å; C259-A263 WeakPolarHBondContact O-CB 3.17Å; C259-A263 PolarHBondContact O-N 2.9Å; C259-K348 HydrophobicContact CB-CB 3.94Å; C259-I349 HydrophobicContact CB-CG1 4.08Å; C259-I352 HydrophobicContact CB-CD1 3.98Å
260	L	98.5	Very high	96.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-46.7	179.2	-172.8	65	0	0	0	111.9	L252 D256 L258 C264 I352 L391 M392	L252-L260 HydrophobicContact CD1-CD2 4.22Å; D256-L260 VanDerWaalsContact O-CB 3.25Å; D256-L260 WeakPolarHBondContact O-CB 3.37Å; D256-L260 PolarHBondContact O-N 3.3Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.31Å; L260-C264 PolarHBondContact O-N 3.04Å; L260-C264 PolarHBondContact O-SG 3.44Å; L260-I352 HydrophobicContact CB-CD1 4.35Å; L260-I352 HydrophobicContact CD1-CD1 4.31Å; L260-I352 HydrophobicContact CD1-CG2 4.02Å; L260-L391 HydrophobicContact CD2-CB 4.17Å; L260-L391 HydrophobicContact CD2-CD1 4.04Å; L260-M392 HydrophobicContact CD1-CB 4.36Å
261	L	98.7	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.9	-42.3	179.4	-176.8	63.9	0	0	0	112.3	F193 L196 L198 A235 C238 R257 L258 C264 L265	F193-L261 HydrophobicContact CD2-CD2 3.87Å; F193-L261 HydrophobicContact CE2-CD2 3.7Å; F193-L261 HydrophobicContact CE2-CG 4.14Å; F193-L261 HydrophobicContact CG-CD2 4.39Å; F193-L261 HydrophobicContact CZ-CD2 4.07Å; F193-L261 HydrophobicContact CZ-CG 4.4Å; L196-L261 HydrophobicContact CD1-CD2 3.92Å; L198-L261 HydrophobicContact CD1-CD2 3.81Å; A235-L261 HydrophobicContact CB-CD1 4.24Å; A235-L261 WeakPolarHBondContact O-CD1 3.37Å; C238-L261 HydrophobicContact CB-CD1 4.42Å; R257-L261 PolarHBondContact O-N 3.22Å; L258-L261 PolarHBondContact O-N 2.65Å; L261-C264 PolarHBondContact O-N 3.38Å; L261-L265 PolarHBondContact O-N 3.09Å
262	V	98.7	Very high	96.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.9	-44.1	177.7	173.3	0	0	0	0	110.6	F193 F212 L258 C259 C264 L265 C266 I316 F317 I349	F193-V262 HydrophobicContact CE1-CG2 4.26Å; F193-V262 HydrophobicContact CZ-CG2 3.88Å; F212-V262 HydrophobicContact CE1-CG1 4.37Å; F212-V262 HydrophobicContact CZ-CG1 4.07Å; L258-V262 HydrophobicContact CD1-CG2 4.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.44Å; L258-V262 PolarHBondContact O-N 3.4Å; C259-V262 PolarHBondContact O-N 3.37Å; V262-C264 VanDerWaalsContact C-N 3.33Å; V262-C264 PolarHBondContact O-N 2.86Å; V262-L265 WeakPolarHBondContact O-CB 3.17Å; V262-L265 PolarHBondContact O-N 3.31Å; V262-L265 VanDerWaalsContact O-N 3.14Å; V262-C266 PolarHBondContact O-N 3.23Å; V262-C266 PolarHBondContact O-SG 3.12Å; V262-I316 HydrophobicContact CG2-CD1 3.87Å; V262-F317 HydrophobicContact CB-CZ 4.46Å; V262-F317 HydrophobicContact CG1-CZ 4.12Å; V262-F317 HydrophobicContact CG2-CZ 4.09Å; V262-I349 HydrophobicContact CB-CD1 4.35Å; V262-I349 HydrophobicContact CG1-CD1 3.91Å
263	A	98.8	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-41.2	176.9	0	0	0	0	0	111.8	C259 L265 C266 H267 I349 I352 I353	C259-A263 WeakPolarHBondContact O-CB 3.17Å; C259-A263 PolarHBondContact O-N 2.9Å; A263-L265 VanDerWaalsContact C-N 3.26Å; A263-L265 PolarHBondContact O-N 3.14Å; A263-C266 CarbonylContact O-C 3.6Å; A263-C266 PolarHBondContact O-N 2.93Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 3.41Å; A263-I349 HydrophobicContact CB-CG2 4.38Å; A263-I352 HydrophobicContact CB-CB 3.75Å; A263-I352 HydrophobicContact CB-CD1 4.31Å; A263-I352 HydrophobicContact CB-CG2 3.4Å; A263-I353 HydrophobicContact CB-CG1 4.05Å
264	C	98.8	Very high	97.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.2	-40	174.5	-70.6	0	0	0	0	112.8	V234 A235 C238 L260 L261 V262 C266 H267	V234-C264 HydrophobicContact CG1-CB 3.94Å; A235-C264 HydrophobicContact CB-CB 3.95Å; C238-C264 HydrophobicContact CB-CB 4.37Å; C238-C264 VanDerWaalsContact CB-SG 3.54Å; L260-C264 PolarHBondContact O-N 3.04Å; L260-C264 PolarHBondContact O-SG 3.44Å; L261-C264 PolarHBondContact O-N 3.38Å; V262-C264 VanDerWaalsContact C-N 3.33Å; V262-C264 PolarHBondContact O-N 2.86Å; C264-C266 PolarHBondContact O-N 3.33Å; C264-H267 PolarHBondContact O-ND1 3.02Å
265	L	98.8	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-72.2	-15.7	177	-72	169.4	0	0	0	113.9	F193 L213 L216 Y220 W228 A235 L261 V262 A263	F193-L265 HydrophobicContact CE2-CD1 3.93Å; F193-L265 HydrophobicContact CZ-CD1 4.43Å; L213-L265 HydrophobicContact CD2-CD1 3.89Å; L216-L265 HydrophobicContact CD1-CB 3.84Å; Y220-L265 WeakPolarHBondContact CE2-O 3.5Å; Y220-L265 PolarHBondContact OH-O 3.22Å; W228-L265 HydrophobicContact CH2-CD2 4.22Å; A235-L265 HydrophobicContact CB-CD2 3.43Å; A235-L265 VanDerWaalsContact CB-CD2 3.43Å; A235-L265 HydrophobicContact CB-CG 3.63Å; L261-L265 PolarHBondContact O-N 3.09Å; V262-L265 WeakPolarHBondContact O-CB 3.17Å; V262-L265 PolarHBondContact O-N 3.31Å; V262-L265 VanDerWaalsContact O-N 3.14Å; A263-L265 VanDerWaalsContact C-N 3.26Å; A263-L265 PolarHBondContact O-N 3.14Å
266	C	98.6	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-116.1	-13.1	-170.5	-58.7	0	0	0	0	114.4	V262 A263 C264 D268 I269 T305 I353	V262-C266 PolarHBondContact O-N 3.23Å; V262-C266 PolarHBondContact O-SG 3.12Å; A263-C266 CarbonylContact O-C 3.6Å; A263-C266 PolarHBondContact O-N 2.93Å; C264-C266 PolarHBondContact O-N 3.33Å; C266-D268 PolarHBondContact O-N 3.22Å; C266-I269 HydrophobicContact CB-CD1 3.75Å; C266-I269 HydrophobicContact CB-CG1 4.45Å; C266-I269 VanDerWaalsContact O-CG1 3.3Å; C266-I269 WeakPolarHBondContact O-CG1 3.34Å; C266-I269 PolarHBondContact O-N 3.27Å; C266-T305 HydrophobicContact CB-CG2 3.92Å; C266-T305 WeakPolarHBondContact CB-OG1 3.34Å; C266-I353 HydrophobicContact CB-CD1 4.04Å
267	H	98.2	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	-162.9	76.4	-76.8	0	0	0	115.4	H230 A263 C264 H301 I353 T356 M392 D396	H230-H267 AromaticContact CD2-CE1 3.84Å; H230-H267 AromaticContact CD2-NE2 3.73Å; H230-H267 AromaticContact NE2-CE1 3.63Å; H230-H267 AromaticContact NE2-NE2 3.23Å; H230-H267 PolarHBondContact NE2-NE2 2.83Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 3.41Å; C264-H267 PolarHBondContact O-ND1 3.02Å; H267-H301 WeakPolarHBondContact O-CB 3.31Å; H267-H301 PolarHBondContact O-CD2 2.75Å; H267-I353 HydrophobicContact CB-CG1 4.29Å; H267-T356 HydrophobicContact CB-CG2 3.9Å; H267-M392 HydrophobicContact CB-CE 4.16Å; H267-D396 IonicContact NE2-OD1 2.69Å; H267-D396 PolarHBondContact NE2-OD1 2.85Å
268	D	98.2	Very high	96.9	Very high	9 Å²	9	15.6 Å²	15.6	5%	0.048	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	18.3	-174.3	-88.3	-3.4	0	0	0	112.9	Y220 H226 H230 C266 D270 H271 H301	Y220-D268 HydrophobicContact CE1-CB 3.63Å; Y220-D268 WeakPolarHBondContact CE1-O 3.4Å; Y220-D268 PolarHBondContact OH-N 3.41Å; H226-D268 IonicContact CD2-OD2 3.47Å; H226-D268 PolarHBondContact CD2-OD2 3.34Å; H226-D268 IonicContact CG-OD2 3.47Å; H230-D268 IonicContact CD2-OD2 3.5Å; H230-D268 PolarHBondContact CD2-OD2 2.82Å; H230-D268 IonicContact NE2-OD2 2.71Å; H230-D268 PolarHBondContact NE2-OD2 3.28Å; C266-D268 PolarHBondContact O-N 3.22Å; D268-D270 PolarHBondContact O-N 3Å; D268-H271 HydrophobicContact CB-CB 4.35Å; D268-H271 WeakPolarHBondContact O-CB 3.48Å; D268-H271 PolarHBondContact O-N 2.94Å; D268-H301 IonicContact OD1-CD2 3.61Å; D268-H301 IonicContact OD1-NE2 2.92Å
269	I	96.5	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135	-179.3	-69.5	167.3	0	0	0	110.9	L216 A219 Y220 C266 H271 H301 Q304 I308	L216-I269 HydrophobicContact CD2-CD1 3.45Å; L216-I269 VanDerWaalsContact CD2-CD1 3.45Å; L216-I269 HydrophobicContact CD2-CG1 4.3Å; A219-I269 HydrophobicContact CB-CG2 3.49Å; A219-I269 VanDerWaalsContact CB-CG2 3.49Å; Y220-I269 HydrophobicContact CD2-CG1 4.34Å; Y220-I269 HydrophobicContact CE2-CG1 3.62Å; Y220-I269 PolarHBondContact OH-N 2.84Å; C266-I269 HydrophobicContact CB-CD1 3.75Å; C266-I269 HydrophobicContact CB-CG1 4.45Å; C266-I269 VanDerWaalsContact O-CG1 3.3Å; C266-I269 WeakPolarHBondContact O-CG1 3.34Å; C266-I269 PolarHBondContact O-N 3.27Å; I269-H271 PolarHBondContact O-N 3.25Å; I269-H301 PolarHBondContact O-CE1 2.9Å; I269-H301 PolarHBondContact O-ND1 3.47Å; I269-Q304 HydrophobicContact CB-CB 4.18Å; I269-Q304 HydrophobicContact CG2-CB 3.51Å; I269-Q304 HydrophobicContact CG2-CG 4.11Å; I269-I308 HydrophobicContact CD1-CD1 4.31Å
270	D	95.6	Very high	96.4	Very high	22 Å²	22	19.7 Å²	19.7	12%	0.118	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	21.3	-177.3	-164.6	54.4	0	0	0	114.2	A219 R221 D268 R272 H300 Q304	A219-D270 WeakPolarHBondContact O-CA 3.27Å; A219-D270 PolarHBondContact O-N 3.04Å; R221-D270 IonicContact CZ-OD1 3.1Å; R221-D270 IonicContact NE-OD1 2.76Å; R221-D270 PolarHBondContact NE-OD1 3.05Å; R221-D270 IonicContact NH2-OD1 2.72Å; R221-D270 PolarHBondContact NH2-OD1 2.93Å; R221-D270 IonicContact NH2-OD2 3.89Å; D268-D270 PolarHBondContact O-N 3Å; D270-R272 VanDerWaalsContact O-CG 3.3Å; D270-R272 WeakPolarHBondContact O-CG 3.47Å; D270-R272 PolarHBondContact O-N 3.49Å; D270-R272 IonicContact OD2-CZ 3.86Å; D270-R272 IonicContact OD2-NE 3.24Å; D270-R272 IonicContact OD2-NH2 3.04Å; D270-R272 PolarHBondContact OD2-NH2 3.17Å; D270-H300 IonicContact OD2-CD2 3.19Å; D270-H300 IonicContact OD2-CE1 3.84Å; D270-H300 PolarHBondContact OD2-CE1 3.28Å; D270-H300 IonicContact OD2-NE2 3.07Å; D270-H300 PolarHBondContact OD2-NE2 3.39Å; D270-Q304 HydrophobicContact CB-CG 4.1Å
271	H	96.9	Very high	96.1	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.06	13%	0.13	C	C	.	.			trans	-58.5	130.4	173	-168.6	-81.8	0	0	0	111.4	R221 H226 D268 I269 G273 H301 E417	R221-H271 WeakPolarHBondContact CD-O 3.48Å; H226-H271 HydrophobicContact CB-CB 3.96Å; H226-H271 WeakPolarHBondContact CB-ND1 3.47Å; H226-H271 AromaticContact CG-CE1 3.72Å; H226-H271 AromaticContact CG-ND1 3.72Å; H226-H271 AromaticContact ND1-CE1 3.41Å; H226-H271 PolarHBondContact ND1-CE1 3.03Å; H226-H271 AromaticContact ND1-ND1 3.75Å; D268-H271 HydrophobicContact CB-CB 4.35Å; D268-H271 WeakPolarHBondContact O-CB 3.48Å; D268-H271 PolarHBondContact O-N 2.94Å; I269-H271 PolarHBondContact O-N 3.25Å; H271-G273 PolarHBondContact ND1-N 3.33Å; H271-G273 VanDerWaalsContact ND1-N 3.16Å; H271-H301 AromaticContact CD2-NE2 3.69Å; H271-E417 IonicContact CE1-OE1 2.9Å; H271-E417 PolarHBondContact CE1-OE1 3.35Å; H271-E417 IonicContact ND1-OE1 2.95Å
272	R	95.1	Very high	95.6	Very high	108 Å²	108	25.9 Å²	25.9	41%	0.408	14%	0.141	S	C	.	.			trans	-98.4	6.3	-165.7	-58.3	-171.8	176.1	-140	-5.6	114.7	D270 T274	D270-R272 VanDerWaalsContact O-CG 3.3Å; D270-R272 WeakPolarHBondContact O-CG 3.47Å; D270-R272 PolarHBondContact O-N 3.49Å; D270-R272 IonicContact OD2-CZ 3.86Å; D270-R272 IonicContact OD2-NE 3.24Å; D270-R272 IonicContact OD2-NH2 3.04Å; D270-R272 PolarHBondContact OD2-NH2 3.17Å; R272-T274 VanDerWaalsContact C-N 3.33Å
273	G	96.1	Very high	95.2	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	18%	0.175	C	C	.	.	S	Bend	trans	76.3	24.7	-176	0	0	0	0	0	113.3	H271 E417	H271-G273 PolarHBondContact ND1-N 3.33Å; H271-G273 VanDerWaalsContact ND1-N 3.16Å; G273-E417 VanDerWaalsContact CA-CD 3.46Å; G273-E417 VanDerWaalsContact CA-OE1 3.26Å; G273-E417 WeakPolarHBondContact CA-OE1 3.49Å
274	T	96.2	Very high	94.7	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	18%	0.184	C	C	.	.			trans	-144.6	150.8	-174.4	59.2	0	0	0	0	110.7	R272 F278 Q279 L297 Q421	R272-T274 VanDerWaalsContact C-N 3.33Å; T274-F278 HydrophobicContact CG2-CD1 3.7Å; T274-F278 HydrophobicContact CG2-CE1 3.79Å; T274-F278 HydrophobicContact CG2-CG 4.23Å; T274-F278 HydrophobicContact CG2-CZ 4.37Å; T274-Q279 PolarHBondContact OG1-NE2 2.87Å; T274-L297 WeakPolarHBondContact O-CD1 3.24Å; T274-Q421 HydrophobicContact CG2-CB 4.41Å; T274-Q421 HydrophobicContact CG2-CG 4.24Å
275	T	95	Very high	94.3	Very high	37 Å²	37	38.4 Å²	38.4	23%	0.227	21%	0.21	C	C	.	.			trans	-85.4	165.6	-176.4	64.2	0	0	0	0	114.6	S277 F278 Q279 Q421 M436	T275-S277 PolarHBondContact O-N 2.9Å; T275-S277 PolarHBondContact OG1-OG 3.08Å; T275-F278 WeakPolarHBondContact O-CB 3.33Å; T275-F278 PolarHBondContact O-N 2.83Å; T275-F278 VanDerWaalsContact O-N 3.11Å; T275-F278 PolarHBondContact OG1-N 3.04Å; T275-Q279 WeakPolarHBondContact O-CG 3.16Å; T275-Q279 PolarHBondContact O-N 3.19Å; T275-Q279 VanDerWaalsContact O-N 3.08Å; T275-Q421 PolarHBondContact OG1-NE2 3.5Å; T275-Q421 PolarHBondContact OG1-OE1 3.32Å; T275-M436 HydrophobicContact CG2-CE 3.69Å
276	N	94.1	Very high	93.8	Very high	31 Å²	31	39 Å²	39	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-52.3	-40.7	170.8	-82	-30.4	0	0	0	112.8	F278 Q279 V280 V296 L297 E298	N276-F278 PolarHBondContact O-N 3.42Å; N276-Q279 PolarHBondContact O-N 2.87Å; N276-V280 WeakPolarHBondContact O-CG2 3.31Å; N276-V280 PolarHBondContact O-N 3.27Å; N276-V280 VanDerWaalsContact O-N 3.12Å; N276-V296 WeakPolarHBondContact OD1-CB 3.19Å; N276-V296 PolarHBondContact OD1-N 3.21Å; N276-L297 WeakPolarHBondContact OD1-CB 3.33Å; N276-L297 VanDerWaalsContact OD1-CG 3.22Å; N276-L297 WeakPolarHBondContact OD1-CG 3.43Å; N276-L297 PolarHBondContact OD1-N 3.07Å; N276-E298 PolarHBondContact ND2-OE1 3.14Å; N276-E298 PolarHBondContact ND2-OE2 2.98Å
277	S	92.8	Very high	93.3	Very high	76 Å²	76	39.2 Å²	39.2	53%	0.531	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-41.8	177.9	60.2	0	0	0	0	112.2	T275 V280 Q281	T275-S277 PolarHBondContact O-N 2.9Å; T275-S277 PolarHBondContact OG1-OG 3.08Å; S277-V280 PolarHBondContact O-N 3.44Å; S277-Q281 WeakPolarHBondContact O-CB 3.41Å; S277-Q281 PolarHBondContact O-N 2.84Å
278	F	94.2	Very high	92.8	Very high	13 Å²	13	46 Å²	46	6%	0.057	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-45	176	176.6	-89.8	0	0	0	111.8	T274 T275 N276 V280 Q281 S282 Q421 L424 E425 M428	T274-F278 HydrophobicContact CG2-CD1 3.7Å; T274-F278 HydrophobicContact CG2-CE1 3.79Å; T274-F278 HydrophobicContact CG2-CG 4.23Å; T274-F278 HydrophobicContact CG2-CZ 4.37Å; T275-F278 WeakPolarHBondContact O-CB 3.33Å; T275-F278 PolarHBondContact O-N 2.83Å; T275-F278 VanDerWaalsContact O-N 3.11Å; T275-F278 PolarHBondContact OG1-N 3.04Å; N276-F278 PolarHBondContact O-N 3.42Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 3.24Å; F278-Q281 PolarHBondContact O-N 2.95Å; F278-S282 WeakPolarHBondContact O-CB 3.3Å; F278-S282 PolarHBondContact O-N 3.41Å; F278-S282 PolarHBondContact O-OG 3Å; F278-Q421 HydrophobicContact CB-CG 4.25Å; F278-Q421 HydrophobicContact CD2-CG 3.66Å; F278-Q421 HydrophobicContact CE2-CG 4.22Å; F278-Q421 HydrophobicContact CG-CG 4.04Å; F278-L424 HydrophobicContact CE2-CB 4.26Å; F278-L424 HydrophobicContact CZ-CB 4.39Å; F278-E425 HydrophobicContact CD2-CG 3.57Å; F278-E425 HydrophobicContact CE2-CG 3.76Å; F278-M428 HydrophobicContact CE2-CE 4.33Å; F278-M428 HydrophobicContact CE2-SD 4.29Å; F278-M428 HydrophobicContact CZ-CE 3.81Å; F278-M428 HydrophobicContact CZ-SD 4.28Å
279	Q	93.7	Very high	92	Very high	8 Å²	8	51 Å²	51	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-44.2	179.8	-65.8	-63	-42.5	0	0	111.3	T274 T275 N276 K283 T284 A287 V296 L297	T274-Q279 PolarHBondContact OG1-NE2 2.87Å; T275-Q279 WeakPolarHBondContact O-CG 3.16Å; T275-Q279 PolarHBondContact O-N 3.19Å; T275-Q279 VanDerWaalsContact O-N 3.08Å; N276-Q279 PolarHBondContact O-N 2.87Å; Q279-K283 PolarHBondContact O-N 2.9Å; Q279-T284 PolarHBondContact O-N 2.64Å; Q279-T284 VanDerWaalsContact O-N 3.13Å; Q279-T284 PolarHBondContact O-OG1 2.95Å; Q279-T284 VanDerWaalsContact OE1-CB 3.29Å; Q279-T284 PolarHBondContact OE1-OG1 3.41Å; Q279-A287 HydrophobicContact CB-CB 4.39Å; Q279-A287 WeakPolarHBondContact O-CB 3.4Å; Q279-V296 HydrophobicContact CB-CG1 4.24Å; Q279-L297 HydrophobicContact CG-CD2 4.06Å; Q279-L297 HydrophobicContact CG-CG 4.31Å
280	V	91.9	Very high	91.5	Very high	78 Å²	78	53.1 Å²	53.1	47%	0.473	28%	0.281	S	S	.	.	H	α-helix	trans	-69.8	-49.6	178.9	174.1	0	0	0	0	111.7	N276 S277 F278 S282 K283 A287 V296	N276-V280 WeakPolarHBondContact O-CG2 3.31Å; N276-V280 PolarHBondContact O-N 3.27Å; N276-V280 VanDerWaalsContact O-N 3.12Å; S277-V280 PolarHBondContact O-N 3.44Å; F278-V280 VanDerWaalsContact C-N 3.3Å; F278-V280 PolarHBondContact O-N 3.24Å; V280-S282 VanDerWaalsContact C-N 3.28Å; V280-S282 PolarHBondContact O-N 2.93Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-K283 VanDerWaalsContact O-N 3.08Å; V280-A287 HydrophobicContact CG2-CB 4.25Å; V280-V296 HydrophobicContact CG2-CG2 4.21Å
281	Q	90.8	Very high	90.8	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-38.8	-178.7	-175.1	175.4	17	0	0	111.9	S277 F278 K283	S277-Q281 WeakPolarHBondContact O-CB 3.41Å; S277-Q281 PolarHBondContact O-N 2.84Å; F278-Q281 PolarHBondContact O-N 2.95Å; Q281-K283 VanDerWaalsContact C-N 3.25Å; Q281-K283 PolarHBondContact O-N 2.86Å
282	S	89.5	Confident	89.8	Confident	33 Å²	33	59.8 Å²	59.8	23%	0.231	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.1	179.7	-53.7	0	0	0	0	113.4	F278 V280 T284	F278-S282 WeakPolarHBondContact O-CB 3.3Å; F278-S282 PolarHBondContact O-N 3.41Å; F278-S282 PolarHBondContact O-OG 3Å; V280-S282 VanDerWaalsContact C-N 3.28Å; V280-S282 PolarHBondContact O-N 2.93Å; S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.15Å
283	K	89.2	Confident	88.7	Confident	164 Å²	164	61.1 Å²	61.1	71%	0.713	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	40.7	-180	-58.8	-178.8	-178.7	179	0	113.2	Q279 V280 Q281 Q288	Q279-K283 PolarHBondContact O-N 2.9Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-K283 VanDerWaalsContact O-N 3.08Å; Q281-K283 VanDerWaalsContact C-N 3.25Å; Q281-K283 PolarHBondContact O-N 2.86Å; K283-Q288 PolarHBondContact O-NE2 3.19Å
284	T	89	Confident	88.2	Confident	32 Å²	32	62.2 Å²	62.2	20%	0.196	35%	0.353	C	S	.	.			trans	-62.1	161.4	-179.3	61.4	0	0	0	0	111.7	Q279 S282 L286 A287 Q288	Q279-T284 PolarHBondContact O-N 2.64Å; Q279-T284 VanDerWaalsContact O-N 3.13Å; Q279-T284 PolarHBondContact O-OG1 2.95Å; Q279-T284 VanDerWaalsContact OE1-CB 3.29Å; Q279-T284 PolarHBondContact OE1-OG1 3.41Å; S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.15Å; T284-L286 PolarHBondContact O-N 3.29Å; T284-A287 PolarHBondContact O-N 3.24Å; T284-A287 VanDerWaalsContact O-N 3.14Å; T284-A287 PolarHBondContact OG1-N 3.42Å; T284-Q288 WeakPolarHBondContact O-CG 3.33Å; T284-Q288 PolarHBondContact O-N 2.9Å
285	A	89.5	Confident	88	Confident	66 Å²	66	62.4 Å²	62.4	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-57	-36.4	174.4	0	0	0	0	0	112.3	Q288 L289	A285-Q288 PolarHBondContact O-N 3.49Å; A285-L289 VanDerWaalsContact O-CG 3.28Å; A285-L289 WeakPolarHBondContact O-CG 3Å; A285-L289 PolarHBondContact O-N 3.23Å
286	L	87.8	Confident	87.8	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-45.1	176.2	-65.3	-177.7	0	0	0	111.5	T284 Q288 L289 Y290 V296 L297 H300	T284-L286 PolarHBondContact O-N 3.29Å; L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.01Å; L286-L289 PolarHBondContact O-N 3.26Å; L286-Y290 HydrophobicContact CD2-CE2 4.3Å; L286-Y290 WeakPolarHBondContact O-CD2 3.42Å; L286-Y290 PolarHBondContact O-N 2.95Å; L286-V296 HydrophobicContact CB-CG1 3.93Å; L286-L297 HydrophobicContact CD1-CD2 4.27Å; L286-H300 HydrophobicContact CD2-CB 4.21Å; L286-H300 WeakPolarHBondContact CD2-ND1 3.36Å
287	A	88.6	Confident	87.9	Confident	6 Å²	6	59.6 Å²	59.6	5%	0.05	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-37	175.7	0	0	0	0	0	112.3	Q279 V280 T284 L289 S291	Q279-A287 HydrophobicContact CB-CB 4.39Å; Q279-A287 WeakPolarHBondContact O-CB 3.4Å; V280-A287 HydrophobicContact CG2-CB 4.25Å; T284-A287 PolarHBondContact O-N 3.24Å; T284-A287 VanDerWaalsContact O-N 3.14Å; T284-A287 PolarHBondContact OG1-N 3.42Å; A287-L289 VanDerWaalsContact C-N 3.29Å; A287-L289 PolarHBondContact O-N 2.94Å; A287-S291 WeakPolarHBondContact O-CA 3.34Å; A287-S291 WeakPolarHBondContact O-CB 3.45Å; A287-S291 PolarHBondContact O-N 2.99Å; A287-S291 PolarHBondContact O-OG 3.19Å
288	Q	87.1	Confident	88.1	Confident	143 Å²	143	56.9 Å²	56.9	67%	0.668	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-34.9	175.2	-69.3	176	-3.8	0	0	112.5	K283 T284 A285 L286	K283-Q288 PolarHBondContact O-NE2 3.19Å; T284-Q288 WeakPolarHBondContact O-CG 3.33Å; T284-Q288 PolarHBondContact O-N 2.9Å; A285-Q288 PolarHBondContact O-N 3.49Å; L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.01Å
289	L	82.1	Confident	88.1	Confident	114 Å²	114	56.7 Å²	56.7	60%	0.597	32%	0.318	S	S	*	.	H	α-helix	trans	-77.7	-42.2	179.8	-70.3	169.1	0	0	0	113	A285 L286 A287	A285-L289 VanDerWaalsContact O-CG 3.28Å; A285-L289 WeakPolarHBondContact O-CG 3Å; A285-L289 PolarHBondContact O-N 3.23Å; L286-L289 PolarHBondContact O-N 3.26Å; A287-L289 VanDerWaalsContact C-N 3.29Å; A287-L289 PolarHBondContact O-N 2.94Å
290	Y	85.5	Confident	88.1	Confident	43 Å²	43	56.7 Å²	56.7	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-114.9	-4.5	-167.4	-58.9	-62.8	0	0	0	115.1	L286 S292 E293 G294 C299 H300 A303	L286-Y290 HydrophobicContact CD2-CE2 4.3Å; L286-Y290 WeakPolarHBondContact O-CD2 3.42Å; L286-Y290 PolarHBondContact O-N 2.95Å; Y290-S292 PolarHBondContact O-N 3.38Å; Y290-S292 VanDerWaalsContact O-N 3.09Å; Y290-E293 PolarHBondContact O-N 2.98Å; Y290-G294 PolarHBondContact O-N 2.78Å; Y290-C299 HydrophobicContact CD1-CB 3.6Å; Y290-C299 HydrophobicContact CD2-CB 4.42Å; Y290-C299 HydrophobicContact CE1-CB 4.12Å; Y290-C299 HydrophobicContact CG-CB 3.77Å; Y290-H300 HydrophobicContact CD2-CB 4.11Å; Y290-H300 HydrophobicContact CE2-CB 3.71Å; Y290-A303 WeakPolarHBondContact OH-CB 3.49Å
291	S	80.7	Confident	88.3	Confident	68 Å²	68	53 Å²	53	48%	0.476	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30	-175.8	51.2	0	0	0	0	114.7	A287 E293 G294	A287-S291 WeakPolarHBondContact O-CA 3.34Å; A287-S291 WeakPolarHBondContact O-CB 3.45Å; A287-S291 PolarHBondContact O-N 2.99Å; A287-S291 PolarHBondContact O-OG 3.19Å; S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 2.98Å; S291-G294 PolarHBondContact O-N 3.22Å
292	S	77.4	Confident	88.5	Confident	108 Å²	108	50 Å²	50	76%	0.755	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.2	177	51.3	0	0	0	0	113.8	Y290	Y290-S292 PolarHBondContact O-N 3.38Å; Y290-S292 VanDerWaalsContact O-N 3.09Å
293	E	72.5	Confident	88.5	Confident	136 Å²	136	49.7 Å²	49.7	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-20.2	-179.6	-64.7	179.6	-152.8	0	0	112.1	Y290 S291 C299	Y290-E293 PolarHBondContact O-N 2.98Å; S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 2.98Å; E293-C299 PolarHBondContact OE2-SG 2.99Å; E293-C299 VanDerWaalsContact OE2-SG 3.33Å
294	G	84.4	Confident	88.5	Confident	30 Å²	30	44.5 Å²	44.5	31%	0.309	26%	0.258	S	S	.	.	S	Bend	trans	76.7	-179	-163.9	0	0	0	0	0	111.1	Y290 S291 V296	Y290-G294 PolarHBondContact O-N 2.78Å; S291-G294 PolarHBondContact O-N 3.22Å; G294-V296 VanDerWaalsContact C-N 3.3Å; G294-V296 PolarHBondContact O-N 3.28Å; G294-V296 VanDerWaalsContact O-N 3.15Å
295	S	91.5	Very high	88.7	Confident	14 Å²	14	43 Å²	43	10%	0.098	25%	0.249	C	C	.	.			trans	46.5	52.7	172.6	-49.3	0	0	0	0	112.8	L297 E298 C299 D357	S295-L297 VanDerWaalsContact C-N 3.29Å; S295-L297 PolarHBondContact O-N 3.3Å; S295-E298 WeakPolarHBondContact CA-OE2 3.46Å; S295-E298 VanDerWaalsContact CB-OE2 3.32Å; S295-E298 WeakPolarHBondContact CB-OE2 3.41Å; S295-E298 PolarHBondContact O-N 3.19Å; S295-C299 PolarHBondContact O-N 2.96Å; S295-D357 WeakPolarHBondContact CB-OD2 3.47Å; S295-D357 PolarHBondContact OG-OD2 2.87Å
296	V	92.5	Very high	88.7	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-53.6	-44.9	-165.9	167.9	0	0	0	0	112.1	N276 Q279 V280 L286 G294 H300	N276-V296 WeakPolarHBondContact OD1-CB 3.19Å; N276-V296 PolarHBondContact OD1-N 3.21Å; Q279-V296 HydrophobicContact CB-CG1 4.24Å; V280-V296 HydrophobicContact CG2-CG2 4.21Å; L286-V296 HydrophobicContact CB-CG1 3.93Å; G294-V296 VanDerWaalsContact C-N 3.3Å; G294-V296 PolarHBondContact O-N 3.28Å; G294-V296 VanDerWaalsContact O-N 3.15Å; V296-H300 PolarHBondContact O-N 3.3Å
297	L	96.2	Very high	88.7	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-42.5	179.7	-71	169.9	0	0	0	111.1	T274 N276 Q279 L286 S295 C299 H300 H301	T274-L297 WeakPolarHBondContact O-CD1 3.24Å; N276-L297 WeakPolarHBondContact OD1-CB 3.33Å; N276-L297 VanDerWaalsContact OD1-CG 3.22Å; N276-L297 WeakPolarHBondContact OD1-CG 3.43Å; N276-L297 PolarHBondContact OD1-N 3.07Å; Q279-L297 HydrophobicContact CG-CD2 4.06Å; Q279-L297 HydrophobicContact CG-CG 4.31Å; L286-L297 HydrophobicContact CD1-CD2 4.27Å; S295-L297 VanDerWaalsContact C-N 3.29Å; S295-L297 PolarHBondContact O-N 3.3Å; L297-C299 PolarHBondContact O-N 3.38Å; L297-H300 CarbonylContact O-C 3.54Å; L297-H300 WeakPolarHBondContact O-CA 3.09Å; L297-H300 VanDerWaalsContact O-CB 3.3Å; L297-H300 WeakPolarHBondContact O-CB 3.41Å; L297-H300 PolarHBondContact O-N 2.9Å; L297-H301 VanDerWaalsContact C-CD2 3.45Å; L297-H301 PolarHBondContact O-CD2 2.98Å; L297-H301 PolarHBondContact O-N 3.16Å; L297-H301 PolarHBondContact O-ND1 2.77Å; L297-H301 PolarHBondContact O-NE2 3.27Å
298	E	96.7	Very high	88.8	Confident	18 Å²	18	42.4 Å²	42.4	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-38.9	-178.4	-60.1	73.8	-164.2	0	0	111.5	N276 S295 H300 H301 F302 I353 L354 T356 D357	N276-E298 PolarHBondContact ND2-OE1 3.14Å; N276-E298 PolarHBondContact ND2-OE2 2.98Å; S295-E298 WeakPolarHBondContact CA-OE2 3.46Å; S295-E298 VanDerWaalsContact CB-OE2 3.32Å; S295-E298 WeakPolarHBondContact CB-OE2 3.41Å; S295-E298 PolarHBondContact O-N 3.19Å; E298-H300 VanDerWaalsContact C-N 3.3Å; E298-H300 PolarHBondContact O-N 3.2Å; E298-H301 PolarHBondContact O-N 3.11Å; E298-F302 PolarHBondContact O-N 3.47Å; E298-I353 HydrophobicContact CB-CG2 4.39Å; E298-I353 WeakPolarHBondContact O-CG2 3.3Å; E298-L354 HydrophobicContact CB-CD2 3.82Å; E298-T356 WeakPolarHBondContact CG-OG1 3.45Å; E298-D357 HydrophobicContact CG-CB 4.03Å
299	C	93	Very high	89	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-40.8	169.4	-73.8	0	0	0	0	111.6	Y290 E293 S295 L297 A303	Y290-C299 HydrophobicContact CD1-CB 3.6Å; Y290-C299 HydrophobicContact CD2-CB 4.42Å; Y290-C299 HydrophobicContact CE1-CB 4.12Å; Y290-C299 HydrophobicContact CG-CB 3.77Å; E293-C299 PolarHBondContact OE2-SG 2.99Å; E293-C299 VanDerWaalsContact OE2-SG 3.33Å; S295-C299 PolarHBondContact O-N 2.96Å; L297-C299 PolarHBondContact O-N 3.38Å; C299-A303 WeakPolarHBondContact O-CB 3.44Å; C299-A303 PolarHBondContact O-N 3.48Å
300	H	93.5	Very high	89.2	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-45.1	175.9	175.1	65.3	0	0	0	112.3	D270 L286 Y290 V296 L297 E298 F302 A303 Q304	D270-H300 IonicContact OD2-CD2 3.19Å; D270-H300 IonicContact OD2-CE1 3.84Å; D270-H300 PolarHBondContact OD2-CE1 3.28Å; D270-H300 IonicContact OD2-NE2 3.07Å; D270-H300 PolarHBondContact OD2-NE2 3.39Å; L286-H300 HydrophobicContact CD2-CB 4.21Å; L286-H300 WeakPolarHBondContact CD2-ND1 3.36Å; Y290-H300 HydrophobicContact CD2-CB 4.11Å; Y290-H300 HydrophobicContact CE2-CB 3.71Å; V296-H300 PolarHBondContact O-N 3.3Å; L297-H300 CarbonylContact O-C 3.54Å; L297-H300 WeakPolarHBondContact O-CA 3.09Å; L297-H300 VanDerWaalsContact O-CB 3.3Å; L297-H300 WeakPolarHBondContact O-CB 3.41Å; L297-H300 PolarHBondContact O-N 2.9Å; E298-H300 VanDerWaalsContact C-N 3.3Å; E298-H300 PolarHBondContact O-N 3.2Å; H300-F302 VanDerWaalsContact C-N 3.3Å; H300-F302 PolarHBondContact O-N 3.33Å; H300-A303 WeakPolarHBondContact O-CB 3.38Å; H300-A303 PolarHBondContact O-N 2.95Å; H300-A303 VanDerWaalsContact O-N 3.09Å; H300-Q304 PolarHBondContact CE1-NE2 3.44Å; H300-Q304 VanDerWaalsContact CE1-NE2 3.26Å; H300-Q304 WeakPolarHBondContact O-CG 3.24Å; H300-Q304 PolarHBondContact O-N 3.14Å
301	H	95.9	Very high	89.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-43.1	176.9	-58.7	-34.6	0	0	0	111.1	H267 D268 I269 H271 L297 E298 Q304 T305 I353	H267-H301 WeakPolarHBondContact O-CB 3.31Å; H267-H301 PolarHBondContact O-CD2 2.75Å; D268-H301 IonicContact OD1-CD2 3.61Å; D268-H301 IonicContact OD1-NE2 2.92Å; I269-H301 PolarHBondContact O-CE1 2.9Å; I269-H301 PolarHBondContact O-ND1 3.47Å; H271-H301 AromaticContact CD2-NE2 3.69Å; L297-H301 VanDerWaalsContact C-CD2 3.45Å; L297-H301 PolarHBondContact O-CD2 2.98Å; L297-H301 PolarHBondContact O-N 3.16Å; L297-H301 PolarHBondContact O-ND1 2.77Å; L297-H301 PolarHBondContact O-NE2 3.27Å; E298-H301 PolarHBondContact O-N 3.11Å; H301-Q304 PolarHBondContact O-N 2.84Å; H301-T305 PolarHBondContact O-N 2.98Å; H301-T305 PolarHBondContact O-OG1 2.83Å; H301-I353 HydrophobicContact CB-CG2 4.03Å
302	F	94.9	Very high	89.4	Confident	36 Å²	36	36.9 Å²	36.9	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-43.6	172.6	177.2	-110.7	0	0	0	112.4	E298 H300 Q304 T305 M306 I349 R350 I353	E298-F302 PolarHBondContact O-N 3.47Å; H300-F302 VanDerWaalsContact C-N 3.3Å; H300-F302 PolarHBondContact O-N 3.33Å; F302-Q304 VanDerWaalsContact C-N 3.33Å; F302-Q304 PolarHBondContact O-N 3.45Å; F302-T305 WeakPolarHBondContact O-CA 3.29Å; F302-T305 VanDerWaalsContact O-CB 3.25Å; F302-T305 WeakPolarHBondContact O-CB 3.49Å; F302-T305 PolarHBondContact O-N 3.32Å; F302-T305 VanDerWaalsContact O-N 3.11Å; F302-M306 HydrophobicContact CD1-CG 4.28Å; F302-M306 HydrophobicContact CD2-CG 4.36Å; F302-M306 HydrophobicContact CE1-CG 3.76Å; F302-M306 HydrophobicContact CE1-SD 4.39Å; F302-M306 HydrophobicContact CE2-CG 3.84Å; F302-M306 HydrophobicContact CE2-SD 3.74Å; F302-M306 HydrophobicContact CZ-CG 3.51Å; F302-M306 HydrophobicContact CZ-SD 3.56Å; F302-M306 VanDerWaalsContact CZ-SD 3.56Å; F302-M306 WeakPolarHBondContact O-CG 3.44Å; F302-M306 PolarHBondContact O-N 2.65Å; F302-I349 HydrophobicContact CD2-CG2 4.31Å; F302-I349 HydrophobicContact CE2-CG2 4.35Å; F302-R350 HydrophobicContact CD1-CB 4.14Å; F302-R350 HydrophobicContact CD1-CG 3.78Å; F302-R350 HydrophobicContact CD2-CB 3.76Å; F302-R350 HydrophobicContact CD2-CG 4.23Å; F302-R350 HydrophobicContact CE1-CB 3.92Å; F302-R350 HydrophobicContact CE1-CG 3.82Å; F302-R350 HydrophobicContact CE2-CB 3.53Å; F302-R350 HydrophobicContact CE2-CG 4.26Å; F302-R350 HydrophobicContact CG-CB 4.06Å; F302-R350 HydrophobicContact CG-CG 3.99Å; F302-R350 HydrophobicContact CZ-CB 3.61Å; F302-R350 HydrophobicContact CZ-CG 4.06Å; F302-I353 HydrophobicContact CB-CD1 4.42Å; F302-I353 HydrophobicContact CB-CG2 4.38Å; F302-I353 HydrophobicContact CD2-CD1 4.35Å
303	A	89.6	Confident	90	Very high	25 Å²	25	36.5 Å²	36.5	21%	0.207	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-41.3	176.8	0	0	0	0	0	112.3	Y290 C299 H300 T305 M306 C307	Y290-A303 WeakPolarHBondContact OH-CB 3.49Å; C299-A303 WeakPolarHBondContact O-CB 3.44Å; C299-A303 PolarHBondContact O-N 3.48Å; H300-A303 WeakPolarHBondContact O-CB 3.38Å; H300-A303 PolarHBondContact O-N 2.95Å; H300-A303 VanDerWaalsContact O-N 3.09Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-M306 PolarHBondContact O-N 2.84Å; A303-C307 WeakPolarHBondContact O-CB 3.4Å; A303-C307 PolarHBondContact O-N 3.02Å
304	Q	90.7	Very high	91	Very high	55 Å²	55	30.2 Å²	30.2	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-64.1	-38.7	173.5	-65.9	-53.4	-53.6	0	0	112.1	I269 D270 H300 H301 F302 M306 C307 I308	I269-Q304 HydrophobicContact CB-CB 4.18Å; I269-Q304 HydrophobicContact CG2-CB 3.51Å; I269-Q304 HydrophobicContact CG2-CG 4.11Å; D270-Q304 HydrophobicContact CB-CG 4.1Å; H300-Q304 PolarHBondContact CE1-NE2 3.44Å; H300-Q304 VanDerWaalsContact CE1-NE2 3.26Å; H300-Q304 WeakPolarHBondContact O-CG 3.24Å; H300-Q304 PolarHBondContact O-N 3.14Å; H301-Q304 PolarHBondContact O-N 2.84Å; F302-Q304 VanDerWaalsContact C-N 3.33Å; F302-Q304 PolarHBondContact O-N 3.45Å; Q304-M306 VanDerWaalsContact C-N 3.35Å; Q304-M306 PolarHBondContact O-N 3.29Å; Q304-C307 VanDerWaalsContact O-CB 3.27Å; Q304-C307 WeakPolarHBondContact O-CB 3.22Å; Q304-C307 PolarHBondContact O-N 2.73Å; Q304-I308 PolarHBondContact O-N 3.18Å
305	T	93.7	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-46.8	173.7	-54.7	0	0	0	0	111.1	C266 H301 F302 A303 I308 L309 I349	C266-T305 HydrophobicContact CB-CG2 3.92Å; C266-T305 WeakPolarHBondContact CB-OG1 3.34Å; H301-T305 PolarHBondContact O-N 2.98Å; H301-T305 PolarHBondContact O-OG1 2.83Å; F302-T305 WeakPolarHBondContact O-CA 3.29Å; F302-T305 VanDerWaalsContact O-CB 3.25Å; F302-T305 WeakPolarHBondContact O-CB 3.49Å; F302-T305 PolarHBondContact O-N 3.32Å; F302-T305 VanDerWaalsContact O-N 3.11Å; A303-T305 VanDerWaalsContact C-N 3.33Å; T305-I308 PolarHBondContact O-N 3.18Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 WeakPolarHBondContact O-CB 3.5Å; T305-L309 WeakPolarHBondContact O-CG 3.15Å; T305-L309 PolarHBondContact O-N 3.09Å; T305-I349 HydrophobicContact CG2-CG2 4.37Å
306	M	89	Confident	91.5	Very high	35 Å²	35	29.2 Å²	29.2	17%	0.172	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-43	177.7	-71.2	-51	-53	0	0	112.2	F302 A303 Q304 I308 L309 N310 L346	F302-M306 HydrophobicContact CD1-CG 4.28Å; F302-M306 HydrophobicContact CD2-CG 4.36Å; F302-M306 HydrophobicContact CE1-CG 3.76Å; F302-M306 HydrophobicContact CE1-SD 4.39Å; F302-M306 HydrophobicContact CE2-CG 3.84Å; F302-M306 HydrophobicContact CE2-SD 3.74Å; F302-M306 HydrophobicContact CZ-CG 3.51Å; F302-M306 HydrophobicContact CZ-SD 3.56Å; F302-M306 VanDerWaalsContact CZ-SD 3.56Å; F302-M306 WeakPolarHBondContact O-CG 3.44Å; F302-M306 PolarHBondContact O-N 2.65Å; A303-M306 PolarHBondContact O-N 2.84Å; Q304-M306 VanDerWaalsContact C-N 3.35Å; Q304-M306 PolarHBondContact O-N 3.29Å; M306-I308 PolarHBondContact O-N 3.44Å; M306-L309 PolarHBondContact O-N 3.5Å; M306-N310 WeakPolarHBondContact O-CB 3.41Å; M306-N310 PolarHBondContact O-N 3.39Å; M306-N310 PolarHBondContact O-ND2 3.31Å; M306-L346 HydrophobicContact CE-CD1 3.57Å; M306-L346 HydrophobicContact CE-CD2 4Å; M306-L346 HydrophobicContact CE-CG 4.32Å; M306-L346 HydrophobicContact SD-CD1 4.2Å; M306-L346 HydrophobicContact SD-CD2 3.77Å; M306-L346 HydrophobicContact SD-CG 4.36Å
307	C	87.5	Confident	91.5	Very high	36 Å²	36	29 Å²	29	24%	0.243	15%	0.149	C	C	.	.	H	α-helix	trans	-51.4	-52.7	172	-91.9	0	0	0	0	111.4	M141 A303 Q304 N310	M141-C307 HydrophobicContact CE-CB 3.62Å; M141-C307 WeakPolarHBondContact CE-O 3.25Å; M141-C307 HydrophobicContact SD-CB 3.35Å; M141-C307 WeakPolarHBondContact SD-CB 3.31Å; A303-C307 WeakPolarHBondContact O-CB 3.4Å; A303-C307 PolarHBondContact O-N 3.02Å; Q304-C307 VanDerWaalsContact O-CB 3.27Å; Q304-C307 WeakPolarHBondContact O-CB 3.22Å; Q304-C307 PolarHBondContact O-N 2.73Å; C307-N310 PolarHBondContact O-N 2.88Å
308	I	91.1	Very high	91	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-42.6	179.4	-65.9	170.5	0	0	0	111.7	M141 F212 L216 A219 I269 Q304 T305 M306 N310 I311 C314	M141-I308 HydrophobicContact CE-CG1 4.1Å; F212-I308 HydrophobicContact CD2-CG2 3.79Å; F212-I308 HydrophobicContact CE2-CG2 4.02Å; L216-I308 HydrophobicContact CD2-CD1 3.84Å; A219-I308 HydrophobicContact CB-CD1 3.87Å; I269-I308 HydrophobicContact CD1-CD1 4.31Å; Q304-I308 PolarHBondContact O-N 3.18Å; T305-I308 PolarHBondContact O-N 3.18Å; M306-I308 PolarHBondContact O-N 3.44Å; I308-N310 PolarHBondContact O-N 3.44Å; I308-I311 WeakPolarHBondContact O-CB 3.43Å; I308-I311 PolarHBondContact O-N 2.68Å; I308-C314 HydrophobicContact CG2-CB 4.1Å; I308-C314 VanDerWaalsContact O-CB 3.26Å; I308-C314 WeakPolarHBondContact O-CB 3.35Å
309	L	91.4	Very high	90.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-23.4	179.1	-72.9	173.2	0	0	0	113.5	F212 T305 M306 I311 N315 I316 F317 L346	F212-L309 HydrophobicContact CD2-CD2 4.07Å; F212-L309 HydrophobicContact CE2-CD2 3.64Å; F212-L309 HydrophobicContact CE2-CG 4.15Å; F212-L309 HydrophobicContact CZ-CD2 4.34Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 WeakPolarHBondContact O-CB 3.5Å; T305-L309 WeakPolarHBondContact O-CG 3.15Å; T305-L309 PolarHBondContact O-N 3.09Å; M306-L309 PolarHBondContact O-N 3.5Å; L309-I311 VanDerWaalsContact C-N 3.28Å; L309-N315 WeakPolarHBondContact O-CB 3.5Å; L309-I316 HydrophobicContact CD2-CG1 4.13Å; L309-F317 HydrophobicContact CD1-CD2 4.27Å; L309-F317 HydrophobicContact CD1-CE2 3.84Å; L309-F317 HydrophobicContact CD2-CD2 3.94Å; L309-F317 HydrophobicContact CD2-CE2 3.77Å; L309-F317 HydrophobicContact CG-CE2 4.49Å; L309-L346 HydrophobicContact CD1-CD2 4.03Å
310	N	85.3	Confident	89.2	Confident	94 Å²	94	30.3 Å²	30.3	50%	0.503	16%	0.159	S	C	.	.	H	α-helix	trans	-76.6	-13.7	175.4	-73.5	-22.3	0	0	0	113.1	M306 C307 I308 E312	M306-N310 WeakPolarHBondContact O-CB 3.41Å; M306-N310 PolarHBondContact O-N 3.39Å; M306-N310 PolarHBondContact O-ND2 3.31Å; C307-N310 PolarHBondContact O-N 2.88Å; I308-N310 PolarHBondContact O-N 3.44Å; N310-E312 PolarHBondContact O-N 3.15Å
311	I	85.6	Confident	87.2	Confident	42 Å²	42	32.9 Å²	32.9	22%	0.215	18%	0.178	C	C	.	.	S	Bend	trans	-72.1	118.9	167.8	-57.2	171.1	0	0	0	107.9	M141 Q145 I308 L309 E313 C314 N315	M141-I311 HydrophobicContact CE-CD1 3.61Å; M141-I311 HydrophobicContact CE-CG1 4.06Å; Q145-I311 HydrophobicContact CB-CD1 4.43Å; I308-I311 WeakPolarHBondContact O-CB 3.43Å; I308-I311 PolarHBondContact O-N 2.68Å; L309-I311 VanDerWaalsContact C-N 3.28Å; I311-E313 WeakPolarHBondContact CG2-OE2 3.36Å; I311-E313 PolarHBondContact O-N 3.27Å; I311-E313 VanDerWaalsContact O-N 3.14Å; I311-C314 HydrophobicContact CB-CB 4.02Å; I311-C314 HydrophobicContact CG2-CB 4.35Å; I311-C314 CarbonylContact O-C 3.57Å; I311-C314 WeakPolarHBondContact O-CA 3.35Å; I311-C314 PolarHBondContact O-N 3.21Å; I311-N315 PolarHBondContact O-N 2.88Å
312	E	86.1	Confident	84.9	Confident	116 Å²	116	36.7 Å²	36.7	54%	0.542	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-39.9	-174.2	175.4	52.9	-147.4	0	0	112.3	K208 N310 C314 N315	K208-E312 VanDerWaalsContact CE-O 3.27Å; K208-E312 WeakPolarHBondContact CE-O 3.48Å; K208-E312 PolarHBondContact NZ-O 3.42Å; K208-E312 IonicContact NZ-OE1 2.83Å; K208-E312 PolarHBondContact NZ-OE1 2.8Å; N310-E312 PolarHBondContact O-N 3.15Å; E312-C314 VanDerWaalsContact C-N 3.3Å; E312-C314 PolarHBondContact O-N 2.78Å; E312-N315 PolarHBondContact O-N 3.23Å
313	E	89.9	Confident	82.3	Confident	100 Å²	100	42.6 Å²	42.6	47%	0.467	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.9	179.1	-57.5	77.8	-172.1	0	0	114.3	K208 I311	K208-E313 VanDerWaalsContact CA-O 3.29Å; K208-E313 WeakPolarHBondContact CA-O 3.13Å; K208-E313 WeakPolarHBondContact CG-O 3.37Å; I311-E313 WeakPolarHBondContact CG2-OE2 3.36Å; I311-E313 PolarHBondContact O-N 3.27Å; I311-E313 VanDerWaalsContact O-N 3.14Å
314	C	92.1	Very high	80.1	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.027	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.6	175.5	-64.2	0	0	0	0	112.7	F212 S215 I308 I311 E312 I316	F212-C314 HydrophobicContact CB-CB 4.47Å; S215-C314 PolarHBondContact OG-SG 3.43Å; S215-C314 VanDerWaalsContact OG-SG 3.38Å; I308-C314 HydrophobicContact CG2-CB 4.1Å; I308-C314 VanDerWaalsContact O-CB 3.26Å; I308-C314 WeakPolarHBondContact O-CB 3.35Å; I311-C314 HydrophobicContact CB-CB 4.02Å; I311-C314 HydrophobicContact CG2-CB 4.35Å; I311-C314 CarbonylContact O-C 3.57Å; I311-C314 WeakPolarHBondContact O-CA 3.35Å; I311-C314 PolarHBondContact O-N 3.21Å; E312-C314 VanDerWaalsContact C-N 3.3Å; E312-C314 PolarHBondContact O-N 2.78Å; C314-I316 PolarHBondContact O-N 3.38Å
315	N	92.4	Very high	77.6	Confident	18 Å²	18	48 Å²	48	10%	0.096	25%	0.252	C	S	.	.			trans	-68.2	90.8	-179.9	-167.3	-20.1	0	0	0	112	K208 L309 I311 E312 F317 A318 Y342	K208-N315 WeakPolarHBondContact CD-O 3.38Å; L309-N315 WeakPolarHBondContact O-CB 3.5Å; I311-N315 PolarHBondContact O-N 2.88Å; E312-N315 PolarHBondContact O-N 3.23Å; N315-F317 PolarHBondContact O-N 3.25Å; N315-F317 WeakPolarHBondContact OD1-CA 3.45Å; N315-F317 PolarHBondContact OD1-N 3.38Å; N315-A318 HydrophobicContact CB-CB 4.12Å; N315-A318 VanDerWaalsContact O-CB 3.31Å; N315-A318 WeakPolarHBondContact O-CB 3.39Å; N315-A318 PolarHBondContact O-N 3.48Å; N315-A318 PolarHBondContact OD1-N 3.34Å; N315-Y342 PolarHBondContact ND2-OH 2.9Å
316	I	95	Very high	75.3	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.4	178.2	58.4	169	0	0	0	113.1	I204 L209 F212 V262 L309 C314	I204-I316 HydrophobicContact CG2-CB 3.96Å; I204-I316 HydrophobicContact CG2-CG2 4.2Å; L209-I316 HydrophobicContact CB-CG2 4.17Å; L209-I316 HydrophobicContact CD1-CG2 4.03Å; F212-I316 HydrophobicContact CB-CG2 3.69Å; F212-I316 HydrophobicContact CD1-CD1 4.06Å; F212-I316 HydrophobicContact CD1-CG2 4.06Å; F212-I316 HydrophobicContact CE1-CD1 3.9Å; F212-I316 HydrophobicContact CG-CG2 3.86Å; F212-I316 HydrophobicContact CZ-CD1 4.33Å; V262-I316 HydrophobicContact CG2-CD1 3.87Å; L309-I316 HydrophobicContact CD2-CG1 4.13Å; C314-I316 PolarHBondContact O-N 3.38Å
317	F	92.4	Very high	73.2	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.5	179.1	-48.6	-60.2	0	0	0	113.1	L258 V262 L309 N315 N319 L320 Y342 I345 I349	L258-F317 HydrophobicContact CD1-CE1 4.43Å; L258-F317 HydrophobicContact CD2-CD1 4.11Å; L258-F317 HydrophobicContact CD2-CE1 3.68Å; L258-F317 HydrophobicContact CG-CE1 4.02Å; V262-F317 HydrophobicContact CB-CZ 4.46Å; V262-F317 HydrophobicContact CG1-CZ 4.12Å; V262-F317 HydrophobicContact CG2-CZ 4.09Å; L309-F317 HydrophobicContact CD1-CD2 4.27Å; L309-F317 HydrophobicContact CD1-CE2 3.84Å; L309-F317 HydrophobicContact CD2-CD2 3.94Å; L309-F317 HydrophobicContact CD2-CE2 3.77Å; L309-F317 HydrophobicContact CG-CE2 4.49Å; N315-F317 PolarHBondContact O-N 3.25Å; N315-F317 WeakPolarHBondContact OD1-CA 3.45Å; N315-F317 PolarHBondContact OD1-N 3.38Å; F317-N319 PolarHBondContact O-N 3.03Å; F317-N319 VanDerWaalsContact O-N 3.12Å; F317-L320 HydrophobicContact CB-CD1 4.22Å; F317-L320 HydrophobicContact CD1-CD1 4.21Å; F317-L320 VanDerWaalsContact O-CB 3.31Å; F317-L320 WeakPolarHBondContact O-CB 3.33Å; F317-L320 PolarHBondContact O-N 2.68Å; F317-Y342 HydrophobicContact CB-CD2 3.83Å; F317-Y342 HydrophobicContact CB-CE2 3.78Å; F317-I345 HydrophobicContact CD1-CD1 4.31Å; F317-I345 HydrophobicContact CD1-CG2 4.05Å; F317-I345 HydrophobicContact CD2-CG2 4.09Å; F317-I345 HydrophobicContact CE1-CG2 3.84Å; F317-I345 HydrophobicContact CE2-CG2 3.87Å; F317-I345 HydrophobicContact CG-CG2 4.17Å; F317-I345 HydrophobicContact CZ-CG2 3.74Å; F317-I349 HydrophobicContact CE2-CD1 3.82Å; F317-I349 HydrophobicContact CZ-CD1 3.72Å
318	A	85.3	Confident	71.3	Confident	20 Å²	20	55.4 Å²	55.4	17%	0.165	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.6	-176.1	0	0	0	0	0	113.8	K208 N315 L320 S321	K208-A318 HydrophobicContact CD-CB 4.5Å; N315-A318 HydrophobicContact CB-CB 4.12Å; N315-A318 VanDerWaalsContact O-CB 3.31Å; N315-A318 WeakPolarHBondContact O-CB 3.39Å; N315-A318 PolarHBondContact O-N 3.48Å; N315-A318 PolarHBondContact OD1-N 3.34Å; A318-L320 PolarHBondContact O-N 2.87Å; A318-S321 WeakPolarHBondContact O-CB 3.47Å; A318-S321 PolarHBondContact O-N 3.18Å
319	N	80.7	Confident	68.9	Low	37 Å²	37	56.2 Å²	56.2	20%	0.198	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-79.5	1.6	177.1	-76.4	-11.5	0	0	0	113.7	R203 F317 V324	R203-N319 HydrophobicContact CB-CB 4.27Å; R203-N319 PolarHBondContact O-ND2 2.87Å; F317-N319 PolarHBondContact O-N 3.03Å; F317-N319 VanDerWaalsContact O-N 3.12Å; N319-V324 WeakPolarHBondContact O-CB 3.18Å; N319-V324 WeakPolarHBondContact O-CG1 3.37Å
320	L	70.5	Confident	66.7	Low	4 Å²	4	63.4 Å²	63.4	2%	0.021	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-91.9	-7	168.1	-55.3	176.4	0	0	0	111.6	F202 F317 A318 P326 S338 I345	F202-L320 HydrophobicContact CB-CD2 4.41Å; F202-L320 HydrophobicContact CD1-CD1 3.97Å; F202-L320 HydrophobicContact CD1-CD2 3.97Å; F317-L320 HydrophobicContact CB-CD1 4.22Å; F317-L320 HydrophobicContact CD1-CD1 4.21Å; F317-L320 VanDerWaalsContact O-CB 3.31Å; F317-L320 WeakPolarHBondContact O-CB 3.33Å; F317-L320 PolarHBondContact O-N 2.68Å; A318-L320 PolarHBondContact O-N 2.87Å; L320-P326 HydrophobicContact CD2-CG 4.27Å; L320-S338 WeakPolarHBondContact O-CB 3.25Å; L320-I345 HydrophobicContact CD1-CD1 3.28Å
321	S	51.5	Low	64.5	Low	62 Å²	62	68 Å²	68	43%	0.434	34%	0.338	S	S	.	.	S	Bend	trans	-67.4	155.6	174.7	-159.7	0	0	0	0	111.6	A318 N323 V324	A318-S321 WeakPolarHBondContact O-CB 3.47Å; A318-S321 PolarHBondContact O-N 3.18Å; S321-N323 PolarHBondContact O-N 3.31Å; S321-V324 PolarHBondContact O-N 3.46Å
322	P	47.9	Very low	62.3	Low	79 Å²	79	69 Å²	69	51%	0.513	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-17.7	-154.8	-32.4	36.2	0	0	0	121.2	S338	P322-S338 VanDerWaalsContact CA-CB 3.48Å
323	N	41.2	Very low	59.7	Low	160 Å²	160	72.5 Å²	72.5	86%	0.856	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	4.1	-171.9	-67.5	-27.5	0	0	0	114.8	S321	S321-N323 PolarHBondContact O-N 3.31Å
324	V	42.2	Very low	57.3	Low	36 Å²	36	77.4 Å²	77.4	22%	0.218	38%	0.382	C	S	.	.			trans	-132.4	96.4	-171.8	-174.1	0	0	0	0	110	N319 S321 P326	N319-V324 WeakPolarHBondContact O-CB 3.18Å; N319-V324 WeakPolarHBondContact O-CG1 3.37Å; S321-V324 PolarHBondContact O-N 3.46Å; V324-P326 WeakPolarHBondContact O-CD 3.45Å
325	R	39.9	Very low	54.9	Low	157 Å²	157	81.4 Å²	81.4	59%	0.592	42%	0.415	S	S	*	.			trans	-62.9	114.2	171.4	-74.6	-174.8	170.8	-168.5	-1.7	109.7	R203	R203-R325 PolarHBondContact NH1-O 3.07Å; R203-R325 PolarHBondContact NH2-O 3.05Å
326	P	44.8	Very low	52.5	Low	9 Å²	9	87.8 Å²	87.8	6%	0.058	45%	0.45	C	S	.	.			trans	-61.1	152	169.6	-19.3	32.7	0	0	0	110.4	L320 V324 W328 C329	L320-P326 HydrophobicContact CD2-CG 4.27Å; V324-P326 WeakPolarHBondContact O-CD 3.45Å; P326-W328 HydrophobicContact CB-CG 4.16Å; P326-W328 VanDerWaalsContact CB-NE1 3.28Å; P326-W328 PolarHBondContact O-N 2.99Å; P326-W328 VanDerWaalsContact O-N 3.08Å; P326-C329 WeakPolarHBondContact O-CB 3.45Å; P326-C329 PolarHBondContact O-N 3.45Å
327	L	44.1	Very low	50.6	Low	124 Å²	124	89.3 Å²	89.3	65%	0.649	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-57	-28.6	-179.2	-122.6	79.4	0	0	0	112.7	C329	L327-C329 VanDerWaalsContact C-N 3.31Å; L327-C329 PolarHBondContact O-N 3.33Å
328	W	47.2	Very low	49	Very low	94 Å²	94	90.3 Å²	90.3	36%	0.356	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-73.6	-17.4	177.9	70	-99.8	0	0	0	113.9	I255 P326 F330 V341	I255-W328 HydrophobicContact CD1-CZ2 4.25Å; P326-W328 HydrophobicContact CB-CG 4.16Å; P326-W328 VanDerWaalsContact CB-NE1 3.28Å; P326-W328 PolarHBondContact O-N 2.99Å; P326-W328 VanDerWaalsContact O-N 3.08Å; W328-F330 VanDerWaalsContact C-N 3.29Å; W328-F330 PolarHBondContact O-N 3.44Å; W328-V341 HydrophobicContact CH2-CG2 4.16Å; W328-V341 HydrophobicContact CZ2-CG2 4.06Å
329	C	40.8	Very low	47.9	Very low	19 Å²	19	95 Å²	95	13%	0.128	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-79.8	-2.4	178	-70.5	0	0	0	0	114.3	P326 L327 H331 S332	P326-C329 WeakPolarHBondContact O-CB 3.45Å; P326-C329 PolarHBondContact O-N 3.45Å; L327-C329 VanDerWaalsContact C-N 3.31Å; L327-C329 PolarHBondContact O-N 3.33Å; C329-H331 PolarHBondContact O-N 3.37Å; C329-H331 VanDerWaalsContact O-N 3.08Å; C329-S332 PolarHBondContact O-N 3.02Å
330	F	44.9	Very low	47.7	Very low	150 Å²	150	99.1 Å²	99.1	66%	0.658	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-62.7	-15.9	178.7	-97.2	-86	0	0	0	114.2	W328	W328-F330 VanDerWaalsContact C-N 3.29Å; W328-F330 PolarHBondContact O-N 3.44Å
331	H	40	Very low	48.2	Very low	190 Å²	190	99.6 Å²	99.6	88%	0.88	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-107.2	2.4	179.1	-72.5	85.3	0	0	0	115	C329	C329-H331 PolarHBondContact O-N 3.37Å; C329-H331 VanDerWaalsContact O-N 3.08Å
332	S	39.5	Very low	49.8	Very low	63 Å²	63	98.5 Å²	98.5	44%	0.441	49%	0.494	S	S	.	.			trans	-127.6	107.3	177.7	179.2	0	0	0	0	111.4	C329 R334	C329-S332 PolarHBondContact O-N 3.02Å; S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 3.16Å
333	M	31.9	Very low	51.6	Low	190 Å²	190	99.1 Å²	99.1	94%	0.936	49%	0.49	S	S	*	.			trans	-82.1	61.5	-174	-156.6	-176.6	-24.5	0	0	111.9
334	R	39.1	Very low	54	Low	203 Å²	203	94 Å²	94	77%	0.766	47%	0.465	S	S	*	.			trans	-132.6	112.9	169.3	-105.1	-177.4	160.4	97.6	-2.2	110.4	S332 N336 N337	S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 3.16Å; R334-N336 VanDerWaalsContact C-N 3.33Å; R334-N336 PolarHBondContact O-N 3.35Å; R334-N337 WeakPolarHBondContact O-CB 3.36Å
335	A	41.4	Very low	56.4	Low	88 Å²	88	92.3 Å²	92.3	73%	0.727	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.2	-173.5	0	0	0	0	0	114.9
336	N	41.7	Very low	58.9	Low	153 Å²	153	85.3 Å²	85.3	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	17	177.5	-80	-2.1	0	0	0	114.1	R334	R334-N336 VanDerWaalsContact C-N 3.33Å; R334-N336 PolarHBondContact O-N 3.35Å
337	N	56.2	Low	61.2	Low	37 Å²	37	87.5 Å²	87.5	20%	0.198	44%	0.44	C	S	.	.	H	α-helix	trans	-88.9	-24.1	-160.6	-144.6	14.5	0	0	0	115.1	R334 Q340 V341	R334-N337 WeakPolarHBondContact O-CB 3.36Å; N337-Q340 PolarHBondContact O-N 3.42Å; N337-V341 VanDerWaalsContact O-CG2 3.27Å; N337-V341 WeakPolarHBondContact O-CG2 3.36Å; N337-V341 PolarHBondContact O-N 2.7Å
338	S	57.6	Low	63.7	Low	21 Å²	21	83.4 Å²	83.4	15%	0.147	42%	0.417	C	S	.	.	H	α-helix	trans	-68.9	-46.3	-170.2	-70.5	0	0	0	0	114.7	L320 P322 Q340 V341 Y342	L320-S338 WeakPolarHBondContact O-CB 3.25Å; P322-S338 VanDerWaalsContact CA-CB 3.48Å; S338-Q340 VanDerWaalsContact C-N 3.25Å; S338-Q340 PolarHBondContact O-N 2.93Å; S338-V341 PolarHBondContact O-N 3.22Å; S338-Y342 PolarHBondContact O-N 2.91Å
339	L	62.9	Low	66	Low	119 Å²	119	79 Å²	79	62%	0.623	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-37.1	175.9	-176.5	65.1	0	0	0	110.7	Y342 Q343	L339-Y342 PolarHBondContact O-N 3.44Å; L339-Q343 PolarHBondContact O-N 3.48Å
340	Q	75.7	Confident	68.7	Low	123 Å²	123	82.6 Å²	82.6	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-64.6	-41.5	174.9	-168.1	172.7	20	0	0	111.5	N337 S338 Q343 T344	N337-Q340 PolarHBondContact O-N 3.42Å; S338-Q340 VanDerWaalsContact C-N 3.25Å; S338-Q340 PolarHBondContact O-N 2.93Å; Q340-Q343 PolarHBondContact O-N 2.93Å; Q340-T344 WeakPolarHBondContact O-CB 3.18Å; Q340-T344 PolarHBondContact O-N 3.33Å; Q340-T344 PolarHBondContact O-OG1 3.18Å
341	V	81.9	Confident	71.1	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.085	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-42.9	175.5	170.5	0	0	0	0	111.8	I255 W328 N337 S338 T344 I345	I255-V341 HydrophobicContact CD1-CG1 4.09Å; W328-V341 HydrophobicContact CH2-CG2 4.16Å; W328-V341 HydrophobicContact CZ2-CG2 4.06Å; N337-V341 VanDerWaalsContact O-CG2 3.27Å; N337-V341 WeakPolarHBondContact O-CG2 3.36Å; N337-V341 PolarHBondContact O-N 2.7Å; S338-V341 PolarHBondContact O-N 3.22Å; V341-T344 PolarHBondContact O-N 3.16Å; V341-I345 HydrophobicContact CG1-CD1 3.99Å; V341-I345 WeakPolarHBondContact O-CG1 3.3Å; V341-I345 PolarHBondContact O-N 3.32Å
342	Y	85	Confident	73.8	Confident	39 Å²	39	68.9 Å²	68.9	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-47.9	175.6	-177.8	-98.5	0	0	0	110.9	N315 F317 S338 L339 T344 I345 L346	N315-Y342 PolarHBondContact ND2-OH 2.9Å; F317-Y342 HydrophobicContact CB-CD2 3.83Å; F317-Y342 HydrophobicContact CB-CE2 3.78Å; S338-Y342 PolarHBondContact O-N 2.91Å; L339-Y342 PolarHBondContact O-N 3.44Å; Y342-T344 PolarHBondContact O-N 3.12Å; Y342-I345 WeakPolarHBondContact O-CB 3.47Å; Y342-I345 PolarHBondContact O-N 3.02Å; Y342-L346 HydrophobicContact CD1-CD1 3.92Å; Y342-L346 HydrophobicContact CD1-CG 4.39Å; Y342-L346 HydrophobicContact CE1-CD1 3.39Å; Y342-L346 HydrophobicContact CE1-CG 4.11Å; Y342-L346 WeakPolarHBondContact O-CG 3.28Å; Y342-L346 PolarHBondContact O-N 3.23Å; Y342-L346 VanDerWaalsContact O-N 3.11Å
343	Q	86.3	Confident	76.6	Confident	93 Å²	93	65.9 Å²	65.9	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.5	-170.9	60.6	43.1	0	0	111.9	L339 Q340 I345 L346 D347	L339-Q343 PolarHBondContact O-N 3.48Å; Q340-Q343 PolarHBondContact O-N 2.93Å; Q343-I345 VanDerWaalsContact C-N 3.26Å; Q343-I345 PolarHBondContact O-N 3.3Å; Q343-L346 PolarHBondContact O-N 3.08Å; Q343-L346 VanDerWaalsContact O-N 3.11Å; Q343-D347 PolarHBondContact NE2-OD1 2.88Å; Q343-D347 VanDerWaalsContact O-CG 3.27Å; Q343-D347 PolarHBondContact O-N 3.3Å
344	T	90	Very high	79.6	Confident	52 Å²	52	58.3 Å²	58.3	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-37.1	175.9	-61.9	0	0	0	0	112.4	Q340 V341 Y342 K348	Q340-T344 WeakPolarHBondContact O-CB 3.18Å; Q340-T344 PolarHBondContact O-N 3.33Å; Q340-T344 PolarHBondContact O-OG1 3.18Å; V341-T344 PolarHBondContact O-N 3.16Å; Y342-T344 PolarHBondContact O-N 3.12Å; T344-K348 HydrophobicContact CG2-CD 4.1Å; T344-K348 WeakPolarHBondContact O-CB 3.5Å; T344-K348 VanDerWaalsContact O-CG 3.3Å; T344-K348 WeakPolarHBondContact O-CG 3.45Å; T344-K348 PolarHBondContact O-N 3.19Å
345	I	93.3	Very high	82.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-46.8	176	-75.9	166.3	0	0	0	110.6	I255 F317 L320 V341 Y342 Q343 K348 I349	I255-I345 HydrophobicContact CG2-CG1 3.87Å; F317-I345 HydrophobicContact CD1-CD1 4.31Å; F317-I345 HydrophobicContact CD1-CG2 4.05Å; F317-I345 HydrophobicContact CD2-CG2 4.09Å; F317-I345 HydrophobicContact CE1-CG2 3.84Å; F317-I345 HydrophobicContact CE2-CG2 3.87Å; F317-I345 HydrophobicContact CG-CG2 4.17Å; F317-I345 HydrophobicContact CZ-CG2 3.74Å; L320-I345 HydrophobicContact CD1-CD1 3.28Å; V341-I345 HydrophobicContact CG1-CD1 3.99Å; V341-I345 WeakPolarHBondContact O-CG1 3.3Å; V341-I345 PolarHBondContact O-N 3.32Å; Y342-I345 WeakPolarHBondContact O-CB 3.47Å; Y342-I345 PolarHBondContact O-N 3.02Å; Q343-I345 VanDerWaalsContact C-N 3.26Å; Q343-I345 PolarHBondContact O-N 3.3Å; I345-K348 PolarHBondContact O-N 2.95Å; I345-I349 HydrophobicContact CG2-CD1 3.8Å; I345-I349 VanDerWaalsContact O-CG1 3.31Å; I345-I349 WeakPolarHBondContact O-CG1 3.46Å; I345-I349 PolarHBondContact O-N 2.98Å
346	L	92.4	Very high	84.7	Confident	11 Å²	11	45 Å²	45	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-43.9	179.6	-61.9	-176.6	0	0	0	111.6	M306 L309 Y342 Q343 K348 I349 R350	M306-L346 HydrophobicContact CE-CD1 3.57Å; M306-L346 HydrophobicContact CE-CD2 4Å; M306-L346 HydrophobicContact CE-CG 4.32Å; M306-L346 HydrophobicContact SD-CD1 4.2Å; M306-L346 HydrophobicContact SD-CD2 3.77Å; M306-L346 HydrophobicContact SD-CG 4.36Å; L309-L346 HydrophobicContact CD1-CD2 4.03Å; Y342-L346 HydrophobicContact CD1-CD1 3.92Å; Y342-L346 HydrophobicContact CD1-CG 4.39Å; Y342-L346 HydrophobicContact CE1-CD1 3.39Å; Y342-L346 HydrophobicContact CE1-CG 4.11Å; Y342-L346 WeakPolarHBondContact O-CG 3.28Å; Y342-L346 PolarHBondContact O-N 3.23Å; Y342-L346 VanDerWaalsContact O-N 3.11Å; Q343-L346 PolarHBondContact O-N 3.08Å; Q343-L346 VanDerWaalsContact O-N 3.11Å; L346-K348 VanDerWaalsContact C-N 3.34Å; L346-K348 PolarHBondContact O-N 3.08Å; L346-I349 PolarHBondContact O-N 2.99Å; L346-R350 WeakPolarHBondContact O-CB 3.13Å; L346-R350 PolarHBondContact O-N 2.92Å
347	D	92.9	Very high	87.3	Confident	54 Å²	54	38.7 Å²	38.7	29%	0.289	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-42.8	177.3	-66.3	-21	0	0	0	111	Q343 R350 D351	Q343-D347 PolarHBondContact NE2-OD1 2.88Å; Q343-D347 VanDerWaalsContact O-CG 3.27Å; Q343-D347 PolarHBondContact O-N 3.3Å; D347-R350 WeakPolarHBondContact O-CB 3.39Å; D347-R350 PolarHBondContact O-N 3Å; D347-D351 WeakPolarHBondContact O-CB 3.29Å; D347-D351 PolarHBondContact O-N 3.44Å
348	K	95.8	Very high	89.1	Confident	39 Å²	39	39.9 Å²	39.9	17%	0.17	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-42.7	175.7	-78	176.7	177.4	-73.3	0	112.7	I255 D256 C259 T344 I345 L346 R350 D351 I352	I255-K348 HydrophobicContact CG2-CD 4.11Å; D256-K348 WeakPolarHBondContact OD1-CD 3.35Å; D256-K348 WeakPolarHBondContact OD1-CE 3.46Å; D256-K348 IonicContact OD1-NZ 2.67Å; D256-K348 PolarHBondContact OD1-NZ 3.1Å; C259-K348 HydrophobicContact CB-CB 3.94Å; T344-K348 HydrophobicContact CG2-CD 4.1Å; T344-K348 WeakPolarHBondContact O-CB 3.5Å; T344-K348 VanDerWaalsContact O-CG 3.3Å; T344-K348 WeakPolarHBondContact O-CG 3.45Å; T344-K348 PolarHBondContact O-N 3.19Å; I345-K348 PolarHBondContact O-N 2.95Å; L346-K348 VanDerWaalsContact C-N 3.34Å; L346-K348 PolarHBondContact O-N 3.08Å; K348-R350 VanDerWaalsContact C-N 3.32Å; K348-D351 PolarHBondContact O-N 2.97Å; K348-I352 WeakPolarHBondContact O-CB 3.42Å; K348-I352 WeakPolarHBondContact O-CD1 3.28Å; K348-I352 WeakPolarHBondContact O-CG1 3.25Å; K348-I352 PolarHBondContact O-N 3.26Å
349	I	97.5	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-44.7	176.9	-71.8	167.6	0	0	0	109.9	C259 V262 A263 F302 T305 F317 I345 L346 I352 I353	C259-I349 HydrophobicContact CB-CG1 4.08Å; V262-I349 HydrophobicContact CB-CD1 4.35Å; V262-I349 HydrophobicContact CG1-CD1 3.91Å; A263-I349 HydrophobicContact CB-CG2 4.38Å; F302-I349 HydrophobicContact CD2-CG2 4.31Å; F302-I349 HydrophobicContact CE2-CG2 4.35Å; T305-I349 HydrophobicContact CG2-CG2 4.37Å; F317-I349 HydrophobicContact CE2-CD1 3.82Å; F317-I349 HydrophobicContact CZ-CD1 3.72Å; I345-I349 HydrophobicContact CG2-CD1 3.8Å; I345-I349 VanDerWaalsContact O-CG1 3.31Å; I345-I349 WeakPolarHBondContact O-CG1 3.46Å; I345-I349 PolarHBondContact O-N 2.98Å; L346-I349 PolarHBondContact O-N 2.99Å; I349-I352 PolarHBondContact O-N 3.42Å; I349-I353 HydrophobicContact CG2-CD1 3.78Å; I349-I353 HydrophobicContact CG2-CG1 4.38Å; I349-I353 WeakPolarHBondContact O-CG1 3.38Å; I349-I353 PolarHBondContact O-N 3.12Å
350	R	95.7	Very high	92.2	Very high	95 Å²	95	37.2 Å²	37.2	36%	0.358	19%	0.189	S	C	.	.	H	α-helix	trans	-55.1	-54.6	174.1	-176.1	-167.8	63.5	-169.7	-8.8	111.1	F302 L346 D347 K348 I352 I353 L354	F302-R350 HydrophobicContact CD1-CB 4.14Å; F302-R350 HydrophobicContact CD1-CG 3.78Å; F302-R350 HydrophobicContact CD2-CB 3.76Å; F302-R350 HydrophobicContact CD2-CG 4.23Å; F302-R350 HydrophobicContact CE1-CB 3.92Å; F302-R350 HydrophobicContact CE1-CG 3.82Å; F302-R350 HydrophobicContact CE2-CB 3.53Å; F302-R350 HydrophobicContact CE2-CG 4.26Å; F302-R350 HydrophobicContact CG-CB 4.06Å; F302-R350 HydrophobicContact CG-CG 3.99Å; F302-R350 HydrophobicContact CZ-CB 3.61Å; F302-R350 HydrophobicContact CZ-CG 4.06Å; L346-R350 WeakPolarHBondContact O-CB 3.13Å; L346-R350 PolarHBondContact O-N 2.92Å; D347-R350 WeakPolarHBondContact O-CB 3.39Å; D347-R350 PolarHBondContact O-N 3Å; K348-R350 VanDerWaalsContact C-N 3.32Å; R350-I352 VanDerWaalsContact C-N 3.26Å; R350-I352 PolarHBondContact O-N 2.93Å; R350-I353 PolarHBondContact O-N 3.32Å; R350-L354 HydrophobicContact CG-CD1 3.94Å; R350-L354 HydrophobicContact CG-CG 4.36Å; R350-L354 WeakPolarHBondContact O-CG 3.49Å; R350-L354 PolarHBondContact O-N 2.89Å
351	D	95.6	Very high	92.9	Very high	49 Å²	49	31.5 Å²	31.5	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-61.9	-35.3	-175.2	-69.5	0.9	0	0	0	112	D347 K348 A355 F385	D347-D351 WeakPolarHBondContact O-CB 3.29Å; D347-D351 PolarHBondContact O-N 3.44Å; K348-D351 PolarHBondContact O-N 2.97Å; D351-A355 PolarHBondContact O-N 3.31Å; D351-F385 HydrophobicContact CB-CD2 4.12Å; D351-F385 HydrophobicContact CB-CE2 3.98Å
352	I	98.2	Very high	93.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-70.7	-44.7	175.4	-66.8	160.5	0	0	0	111.7	C259 L260 A263 K348 I349 R350 A355 Q388 M392	C259-I352 HydrophobicContact CB-CD1 3.98Å; L260-I352 HydrophobicContact CB-CD1 4.35Å; L260-I352 HydrophobicContact CD1-CD1 4.31Å; L260-I352 HydrophobicContact CD1-CG2 4.02Å; A263-I352 HydrophobicContact CB-CB 3.75Å; A263-I352 HydrophobicContact CB-CD1 4.31Å; A263-I352 HydrophobicContact CB-CG2 3.4Å; K348-I352 WeakPolarHBondContact O-CB 3.42Å; K348-I352 WeakPolarHBondContact O-CD1 3.28Å; K348-I352 WeakPolarHBondContact O-CG1 3.25Å; K348-I352 PolarHBondContact O-N 3.26Å; I349-I352 PolarHBondContact O-N 3.42Å; R350-I352 VanDerWaalsContact C-N 3.26Å; R350-I352 PolarHBondContact O-N 2.93Å; I352-A355 WeakPolarHBondContact O-CB 3.35Å; I352-A355 PolarHBondContact O-N 3.36Å; I352-Q388 HydrophobicContact CG1-CB 4.14Å; I352-M392 HydrophobicContact CG2-CB 3.88Å; I352-M392 HydrophobicContact CG2-CG 3.69Å; I352-M392 HydrophobicContact CG2-SD 3.67Å
353	I	98	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-44	178.1	-68.5	176	0	0	0	109.9	A263 C266 H267 E298 H301 F302 I349 R350 A355 T356	A263-I353 HydrophobicContact CB-CG1 4.05Å; C266-I353 HydrophobicContact CB-CD1 4.04Å; H267-I353 HydrophobicContact CB-CG1 4.29Å; E298-I353 HydrophobicContact CB-CG2 4.39Å; E298-I353 WeakPolarHBondContact O-CG2 3.3Å; H301-I353 HydrophobicContact CB-CG2 4.03Å; F302-I353 HydrophobicContact CB-CD1 4.42Å; F302-I353 HydrophobicContact CB-CG2 4.38Å; F302-I353 HydrophobicContact CD2-CD1 4.35Å; I349-I353 HydrophobicContact CG2-CD1 3.78Å; I349-I353 HydrophobicContact CG2-CG1 4.38Å; I349-I353 WeakPolarHBondContact O-CG1 3.38Å; I349-I353 PolarHBondContact O-N 3.12Å; R350-I353 PolarHBondContact O-N 3.32Å; I353-A355 PolarHBondContact O-N 3.13Å; I353-T356 PolarHBondContact O-N 3.36Å; I353-T356 PolarHBondContact O-OG1 3.38Å
354	L	95.2	Very high	94.3	Very high	31 Å²	31	36.8 Å²	36.8	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-31.5	176.1	-65.8	178.2	0	0	0	112.4	E298 R350 T356 D357 Q360	E298-L354 HydrophobicContact CB-CD2 3.82Å; R350-L354 HydrophobicContact CG-CD1 3.94Å; R350-L354 HydrophobicContact CG-CG 4.36Å; R350-L354 WeakPolarHBondContact O-CG 3.49Å; R350-L354 PolarHBondContact O-N 2.89Å; L354-T356 PolarHBondContact O-N 3.05Å; L354-T356 VanDerWaalsContact O-N 3.16Å; L354-D357 WeakPolarHBondContact O-CB 3.37Å; L354-D357 PolarHBondContact O-N 3.29Å; L354-D357 VanDerWaalsContact O-N 3.14Å; L354-Q360 PolarHBondContact O-OE1 3.36Å
355	A	93.4	Very high	94.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.5	177.1	0	0	0	0	0	114.8	D351 I352 I353 D357	D351-A355 PolarHBondContact O-N 3.31Å; I352-A355 WeakPolarHBondContact O-CB 3.35Å; I352-A355 PolarHBondContact O-N 3.36Å; I353-A355 PolarHBondContact O-N 3.13Å; A355-D357 VanDerWaalsContact C-N 3.29Å
356	T	94.2	Very high	94.4	Very high	11 Å²	11	42 Å²	42	7%	0.067	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	170.6	63.3	0	0	0	0	112.8	H267 E298 I353 L354 L358 M392	H267-T356 HydrophobicContact CB-CG2 3.9Å; E298-T356 WeakPolarHBondContact CG-OG1 3.45Å; I353-T356 PolarHBondContact O-N 3.36Å; I353-T356 PolarHBondContact O-OG1 3.38Å; L354-T356 PolarHBondContact O-N 3.05Å; L354-T356 VanDerWaalsContact O-N 3.16Å; T356-L358 PolarHBondContact O-N 2.71Å; T356-M392 HydrophobicContact CG2-CE 3.6Å; T356-M392 HydrophobicContact CG2-CG 3.56Å; T356-M392 HydrophobicContact CG2-SD 4.19Å
357	D	95.4	Very high	94.5	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.112	22%	0.223	C	C	.	.			trans	-63.6	108.4	168.9	-177.9	-10.4	0	0	0	109.2	S295 E298 L354 A355 A359 Q360 H361	S295-D357 WeakPolarHBondContact CB-OD2 3.47Å; S295-D357 PolarHBondContact OG-OD2 2.87Å; E298-D357 HydrophobicContact CG-CB 4.03Å; L354-D357 WeakPolarHBondContact O-CB 3.37Å; L354-D357 PolarHBondContact O-N 3.29Å; L354-D357 VanDerWaalsContact O-N 3.14Å; A355-D357 VanDerWaalsContact C-N 3.29Å; D357-A359 PolarHBondContact O-N 3.16Å; D357-A359 VanDerWaalsContact O-N 3.16Å; D357-A359 VanDerWaalsContact OD1-CB 3.29Å; D357-A359 WeakPolarHBondContact OD1-CB 3.26Å; D357-A359 PolarHBondContact OD1-N 3.31Å; D357-Q360 HydrophobicContact CB-CB 4.03Å; D357-Q360 WeakPolarHBondContact O-CA 3.22Å; D357-Q360 VanDerWaalsContact O-CB 3.31Å; D357-Q360 WeakPolarHBondContact O-CB 3.46Å; D357-Q360 PolarHBondContact O-N 2.91Å; D357-H361 PolarHBondContact O-N 2.95Å
358	L	93.1	Very high	94.5	Very high	61 Å²	61	43 Å²	43	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-58.3	-31.4	-178.7	-174.7	61.7	0	0	0	112.4	T356 Q360 H361 L362 I454	T356-L358 PolarHBondContact O-N 2.71Å; L358-Q360 VanDerWaalsContact C-N 3.33Å; L358-H361 HydrophobicContact CD1-CB 4.39Å; L358-H361 PolarHBondContact O-N 3.44Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 3.4Å; L358-I454 HydrophobicContact CD1-CD1 4.29Å; L358-I454 HydrophobicContact CD1-CG2 3.71Å; L358-I454 HydrophobicContact CD2-CD1 4.12Å; L358-I454 HydrophobicContact CD2-CG1 4.16Å; L358-I454 HydrophobicContact CD2-CG2 4.14Å; L358-I454 HydrophobicContact CG-CD1 4.49Å
359	A	93.6	Very high	94.3	Very high	52 Å²	52	44.3 Å²	44.3	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-37.6	174.9	0	0	0	0	0	111.2	D357 R363	D357-A359 PolarHBondContact O-N 3.16Å; D357-A359 VanDerWaalsContact O-N 3.16Å; D357-A359 VanDerWaalsContact OD1-CB 3.29Å; D357-A359 WeakPolarHBondContact OD1-CB 3.26Å; D357-A359 PolarHBondContact OD1-N 3.31Å; A359-R363 WeakPolarHBondContact O-CG 3.49Å; A359-R363 PolarHBondContact O-N 3.11Å
360	Q	92.1	Very high	94.1	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-44.9	172.1	-178.1	172.7	-9.6	0	0	111.6	L354 D357 L358 L362 R363 I364	L354-Q360 PolarHBondContact O-OE1 3.36Å; D357-Q360 HydrophobicContact CB-CB 4.03Å; D357-Q360 WeakPolarHBondContact O-CA 3.22Å; D357-Q360 VanDerWaalsContact O-CB 3.31Å; D357-Q360 WeakPolarHBondContact O-CB 3.46Å; D357-Q360 PolarHBondContact O-N 2.91Å; L358-Q360 VanDerWaalsContact C-N 3.33Å; Q360-L362 VanDerWaalsContact C-N 3.31Å; Q360-L362 PolarHBondContact O-N 3.37Å; Q360-R363 WeakPolarHBondContact O-CB 3.35Å; Q360-R363 PolarHBondContact O-N 2.99Å; Q360-R363 VanDerWaalsContact O-N 3.11Å; Q360-I364 PolarHBondContact O-N 3.03Å; Q360-I364 VanDerWaalsContact O-N 3.16Å
361	H	91.6	Very high	94	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-55	-48.1	176.4	179	91.2	0	0	0	111.4	D357 L358 R363 I364 R365 T393 I458	D357-H361 PolarHBondContact O-N 2.95Å; L358-H361 HydrophobicContact CD1-CB 4.39Å; L358-H361 PolarHBondContact O-N 3.44Å; H361-R363 VanDerWaalsContact C-N 3.26Å; H361-R363 PolarHBondContact O-N 3.46Å; H361-I364 WeakPolarHBondContact O-CG1 3.42Å; H361-I364 PolarHBondContact O-N 3.49Å; H361-R365 WeakPolarHBondContact O-CB 3.29Å; H361-R365 PolarHBondContact O-N 2.88Å; H361-T393 HydrophobicContact CB-CG2 4.45Å; H361-T393 PolarHBondContact ND1-OG1 2.63Å; H361-I458 WeakPolarHBondContact NE2-CG1 3.31Å
362	L	93.5	Very high	93.6	Very high	80 Å²	80	45.9 Å²	45.9	42%	0.419	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-33.1	179.2	-70.8	173.9	0	0	0	112.9	L358 Q360 I454	L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 3.4Å; Q360-L362 VanDerWaalsContact C-N 3.31Å; Q360-L362 PolarHBondContact O-N 3.37Å; L362-I454 HydrophobicContact CD1-CD1 4.31Å; L362-I454 HydrophobicContact CD2-CD1 3.95Å
363	R	94.7	Very high	93.2	Very high	165 Å²	165	53.1 Å²	53.1	62%	0.623	27%	0.271	S	S	*	.	H	α-helix	trans	-67	-42.7	174.8	-72.9	-175.4	-64.8	-136.5	0.1	112.7	A359 Q360 H361 P366	A359-R363 WeakPolarHBondContact O-CG 3.49Å; A359-R363 PolarHBondContact O-N 3.11Å; Q360-R363 WeakPolarHBondContact O-CB 3.35Å; Q360-R363 PolarHBondContact O-N 2.99Å; Q360-R363 VanDerWaalsContact O-N 3.11Å; H361-R363 VanDerWaalsContact C-N 3.26Å; H361-R363 PolarHBondContact O-N 3.46Å; R363-P366 WeakPolarHBondContact O-CD 3.29Å
364	I	94	Very high	93	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-87.7	-10.9	-177.4	65.5	173	0	0	0	113.4	Q360 H361 P366 E367 I368 F385 L386	Q360-I364 PolarHBondContact O-N 3.03Å; Q360-I364 VanDerWaalsContact O-N 3.16Å; H361-I364 WeakPolarHBondContact O-CG1 3.42Å; H361-I364 PolarHBondContact O-N 3.49Å; I364-P366 VanDerWaalsContact C-CD 3.46Å; I364-E367 WeakPolarHBondContact O-CB 3.33Å; I364-E367 PolarHBondContact O-N 2.92Å; I364-I368 HydrophobicContact CD1-CD1 4.14Å; I364-I368 HydrophobicContact CG1-CD1 4Å; I364-I368 PolarHBondContact O-N 2.97Å; I364-I368 VanDerWaalsContact O-N 3.09Å; I364-F385 HydrophobicContact CD1-CE1 4.21Å; I364-L386 HydrophobicContact CB-CD2 4.11Å; I364-L386 HydrophobicContact CD1-CD2 4.34Å
365	R	92.3	Very high	92.8	Very high	70 Å²	70	57.3 Å²	57.3	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-51.4	-43.1	-178.9	179.4	176.7	170.5	-172.4	-5.5	114.2	H361 E367 I368 M369 T453	H361-R365 WeakPolarHBondContact O-CB 3.29Å; H361-R365 PolarHBondContact O-N 2.88Å; R365-E367 VanDerWaalsContact C-N 3.25Å; R365-E367 PolarHBondContact O-N 2.94Å; R365-I368 WeakPolarHBondContact O-CB 3.27Å; R365-I368 PolarHBondContact O-N 3.18Å; R365-M369 HydrophobicContact CG-CG 4.47Å; R365-M369 WeakPolarHBondContact O-CG 3.38Å; R365-M369 PolarHBondContact O-N 2.9Å; R365-T453 PolarHBondContact NH1-O 3.18Å
366	P	93.6	Very high	92.7	Very high	92 Å²	92	59.5 Å²	59.5	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-58.3	-36.7	175.8	-24.9	35.8	0	0	0	113.2	R363 I364 M369 E370	R363-P366 WeakPolarHBondContact O-CD 3.29Å; I364-P366 VanDerWaalsContact C-CD 3.46Å; P366-M369 PolarHBondContact O-N 3.47Å; P366-E370 PolarHBondContact O-N 3.36Å
367	E	95.2	Very high	92.7	Very high	78 Å²	78	64.6 Å²	64.6	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-71.3	-37.8	176.3	-62.3	176.3	-108.2	0	0	111.9	I364 R365 M369 E370 M371 R382 L386	I364-E367 WeakPolarHBondContact O-CB 3.33Å; I364-E367 PolarHBondContact O-N 2.92Å; R365-E367 VanDerWaalsContact C-N 3.25Å; R365-E367 PolarHBondContact O-N 2.94Å; E367-M369 VanDerWaalsContact C-N 3.29Å; E367-M369 PolarHBondContact O-N 3.4Å; E367-E370 PolarHBondContact O-N 3.36Å; E367-M371 WeakPolarHBondContact O-CB 3.34Å; E367-M371 PolarHBondContact O-N 3.1Å; E367-R382 IonicContact OE1-CZ 2.94Å; E367-R382 IonicContact OE1-NH2 3.92Å; E367-R382 PolarHBondContact OE1-NH2 3.46Å; E367-R382 IonicContact OE2-CZ 3.67Å; E367-R382 VanDerWaalsContact OE2-CZ 3.28Å; E367-R382 IonicContact OE2-NE 3.41Å; E367-R382 PolarHBondContact OE2-NE 3.43Å; E367-R382 IonicContact OE2-NH2 3.53Å; E367-R382 PolarHBondContact OE2-NH2 3.32Å; E367-L386 HydrophobicContact CB-CD1 3.82Å; E367-L386 HydrophobicContact CB-CD2 3.88Å
368	I	92.9	Very high	92.5	Very high	6 Å²	6	70.3 Å²	70.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-44.8	172.7	-63.2	169.7	0	0	0	109.7	I364 R365 E370 M371 A372 L386 A390	I364-I368 HydrophobicContact CD1-CD1 4.14Å; I364-I368 HydrophobicContact CG1-CD1 4Å; I364-I368 PolarHBondContact O-N 2.97Å; I364-I368 VanDerWaalsContact O-N 3.09Å; R365-I368 WeakPolarHBondContact O-CB 3.27Å; R365-I368 PolarHBondContact O-N 3.18Å; I368-E370 PolarHBondContact O-N 3.4Å; I368-M371 PolarHBondContact O-N 3.4Å; I368-A372 WeakPolarHBondContact O-CB 3.22Å; I368-A372 PolarHBondContact O-N 3.43Å; I368-L386 HydrophobicContact CG1-CB 4.18Å; I368-L386 HydrophobicContact CG1-CD2 3.94Å; I368-A390 HydrophobicContact CD1-CB 4.06Å; I368-A390 HydrophobicContact CG2-CB 4.11Å
369	M	90.6	Very high	92.5	Very high	67 Å²	67	74.2 Å²	74.2	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.7	-67.1	-61	-63.5	0	0	112	R365 P366 E367 A372 K373 Q461	R365-M369 HydrophobicContact CG-CG 4.47Å; R365-M369 WeakPolarHBondContact O-CG 3.38Å; R365-M369 PolarHBondContact O-N 2.9Å; P366-M369 PolarHBondContact O-N 3.47Å; E367-M369 VanDerWaalsContact C-N 3.29Å; E367-M369 PolarHBondContact O-N 3.4Å; M369-A372 PolarHBondContact O-N 3.23Å; M369-K373 VanDerWaalsContact O-CG 3.29Å; M369-K373 WeakPolarHBondContact O-CG 3.49Å; M369-K373 PolarHBondContact O-N 3.02Å; M369-K373 VanDerWaalsContact O-N 3.09Å; M369-Q461 HydrophobicContact CE-CG 4.5Å; M369-Q461 HydrophobicContact SD-CG 3.47Å; M369-Q461 WeakPolarHBondContact SD-CG 3.21Å
370	E	93.2	Very high	92.5	Very high	101 Å²	101	74.6 Å²	74.6	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-68.4	-42.6	178.1	-168.6	60.1	-164.9	0	0	111.5	P366 E367 I368 A372 K373 C374	P366-E370 PolarHBondContact O-N 3.36Å; E367-E370 PolarHBondContact O-N 3.36Å; I368-E370 PolarHBondContact O-N 3.4Å; E370-A372 VanDerWaalsContact C-N 3.31Å; E370-A372 PolarHBondContact O-N 3.2Å; E370-K373 PolarHBondContact O-N 3.33Å; E370-K373 VanDerWaalsContact O-N 3.17Å; E370-C374 WeakPolarHBondContact O-CB 3.38Å; E370-C374 PolarHBondContact O-N 3.4Å; E370-C374 PolarHBondContact OE1-SG 3.27Å
371	M	93.4	Very high	92.6	Very high	16 Å²	16	79.3 Å²	79.3	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-43.9	173	178.6	-172.3	68.6	0	0	111.6	E367 I368 K373 G375 F376 H383 L386 L387	E367-M371 WeakPolarHBondContact O-CB 3.34Å; E367-M371 PolarHBondContact O-N 3.1Å; I368-M371 PolarHBondContact O-N 3.4Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.09Å; M371-G375 CarbonylContact O-C 3.31Å; M371-G375 VanDerWaalsContact O-C 3.31Å; M371-G375 WeakPolarHBondContact O-CA 3.22Å; M371-G375 PolarHBondContact O-N 3.12Å; M371-F376 HydrophobicContact SD-CD2 3.98Å; M371-H383 HydrophobicContact CG-CB 4.32Å; M371-H383 VanDerWaalsContact SD-CA 3.59Å; M371-H383 HydrophobicContact SD-CB 3.72Å; M371-L386 HydrophobicContact CB-CD1 4.36Å; M371-L386 HydrophobicContact CE-CB 3.96Å; M371-L386 HydrophobicContact SD-CB 3.82Å; M371-L386 HydrophobicContact SD-CD1 4.34Å; M371-L387 HydrophobicContact CE-CB 4.19Å
372	A	88.8	Confident	92.8	Very high	61 Å²	61	83.8 Å²	83.8	50%	0.504	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-35.9	178.4	0	0	0	0	0	112.2	I368 M369 E370	I368-A372 WeakPolarHBondContact O-CB 3.22Å; I368-A372 PolarHBondContact O-N 3.43Å; M369-A372 PolarHBondContact O-N 3.23Å; E370-A372 VanDerWaalsContact C-N 3.31Å; E370-A372 PolarHBondContact O-N 3.2Å
373	K	89.8	Confident	92.9	Very high	155 Å²	155	81.3 Å²	81.3	67%	0.674	40%	0.402	S	S	*	.	H	α-helix	trans	-73.7	-46.9	176.5	-71.2	171.2	-173.9	175.2	0	113	M369 E370 M371 G375	M369-K373 VanDerWaalsContact O-CG 3.29Å; M369-K373 WeakPolarHBondContact O-CG 3.49Å; M369-K373 PolarHBondContact O-N 3.02Å; M369-K373 VanDerWaalsContact O-N 3.09Å; E370-K373 PolarHBondContact O-N 3.33Å; E370-K373 VanDerWaalsContact O-N 3.17Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.09Å; K373-G375 VanDerWaalsContact C-N 3.3Å
374	C	91.8	Very high	93	Very high	88 Å²	88	73.7 Å²	73.7	60%	0.595	37%	0.374	S	S	*	.	H	α-helix	trans	-78.4	-15.2	-177.1	-66.5	0	0	0	0	113.6	E370	E370-C374 WeakPolarHBondContact O-CB 3.38Å; E370-C374 PolarHBondContact O-N 3.4Å; E370-C374 PolarHBondContact OE1-SG 3.27Å
375	G	91	Very high	93.1	Very high	31 Å²	31	74.6 Å²	74.6	32%	0.32	38%	0.378	S	S	.	.			trans	94	140.1	-176	0	0	0	0	0	112.9	M371 K373 H383	M371-G375 CarbonylContact O-C 3.31Å; M371-G375 VanDerWaalsContact O-C 3.31Å; M371-G375 WeakPolarHBondContact O-CA 3.22Å; M371-G375 PolarHBondContact O-N 3.12Å; K373-G375 VanDerWaalsContact C-N 3.3Å; G375-H383 PolarHBondContact O-CE1 3.47Å
376	F	92.4	Very high	93.3	Very high	46 Å²	46	71.5 Å²	71.5	20%	0.202	37%	0.366	C	S	.	.			trans	-67.6	138.9	176.4	175.6	-94.3	0	0	0	111.9	Q251 M371 R378 H383 V384 L387	Q251-F376 HydrophobicContact CB-CD1 3.93Å; Q251-F376 HydrophobicContact CB-CE1 3.54Å; Q251-F376 HydrophobicContact CB-CZ 4.09Å; Q251-F376 HydrophobicContact CG-CD1 3.64Å; Q251-F376 HydrophobicContact CG-CE1 3.79Å; Q251-F376 HydrophobicContact CG-CG 4.44Å; M371-F376 HydrophobicContact SD-CD2 3.98Å; F376-R378 HydrophobicContact CE1-CB 3.84Å; F376-R378 HydrophobicContact CE1-CG 4.43Å; F376-R378 HydrophobicContact CZ-CB 4.5Å; F376-H383 HydrophobicContact CD2-CB 3.95Å; F376-H383 HydrophobicContact CE2-CB 3.96Å; F376-V384 HydrophobicContact CE2-CG2 4.41Å; F376-V384 HydrophobicContact CZ-CG2 4.05Å; F376-L387 HydrophobicContact CD2-CB 4.23Å; F376-L387 HydrophobicContact CD2-CD2 3.9Å; F376-L387 HydrophobicContact CE2-CB 3.9Å; F376-L387 HydrophobicContact CE2-CD2 3.54Å; F376-L387 HydrophobicContact CE2-CG 4.36Å; F376-L387 HydrophobicContact CZ-CD2 3.92Å
377	K	94.2	Very high	93.3	Very high	119 Å²	119	67.4 Å²	67.4	52%	0.517	34%	0.339	S	S	.	.			trans	-124.7	114.9	178.3	-67.2	-176.4	-178.3	178.2	0	108.7	D379 N380 H383	K377-D379 VanDerWaalsContact C-N 3.31Å; K377-D379 PolarHBondContact O-N 3.41Å; K377-N380 HydrophobicContact CB-CB 3.97Å; K377-N380 PolarHBondContact O-N 3.09Å; K377-H383 PolarHBondContact N-ND1 2.93Å; K377-H383 VanDerWaalsContact N-ND1 3.14Å; K377-H383 WeakPolarHBondContact O-CB 3.31Å
378	R	91.4	Very high	93.4	Very high	141 Å²	141	64 Å²	64	53%	0.532	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.3	-172.2	-174.6	174.2	-176.3	-143.6	3	113.6	Q251 F376 N380	Q251-R378 WeakPolarHBondContact O-CG 3.29Å; F376-R378 HydrophobicContact CE1-CB 3.84Å; F376-R378 HydrophobicContact CE1-CG 4.43Å; F376-R378 HydrophobicContact CZ-CB 4.5Å; R378-N380 VanDerWaalsContact C-N 3.27Å
379	D	91.7	Very high	93.5	Very high	143 Å²	143	63.8 Å²	63.8	77%	0.765	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.9	177.1	59.7	-42.9	0	0	0	113.2	K377	K377-D379 VanDerWaalsContact C-N 3.31Å; K377-D379 PolarHBondContact O-N 3.41Å
380	N	95.1	Very high	93.7	Very high	59 Å²	59	60.8 Å²	60.8	32%	0.316	31%	0.309	S	S	.	.			trans	-99.8	107.7	176.1	-175.2	-22.3	0	0	0	110.4	K377 R378 R382 H383 V384	K377-N380 HydrophobicContact CB-CB 3.97Å; K377-N380 PolarHBondContact O-N 3.09Å; R378-N380 VanDerWaalsContact C-N 3.27Å; N380-R382 PolarHBondContact O-N 2.98Å; N380-R382 WeakPolarHBondContact OD1-CB 3.4Å; N380-R382 PolarHBondContact OD1-N 2.97Å; N380-H383 HydrophobicContact CB-CB 4.12Å; N380-H383 VanDerWaalsContact CG-CD2 3.49Å; N380-H383 PolarHBondContact ND2-CD2 3.02Å; N380-H383 PolarHBondContact ND2-NE2 3.02Å; N380-H383 WeakPolarHBondContact O-CB 3.42Å; N380-H383 PolarHBondContact O-N 3.33Å; N380-H383 PolarHBondContact OD1-N 2.98Å; N380-V384 PolarHBondContact O-N 2.96Å; N380-V384 VanDerWaalsContact O-N 3.1Å
381	D	93.7	Very high	93.8	Very high	132 Å²	132	56 Å²	56	71%	0.706	29%	0.286	S	S	*	.	H	α-helix	trans	-56.5	-33.4	-180	-69.1	-32.4	0	0	0	113.1	V384 F385	D381-V384 PolarHBondContact O-N 3.15Å; D381-F385 WeakPolarHBondContact O-CB 3.44Å; D381-F385 PolarHBondContact O-N 3.41Å
382	R	96	Very high	94	Very high	97 Å²	97	55.2 Å²	55.2	37%	0.366	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.5	-175.6	58.9	173.1	-179.3	-0.5	111.5	E367 N380 V384 F385 L386	E367-R382 IonicContact OE1-CZ 2.94Å; E367-R382 IonicContact OE1-NH2 3.92Å; E367-R382 PolarHBondContact OE1-NH2 3.46Å; E367-R382 IonicContact OE2-CZ 3.67Å; E367-R382 VanDerWaalsContact OE2-CZ 3.28Å; E367-R382 IonicContact OE2-NE 3.41Å; E367-R382 PolarHBondContact OE2-NE 3.43Å; E367-R382 IonicContact OE2-NH2 3.53Å; E367-R382 PolarHBondContact OE2-NH2 3.32Å; N380-R382 PolarHBondContact O-N 2.98Å; N380-R382 WeakPolarHBondContact OD1-CB 3.4Å; N380-R382 PolarHBondContact OD1-N 2.97Å; R382-V384 VanDerWaalsContact C-N 3.35Å; R382-F385 VanDerWaalsContact NH1-CD1 3.31Å; R382-F385 PolarHBondContact O-N 3.18Å; R382-L386 HydrophobicContact CG-CD1 4.1Å; R382-L386 HydrophobicContact CG-CG 4.41Å; R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.34Å
383	H	96.1	Very high	94.3	Very high	28 Å²	28	52.5 Å²	52.5	13%	0.13	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-40.9	176.3	-75.7	-144.5	0	0	0	110.8	M371 G375 F376 K377 N380 L386 L387	M371-H383 HydrophobicContact CG-CB 4.32Å; M371-H383 VanDerWaalsContact SD-CA 3.59Å; M371-H383 HydrophobicContact SD-CB 3.72Å; G375-H383 PolarHBondContact O-CE1 3.47Å; F376-H383 HydrophobicContact CD2-CB 3.95Å; F376-H383 HydrophobicContact CE2-CB 3.96Å; K377-H383 PolarHBondContact N-ND1 2.93Å; K377-H383 VanDerWaalsContact N-ND1 3.14Å; K377-H383 WeakPolarHBondContact O-CB 3.31Å; N380-H383 HydrophobicContact CB-CB 4.12Å; N380-H383 VanDerWaalsContact CG-CD2 3.49Å; N380-H383 PolarHBondContact ND2-CD2 3.02Å; N380-H383 PolarHBondContact ND2-NE2 3.02Å; N380-H383 WeakPolarHBondContact O-CB 3.42Å; N380-H383 PolarHBondContact O-N 3.33Å; N380-H383 PolarHBondContact OD1-N 2.98Å; H383-L386 PolarHBondContact O-N 3.14Å; H383-L387 WeakPolarHBondContact O-CB 3.3Å; H383-L387 PolarHBondContact O-N 2.66Å
384	V	95.4	Very high	94.5	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-47.2	175.7	178.7	0	0	0	0	110.7	F376 N380 D381 R382 L387 Q388	F376-V384 HydrophobicContact CE2-CG2 4.41Å; F376-V384 HydrophobicContact CZ-CG2 4.05Å; N380-V384 PolarHBondContact O-N 2.96Å; N380-V384 VanDerWaalsContact O-N 3.1Å; D381-V384 PolarHBondContact O-N 3.15Å; R382-V384 VanDerWaalsContact C-N 3.35Å; V384-L387 PolarHBondContact O-N 2.82Å; V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.31Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 2.91Å
385	F	96.3	Very high	94.8	Very high	32 Å²	32	40.9 Å²	40.9	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-48.3	175.4	168.4	-93.6	0	0	0	112.5	D351 I364 D381 R382 L387 Q388 S389	D351-F385 HydrophobicContact CB-CD2 4.12Å; D351-F385 HydrophobicContact CB-CE2 3.98Å; I364-F385 HydrophobicContact CD1-CE1 4.21Å; D381-F385 WeakPolarHBondContact O-CB 3.44Å; D381-F385 PolarHBondContact O-N 3.41Å; R382-F385 VanDerWaalsContact NH1-CD1 3.31Å; R382-F385 PolarHBondContact O-N 3.18Å; F385-L387 PolarHBondContact O-N 2.62Å; F385-Q388 PolarHBondContact O-N 3.35Å; F385-S389 WeakPolarHBondContact O-CB 3.49Å; F385-S389 PolarHBondContact O-N 3.17Å; F385-S389 PolarHBondContact O-OG 3.41Å
386	L	95.7	Very high	95	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-41.3	179.7	-70.2	171.1	0	0	0	111.6	I364 E367 I368 M371 R382 H383 S389 A390	I364-L386 HydrophobicContact CB-CD2 4.11Å; I364-L386 HydrophobicContact CD1-CD2 4.34Å; E367-L386 HydrophobicContact CB-CD1 3.82Å; E367-L386 HydrophobicContact CB-CD2 3.88Å; I368-L386 HydrophobicContact CG1-CB 4.18Å; I368-L386 HydrophobicContact CG1-CD2 3.94Å; M371-L386 HydrophobicContact CB-CD1 4.36Å; M371-L386 HydrophobicContact CE-CB 3.96Å; M371-L386 HydrophobicContact SD-CB 3.82Å; M371-L386 HydrophobicContact SD-CD1 4.34Å; R382-L386 HydrophobicContact CG-CD1 4.1Å; R382-L386 HydrophobicContact CG-CG 4.41Å; R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.34Å; H383-L386 PolarHBondContact O-N 3.14Å; L386-S389 PolarHBondContact O-N 3.09Å; L386-A390 WeakPolarHBondContact O-CB 3.38Å; L386-A390 PolarHBondContact O-N 3Å
387	L	95	Very high	95.2	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-46.8	176.3	177.4	60.2	0	0	0	111.5	Q251 L252 M371 F376 H383 V384 F385 S389 A390 L391 F463	Q251-L387 HydrophobicContact CB-CD2 4.07Å; L252-L387 HydrophobicContact CD2-CD2 3.87Å; L252-L387 HydrophobicContact CD2-CG 4.36Å; L252-L387 HydrophobicContact CG-CD2 4.38Å; M371-L387 HydrophobicContact CE-CB 4.19Å; F376-L387 HydrophobicContact CD2-CB 4.23Å; F376-L387 HydrophobicContact CD2-CD2 3.9Å; F376-L387 HydrophobicContact CE2-CB 3.9Å; F376-L387 HydrophobicContact CE2-CD2 3.54Å; F376-L387 HydrophobicContact CE2-CG 4.36Å; F376-L387 HydrophobicContact CZ-CD2 3.92Å; H383-L387 WeakPolarHBondContact O-CB 3.3Å; H383-L387 PolarHBondContact O-N 2.66Å; V384-L387 PolarHBondContact O-N 2.82Å; F385-L387 PolarHBondContact O-N 2.62Å; L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.31Å; L387-A390 PolarHBondContact O-N 2.96Å; L387-L391 HydrophobicContact CD1-CD1 4.01Å; L387-L391 HydrophobicContact CD1-CG 4.05Å; L387-L391 HydrophobicContact CG-CD1 3.98Å; L387-L391 HydrophobicContact CG-CG 4.43Å; L387-L391 WeakPolarHBondContact O-CB 3.16Å; L387-L391 VanDerWaalsContact O-CG 3.22Å; L387-L391 WeakPolarHBondContact O-CG 3.28Å; L387-L391 PolarHBondContact O-N 2.84Å; L387-F463 HydrophobicContact CD1-CE2 4.11Å; L387-F463 HydrophobicContact CD1-CZ 3.85Å
388	Q	96.4	Very high	95.2	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-41.5	177.2	-73.7	-178.2	-62.7	0	0	111.6	L252 D256 I352 V384 F385 L391 M392	L252-Q388 HydrophobicContact CD2-CG 4.06Å; D256-Q388 PolarHBondContact O-NE2 3.12Å; I352-Q388 HydrophobicContact CG1-CB 4.14Å; V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.31Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 2.91Å; F385-Q388 PolarHBondContact O-N 3.35Å; Q388-L391 PolarHBondContact O-N 3.46Å; Q388-M392 WeakPolarHBondContact O-CB 3.36Å; Q388-M392 PolarHBondContact O-N 3.46Å
389	S	96	Very high	95.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-48.6	176	-58.4	0	0	0	0	111.4	F385 L386 L387 L391 M392 T393	F385-S389 WeakPolarHBondContact O-CB 3.49Å; F385-S389 PolarHBondContact O-N 3.17Å; F385-S389 PolarHBondContact O-OG 3.41Å; L386-S389 PolarHBondContact O-N 3.09Å; L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.31Å; S389-L391 PolarHBondContact O-N 2.97Å; S389-M392 PolarHBondContact O-N 3Å; S389-T393 PolarHBondContact O-N 3.38Å; S389-T393 PolarHBondContact O-OG1 2.83Å
390	A	94.5	Very high	95.7	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177.8	0	0	0	0	0	112.3	I368 L386 L387 A394	I368-A390 HydrophobicContact CD1-CB 4.06Å; I368-A390 HydrophobicContact CG2-CB 4.11Å; L386-A390 WeakPolarHBondContact O-CB 3.38Å; L386-A390 PolarHBondContact O-N 3Å; L387-A390 PolarHBondContact O-N 2.96Å; A390-A394 WeakPolarHBondContact O-CB 3.34Å; A390-A394 PolarHBondContact O-N 3.24Å
391	L	95.5	Very high	95.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-42.8	177.2	-72.5	174.7	0	0	0	111.7	I241 V248 L252 L260 L387 Q388 S389 A394 C395 I462 F463 F466	I241-L391 HydrophobicContact CD1-CD2 4.24Å; I241-L391 HydrophobicContact CG2-CD2 4.03Å; V248-L391 HydrophobicContact CG1-CD1 3.81Å; V248-L391 HydrophobicContact CG1-CD2 4.48Å; L252-L391 HydrophobicContact CD1-CD1 3.92Å; L260-L391 HydrophobicContact CD2-CB 4.17Å; L260-L391 HydrophobicContact CD2-CD1 4.04Å; L387-L391 HydrophobicContact CD1-CD1 4.01Å; L387-L391 HydrophobicContact CD1-CG 4.05Å; L387-L391 HydrophobicContact CG-CD1 3.98Å; L387-L391 HydrophobicContact CG-CG 4.43Å; L387-L391 WeakPolarHBondContact O-CB 3.16Å; L387-L391 VanDerWaalsContact O-CG 3.22Å; L387-L391 WeakPolarHBondContact O-CG 3.28Å; L387-L391 PolarHBondContact O-N 2.84Å; Q388-L391 PolarHBondContact O-N 3.46Å; S389-L391 PolarHBondContact O-N 2.97Å; L391-A394 PolarHBondContact O-N 3.28Å; L391-C395 PolarHBondContact O-N 3.1Å; L391-C395 PolarHBondContact O-SG 2.64Å; L391-I462 HydrophobicContact CD2-CG2 3.87Å; L391-F463 HydrophobicContact CD2-CE2 4.21Å; L391-F466 HydrophobicContact CD2-CZ 4.39Å
392	M	97.3	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.6	-51.4	176.8	-176.5	64.2	-130.4	0	0	110.9	V234 L260 H267 I352 T356 Q388 S389 A394 C395 D396	V234-M392 HydrophobicContact CG1-CE 3.47Å; V234-M392 VanDerWaalsContact CG1-CE 3.47Å; L260-M392 HydrophobicContact CD1-CB 4.36Å; H267-M392 HydrophobicContact CB-CE 4.16Å; I352-M392 HydrophobicContact CG2-CB 3.88Å; I352-M392 HydrophobicContact CG2-CG 3.69Å; I352-M392 HydrophobicContact CG2-SD 3.67Å; T356-M392 HydrophobicContact CG2-CE 3.6Å; T356-M392 HydrophobicContact CG2-CG 3.56Å; T356-M392 HydrophobicContact CG2-SD 4.19Å; Q388-M392 WeakPolarHBondContact O-CB 3.36Å; Q388-M392 PolarHBondContact O-N 3.46Å; S389-M392 PolarHBondContact O-N 3Å; M392-A394 VanDerWaalsContact C-N 3.26Å; M392-A394 PolarHBondContact O-N 3.21Å; M392-C395 WeakPolarHBondContact O-CB 3.43Å; M392-C395 PolarHBondContact O-N 3.04Å; M392-D396 HydrophobicContact CE-CB 4.32Å; M392-D396 PolarHBondContact O-N 3.17Å
393	T	94.9	Very high	95.6	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-37	177.8	-42.5	0	0	0	0	111.6	H361 S389 D396 L397 I458	H361-T393 HydrophobicContact CB-CG2 4.45Å; H361-T393 PolarHBondContact ND1-OG1 2.63Å; S389-T393 PolarHBondContact O-N 3.38Å; S389-T393 PolarHBondContact O-OG1 2.83Å; T393-D396 PolarHBondContact O-N 2.95Å; T393-L397 HydrophobicContact CG2-CD1 4.39Å; T393-L397 VanDerWaalsContact O-CG 3.28Å; T393-L397 WeakPolarHBondContact O-CG 3Å; T393-L397 PolarHBondContact O-N 3.22Å; T393-L397 VanDerWaalsContact O-N 3.12Å; T393-I458 HydrophobicContact CG2-CD1 3.63Å
394	A	94.4	Very high	95.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67	-35.7	175.2	0	0	0	0	0	113.3	A390 L391 M392 I458 I462 F466	A390-A394 WeakPolarHBondContact O-CB 3.34Å; A390-A394 PolarHBondContact O-N 3.24Å; L391-A394 PolarHBondContact O-N 3.28Å; M392-A394 VanDerWaalsContact C-N 3.26Å; M392-A394 PolarHBondContact O-N 3.21Å; A394-I458 HydrophobicContact CB-CG2 4.07Å; A394-I462 HydrophobicContact CB-CD1 3.34Å; A394-F466 HydrophobicContact CB-CE1 4.44Å
395	C	96.8	Very high	95.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.2	-40.9	174.2	-63	0	0	0	0	111.4	V234 F237 C238 L391 M392 L397 A398	V234-C395 HydrophobicContact CG1-CB 3.69Å; F237-C395 HydrophobicContact CB-CB 4.48Å; F237-C395 HydrophobicContact CD1-CB 4.2Å; C238-C395 VanDerWaalsContact CA-SG 3.53Å; L391-C395 PolarHBondContact O-N 3.1Å; L391-C395 PolarHBondContact O-SG 2.64Å; M392-C395 WeakPolarHBondContact O-CB 3.43Å; M392-C395 PolarHBondContact O-N 3.04Å; C395-L397 PolarHBondContact O-N 3.4Å; C395-A398 WeakPolarHBondContact O-CB 3.27Å; C395-A398 PolarHBondContact O-N 3.31Å
396	D	97	Very high	95.4	Very high	29 Å²	29	12.5 Å²	12.5	16%	0.155	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-32.6	179.5	-169	32.9	0	0	0	111.9	H230 H267 M392 T393 A398	H230-D396 IonicContact CE1-OD1 3.66Å; H230-D396 PolarHBondContact CE1-OD1 2.76Å; H230-D396 IonicContact NE2-OD1 2.75Å; H230-D396 PolarHBondContact NE2-OD1 3.31Å; H267-D396 IonicContact NE2-OD1 2.69Å; H267-D396 PolarHBondContact NE2-OD1 2.85Å; M392-D396 HydrophobicContact CE-CB 4.32Å; M392-D396 PolarHBondContact O-N 3.17Å; T393-D396 PolarHBondContact O-N 2.95Å; D396-A398 VanDerWaalsContact C-N 3.28Å; D396-A398 PolarHBondContact O-N 2.97Å
397	L	95.2	Very high	95.4	Very high	18 Å²	18	12.3 Å²	12.3	9%	0.094	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	14	174.3	-59.2	-179	0	0	0	114.3	T393 C395 D399 Q400 F450 I454 A455 I458	T393-L397 HydrophobicContact CG2-CD1 4.39Å; T393-L397 VanDerWaalsContact O-CG 3.28Å; T393-L397 WeakPolarHBondContact O-CG 3Å; T393-L397 PolarHBondContact O-N 3.22Å; T393-L397 VanDerWaalsContact O-N 3.12Å; C395-L397 PolarHBondContact O-N 3.4Å; L397-D399 PolarHBondContact O-N 3.29Å; L397-D399 VanDerWaalsContact O-N 3.17Å; L397-Q400 HydrophobicContact CB-CG 4.49Å; L397-Q400 WeakPolarHBondContact O-CB 3.48Å; L397-Q400 PolarHBondContact O-N 3.38Å; L397-F450 HydrophobicContact CD2-CE1 4.15Å; L397-F450 HydrophobicContact CD2-CZ 3.53Å; L397-I454 HydrophobicContact CD1-CG2 3.95Å; L397-A455 HydrophobicContact CD1-CB 4.31Å; L397-I458 HydrophobicContact CD1-CD1 3.61Å
398	A	95.7	Very high	95.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-58.3	-31.7	-174.3	0	0	0	0	0	114.1	T233 F237 C395 D396 Q400 V401 K402	T233-A398 HydrophobicContact CG2-CB 4.37Å; F237-A398 HydrophobicContact CB-CB 3.65Å; F237-A398 HydrophobicContact CD1-CB 4.21Å; F237-A398 HydrophobicContact CD2-CB 3.51Å; F237-A398 HydrophobicContact CE2-CB 4.17Å; F237-A398 HydrophobicContact CG-CB 3.53Å; C395-A398 WeakPolarHBondContact O-CB 3.27Å; C395-A398 PolarHBondContact O-N 3.31Å; D396-A398 VanDerWaalsContact C-N 3.28Å; D396-A398 PolarHBondContact O-N 2.97Å; A398-Q400 PolarHBondContact O-N 3.45Å; A398-V401 WeakPolarHBondContact O-CG2 3.16Å; A398-V401 PolarHBondContact O-N 2.86Å; A398-V401 VanDerWaalsContact O-N 3.15Å; A398-K402 WeakPolarHBondContact O-CG 3.5Å
399	D	97	Very high	95.4	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24.4	178.7	-85.1	-39.5	0	0	0	112.9	R178 Y225 L397 V401 K402 S407 A410	R178-D399 IonicContact CZ-OD2 2.77Å; R178-D399 IonicContact NE-OD1 3.2Å; R178-D399 IonicContact NE-OD2 3.6Å; R178-D399 PolarHBondContact NE-OD2 3.16Å; R178-D399 IonicContact NH2-OD2 3.29Å; R178-D399 PolarHBondContact NH2-OD2 2.94Å; Y225-D399 PolarHBondContact OH-OD2 3.15Å; L397-D399 PolarHBondContact O-N 3.29Å; L397-D399 VanDerWaalsContact O-N 3.17Å; D399-V401 PolarHBondContact O-N 2.98Å; D399-K402 PolarHBondContact O-N 3.22Å; D399-S407 WeakPolarHBondContact O-CA 3.28Å; D399-S407 WeakPolarHBondContact O-CB 3.45Å; D399-S407 PolarHBondContact O-OG 3.44Å; D399-A410 HydrophobicContact CB-CB 3.72Å
400	Q	95.3	Very high	95.4	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.047	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-68.9	-18.2	177.2	-56.7	-54.2	-37.6	0	0	113.2	L397 A398 F450 L451 A455 N476	L397-Q400 HydrophobicContact CB-CG 4.49Å; L397-Q400 WeakPolarHBondContact O-CB 3.48Å; L397-Q400 PolarHBondContact O-N 3.38Å; A398-Q400 PolarHBondContact O-N 3.45Å; Q400-F450 HydrophobicContact CG-CE1 3.99Å; Q400-L451 HydrophobicContact CB-CD2 4.26Å; Q400-A455 HydrophobicContact CB-CB 4.41Å; Q400-A455 HydrophobicContact CG-CB 4.29Å; Q400-N476 PolarHBondContact O-ND2 3.23Å
401	V	93.3	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-105.7	-6.6	-177.1	-48	0	0	0	0	112.9	F237 A398 D399 L459 V469 S472 A473	F237-V401 HydrophobicContact CD2-CG2 4.4Å; F237-V401 HydrophobicContact CE2-CG2 3.5Å; F237-V401 VanDerWaalsContact CE2-CG2 3.5Å; F237-V401 HydrophobicContact CZ-CG2 4.05Å; A398-V401 WeakPolarHBondContact O-CG2 3.16Å; A398-V401 PolarHBondContact O-N 2.86Å; A398-V401 VanDerWaalsContact O-N 3.15Å; D399-V401 PolarHBondContact O-N 2.98Å; V401-L459 HydrophobicContact CG1-CD1 3.41Å; V401-L459 VanDerWaalsContact CG1-CD1 3.41Å; V401-L459 HydrophobicContact CG1-CD2 4.07Å; V401-L459 HydrophobicContact CG1-CG 4.39Å; V401-V469 HydrophobicContact CB-CG1 3.85Å; V401-V469 HydrophobicContact CG1-CG1 3.52Å; V401-V469 HydrophobicContact CG2-CG1 3.98Å; V401-S472 PolarHBondContact O-OG 2.87Å; V401-A473 HydrophobicContact CG1-CB 4.29Å
402	K	95	Very high	95.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-68.5	160.6	176.6	-59.1	-56.2	176.2	179.1	0	110	F173 Y175 A398 D399 W404 K406 N476	F173-K402 PolarHBondContact O-NZ 3.48Å; Y175-K402 WeakPolarHBondContact O-CD 3.44Å; Y175-K402 WeakPolarHBondContact O-CE 3.44Å; Y175-K402 PolarHBondContact O-NZ 3.37Å; A398-K402 WeakPolarHBondContact O-CG 3.5Å; D399-K402 PolarHBondContact O-N 3.22Å; K402-W404 PolarHBondContact O-N 3.32Å; K402-K406 HydrophobicContact CB-CB 4.14Å; K402-N476 PolarHBondContact O-ND2 3.01Å
403	P	94.1	Very high	95.5	Very high	56 Å²	56	20.1 Å²	20.1	36%	0.364	11%	0.106	S	C	.	.			trans	-49.3	144.3	175.7	-28.3	35.5	0	0	0	111.6	F174 T405 K406 S407	F174-P403 HydrophobicContact CB-CG 4.32Å; F174-P403 WeakPolarHBondContact O-CD 3.35Å; F174-P403 VanDerWaalsContact O-CG 3.31Å; F174-P403 WeakPolarHBondContact O-CG 3.43Å; P403-T405 VanDerWaalsContact C-N 3.27Å; P403-T405 PolarHBondContact O-N 3.1Å; P403-T405 VanDerWaalsContact O-N 3.08Å; P403-K406 WeakPolarHBondContact O-CA 3.41Å; P403-K406 WeakPolarHBondContact O-CB 3.4Å; P403-K406 PolarHBondContact O-N 3.37Å; P403-S407 PolarHBondContact O-N 3.5Å
404	W	94.4	Very high	95.6	Very high	6 Å²	6	20.9 Å²	20.9	2%	0.023	11%	0.111	C	C	.	.	H	α-helix	trans	-41.7	-50.4	-174.3	169.9	-119	0	0	0	114.1	K402 K406 S407 K408 F475 N476 C479 Y480 M483 V512 L513	K402-W404 PolarHBondContact O-N 3.32Å; W404-K406 PolarHBondContact O-N 3.44Å; W404-S407 PolarHBondContact O-N 3.06Å; W404-K408 HydrophobicContact CD2-CD 4.26Å; W404-K408 HydrophobicContact CH2-CB 4.4Å; W404-K408 HydrophobicContact CZ2-CD 3.95Å; W404-K408 HydrophobicContact CZ3-CB 4.47Å; W404-K408 WeakPolarHBondContact O-CG 3.5Å; W404-K408 PolarHBondContact O-N 3.45Å; W404-F475 HydrophobicContact CB-CE1 4.03Å; W404-N476 VanDerWaalsContact CA-OD1 3.26Å; W404-N476 WeakPolarHBondContact CA-OD1 3.48Å; W404-N476 HydrophobicContact CE3-CB 4.28Å; W404-N476 PolarHBondContact N-OD1 3.3Å; W404-C479 HydrophobicContact CD2-CB 3.46Å; W404-C479 VanDerWaalsContact CD2-CB 3.46Å; W404-C479 HydrophobicContact CE3-CB 3.4Å; W404-C479 HydrophobicContact CG-CB 4.15Å; W404-C479 HydrophobicContact CH2-CB 3.71Å; W404-C479 HydrophobicContact CZ2-CB 3.76Å; W404-C479 HydrophobicContact CZ3-CB 3.53Å; W404-Y480 AromaticContact CH2-CD1 3.53Å; W404-Y480 HydrophobicContact CH2-CD1 3.53Å; W404-Y480 HydrophobicContact CH2-CD2 4.13Å; W404-Y480 AromaticContact CH2-CE1 3.63Å; W404-Y480 HydrophobicContact CH2-CE1 3.63Å; W404-Y480 HydrophobicContact CH2-CE2 4.25Å; W404-Y480 AromaticContact CH2-CG 3.78Å; W404-Y480 HydrophobicContact CH2-CG 3.78Å; W404-Y480 AromaticContact CZ3-CD1 3.9Å; W404-Y480 HydrophobicContact CZ3-CD1 3.9Å; W404-Y480 AromaticContact CZ3-CD2 3.65Å; W404-Y480 HydrophobicContact CZ3-CD2 3.65Å; W404-Y480 AromaticContact CZ3-CE1 3.84Å; W404-Y480 HydrophobicContact CZ3-CE1 3.84Å; W404-Y480 AromaticContact CZ3-CE2 3.62Å; W404-Y480 HydrophobicContact CZ3-CE2 3.62Å; W404-Y480 AromaticContact CZ3-CG 3.79Å; W404-Y480 HydrophobicContact CZ3-CG 3.79Å; W404-Y480 AromaticContact CZ3-CZ 3.7Å; W404-M483 HydrophobicContact CH2-CE 4.43Å; W404-M483 HydrophobicContact CZ2-CE 3.69Å; W404-M483 HydrophobicContact CZ2-SD 4.32Å; W404-V512 HydrophobicContact CZ2-CG1 4.35Å; W404-L513 HydrophobicContact CG-CD2 4.41Å
405	T	94.1	Very high	95.8	Very high	53 Å²	53	21 Å²	21	33%	0.325	11%	0.112	S	C	.	.	H	α-helix	trans	-56.2	-37.5	179.8	-55	0	0	0	0	112.9	P403 K408 M409 E509	P403-T405 VanDerWaalsContact C-N 3.27Å; P403-T405 PolarHBondContact O-N 3.1Å; P403-T405 VanDerWaalsContact O-N 3.08Å; T405-K408 WeakPolarHBondContact O-CG 3.5Å; T405-M409 HydrophobicContact CG2-SD 4.48Å; T405-M409 WeakPolarHBondContact O-CG 3.49Å; T405-M409 PolarHBondContact O-N 3.46Å; T405-E509 VanDerWaalsContact CB-OE1 3.27Å; T405-E509 WeakPolarHBondContact CB-OE1 3.31Å; T405-E509 VanDerWaalsContact CG2-OE1 3.27Å; T405-E509 WeakPolarHBondContact CG2-OE1 3.49Å; T405-E509 PolarHBondContact OG1-OE1 3.25Å
406	K	95.3	Very high	95.8	Very high	62 Å²	62	26.7 Å²	26.7	27%	0.27	14%	0.136	S	C	.	.	H	α-helix	trans	-82.7	-41.3	-179.1	-55.3	-66.7	167.1	167.2	0	111.3	E179 K402 P403 W404 K408 M409 A410	E179-K406 WeakPolarHBondContact OE1-CE 3.27Å; E179-K406 IonicContact OE1-NZ 2.71Å; E179-K406 PolarHBondContact OE1-NZ 3.05Å; K402-K406 HydrophobicContact CB-CB 4.14Å; P403-K406 WeakPolarHBondContact O-CA 3.41Å; P403-K406 WeakPolarHBondContact O-CB 3.4Å; P403-K406 PolarHBondContact O-N 3.37Å; W404-K406 PolarHBondContact O-N 3.44Å; K406-K408 PolarHBondContact O-N 3.05Å; K406-M409 PolarHBondContact O-N 3.32Å; K406-A410 PolarHBondContact O-N 3.43Å
407	S	96	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-48.4	177.4	178	0	0	0	0	111.7	D399 P403 W404 M409 A410 A411 N476	D399-S407 WeakPolarHBondContact O-CA 3.28Å; D399-S407 WeakPolarHBondContact O-CB 3.45Å; D399-S407 PolarHBondContact O-OG 3.44Å; P403-S407 PolarHBondContact O-N 3.5Å; W404-S407 PolarHBondContact O-N 3.06Å; S407-M409 PolarHBondContact O-N 3.21Å; S407-A410 WeakPolarHBondContact O-CB 3.06Å; S407-A410 PolarHBondContact O-N 2.84Å; S407-A411 PolarHBondContact O-N 3.48Å; S407-N476 WeakPolarHBondContact CB-ND2 3.44Å; S407-N476 PolarHBondContact OG-ND2 3.4Å
408	K	95.5	Very high	95.9	Very high	4 Å²	4	27 Å²	27	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-30.8	177.4	75.2	-168.4	179	88.5	0	113.8	W404 T405 K406 A411 A412 L503 E509	W404-K408 HydrophobicContact CD2-CD 4.26Å; W404-K408 HydrophobicContact CH2-CB 4.4Å; W404-K408 HydrophobicContact CZ2-CD 3.95Å; W404-K408 HydrophobicContact CZ3-CB 4.47Å; W404-K408 WeakPolarHBondContact O-CG 3.5Å; W404-K408 PolarHBondContact O-N 3.45Å; T405-K408 WeakPolarHBondContact O-CG 3.5Å; K406-K408 PolarHBondContact O-N 3.05Å; K408-A411 PolarHBondContact O-N 2.94Å; K408-A412 PolarHBondContact O-N 3.43Å; K408-L503 VanDerWaalsContact CD-O 3.28Å; K408-L503 WeakPolarHBondContact CD-O 3.39Å; K408-L503 WeakPolarHBondContact CG-O 3.48Å; K408-L503 PolarHBondContact NZ-O 3.26Å; K408-E509 WeakPolarHBondContact CE-OE1 3.42Å; K408-E509 WeakPolarHBondContact CE-OE2 3.31Å; K408-E509 IonicContact NZ-OE1 2.71Å; K408-E509 PolarHBondContact NZ-OE1 3.08Å; K408-E509 IonicContact NZ-OE2 3.05Å; K408-E509 PolarHBondContact NZ-OE2 3.11Å
409	M	95.5	Very high	96	Very high	93 Å²	93	27.2 Å²	27.2	46%	0.458	14%	0.137	S	C	.	.	H	α-helix	trans	-66.9	-40.6	173.5	-77.4	177.2	72.8	0	0	111.3	T405 K406 S407 A412 Q413	T405-M409 HydrophobicContact CG2-SD 4.48Å; T405-M409 WeakPolarHBondContact O-CG 3.49Å; T405-M409 PolarHBondContact O-N 3.46Å; K406-M409 PolarHBondContact O-N 3.32Å; S407-M409 PolarHBondContact O-N 3.21Å; M409-A412 WeakPolarHBondContact O-CB 3.36Å; M409-A412 PolarHBondContact O-N 3.15Å; M409-Q413 PolarHBondContact O-N 3.45Å; M409-Q413 VanDerWaalsContact O-N 3.16Å
410	A	96.6	Very high	95.9	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-46.5	172.8	0	0	0	0	0	110.9	Y225 D399 K406 S407 A412 Q413 V414	Y225-A410 HydrophobicContact CE2-CB 4.13Å; D399-A410 HydrophobicContact CB-CB 3.72Å; K406-A410 PolarHBondContact O-N 3.43Å; S407-A410 WeakPolarHBondContact O-CB 3.06Å; S407-A410 PolarHBondContact O-N 2.84Å; A410-A412 VanDerWaalsContact C-N 3.29Å; A410-A412 PolarHBondContact O-N 3.4Å; A410-Q413 WeakPolarHBondContact O-CB 3.19Å; A410-Q413 PolarHBondContact O-N 3.08Å; A410-V414 PolarHBondContact O-N 3.48Å
411	A	96.9	Very high	96	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-40.7	174.6	0	0	0	0	0	112.5	S407 K408 Q413 V414 Y415 Y480 L503	S407-A411 PolarHBondContact O-N 3.48Å; K408-A411 PolarHBondContact O-N 2.94Å; A411-Q413 VanDerWaalsContact C-N 3.33Å; A411-Q413 PolarHBondContact O-N 3.48Å; A411-V414 WeakPolarHBondContact O-CB 3.45Å; A411-V414 PolarHBondContact O-N 2.95Å; A411-Y415 WeakPolarHBondContact O-CD2 3.33Å; A411-Y415 PolarHBondContact O-N 3.22Å; A411-Y480 WeakPolarHBondContact CB-OH 3.04Å; A411-L503 HydrophobicContact CB-CD1 4.12Å
412	A	96.2	Very high	96.2	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-41.5	173.9	0	0	0	0	0	111.9	K408 M409 A410 V414 Y415 K416 I500 L503 T504	K408-A412 PolarHBondContact O-N 3.43Å; M409-A412 WeakPolarHBondContact O-CB 3.36Å; M409-A412 PolarHBondContact O-N 3.15Å; A410-A412 VanDerWaalsContact C-N 3.29Å; A410-A412 PolarHBondContact O-N 3.4Å; A412-V414 PolarHBondContact O-N 3.24Å; A412-Y415 PolarHBondContact O-N 2.98Å; A412-K416 WeakPolarHBondContact O-CB 3.22Å; A412-K416 PolarHBondContact O-N 3.47Å; A412-I500 HydrophobicContact CB-CD1 4.29Å; A412-I500 HydrophobicContact CB-CG1 4.15Å; A412-I500 WeakPolarHBondContact O-CD1 3.3Å; A412-L503 HydrophobicContact CB-CB 4.29Å; A412-L503 HydrophobicContact CB-CD1 4.07Å; A412-T504 HydrophobicContact CB-CG2 4.36Å
413	Q	97	Very high	96.3	Very high	72 Å²	72	32.6 Å²	32.6	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-64.2	-39.9	174.9	-61.8	-50.1	-38.6	0	0	112.5	P224 Y225 M409 A410 A411 K416 E417	P224-Q413 HydrophobicContact CB-CB 4.44Å; P224-Q413 WeakPolarHBondContact CB-O 3.44Å; P224-Q413 WeakPolarHBondContact O-CB 3.39Å; Y225-Q413 HydrophobicContact CD2-CB 4.16Å; M409-Q413 PolarHBondContact O-N 3.45Å; M409-Q413 VanDerWaalsContact O-N 3.16Å; A410-Q413 WeakPolarHBondContact O-CB 3.19Å; A410-Q413 PolarHBondContact O-N 3.08Å; A411-Q413 VanDerWaalsContact C-N 3.33Å; A411-Q413 PolarHBondContact O-N 3.48Å; Q413-K416 WeakPolarHBondContact O-CB 3.39Å; Q413-K416 PolarHBondContact O-N 3.25Å; Q413-E417 PolarHBondContact O-N 2.97Å; Q413-E417 VanDerWaalsContact O-N 3.08Å
414	V	97.3	Very high	96.3	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.115	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-51	175.2	175.1	0	0	0	0	110.7	Y225 A410 A411 A412 K416 E417 F418	Y225-V414 HydrophobicContact CD1-CG2 3.71Å; Y225-V414 HydrophobicContact CD2-CG2 3.52Å; Y225-V414 HydrophobicContact CE1-CG2 3.91Å; Y225-V414 HydrophobicContact CE2-CG2 3.71Å; Y225-V414 HydrophobicContact CG-CG2 3.51Å; A410-V414 PolarHBondContact O-N 3.48Å; A411-V414 WeakPolarHBondContact O-CB 3.45Å; A411-V414 PolarHBondContact O-N 2.95Å; A412-V414 PolarHBondContact O-N 3.24Å; V414-K416 VanDerWaalsContact C-N 3.33Å; V414-K416 PolarHBondContact O-N 3.38Å; V414-E417 WeakPolarHBondContact O-CB 3.36Å; V414-E417 PolarHBondContact O-N 3.5Å; V414-E417 VanDerWaalsContact O-N 3.14Å; V414-F418 HydrophobicContact CG1-CD1 4.17Å; V414-F418 HydrophobicContact CG1-CD2 4.05Å; V414-F418 HydrophobicContact CG1-CE1 3.77Å; V414-F418 HydrophobicContact CG1-CE2 3.63Å; V414-F418 HydrophobicContact CG1-CG 4.3Å; V414-F418 HydrophobicContact CG1-CZ 3.49Å; V414-F418 VanDerWaalsContact CG1-CZ 3.49Å; V414-F418 WeakPolarHBondContact O-CG 3.25Å; V414-F418 PolarHBondContact O-N 3.02Å
415	Y	97.1	Very high	96.4	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-32.8	179.4	-74.5	-69.7	0	0	0	113.3	A411 A412 E417 F418 F419 I443 L446 Q447 L503	A411-Y415 WeakPolarHBondContact O-CD2 3.33Å; A411-Y415 PolarHBondContact O-N 3.22Å; A412-Y415 PolarHBondContact O-N 2.98Å; Y415-E417 PolarHBondContact O-N 3.27Å; Y415-F418 HydrophobicContact CD1-CD2 4.28Å; Y415-F418 HydrophobicContact CE1-CD2 4.5Å; Y415-F418 PolarHBondContact O-N 2.88Å; Y415-F419 HydrophobicContact CD1-CE1 4.1Å; Y415-F419 HydrophobicContact CD1-CZ 4.02Å; Y415-F419 HydrophobicContact CG-CZ 4.46Å; Y415-F419 VanDerWaalsContact O-CB 3.3Å; Y415-F419 WeakPolarHBondContact O-CB 3.32Å; Y415-F419 WeakPolarHBondContact O-CD2 3.4Å; Y415-F419 WeakPolarHBondContact O-CG 3.15Å; Y415-F419 PolarHBondContact O-N 3.48Å; Y415-I443 HydrophobicContact CD1-CG1 4.33Å; Y415-I443 HydrophobicContact CD2-CG2 3.92Å; Y415-I443 HydrophobicContact CE1-CG1 4.33Å; Y415-I443 HydrophobicContact CE2-CB 4.38Å; Y415-I443 HydrophobicContact CE2-CG2 3.57Å; Y415-I443 HydrophobicContact CG-CG1 4.42Å; Y415-I443 PolarHBondContact OH-O 3.21Å; Y415-L446 HydrophobicContact CE1-CD1 4.1Å; Y415-L446 WeakPolarHBondContact OH-CB 3.24Å; Y415-Q447 HydrophobicContact CE2-CG 3.89Å; Y415-Q447 PolarHBondContact OH-NE2 3.41Å; Y415-Q447 VanDerWaalsContact OH-NE2 3.11Å; Y415-L503 HydrophobicContact CD2-CD1 4.07Å; Y415-L503 HydrophobicContact CE2-CD1 4.45Å
416	K	96.4	Very high	96.5	Very high	118 Å²	118	34.6 Å²	34.6	51%	0.513	17%	0.172	S	C	.	.	H	α-helix	trans	-59.8	-40	173.3	-177.5	178.5	172.2	-168.1	0	110.8	P224 A412 Q413 V414 S420 I500	P224-K416 HydrophobicContact CB-CB 4.19Å; P224-K416 HydrophobicContact CB-CD 4.06Å; P224-K416 HydrophobicContact CB-CG 4.16Å; P224-K416 HydrophobicContact CG-CB 4.42Å; P224-K416 HydrophobicContact CG-CD 4.09Å; P224-K416 HydrophobicContact CG-CG 3.98Å; A412-K416 WeakPolarHBondContact O-CB 3.22Å; A412-K416 PolarHBondContact O-N 3.47Å; Q413-K416 WeakPolarHBondContact O-CB 3.39Å; Q413-K416 PolarHBondContact O-N 3.25Å; V414-K416 VanDerWaalsContact C-N 3.33Å; V414-K416 PolarHBondContact O-N 3.38Å; K416-S420 WeakPolarHBondContact O-CB 3.39Å; K416-S420 PolarHBondContact O-N 3.3Å; K416-I500 HydrophobicContact CB-CD1 3.92Å
417	E	97.7	Very high	96.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-70.1	-49	175.9	-162.1	171.4	116.5	0	0	111.9	P224 Y225 H226 H271 G273 Q413 V414 Y415 F419 S420 Q421	P224-E417 HydrophobicContact CB-CB 4.18Å; P224-E417 HydrophobicContact CG-CB 4.15Å; Y225-E417 PolarHBondContact N-OE2 3.1Å; H226-E417 IonicContact CE1-OE1 2.7Å; H226-E417 PolarHBondContact CE1-OE1 3.2Å; H226-E417 IonicContact CG-OE1 3.22Å; H226-E417 PolarHBondContact N-OE2 3.49Å; H226-E417 IonicContact ND1-OE1 3.38Å; H226-E417 PolarHBondContact ND1-OE1 2.93Å; H226-E417 IonicContact ND1-OE2 2.77Å; H271-E417 IonicContact CE1-OE1 2.9Å; H271-E417 PolarHBondContact CE1-OE1 3.35Å; H271-E417 IonicContact ND1-OE1 2.95Å; G273-E417 VanDerWaalsContact CA-CD 3.46Å; G273-E417 VanDerWaalsContact CA-OE1 3.26Å; G273-E417 WeakPolarHBondContact CA-OE1 3.49Å; Q413-E417 PolarHBondContact O-N 2.97Å; Q413-E417 VanDerWaalsContact O-N 3.08Å; V414-E417 WeakPolarHBondContact O-CB 3.36Å; V414-E417 PolarHBondContact O-N 3.5Å; V414-E417 VanDerWaalsContact O-N 3.14Å; Y415-E417 PolarHBondContact O-N 3.27Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 3.37Å; E417-S420 WeakPolarHBondContact O-CA 3.46Å; E417-S420 WeakPolarHBondContact O-CB 3.28Å; E417-S420 PolarHBondContact O-N 2.96Å; E417-Q421 PolarHBondContact O-N 3.44Å
418	F	97.5	Very high	96.3	Very high	49 Å²	49	40.7 Å²	40.7	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-44.1	177.8	-75.5	4.9	0	0	0	112.6	V414 Y415 S420 Q421 G422 M436	V414-F418 HydrophobicContact CG1-CD1 4.17Å; V414-F418 HydrophobicContact CG1-CD2 4.05Å; V414-F418 HydrophobicContact CG1-CE1 3.77Å; V414-F418 HydrophobicContact CG1-CE2 3.63Å; V414-F418 HydrophobicContact CG1-CG 4.3Å; V414-F418 HydrophobicContact CG1-CZ 3.49Å; V414-F418 VanDerWaalsContact CG1-CZ 3.49Å; V414-F418 WeakPolarHBondContact O-CG 3.25Å; V414-F418 PolarHBondContact O-N 3.02Å; Y415-F418 HydrophobicContact CD1-CD2 4.28Å; Y415-F418 HydrophobicContact CE1-CD2 4.5Å; Y415-F418 PolarHBondContact O-N 2.88Å; F418-S420 VanDerWaalsContact C-N 3.35Å; F418-Q421 WeakPolarHBondContact O-CB 3.48Å; F418-Q421 PolarHBondContact O-N 3.37Å; F418-G422 PolarHBondContact O-N 2.86Å; F418-M436 VanDerWaalsContact CA-SD 3.57Å; F418-M436 HydrophobicContact CB-CE 4.48Å; F418-M436 HydrophobicContact CB-SD 3.38Å; F418-M436 WeakPolarHBondContact CB-SD 3.45Å; F418-M436 HydrophobicContact CD1-CE 3.85Å; F418-M436 HydrophobicContact CD1-SD 3.77Å; F418-M436 HydrophobicContact CD2-CE 4.11Å; F418-M436 HydrophobicContact CD2-SD 3.98Å; F418-M436 HydrophobicContact CE1-CE 4.02Å; F418-M436 HydrophobicContact CE2-CE 4.27Å; F418-M436 HydrophobicContact CG-CE 3.9Å; F418-M436 HydrophobicContact CG-SD 3.45Å; F418-M436 WeakPolarHBondContact CG-SD 3.4Å; F418-M436 HydrophobicContact CZ-CE 4.23Å
419	F	97	Very high	96.1	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-33.9	177.7	-63.8	-15.5	0	0	0	112.2	Y415 E417 Q421 G422 D423 R438 A441 I443 I500	Y415-F419 HydrophobicContact CD1-CE1 4.1Å; Y415-F419 HydrophobicContact CD1-CZ 4.02Å; Y415-F419 HydrophobicContact CG-CZ 4.46Å; Y415-F419 VanDerWaalsContact O-CB 3.3Å; Y415-F419 WeakPolarHBondContact O-CB 3.32Å; Y415-F419 WeakPolarHBondContact O-CD2 3.4Å; Y415-F419 WeakPolarHBondContact O-CG 3.15Å; Y415-F419 PolarHBondContact O-N 3.48Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 3.37Å; F419-Q421 VanDerWaalsContact C-N 3.32Å; F419-Q421 PolarHBondContact O-N 2.96Å; F419-G422 PolarHBondContact O-N 2.59Å; F419-D423 WeakPolarHBondContact O-CB 3.46Å; F419-D423 PolarHBondContact O-N 3.43Å; F419-R438 HydrophobicContact CB-CB 3.99Å; F419-R438 HydrophobicContact CD1-CB 3.92Å; F419-R438 HydrophobicContact CD2-CB 3.67Å; F419-R438 HydrophobicContact CE1-CB 4.31Å; F419-R438 HydrophobicContact CE2-CB 4.06Å; F419-R438 HydrophobicContact CG-CB 3.59Å; F419-R438 HydrophobicContact CZ-CB 4.37Å; F419-A441 HydrophobicContact CE1-CB 3.62Å; F419-A441 HydrophobicContact CZ-CB 3.76Å; F419-I443 HydrophobicContact CE2-CD1 4.2Å; F419-I443 HydrophobicContact CZ-CD1 4.09Å; F419-I443 HydrophobicContact CZ-CG1 4.22Å; F419-I500 HydrophobicContact CE2-CB 4.38Å
420	S	96.9	Very high	95.9	Very high	63 Å²	63	41.8 Å²	41.8	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-40.4	171.8	-169.7	0	0	0	0	111.5	K416 E417 F418 L424	K416-S420 WeakPolarHBondContact O-CB 3.39Å; K416-S420 PolarHBondContact O-N 3.3Å; E417-S420 WeakPolarHBondContact O-CA 3.46Å; E417-S420 WeakPolarHBondContact O-CB 3.28Å; E417-S420 PolarHBondContact O-N 2.96Å; F418-S420 VanDerWaalsContact C-N 3.35Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 3.33Å
421	Q	96.8	Very high	95.7	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-48.3	172.4	178.3	-174	-52.5	0	0	111.2	T274 T275 F278 E417 F418 F419 D423 L424 E425	T274-Q421 HydrophobicContact CG2-CB 4.41Å; T274-Q421 HydrophobicContact CG2-CG 4.24Å; T275-Q421 PolarHBondContact OG1-NE2 3.5Å; T275-Q421 PolarHBondContact OG1-OE1 3.32Å; F278-Q421 HydrophobicContact CB-CG 4.25Å; F278-Q421 HydrophobicContact CD2-CG 3.66Å; F278-Q421 HydrophobicContact CE2-CG 4.22Å; F278-Q421 HydrophobicContact CG-CG 4.04Å; E417-Q421 PolarHBondContact O-N 3.44Å; F418-Q421 WeakPolarHBondContact O-CB 3.48Å; F418-Q421 PolarHBondContact O-N 3.37Å; F419-Q421 VanDerWaalsContact C-N 3.32Å; F419-Q421 PolarHBondContact O-N 2.96Å; Q421-D423 VanDerWaalsContact C-N 3.26Å; Q421-D423 PolarHBondContact O-N 2.71Å; Q421-L424 WeakPolarHBondContact O-CA 3.35Å; Q421-L424 WeakPolarHBondContact O-CB 3.24Å; Q421-L424 PolarHBondContact O-N 2.97Å; Q421-E425 HydrophobicContact CG-CG 4.37Å; Q421-E425 PolarHBondContact NE2-OE1 3.39Å; Q421-E425 PolarHBondContact O-N 3.26Å
422	G	96.8	Very high	95.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-33.4	-178.1	0	0	0	0	0	113.4	F418 F419 E425 K426 M436	F418-G422 PolarHBondContact O-N 2.86Å; F419-G422 PolarHBondContact O-N 2.59Å; G422-E425 PolarHBondContact O-N 3.25Å; G422-K426 WeakPolarHBondContact O-CG 3.32Å; G422-K426 PolarHBondContact O-N 3.25Å; G422-M436 WeakPolarHBondContact CA-O 3.29Å
423	D	96.7	Very high	95.5	Very high	60 Å²	60	57.3 Å²	57.3	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-39.2	172.7	-65	-24.8	0	0	0	111.6	F419 Q421 K426 A427 R438	F419-D423 WeakPolarHBondContact O-CB 3.46Å; F419-D423 PolarHBondContact O-N 3.43Å; Q421-D423 VanDerWaalsContact C-N 3.26Å; Q421-D423 PolarHBondContact O-N 2.71Å; D423-K426 PolarHBondContact O-N 3.47Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.43Å; D423-R438 IonicContact OD1-CZ 3.63Å; D423-R438 IonicContact OD1-NE 3.45Å; D423-R438 PolarHBondContact OD1-NE 3.14Å; D423-R438 IonicContact OD2-CZ 2.64Å; D423-R438 IonicContact OD2-NE 2.75Å; D423-R438 PolarHBondContact OD2-NE 3.01Å; D423-R438 IonicContact OD2-NH2 3.09Å; D423-R438 PolarHBondContact OD2-NH2 3.48Å
424	L	95.6	Very high	95.3	Very high	81 Å²	81	59 Å²	59	42%	0.424	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-42.5	172.9	-67.2	171.1	0	0	0	111.4	F278 S420 Q421 K426 A427 M428	F278-L424 HydrophobicContact CE2-CB 4.26Å; F278-L424 HydrophobicContact CZ-CB 4.39Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 3.33Å; Q421-L424 WeakPolarHBondContact O-CA 3.35Å; Q421-L424 WeakPolarHBondContact O-CB 3.24Å; Q421-L424 PolarHBondContact O-N 2.97Å; L424-K426 VanDerWaalsContact C-N 3.35Å; L424-K426 PolarHBondContact O-N 3.17Å; L424-A427 PolarHBondContact O-N 2.91Å; L424-M428 VanDerWaalsContact O-CG 3.31Å; L424-M428 WeakPolarHBondContact O-CG 3.47Å; L424-M428 PolarHBondContact O-N 2.87Å
425	E	96	Very high	95.1	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.028	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.8	-70.7	174.1	165.3	0	0	111.1	F278 Q421 G422 A427 M428 G429 N430 P432	F278-E425 HydrophobicContact CD2-CG 3.57Å; F278-E425 HydrophobicContact CE2-CG 3.76Å; Q421-E425 HydrophobicContact CG-CG 4.37Å; Q421-E425 PolarHBondContact NE2-OE1 3.39Å; Q421-E425 PolarHBondContact O-N 3.26Å; G422-E425 PolarHBondContact O-N 3.25Å; E425-A427 PolarHBondContact O-N 3.28Å; E425-M428 PolarHBondContact O-N 3.01Å; E425-G429 PolarHBondContact O-N 2.93Å; E425-N430 CarbonylContact C-O 3.51Å; E425-N430 HydrophobicContact CB-CB 4.27Å; E425-N430 WeakPolarHBondContact O-CA 3Å; E425-N430 WeakPolarHBondContact O-CB 3.46Å; E425-N430 PolarHBondContact O-N 3.04Å; E425-P432 HydrophobicContact CB-CB 4.48Å; E425-P432 WeakPolarHBondContact OE2-CA 3.37Å; E425-P432 WeakPolarHBondContact OE2-CB 3.37Å
426	K	95.3	Very high	95	Very high	69 Å²	69	59.8 Å²	59.8	30%	0.3	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-44	173.9	-73.6	174.6	-178.4	171.4	0	111.7	G422 D423 L424 M428 G429 N430 P432 D437 D439	G422-K426 WeakPolarHBondContact O-CG 3.32Å; G422-K426 PolarHBondContact O-N 3.25Å; D423-K426 PolarHBondContact O-N 3.47Å; L424-K426 VanDerWaalsContact C-N 3.35Å; L424-K426 PolarHBondContact O-N 3.17Å; K426-M428 PolarHBondContact O-N 3.15Å; K426-G429 PolarHBondContact O-N 3.05Å; K426-N430 WeakPolarHBondContact CA-O 3.22Å; K426-P432 HydrophobicContact CD-CG 4.41Å; K426-P432 HydrophobicContact CG-CG 3.98Å; K426-D437 WeakPolarHBondContact CE-OD1 3.5Å; K426-D437 IonicContact NZ-OD1 3.61Å; K426-D437 PolarHBondContact NZ-OD1 3.08Å; K426-D439 IonicContact NZ-OD2 3.24Å; K426-D439 PolarHBondContact NZ-OD2 3.43Å
427	A	94.5	Very high	95	Very high	88 Å²	88	54.4 Å²	54.4	73%	0.727	30%	0.302	S	S	*	.	H	α-helix	trans	-64.3	-28.3	178	0	0	0	0	0	113	D423 L424 E425 G429	D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.43Å; L424-A427 PolarHBondContact O-N 2.91Å; E425-A427 PolarHBondContact O-N 3.28Å; A427-G429 VanDerWaalsContact C-N 3.26Å; A427-G429 PolarHBondContact O-N 3.39Å
428	M	92.1	Very high	94.8	Very high	102 Å²	102	59.3 Å²	59.3	50%	0.502	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.7	172.7	-65.7	177.7	-173.8	0	0	113.6	F278 L424 E425 K426 N430	F278-M428 HydrophobicContact CE2-CE 4.33Å; F278-M428 HydrophobicContact CE2-SD 4.29Å; F278-M428 HydrophobicContact CZ-CE 3.81Å; F278-M428 HydrophobicContact CZ-SD 4.28Å; L424-M428 VanDerWaalsContact O-CG 3.31Å; L424-M428 WeakPolarHBondContact O-CG 3.47Å; L424-M428 PolarHBondContact O-N 2.87Å; E425-M428 PolarHBondContact O-N 3.01Å; K426-M428 PolarHBondContact O-N 3.15Å; M428-N430 VanDerWaalsContact C-N 3.32Å
429	G	92.5	Very high	94.5	Very high	68 Å²	68	62.4 Å²	62.4	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	10.7	-177	0	0	0	0	0	114.4	E425 K426 A427	E425-G429 PolarHBondContact O-N 2.93Å; K426-G429 PolarHBondContact O-N 3.05Å; A427-G429 VanDerWaalsContact C-N 3.26Å; A427-G429 PolarHBondContact O-N 3.39Å
430	N	92	Very high	94.2	Very high	52 Å²	52	67.7 Å²	67.7	28%	0.278	36%	0.362	S	S	.	.			trans	-90.1	158.7	175.3	-65.8	-42.5	0	0	0	111.1	E425 K426 M428	E425-N430 CarbonylContact C-O 3.51Å; E425-N430 HydrophobicContact CB-CB 4.27Å; E425-N430 WeakPolarHBondContact O-CA 3Å; E425-N430 WeakPolarHBondContact O-CB 3.46Å; E425-N430 PolarHBondContact O-N 3.04Å; K426-N430 WeakPolarHBondContact CA-O 3.22Å; M428-N430 VanDerWaalsContact C-N 3.32Å
431	R	91.8	Very high	94	Very high	228 Å²	228	64.7 Å²	64.7	86%	0.86	34%	0.341	S	S	*	.			trans	-98.6	115.8	171.5	-65.7	-177.8	-169.5	-100.7	1.3	108.9
432	P	93.7	Very high	93.8	Very high	15 Å²	15	65.2 Å²	65.2	10%	0.097	34%	0.344	C	S	.	.			trans	-62	152.1	174.2	22.5	-31.5	0	0	0	111.6	E425 K426 M436 D437	E425-P432 HydrophobicContact CB-CB 4.48Å; E425-P432 WeakPolarHBondContact OE2-CA 3.37Å; E425-P432 WeakPolarHBondContact OE2-CB 3.37Å; K426-P432 HydrophobicContact CD-CG 4.41Å; K426-P432 HydrophobicContact CG-CG 3.98Å; P432-M436 HydrophobicContact CB-CB 3.92Å; P432-D437 HydrophobicContact CB-CB 4.31Å; P432-D437 HydrophobicContact CG-CB 3.89Å
433	V	94.2	Very high	93.7	Very high	97 Å²	97	65.2 Å²	65.2	59%	0.588	34%	0.344	S	S	*	.			trans	-66.7	158.1	166.5	-61.2	0	0	0	0	110	A435 M436 D437	V433-A435 VanDerWaalsContact C-N 3.28Å; V433-A435 PolarHBondContact O-N 3.43Å; V433-A435 VanDerWaalsContact O-N 3.15Å; V433-M436 HydrophobicContact CG2-CB 4.18Å; V433-M436 HydrophobicContact CG2-CG 3.56Å; V433-M436 PolarHBondContact O-N 2.85Å; V433-D437 PolarHBondContact O-N 2.68Å; V433-D437 VanDerWaalsContact O-N 3.13Å
434	E	93.8	Very high	93.5	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-50.5	-45.4	-173.5	-176.9	-179.4	163.5	0	0	113.2	M436 D437 A441	E434-M436 PolarHBondContact O-N 3.49Å; E434-D437 PolarHBondContact O-N 2.81Å; E434-D437 VanDerWaalsContact O-N 3.1Å; E434-A441 WeakPolarHBondContact O-CA 3.29Å; E434-A441 VanDerWaalsContact O-CB 3.31Å; E434-A441 WeakPolarHBondContact O-CB 3.41Å
435	A	93.8	Very high	93.5	Very high	25 Å²	25	61.6 Å²	61.6	21%	0.207	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-64.1	-21.1	-179.5	0	0	0	0	0	114.7	V433 L446	V433-A435 VanDerWaalsContact C-N 3.28Å; V433-A435 PolarHBondContact O-N 3.43Å; V433-A435 VanDerWaalsContact O-N 3.15Å; A435-L446 HydrophobicContact CB-CD1 3.99Å; A435-L446 HydrophobicContact CB-CD2 4.19Å
436	M	95	Very high	93.4	Very high	13 Å²	13	63.1 Å²	63.1	6%	0.064	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-97.9	-13.6	178.2	-54.4	-63.2	172	0	0	111.9	T275 F418 G422 P432 V433 E434 R438	T275-M436 HydrophobicContact CG2-CE 3.69Å; F418-M436 VanDerWaalsContact CA-SD 3.57Å; F418-M436 HydrophobicContact CB-CE 4.48Å; F418-M436 HydrophobicContact CB-SD 3.38Å; F418-M436 WeakPolarHBondContact CB-SD 3.45Å; F418-M436 HydrophobicContact CD1-CE 3.85Å; F418-M436 HydrophobicContact CD1-SD 3.77Å; F418-M436 HydrophobicContact CD2-CE 4.11Å; F418-M436 HydrophobicContact CD2-SD 3.98Å; F418-M436 HydrophobicContact CE1-CE 4.02Å; F418-M436 HydrophobicContact CE2-CE 4.27Å; F418-M436 HydrophobicContact CG-CE 3.9Å; F418-M436 HydrophobicContact CG-SD 3.45Å; F418-M436 WeakPolarHBondContact CG-SD 3.4Å; F418-M436 HydrophobicContact CZ-CE 4.23Å; G422-M436 WeakPolarHBondContact CA-O 3.29Å; P432-M436 HydrophobicContact CB-CB 3.92Å; V433-M436 HydrophobicContact CG2-CB 4.18Å; V433-M436 HydrophobicContact CG2-CG 3.56Å; V433-M436 PolarHBondContact O-N 2.85Å; E434-M436 PolarHBondContact O-N 3.49Å; M436-R438 PolarHBondContact O-N 3.2Å
437	D	94.8	Very high	93.4	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.027	32%	0.321	C	S	.	.			trans	-90.8	100.9	-177.2	-167.4	-13.8	0	0	0	110.8	K426 P432 V433 E434 D439 K440 A441	K426-D437 WeakPolarHBondContact CE-OD1 3.5Å; K426-D437 IonicContact NZ-OD1 3.61Å; K426-D437 PolarHBondContact NZ-OD1 3.08Å; P432-D437 HydrophobicContact CB-CB 4.31Å; P432-D437 HydrophobicContact CG-CB 3.89Å; V433-D437 PolarHBondContact O-N 2.68Å; V433-D437 VanDerWaalsContact O-N 3.13Å; E434-D437 PolarHBondContact O-N 2.81Å; E434-D437 VanDerWaalsContact O-N 3.1Å; D437-D439 PolarHBondContact O-N 3.37Å; D437-D439 PolarHBondContact OD1-N 3.44Å; D437-D439 VanDerWaalsContact OD1-N 3.15Å; D437-K440 HydrophobicContact CB-CB 4.2Å; D437-K440 PolarHBondContact O-N 2.92Å; D437-K440 VanDerWaalsContact OD2-CD 3.31Å; D437-K440 WeakPolarHBondContact OD2-CD 3.3Å; D437-K440 WeakPolarHBondContact OD2-CE 3.37Å; D437-K440 IonicContact OD2-NZ 3.26Å; D437-K440 PolarHBondContact OD2-NZ 3.34Å; D437-K440 VanDerWaalsContact OD2-NZ 3.14Å; D437-A441 WeakPolarHBondContact O-CB 3.35Å; D437-A441 PolarHBondContact O-N 3.31Å
438	R	93.2	Very high	93.5	Very high	107 Å²	107	56.8 Å²	56.8	40%	0.404	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.4	178.1	64.8	170	63.9	-128	-1.8	114.9	F419 D423 M436	F419-R438 HydrophobicContact CB-CB 3.99Å; F419-R438 HydrophobicContact CD1-CB 3.92Å; F419-R438 HydrophobicContact CD2-CB 3.67Å; F419-R438 HydrophobicContact CE1-CB 4.31Å; F419-R438 HydrophobicContact CE2-CB 4.06Å; F419-R438 HydrophobicContact CG-CB 3.59Å; F419-R438 HydrophobicContact CZ-CB 4.37Å; D423-R438 IonicContact OD1-CZ 3.63Å; D423-R438 IonicContact OD1-NE 3.45Å; D423-R438 PolarHBondContact OD1-NE 3.14Å; D423-R438 IonicContact OD2-CZ 2.64Å; D423-R438 IonicContact OD2-NE 2.75Å; D423-R438 PolarHBondContact OD2-NE 3.01Å; D423-R438 IonicContact OD2-NH2 3.09Å; D423-R438 PolarHBondContact OD2-NH2 3.48Å; M436-R438 PolarHBondContact O-N 3.2Å
439	D	91	Very high	93.7	Very high	114 Å²	114	56.3 Å²	56.3	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.2	-177.8	-54.8	-49.7	0	0	0	112.3	K426 D437	K426-D439 IonicContact NZ-OD2 3.24Å; K426-D439 PolarHBondContact NZ-OD2 3.43Å; D437-D439 PolarHBondContact O-N 3.37Å; D437-D439 PolarHBondContact OD1-N 3.44Å; D437-D439 VanDerWaalsContact OD1-N 3.15Å
440	K	92	Very high	93.9	Very high	118 Å²	118	55.7 Å²	55.7	51%	0.513	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-21	-173.2	-62.1	-177.1	-168.3	145.3	0	114.9	D437 N442 Y498	D437-K440 HydrophobicContact CB-CB 4.2Å; D437-K440 PolarHBondContact O-N 2.92Å; D437-K440 VanDerWaalsContact OD2-CD 3.31Å; D437-K440 WeakPolarHBondContact OD2-CD 3.3Å; D437-K440 WeakPolarHBondContact OD2-CE 3.37Å; D437-K440 IonicContact OD2-NZ 3.26Å; D437-K440 PolarHBondContact OD2-NZ 3.34Å; D437-K440 VanDerWaalsContact OD2-NZ 3.14Å; K440-N442 PolarHBondContact O-N 3.37Å; K440-N442 VanDerWaalsContact O-N 3.09Å; K440-Y498 WeakPolarHBondContact O-CE1 3.32Å
441	A	92.7	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.			trans	-60.5	111.5	-177.6	0	0	0	0	0	111.2	F419 E434 D437 I443 L446 Y498	F419-A441 HydrophobicContact CE1-CB 3.62Å; F419-A441 HydrophobicContact CZ-CB 3.76Å; E434-A441 WeakPolarHBondContact O-CA 3.29Å; E434-A441 VanDerWaalsContact O-CB 3.31Å; E434-A441 WeakPolarHBondContact O-CB 3.41Å; D437-A441 WeakPolarHBondContact O-CB 3.35Å; D437-A441 PolarHBondContact O-N 3.31Å; A441-I443 PolarHBondContact O-N 2.98Å; A441-I443 VanDerWaalsContact O-N 3.07Å; A441-L446 HydrophobicContact CB-CD1 3.97Å; A441-Y498 WeakPolarHBondContact O-CD1 3.05Å
442	N	92.9	Very high	94.2	Very high	14 Å²	14	43.7 Å²	43.7	8%	0.075	22%	0.221	C	C	.	.			trans	-77.8	92	164.3	-170.7	-44.7	0	0	0	108.8	K440 L444 N445 L446 Q497 Y498	K440-N442 PolarHBondContact O-N 3.37Å; K440-N442 VanDerWaalsContact O-N 3.09Å; N442-L444 PolarHBondContact O-N 3.45Å; N442-L444 PolarHBondContact OD1-N 2.86Å; N442-N445 HydrophobicContact CB-CB 4.08Å; N442-N445 PolarHBondContact ND2-ND2 3.42Å; N442-N445 PolarHBondContact O-N 3.15Å; N442-N445 PolarHBondContact OD1-N 3.29Å; N442-N445 VanDerWaalsContact OD1-N 3.09Å; N442-L446 WeakPolarHBondContact O-CB 3.41Å; N442-L446 VanDerWaalsContact O-CG 3.3Å; N442-L446 WeakPolarHBondContact O-CG 3.29Å; N442-L446 PolarHBondContact O-N 2.97Å; N442-Q497 PolarHBondContact ND2-OE1 2.83Å; N442-Y498 HydrophobicContact CB-CE1 4.44Å
443	I	93	Very high	94.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-40.8	-171.7	-70.6	177.5	0	0	0	112.1	Y415 F419 A441 Q447 Q497 I500 L503	Y415-I443 HydrophobicContact CD1-CG1 4.33Å; Y415-I443 HydrophobicContact CD2-CG2 3.92Å; Y415-I443 HydrophobicContact CE1-CG1 4.33Å; Y415-I443 HydrophobicContact CE2-CB 4.38Å; Y415-I443 HydrophobicContact CE2-CG2 3.57Å; Y415-I443 HydrophobicContact CG-CG1 4.42Å; Y415-I443 PolarHBondContact OH-O 3.21Å; F419-I443 HydrophobicContact CE2-CD1 4.2Å; F419-I443 HydrophobicContact CZ-CD1 4.09Å; F419-I443 HydrophobicContact CZ-CG1 4.22Å; A441-I443 PolarHBondContact O-N 2.98Å; A441-I443 VanDerWaalsContact O-N 3.07Å; I443-Q447 VanDerWaalsContact O-CG 3.29Å; I443-Q447 WeakPolarHBondContact O-CG 3.33Å; I443-Q447 PolarHBondContact O-N 3.13Å; I443-Q497 PolarHBondContact N-O 3.34Å; I443-I500 VanDerWaalsContact CD1-CA 3.49Å; I443-I500 HydrophobicContact CD1-CB 4.18Å; I443-L503 HydrophobicContact CG2-CD1 3.76Å; I443-L503 HydrophobicContact CG2-CD2 3.98Å; I443-L503 HydrophobicContact CG2-CG 3.93Å
444	L	93.6	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-74.2	-42.7	-176.1	-59.8	178.1	0	0	0	112.1	N442 L446 Q447 L448 Y480 M483 Q484 L487 Q497 L503	N442-L444 PolarHBondContact O-N 3.45Å; N442-L444 PolarHBondContact OD1-N 2.86Å; L444-L446 VanDerWaalsContact C-N 3.34Å; L444-Q447 PolarHBondContact O-N 3.41Å; L444-L448 WeakPolarHBondContact O-CG 3.4Å; L444-L448 PolarHBondContact O-N 3.26Å; L444-Y480 HydrophobicContact CD2-CD1 3.98Å; L444-M483 HydrophobicContact CD1-CG 4.14Å; L444-M483 HydrophobicContact CD2-CG 4.13Å; L444-M483 HydrophobicContact CD2-SD 3.71Å; L444-Q484 HydrophobicContact CB-CB 4.38Å; L444-Q484 HydrophobicContact CD1-CB 3.96Å; L444-L487 HydrophobicContact CD1-CD1 3.48Å; L444-L487 VanDerWaalsContact CD1-CD1 3.48Å; L444-Q497 HydrophobicContact CD1-CG 4.3Å; L444-L503 HydrophobicContact CD2-CD2 4.16Å
445	N	94.5	Very high	94	Very high	65 Å²	65	37.3 Å²	37.3	35%	0.348	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-47.8	173	-81.4	-18.4	0	0	0	110.8	N442 Q447 L448 D449 Q484	N442-N445 HydrophobicContact CB-CB 4.08Å; N442-N445 PolarHBondContact ND2-ND2 3.42Å; N442-N445 PolarHBondContact O-N 3.15Å; N442-N445 PolarHBondContact OD1-N 3.29Å; N442-N445 VanDerWaalsContact OD1-N 3.09Å; N445-Q447 VanDerWaalsContact C-N 3.3Å; N445-Q447 PolarHBondContact O-N 3.14Å; N445-L448 PolarHBondContact O-N 2.77Å; N445-L448 VanDerWaalsContact O-N 3.15Å; N445-D449 WeakPolarHBondContact O-CB 3.49Å; N445-D449 PolarHBondContact O-N 3.45Å; N445-Q484 PolarHBondContact OD1-NE2 2.82Å
446	L	95.2	Very high	93.9	Very high	37 Å²	37	36.2 Å²	36.2	19%	0.194	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-37.7	179	-70.9	169.4	0	0	0	112.4	Y415 A435 A441 N442 L444 F450	Y415-L446 HydrophobicContact CE1-CD1 4.1Å; Y415-L446 WeakPolarHBondContact OH-CB 3.24Å; A435-L446 HydrophobicContact CB-CD1 3.99Å; A435-L446 HydrophobicContact CB-CD2 4.19Å; A441-L446 HydrophobicContact CB-CD1 3.97Å; N442-L446 WeakPolarHBondContact O-CB 3.41Å; N442-L446 VanDerWaalsContact O-CG 3.3Å; N442-L446 WeakPolarHBondContact O-CG 3.29Å; N442-L446 PolarHBondContact O-N 2.97Å; L444-L446 VanDerWaalsContact C-N 3.34Å; L446-F450 VanDerWaalsContact O-CB 3.25Å; L446-F450 WeakPolarHBondContact O-CB 3.43Å; L446-F450 PolarHBondContact O-N 2.66Å
447	Q	95.6	Very high	93.7	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-43.1	174.2	-73.8	-60.2	-69.7	0	0	112.5	Y415 I443 L444 N445 F450 L451 Y480	Y415-Q447 HydrophobicContact CE2-CG 3.89Å; Y415-Q447 PolarHBondContact OH-NE2 3.41Å; Y415-Q447 VanDerWaalsContact OH-NE2 3.11Å; I443-Q447 VanDerWaalsContact O-CG 3.29Å; I443-Q447 WeakPolarHBondContact O-CG 3.33Å; I443-Q447 PolarHBondContact O-N 3.13Å; L444-Q447 PolarHBondContact O-N 3.41Å; N445-Q447 VanDerWaalsContact C-N 3.3Å; N445-Q447 PolarHBondContact O-N 3.14Å; Q447-F450 PolarHBondContact O-N 3.09Å; Q447-L451 WeakPolarHBondContact O-CB 3.19Å; Q447-L451 VanDerWaalsContact O-CG 3.29Å; Q447-L451 WeakPolarHBondContact O-CG 3.39Å; Q447-L451 PolarHBondContact O-N 3.22Å; Q447-Y480 HydrophobicContact CB-CD1 4.1Å; Q447-Y480 HydrophobicContact CB-CD2 4.28Å; Q447-Y480 HydrophobicContact CB-CE1 4.02Å; Q447-Y480 HydrophobicContact CB-CE2 4.17Å; Q447-Y480 HydrophobicContact CB-CG 4.25Å; Q447-Y480 HydrophobicContact CG-CD1 4.44Å; Q447-Y480 HydrophobicContact CG-CE1 3.9Å; Q447-Y480 HydrophobicContact CG-CE2 4.46Å; Q447-Y480 PolarHBondContact OE1-OH 3.1Å
448	L	96.2	Very high	93.3	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-46.9	176.3	-72.1	168.9	0	0	0	111.2	L444 N445 F450 L451 D452 R477 E481	L444-L448 WeakPolarHBondContact O-CG 3.4Å; L444-L448 PolarHBondContact O-N 3.26Å; N445-L448 PolarHBondContact O-N 2.77Å; N445-L448 VanDerWaalsContact O-N 3.15Å; L448-F450 PolarHBondContact O-N 3.43Å; L448-L451 PolarHBondContact O-N 3.49Å; L448-D452 WeakPolarHBondContact O-CB 3.4Å; L448-D452 PolarHBondContact O-N 3.29Å; L448-R477 HydrophobicContact CD2-CG 3.94Å; L448-E481 HydrophobicContact CD2-CB 4.19Å
449	D	96.4	Very high	92.9	Very high	91 Å²	91	31.5 Å²	31.5	49%	0.487	16%	0.163	S	C	.	.	H	α-helix	trans	-60.9	-44.3	177.6	-72.8	-20.7	0	0	0	111.2	N445 D452 T453	N445-D449 WeakPolarHBondContact O-CB 3.49Å; N445-D449 PolarHBondContact O-N 3.45Å; D449-D452 PolarHBondContact O-N 2.91Å; D449-T453 VanDerWaalsContact O-CB 3.29Å; D449-T453 WeakPolarHBondContact O-CB 3.48Å; D449-T453 VanDerWaalsContact O-CG2 3.29Å; D449-T453 WeakPolarHBondContact O-CG2 3.08Å; D449-T453 PolarHBondContact O-N 3.24Å; D449-T453 PolarHBondContact O-OG1 2.97Å
450	F	95.8	Very high	92.4	Very high	56 Å²	56	32.9 Å²	32.9	25%	0.246	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-45.2	176.7	179.4	-107.4	0	0	0	112.3	L397 Q400 L446 Q447 L448 I454 A455	L397-F450 HydrophobicContact CD2-CE1 4.15Å; L397-F450 HydrophobicContact CD2-CZ 3.53Å; Q400-F450 HydrophobicContact CG-CE1 3.99Å; L446-F450 VanDerWaalsContact O-CB 3.25Å; L446-F450 WeakPolarHBondContact O-CB 3.43Å; L446-F450 PolarHBondContact O-N 2.66Å; Q447-F450 PolarHBondContact O-N 3.09Å; L448-F450 PolarHBondContact O-N 3.43Å; F450-I454 HydrophobicContact CD2-CB 4.05Å; F450-I454 HydrophobicContact CD2-CG1 4.08Å; F450-I454 HydrophobicContact CD2-CG2 4.5Å; F450-I454 HydrophobicContact CE2-CB 3.97Å; F450-I454 HydrophobicContact CE2-CG1 4.22Å; F450-I454 HydrophobicContact CE2-CG2 3.92Å; F450-I454 HydrophobicContact CZ-CG2 4.34Å; F450-I454 WeakPolarHBondContact O-CA 3.12Å; F450-I454 WeakPolarHBondContact O-CB 3.47Å; F450-I454 PolarHBondContact O-N 2.91Å; F450-A455 HydrophobicContact CE1-CB 4.4Å; F450-A455 PolarHBondContact O-N 3.39Å; F450-A455 VanDerWaalsContact O-N 3.14Å
451	L	95.7	Very high	91.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-61.9	-45	176.6	-73.1	167.4	0	0	0	111.3	Q400 Q447 L448 A455 L456 R477 Y480	Q400-L451 HydrophobicContact CB-CD2 4.26Å; Q447-L451 WeakPolarHBondContact O-CB 3.19Å; Q447-L451 VanDerWaalsContact O-CG 3.29Å; Q447-L451 WeakPolarHBondContact O-CG 3.39Å; Q447-L451 PolarHBondContact O-N 3.22Å; L448-L451 PolarHBondContact O-N 3.49Å; L451-A455 HydrophobicContact CD2-CB 4.02Å; L451-L456 VanDerWaalsContact O-CB 3.24Å; L451-L456 WeakPolarHBondContact O-CB 3.42Å; L451-L456 WeakPolarHBondContact O-CG 3.21Å; L451-L456 PolarHBondContact O-N 3.39Å; L451-R477 HydrophobicContact CB-CG 4.42Å; L451-R477 HydrophobicContact CD1-CB 3.91Å; L451-R477 HydrophobicContact CD1-CG 4.26Å; L451-Y480 HydrophobicContact CD1-CD2 3.58Å; L451-Y480 HydrophobicContact CD1-CE2 3.94Å
452	D	94.6	Very high	89.9	Confident	27 Å²	27	29.5 Å²	29.5	14%	0.144	15%	0.151	C	C	.	.	I	π-helix	trans	-74	-32.5	-174.8	-75.3	-13	0	0	0	113.8	L448 D449 P457 R477 Y526	L448-D452 WeakPolarHBondContact O-CB 3.4Å; L448-D452 PolarHBondContact O-N 3.29Å; D449-D452 PolarHBondContact O-N 2.91Å; D452-P457 WeakPolarHBondContact O-CD 3.45Å; D452-P457 WeakPolarHBondContact O-CG 3.43Å; D452-R477 VanDerWaalsContact OD1-CD 3.32Å; D452-R477 WeakPolarHBondContact OD1-CD 3.27Å; D452-R477 IonicContact OD1-CZ 2.58Å; D452-R477 IonicContact OD1-NE 2.86Å; D452-R477 PolarHBondContact OD1-NE 2.86Å; D452-R477 IonicContact OD1-NH2 2.66Å; D452-R477 IonicContact OD2-CZ 2.65Å; D452-R477 IonicContact OD2-NE 3.66Å; D452-R477 PolarHBondContact OD2-NE 3.17Å; D452-R477 IonicContact OD2-NH2 3.53Å; D452-R477 PolarHBondContact OD2-NH2 3.41Å; D452-Y526 WeakPolarHBondContact OD1-CE2 3.27Å
453	T	92.5	Very high	88.8	Confident	70 Å²	70	30.3 Å²	30.3	43%	0.429	15%	0.154	S	C	.	.	I	π-helix	trans	-96.7	-33.1	-174	61.2	0	0	0	0	113.4	R365 D449	R365-T453 PolarHBondContact NH1-O 3.18Å; D449-T453 VanDerWaalsContact O-CB 3.29Å; D449-T453 WeakPolarHBondContact O-CB 3.48Å; D449-T453 VanDerWaalsContact O-CG2 3.29Å; D449-T453 WeakPolarHBondContact O-CG2 3.08Å; D449-T453 PolarHBondContact O-N 3.24Å; D449-T453 PolarHBondContact O-OG1 2.97Å
454	I	92.5	Very high	88	Confident	17 Å²	17	35.1 Å²	35.1	9%	0.087	19%	0.187	C	C	.	.	I	π-helix	trans	-115.5	-66.8	-172.9	-55.6	-57.1	0	0	0	111.3	L358 L362 L397 F450 P457 I458	L358-I454 HydrophobicContact CD1-CD1 4.29Å; L358-I454 HydrophobicContact CD1-CG2 3.71Å; L358-I454 HydrophobicContact CD2-CD1 4.12Å; L358-I454 HydrophobicContact CD2-CG1 4.16Å; L358-I454 HydrophobicContact CD2-CG2 4.14Å; L358-I454 HydrophobicContact CG-CD1 4.49Å; L362-I454 HydrophobicContact CD1-CD1 4.31Å; L362-I454 HydrophobicContact CD2-CD1 3.95Å; L397-I454 HydrophobicContact CD1-CG2 3.95Å; F450-I454 HydrophobicContact CD2-CB 4.05Å; F450-I454 HydrophobicContact CD2-CG1 4.08Å; F450-I454 HydrophobicContact CD2-CG2 4.5Å; F450-I454 HydrophobicContact CE2-CB 3.97Å; F450-I454 HydrophobicContact CE2-CG1 4.22Å; F450-I454 HydrophobicContact CE2-CG2 3.92Å; F450-I454 HydrophobicContact CZ-CG2 4.34Å; F450-I454 WeakPolarHBondContact O-CA 3.12Å; F450-I454 WeakPolarHBondContact O-CB 3.47Å; F450-I454 PolarHBondContact O-N 2.91Å; I454-P457 WeakPolarHBondContact O-CD 3.48Å; I454-I458 HydrophobicContact CG2-CD1 3.73Å; I454-I458 WeakPolarHBondContact O-CD1 3.46Å; I454-I458 VanDerWaalsContact O-CG1 3.26Å; I454-I458 WeakPolarHBondContact O-CG1 3.32Å; I454-I458 PolarHBondContact O-N 3.36Å; I454-I458 VanDerWaalsContact O-N 3.13Å
455	A	93.2	Very high	87.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-68.3	-53.3	-164.9	0	0	0	0	0	113.4	L397 Q400 F450 L451 I458 L459	L397-A455 HydrophobicContact CD1-CB 4.31Å; Q400-A455 HydrophobicContact CB-CB 4.41Å; Q400-A455 HydrophobicContact CG-CB 4.29Å; F450-A455 HydrophobicContact CE1-CB 4.4Å; F450-A455 PolarHBondContact O-N 3.39Å; F450-A455 VanDerWaalsContact O-N 3.14Å; L451-A455 HydrophobicContact CD2-CB 4.02Å; A455-I458 PolarHBondContact O-N 2.92Å; A455-L459 VanDerWaalsContact O-CG 3.31Å; A455-L459 WeakPolarHBondContact O-CG 3.37Å; A455-L459 PolarHBondContact O-N 3.44Å
456	L	92.2	Very high	86.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-44.6	-179.3	-69.8	172.1	0	0	0	112.1	L451 I458 L459 F460 Y470 A473 R477 Y526	L451-L456 VanDerWaalsContact O-CB 3.24Å; L451-L456 WeakPolarHBondContact O-CB 3.42Å; L451-L456 WeakPolarHBondContact O-CG 3.21Å; L451-L456 PolarHBondContact O-N 3.39Å; L456-I458 VanDerWaalsContact C-N 3.34Å; L456-I458 PolarHBondContact O-N 3.41Å; L456-L459 PolarHBondContact O-N 3.45Å; L456-F460 WeakPolarHBondContact O-CB 3.44Å; L456-F460 PolarHBondContact O-N 2.63Å; L456-Y470 HydrophobicContact CB-CE2 4.18Å; L456-Y470 HydrophobicContact CD2-CD2 4.09Å; L456-Y470 HydrophobicContact CD2-CE2 3.87Å; L456-A473 HydrophobicContact CD2-CB 3.58Å; L456-R477 HydrophobicContact CD1-CG 4.47Å; L456-Y526 HydrophobicContact CD1-CD1 4.22Å; L456-Y526 HydrophobicContact CD1-CD2 3.92Å; L456-Y526 HydrophobicContact CD1-CE1 4.45Å; L456-Y526 HydrophobicContact CD1-CE2 4.2Å; L456-Y526 HydrophobicContact CD1-CG 3.92Å
457	P	89.5	Confident	86.2	Confident	22 Å²	22	39 Å²	39	14%	0.143	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-43.2	174	-27.2	35.9	0	0	0	113.3	D452 I454 Q461	D452-P457 WeakPolarHBondContact O-CD 3.45Å; D452-P457 WeakPolarHBondContact O-CG 3.43Å; I454-P457 WeakPolarHBondContact O-CD 3.48Å; P457-Q461 VanDerWaalsContact C-NE2 3.28Å; P457-Q461 WeakPolarHBondContact O-CG 3.46Å; P457-Q461 PolarHBondContact O-N 2.84Å; P457-Q461 PolarHBondContact O-NE2 3.05Å
458	I	87.8	Confident	85.7	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-46	178.8	-71.2	164.8	0	0	0	110.8	H361 T393 A394 L397 I454 A455 L456 F460 Q461 I462	H361-I458 WeakPolarHBondContact NE2-CG1 3.31Å; T393-I458 HydrophobicContact CG2-CD1 3.63Å; A394-I458 HydrophobicContact CB-CG2 4.07Å; L397-I458 HydrophobicContact CD1-CD1 3.61Å; I454-I458 HydrophobicContact CG2-CD1 3.73Å; I454-I458 WeakPolarHBondContact O-CD1 3.46Å; I454-I458 VanDerWaalsContact O-CG1 3.26Å; I454-I458 WeakPolarHBondContact O-CG1 3.32Å; I454-I458 PolarHBondContact O-N 3.36Å; I454-I458 VanDerWaalsContact O-N 3.13Å; A455-I458 PolarHBondContact O-N 2.92Å; L456-I458 VanDerWaalsContact C-N 3.34Å; L456-I458 PolarHBondContact O-N 3.41Å; I458-F460 PolarHBondContact O-N 2.65Å; I458-Q461 PolarHBondContact O-N 2.82Å; I458-I462 HydrophobicContact CG2-CD1 4.4Å; I458-I462 WeakPolarHBondContact O-CG1 3.49Å
459	L	84.7	Confident	85.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-33	-177.6	-66.5	172.1	0	0	0	113.4	V401 A455 L456 Q461 F466 V469 Y470 A473	V401-L459 HydrophobicContact CG1-CD1 3.41Å; V401-L459 VanDerWaalsContact CG1-CD1 3.41Å; V401-L459 HydrophobicContact CG1-CD2 4.07Å; V401-L459 HydrophobicContact CG1-CG 4.39Å; A455-L459 VanDerWaalsContact O-CG 3.31Å; A455-L459 WeakPolarHBondContact O-CG 3.37Å; A455-L459 PolarHBondContact O-N 3.44Å; L456-L459 PolarHBondContact O-N 3.45Å; L459-Q461 VanDerWaalsContact C-N 3.27Å; L459-Q461 PolarHBondContact O-N 2.62Å; L459-F466 HydrophobicContact CD2-CD1 4.44Å; L459-V469 HydrophobicContact CD2-CG1 3.88Å; L459-Y470 HydrophobicContact CB-CD2 4.19Å; L459-A473 HydrophobicContact CD1-CB 3.61Å
460	F	79.5	Confident	85.2	Confident	143 Å²	143	38.3 Å²	38.3	63%	0.627	20%	0.199	S	C	*	.	H	α-helix	trans	-67	-28.5	176.4	-175.8	-103.3	0	0	0	112.7	L456 I458 Y470	L456-F460 WeakPolarHBondContact O-CB 3.44Å; L456-F460 PolarHBondContact O-N 2.63Å; I458-F460 PolarHBondContact O-N 2.65Å; F460-Y470 HydrophobicContact CB-CD2 3.94Å; F460-Y470 HydrophobicContact CB-CE2 3.73Å; F460-Y470 HydrophobicContact CD2-CD2 4.43Å; F460-Y470 HydrophobicContact CD2-CE1 4.27Å; F460-Y470 HydrophobicContact CD2-CE2 4.02Å; F460-Y470 AromaticContact CD2-CZ 3.92Å; F460-Y470 HydrophobicContact CG-CE2 4.31Å
461	Q	66.4	Low	84.9	Confident	26 Å²	26	39.2 Å²	39.2	12%	0.121	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-22.5	-165.9	-78.4	164.5	30.5	0	0	115.2	M369 P457 I458 L459	M369-Q461 HydrophobicContact CE-CG 4.5Å; M369-Q461 HydrophobicContact SD-CG 3.47Å; M369-Q461 WeakPolarHBondContact SD-CG 3.21Å; P457-Q461 VanDerWaalsContact C-NE2 3.28Å; P457-Q461 WeakPolarHBondContact O-CG 3.46Å; P457-Q461 PolarHBondContact O-N 2.84Å; P457-Q461 PolarHBondContact O-NE2 3.05Å; I458-Q461 PolarHBondContact O-N 2.82Å; L459-Q461 VanDerWaalsContact C-N 3.27Å; L459-Q461 PolarHBondContact O-N 2.62Å
462	I	66.4	Low	84.7	Confident	22 Å²	22	40.1 Å²	40.1	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	-91.2	-56.1	-153.7	-36.8	-171.9	0	0	0	112.4	L391 A394 I458 F466	L391-I462 HydrophobicContact CD2-CG2 3.87Å; A394-I462 HydrophobicContact CB-CD1 3.34Å; I458-I462 HydrophobicContact CG2-CD1 4.4Å; I458-I462 WeakPolarHBondContact O-CG1 3.49Å; I462-F466 HydrophobicContact CD1-CD1 4.44Å; I462-F466 HydrophobicContact CD1-CE1 3.99Å; I462-F466 HydrophobicContact CD1-CZ 4.35Å
463	F	70.1	Confident	84.6	Confident	31 Å²	31	38.9 Å²	38.9	14%	0.136	20%	0.203	C	C	.	.			trans	-153.8	153.9	-178.1	-63.6	-80.7	0	0	0	112.5	T247 V248 Q251 L387 L391 E465 F466	T247-F463 HydrophobicContact CG2-CD1 4.43Å; T247-F463 HydrophobicContact CG2-CE1 4.37Å; V248-F463 HydrophobicContact CB-CE2 4.35Å; V248-F463 HydrophobicContact CB-CZ 4.32Å; V248-F463 HydrophobicContact CG2-CD1 4.28Å; V248-F463 HydrophobicContact CG2-CD2 3.51Å; V248-F463 HydrophobicContact CG2-CE1 3.99Å; V248-F463 HydrophobicContact CG2-CE2 3.17Å; V248-F463 HydrophobicContact CG2-CG 4.08Å; V248-F463 HydrophobicContact CG2-CZ 3.44Å; V248-F463 VanDerWaalsContact CG2-CZ 3.44Å; Q251-F463 VanDerWaalsContact OE1-CE1 3.3Å; Q251-F463 VanDerWaalsContact OE1-CZ 3.27Å; L387-F463 HydrophobicContact CD1-CE2 4.11Å; L387-F463 HydrophobicContact CD1-CZ 3.85Å; L391-F463 HydrophobicContact CD2-CE2 4.21Å; F463-E465 HydrophobicContact CB-CB 4.46Å; F463-E465 PolarHBondContact O-N 2.64Å; F463-F466 HydrophobicContact CB-CD2 3.9Å; F463-F466 HydrophobicContact CB-CE2 4.49Å; F463-F466 AromaticContact CD2-CD2 4Å; F463-F466 HydrophobicContact CD2-CD2 4Å; F463-F466 AromaticContact CD2-CE2 3.75Å; F463-F466 HydrophobicContact CD2-CE2 3.75Å; F463-F466 HydrophobicContact CG-CD2 4.43Å; F463-F466 WeakPolarHBondContact O-CB 3.19Å; F463-F466 PolarHBondContact O-N 3.2Å
464	S	75.1	Confident	84.6	Confident	101 Å²	101	35.8 Å²	35.8	71%	0.706	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-58.4	-30.3	171.8	64.5	0	0	0	0	112.7	F466 K467	S464-F466 PolarHBondContact O-N 2.82Å; S464-K467 WeakPolarHBondContact O-CB 3.43Å; S464-K467 PolarHBondContact O-N 2.88Å; S464-K467 VanDerWaalsContact O-N 3.17Å
465	E	78.7	Confident	84.6	Confident	71 Å²	71	37.3 Å²	37.3	33%	0.332	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-71.7	-16.3	178.8	-61.6	93.1	131.8	0	0	112.8	I245 T247 F463 K467 P468	I245-E465 HydrophobicContact CD1-CB 4.38Å; I245-E465 HydrophobicContact CG1-CB 4.43Å; I245-E465 HydrophobicContact CG2-CB 4.02Å; I245-E465 HydrophobicContact CG2-CG 4.2Å; T247-E465 WeakPolarHBondContact CB-OE1 3.35Å; T247-E465 PolarHBondContact OG1-OE1 2.8Å; F463-E465 HydrophobicContact CB-CB 4.46Å; F463-E465 PolarHBondContact O-N 2.64Å; E465-K467 PolarHBondContact O-N 3.01Å; E465-P468 WeakPolarHBondContact O-CD 3.26Å
466	F	81.4	Confident	84.7	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-79.1	-3.7	171.9	-87.6	-120.3	0	0	0	112.7	F237 I241 I245 L391 A394 L459 I462 F463 S464 V469 Y470	F237-F466 HydrophobicContact CE1-CE1 4.34Å; I241-F466 HydrophobicContact CD1-CE1 4.35Å; I241-F466 HydrophobicContact CD1-CZ 3.67Å; I241-F466 HydrophobicContact CG1-CE2 4.32Å; I241-F466 HydrophobicContact CG1-CZ 3.74Å; I241-F466 HydrophobicContact CG2-CZ 4.48Å; I245-F466 HydrophobicContact CD1-CD2 3.62Å; I245-F466 HydrophobicContact CD1-CE2 3.32Å; I245-F466 HydrophobicContact CD1-CZ 4.3Å; L391-F466 HydrophobicContact CD2-CZ 4.39Å; A394-F466 HydrophobicContact CB-CE1 4.44Å; L459-F466 HydrophobicContact CD2-CD1 4.44Å; I462-F466 HydrophobicContact CD1-CD1 4.44Å; I462-F466 HydrophobicContact CD1-CE1 3.99Å; I462-F466 HydrophobicContact CD1-CZ 4.35Å; F463-F466 HydrophobicContact CB-CD2 3.9Å; F463-F466 HydrophobicContact CB-CE2 4.49Å; F463-F466 AromaticContact CD2-CD2 4Å; F463-F466 HydrophobicContact CD2-CD2 4Å; F463-F466 AromaticContact CD2-CE2 3.75Å; F463-F466 HydrophobicContact CD2-CE2 3.75Å; F463-F466 HydrophobicContact CG-CD2 4.43Å; F463-F466 WeakPolarHBondContact O-CB 3.19Å; F463-F466 PolarHBondContact O-N 3.2Å; S464-F466 PolarHBondContact O-N 2.82Å; F466-V469 HydrophobicContact CD1-CB 4.42Å; F466-V469 HydrophobicContact CD1-CG1 4.3Å; F466-V469 WeakPolarHBondContact O-CA 3.35Å; F466-V469 VanDerWaalsContact O-CB 3.29Å; F466-V469 WeakPolarHBondContact O-CB 3.24Å; F466-V469 PolarHBondContact O-N 2.79Å; F466-Y470 PolarHBondContact O-N 2.95Å
467	K	84.9	Confident	84.9	Confident	111 Å²	111	39.6 Å²	39.6	48%	0.483	20%	0.199	S	C	.	.	H	α-helix	trans	-50.5	-46.4	-178.6	178.1	177.2	174.5	-176.1	0	113.7	S464 E465 V469 Y470 E471	S464-K467 WeakPolarHBondContact O-CB 3.43Å; S464-K467 PolarHBondContact O-N 2.88Å; S464-K467 VanDerWaalsContact O-N 3.17Å; E465-K467 PolarHBondContact O-N 3.01Å; K467-V469 VanDerWaalsContact C-N 3.3Å; K467-V469 PolarHBondContact O-N 3.32Å; K467-Y470 PolarHBondContact O-N 2.78Å; K467-E471 WeakPolarHBondContact CE-OE1 3.29Å; K467-E471 HydrophobicContact CG-CG 4.32Å; K467-E471 IonicContact NZ-OE1 3.91Å; K467-E471 WeakPolarHBondContact O-CB 3.38Å; K467-E471 VanDerWaalsContact O-CG 3.31Å; K467-E471 WeakPolarHBondContact O-CG 2.93Å; K467-E471 PolarHBondContact O-N 3.3Å
468	P	86.8	Confident	85.1	Confident	66 Å²	66	40 Å²	40	43%	0.429	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-33.9	176.9	-22.2	34.9	0	0	0	113.5	F174 E465 S472	F174-P468 HydrophobicContact CZ-CB 4.09Å; E465-P468 WeakPolarHBondContact O-CD 3.26Å; P468-S472 PolarHBondContact O-N 3.27Å
469	V	90.4	Very high	85.4	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-45.9	176.6	173.5	0	0	0	0	110.1	F173 F237 V401 L459 F466 K467 S472 A473	F173-V469 HydrophobicContact CB-CG2 4.02Å; F173-V469 HydrophobicContact CD1-CG2 4.13Å; F173-V469 HydrophobicContact CD2-CG2 4.12Å; F173-V469 HydrophobicContact CG-CG2 3.83Å; F237-V469 HydrophobicContact CE2-CG1 4.49Å; F237-V469 HydrophobicContact CZ-CG1 3.89Å; V401-V469 HydrophobicContact CB-CG1 3.85Å; V401-V469 HydrophobicContact CG1-CG1 3.52Å; V401-V469 HydrophobicContact CG2-CG1 3.98Å; L459-V469 HydrophobicContact CD2-CG1 3.88Å; F466-V469 HydrophobicContact CD1-CB 4.42Å; F466-V469 HydrophobicContact CD1-CG1 4.3Å; F466-V469 WeakPolarHBondContact O-CA 3.35Å; F466-V469 VanDerWaalsContact O-CB 3.29Å; F466-V469 WeakPolarHBondContact O-CB 3.24Å; F466-V469 PolarHBondContact O-N 2.79Å; K467-V469 VanDerWaalsContact C-N 3.3Å; K467-V469 PolarHBondContact O-N 3.32Å; V469-S472 WeakPolarHBondContact O-CB 3.42Å; V469-S472 PolarHBondContact O-N 3.19Å; V469-A473 PolarHBondContact O-N 3.12Å; V469-A473 VanDerWaalsContact O-N 3.14Å
470	Y	90.2	Very high	85.9	Confident	31 Å²	31	39.8 Å²	39.8	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-43.9	175.3	173.1	-98.4	0	0	0	112.2	L456 L459 F460 F466 K467 S472 A473 C474 Y526	L456-Y470 HydrophobicContact CB-CE2 4.18Å; L456-Y470 HydrophobicContact CD2-CD2 4.09Å; L456-Y470 HydrophobicContact CD2-CE2 3.87Å; L459-Y470 HydrophobicContact CB-CD2 4.19Å; F460-Y470 HydrophobicContact CB-CD2 3.94Å; F460-Y470 HydrophobicContact CB-CE2 3.73Å; F460-Y470 HydrophobicContact CD2-CD2 4.43Å; F460-Y470 HydrophobicContact CD2-CE1 4.27Å; F460-Y470 HydrophobicContact CD2-CE2 4.02Å; F460-Y470 AromaticContact CD2-CZ 3.92Å; F460-Y470 HydrophobicContact CG-CE2 4.31Å; F466-Y470 PolarHBondContact O-N 2.95Å; K467-Y470 PolarHBondContact O-N 2.78Å; Y470-S472 VanDerWaalsContact C-N 3.3Å; Y470-S472 PolarHBondContact O-N 2.58Å; Y470-A473 PolarHBondContact O-N 3.42Å; Y470-C474 VanDerWaalsContact CE1-SG 3.52Å; Y470-C474 PolarHBondContact O-N 3.49Å; Y470-C474 PolarHBondContact O-SG 3.41Å; Y470-Y526 WeakPolarHBondContact OH-CD1 3.34Å
471	E	89.7	Confident	86.6	Confident	76 Å²	76	35.6 Å²	35.6	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-61.9	-37.3	176.5	-74.9	172.4	163.5	0	0	111.8	K467 C474 F475	K467-E471 WeakPolarHBondContact CE-OE1 3.29Å; K467-E471 HydrophobicContact CG-CG 4.32Å; K467-E471 IonicContact NZ-OE1 3.91Å; K467-E471 WeakPolarHBondContact O-CB 3.38Å; K467-E471 VanDerWaalsContact O-CG 3.31Å; K467-E471 WeakPolarHBondContact O-CG 2.93Å; K467-E471 PolarHBondContact O-N 3.3Å; E471-C474 WeakPolarHBondContact O-CB 3.46Å; E471-C474 PolarHBondContact O-N 2.78Å; E471-F475 PolarHBondContact O-N 2.7Å
472	S	91.6	Very high	87.8	Confident	19 Å²	19	34.8 Å²	34.8	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-42.9	173.4	-171.4	0	0	0	0	112.6	V401 P468 V469 Y470 C474 F475 N476	V401-S472 PolarHBondContact O-OG 2.87Å; P468-S472 PolarHBondContact O-N 3.27Å; V469-S472 WeakPolarHBondContact O-CB 3.42Å; V469-S472 PolarHBondContact O-N 3.19Å; Y470-S472 VanDerWaalsContact C-N 3.3Å; Y470-S472 PolarHBondContact O-N 2.58Å; S472-C474 VanDerWaalsContact C-N 3.32Å; S472-C474 PolarHBondContact O-N 3.11Å; S472-F475 WeakPolarHBondContact O-CB 3.31Å; S472-F475 PolarHBondContact O-N 3.32Å; S472-N476 PolarHBondContact O-N 3.45Å
473	A	93.2	Very high	89.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-38.1	173.6	0	0	0	0	0	112	V401 L456 L459 V469 Y470 F475 N476 R477	V401-A473 HydrophobicContact CG1-CB 4.29Å; L456-A473 HydrophobicContact CD2-CB 3.58Å; L459-A473 HydrophobicContact CD1-CB 3.61Å; V469-A473 PolarHBondContact O-N 3.12Å; V469-A473 VanDerWaalsContact O-N 3.14Å; Y470-A473 PolarHBondContact O-N 3.42Å; A473-F475 VanDerWaalsContact C-N 3.32Å; A473-F475 PolarHBondContact O-N 3.08Å; A473-N476 PolarHBondContact O-N 3.37Å; A473-R477 PolarHBondContact O-N 3.22Å
474	C	92.5	Very high	90.1	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-37.2	175	-61.9	0	0	0	0	112	Y470 E471 S472 R477 F478 Y524 Y526	Y470-C474 VanDerWaalsContact CE1-SG 3.52Å; Y470-C474 PolarHBondContact O-N 3.49Å; Y470-C474 PolarHBondContact O-SG 3.41Å; E471-C474 WeakPolarHBondContact O-CB 3.46Å; E471-C474 PolarHBondContact O-N 2.78Å; S472-C474 VanDerWaalsContact C-N 3.32Å; S472-C474 PolarHBondContact O-N 3.11Å; C474-R477 WeakPolarHBondContact O-CB 3.14Å; C474-R477 PolarHBondContact O-N 3.28Å; C474-F478 PolarHBondContact O-N 2.98Å; C474-Y524 WeakPolarHBondContact CB-O 3.49Å; C474-Y526 VanDerWaalsContact SG-CB 3.55Å
475	F	93	Very high	90.9	Very high	49 Å²	49	34.2 Å²	34.2	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-45.8	172.5	175.8	-99	0	0	0	111.7	W404 E471 S472 A473 R477 F478 C479 A516 Y524	W404-F475 HydrophobicContact CB-CE1 4.03Å; E471-F475 PolarHBondContact O-N 2.7Å; S472-F475 WeakPolarHBondContact O-CB 3.31Å; S472-F475 PolarHBondContact O-N 3.32Å; A473-F475 VanDerWaalsContact C-N 3.32Å; A473-F475 PolarHBondContact O-N 3.08Å; F475-R477 VanDerWaalsContact C-N 3.35Å; F475-R477 PolarHBondContact O-N 2.85Å; F475-F478 WeakPolarHBondContact O-CB 3.38Å; F475-F478 PolarHBondContact O-N 2.72Å; F475-C479 VanDerWaalsContact CE1-SG 3.57Å; F475-C479 PolarHBondContact O-N 3.06Å; F475-C479 PolarHBondContact O-SG 2.84Å; F475-A516 HydrophobicContact CE2-CB 3.8Å; F475-A516 HydrophobicContact CZ-CB 4.06Å; F475-Y524 HydrophobicContact CB-CG 4.41Å; F475-Y524 HydrophobicContact CD2-CD1 4.05Å; F475-Y524 AromaticContact CD2-CD2 3.85Å; F475-Y524 HydrophobicContact CD2-CD2 3.85Å; F475-Y524 AromaticContact CD2-CE1 3.76Å; F475-Y524 HydrophobicContact CD2-CE1 3.76Å; F475-Y524 AromaticContact CD2-CE2 3.5Å; F475-Y524 HydrophobicContact CD2-CE2 3.5Å; F475-Y524 HydrophobicContact CD2-CG 4.1Å; F475-Y524 AromaticContact CD2-CZ 3.49Å; F475-Y524 VanDerWaalsContact CD2-CZ 3.49Å; F475-Y524 HydrophobicContact CE2-CE1 4.15Å; F475-Y524 AromaticContact CE2-CE2 3.94Å; F475-Y524 HydrophobicContact CE2-CE2 3.94Å; F475-Y524 AromaticContact CE2-CZ 3.66Å
476	N	94.9	Very high	91.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-41.3	176.1	-72	-20.2	0	0	0	111.9	Q400 K402 W404 S407 S472 A473 F478 C479 Y480	Q400-N476 PolarHBondContact O-ND2 3.23Å; K402-N476 PolarHBondContact O-ND2 3.01Å; W404-N476 VanDerWaalsContact CA-OD1 3.26Å; W404-N476 WeakPolarHBondContact CA-OD1 3.48Å; W404-N476 HydrophobicContact CE3-CB 4.28Å; W404-N476 PolarHBondContact N-OD1 3.3Å; S407-N476 WeakPolarHBondContact CB-ND2 3.44Å; S407-N476 PolarHBondContact OG-ND2 3.4Å; S472-N476 PolarHBondContact O-N 3.45Å; A473-N476 PolarHBondContact O-N 3.37Å; N476-F478 VanDerWaalsContact C-N 3.35Å; N476-F478 PolarHBondContact O-N 3.19Å; N476-C479 WeakPolarHBondContact O-CB 3.43Å; N476-C479 PolarHBondContact O-N 3.18Å; N476-C479 VanDerWaalsContact O-N 3.16Å; N476-Y480 VanDerWaalsContact O-CD2 3.25Å; N476-Y480 WeakPolarHBondContact O-CD2 3.39Å; N476-Y480 PolarHBondContact O-N 3.06Å
477	R	95.1	Very high	91.6	Very high	50 Å²	50	31.7 Å²	31.7	19%	0.189	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-47.1	172.1	-171.9	-151.3	177.8	-83.6	-6.8	111.7	L448 L451 D452 L456 A473 C474 F475 C479 Y480 E481	L448-R477 HydrophobicContact CD2-CG 3.94Å; L451-R477 HydrophobicContact CB-CG 4.42Å; L451-R477 HydrophobicContact CD1-CB 3.91Å; L451-R477 HydrophobicContact CD1-CG 4.26Å; D452-R477 VanDerWaalsContact OD1-CD 3.32Å; D452-R477 WeakPolarHBondContact OD1-CD 3.27Å; D452-R477 IonicContact OD1-CZ 2.58Å; D452-R477 IonicContact OD1-NE 2.86Å; D452-R477 PolarHBondContact OD1-NE 2.86Å; D452-R477 IonicContact OD1-NH2 2.66Å; D452-R477 IonicContact OD2-CZ 2.65Å; D452-R477 IonicContact OD2-NE 3.66Å; D452-R477 PolarHBondContact OD2-NE 3.17Å; D452-R477 IonicContact OD2-NH2 3.53Å; D452-R477 PolarHBondContact OD2-NH2 3.41Å; L456-R477 HydrophobicContact CD1-CG 4.47Å; A473-R477 PolarHBondContact O-N 3.22Å; C474-R477 WeakPolarHBondContact O-CB 3.14Å; C474-R477 PolarHBondContact O-N 3.28Å; F475-R477 VanDerWaalsContact C-N 3.35Å; F475-R477 PolarHBondContact O-N 2.85Å; R477-C479 VanDerWaalsContact C-N 3.29Å; R477-C479 PolarHBondContact O-N 2.97Å; R477-Y480 PolarHBondContact O-N 3.46Å; R477-E481 IonicContact NH1-OE2 2.86Å; R477-E481 PolarHBondContact NH1-OE2 3.22Å; R477-E481 PolarHBondContact O-N 3.28Å
478	F	94.1	Very high	91.6	Very high	30 Å²	30	32.1 Å²	32.1	13%	0.132	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-40.1	175.9	169.5	-89.3	0	0	0	112	C474 F475 N476 E481 T482 I515 A516 M519 Y524	C474-F478 PolarHBondContact O-N 2.98Å; F475-F478 WeakPolarHBondContact O-CB 3.38Å; F475-F478 PolarHBondContact O-N 2.72Å; N476-F478 VanDerWaalsContact C-N 3.35Å; N476-F478 PolarHBondContact O-N 3.19Å; F478-E481 PolarHBondContact O-N 2.98Å; F478-T482 WeakPolarHBondContact CE1-OG1 3.35Å; F478-T482 VanDerWaalsContact CZ-OG1 3.28Å; F478-T482 WeakPolarHBondContact CZ-OG1 3.34Å; F478-T482 WeakPolarHBondContact O-CB 3.47Å; F478-T482 PolarHBondContact O-N 3.14Å; F478-T482 PolarHBondContact O-OG1 3.34Å; F478-I515 HydrophobicContact CZ-CG2 4.44Å; F478-A516 HydrophobicContact CD1-CB 4.33Å; F478-A516 HydrophobicContact CE1-CB 3.82Å; F478-M519 HydrophobicContact CE1-SD 4.44Å; F478-M519 HydrophobicContact CE2-CE 4.21Å; F478-M519 HydrophobicContact CE2-SD 3.5Å; F478-M519 VanDerWaalsContact CE2-SD 3.5Å; F478-M519 HydrophobicContact CZ-CG 4.4Å; F478-M519 HydrophobicContact CZ-SD 3.27Å; F478-M519 WeakPolarHBondContact CZ-SD 3.37Å; F478-Y524 HydrophobicContact CB-CD1 3.91Å; F478-Y524 HydrophobicContact CB-CE1 4.33Å; F478-Y524 AromaticContact CD1-CD1 3.97Å; F478-Y524 HydrophobicContact CD1-CD1 3.97Å; F478-Y524 AromaticContact CD1-CE1 3.5Å; F478-Y524 HydrophobicContact CD1-CE1 3.5Å; F478-Y524 HydrophobicContact CD2-CD1 4.3Å; F478-Y524 HydrophobicContact CD2-CE1 4.32Å; F478-Y524 AromaticContact CE1-CE1 3.9Å; F478-Y524 HydrophobicContact CE1-CE1 3.9Å; F478-Y524 AromaticContact CG-CD1 3.77Å; F478-Y524 HydrophobicContact CG-CD1 3.77Å; F478-Y524 AromaticContact CG-CE1 3.76Å; F478-Y524 HydrophobicContact CG-CE1 3.76Å; F478-Y524 HydrophobicContact CZ-CE1 4.45Å
479	C	94.5	Very high	91.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.5	-67.1	0	0	0	0	111.8	W404 F475 N476 R477 T482 M483 V512	W404-C479 HydrophobicContact CD2-CB 3.46Å; W404-C479 VanDerWaalsContact CD2-CB 3.46Å; W404-C479 HydrophobicContact CE3-CB 3.4Å; W404-C479 HydrophobicContact CG-CB 4.15Å; W404-C479 HydrophobicContact CH2-CB 3.71Å; W404-C479 HydrophobicContact CZ2-CB 3.76Å; W404-C479 HydrophobicContact CZ3-CB 3.53Å; F475-C479 VanDerWaalsContact CE1-SG 3.57Å; F475-C479 PolarHBondContact O-N 3.06Å; F475-C479 PolarHBondContact O-SG 2.84Å; N476-C479 WeakPolarHBondContact O-CB 3.43Å; N476-C479 PolarHBondContact O-N 3.18Å; N476-C479 VanDerWaalsContact O-N 3.16Å; R477-C479 VanDerWaalsContact C-N 3.29Å; R477-C479 PolarHBondContact O-N 2.97Å; C479-T482 PolarHBondContact O-N 3.44Å; C479-M483 VanDerWaalsContact O-CB 3.31Å; C479-M483 WeakPolarHBondContact O-CB 3.37Å; C479-M483 PolarHBondContact O-N 3.33Å; C479-V512 HydrophobicContact CB-CG1 3.71Å
480	Y	95.1	Very high	90.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-44.7	173.3	-79.4	-61.7	0	0	0	112.6	W404 A411 L444 Q447 L451 N476 R477 T482 M483 Q484 L503	W404-Y480 AromaticContact CH2-CD1 3.53Å; W404-Y480 HydrophobicContact CH2-CD1 3.53Å; W404-Y480 HydrophobicContact CH2-CD2 4.13Å; W404-Y480 AromaticContact CH2-CE1 3.63Å; W404-Y480 HydrophobicContact CH2-CE1 3.63Å; W404-Y480 HydrophobicContact CH2-CE2 4.25Å; W404-Y480 AromaticContact CH2-CG 3.78Å; W404-Y480 HydrophobicContact CH2-CG 3.78Å; W404-Y480 AromaticContact CZ3-CD1 3.9Å; W404-Y480 HydrophobicContact CZ3-CD1 3.9Å; W404-Y480 AromaticContact CZ3-CD2 3.65Å; W404-Y480 HydrophobicContact CZ3-CD2 3.65Å; W404-Y480 AromaticContact CZ3-CE1 3.84Å; W404-Y480 HydrophobicContact CZ3-CE1 3.84Å; W404-Y480 AromaticContact CZ3-CE2 3.62Å; W404-Y480 HydrophobicContact CZ3-CE2 3.62Å; W404-Y480 AromaticContact CZ3-CG 3.79Å; W404-Y480 HydrophobicContact CZ3-CG 3.79Å; W404-Y480 AromaticContact CZ3-CZ 3.7Å; A411-Y480 WeakPolarHBondContact CB-OH 3.04Å; L444-Y480 HydrophobicContact CD2-CD1 3.98Å; Q447-Y480 HydrophobicContact CB-CD1 4.1Å; Q447-Y480 HydrophobicContact CB-CD2 4.28Å; Q447-Y480 HydrophobicContact CB-CE1 4.02Å; Q447-Y480 HydrophobicContact CB-CE2 4.17Å; Q447-Y480 HydrophobicContact CB-CG 4.25Å; Q447-Y480 HydrophobicContact CG-CD1 4.44Å; Q447-Y480 HydrophobicContact CG-CE1 3.9Å; Q447-Y480 HydrophobicContact CG-CE2 4.46Å; Q447-Y480 PolarHBondContact OE1-OH 3.1Å; L451-Y480 HydrophobicContact CD1-CD2 3.58Å; L451-Y480 HydrophobicContact CD1-CE2 3.94Å; N476-Y480 VanDerWaalsContact O-CD2 3.25Å; N476-Y480 WeakPolarHBondContact O-CD2 3.39Å; N476-Y480 PolarHBondContact O-N 3.06Å; R477-Y480 PolarHBondContact O-N 3.46Å; Y480-T482 VanDerWaalsContact C-N 3.32Å; Y480-T482 PolarHBondContact O-N 2.95Å; Y480-M483 WeakPolarHBondContact O-CB 3.31Å; Y480-M483 PolarHBondContact O-N 3.16Å; Y480-Q484 PolarHBondContact O-N 3.24Å; Y480-L503 HydrophobicContact CE1-CD2 3.8Å
481	E	94.1	Very high	89.4	Confident	54 Å²	54	42.1 Å²	42.1	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-40.8	177.8	-173.8	-178.5	160.7	0	0	111.4	L448 R477 F478 Q484 K485	L448-E481 HydrophobicContact CD2-CB 4.19Å; R477-E481 IonicContact NH1-OE2 2.86Å; R477-E481 PolarHBondContact NH1-OE2 3.22Å; R477-E481 PolarHBondContact O-N 3.28Å; F478-E481 PolarHBondContact O-N 2.98Å; E481-Q484 PolarHBondContact O-N 3.36Å; E481-K485 WeakPolarHBondContact O-CG 3.38Å; E481-K485 PolarHBondContact O-N 2.84Å; E481-K485 WeakPolarHBondContact OE1-CE 3.43Å; E481-K485 IonicContact OE1-NZ 3.76Å; E481-K485 PolarHBondContact OE1-NZ 3.19Å
482	T	92.7	Very high	88.3	Confident	10 Å²	10	46.5 Å²	46.5	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-46.4	175.9	-59.5	0	0	0	0	110.9	F478 C479 Y480 Q484 K485 L486 V512 I515	F478-T482 WeakPolarHBondContact CE1-OG1 3.35Å; F478-T482 VanDerWaalsContact CZ-OG1 3.28Å; F478-T482 WeakPolarHBondContact CZ-OG1 3.34Å; F478-T482 WeakPolarHBondContact O-CB 3.47Å; F478-T482 PolarHBondContact O-N 3.14Å; F478-T482 PolarHBondContact O-OG1 3.34Å; C479-T482 PolarHBondContact O-N 3.44Å; Y480-T482 VanDerWaalsContact C-N 3.32Å; Y480-T482 PolarHBondContact O-N 2.95Å; T482-Q484 VanDerWaalsContact C-N 3.3Å; T482-Q484 PolarHBondContact O-N 2.96Å; T482-K485 PolarHBondContact O-N 3.22Å; T482-L486 HydrophobicContact CG2-CD1 4.44Å; T482-L486 WeakPolarHBondContact O-CG 3.5Å; T482-L486 PolarHBondContact O-N 3.37Å; T482-V512 HydrophobicContact CG2-CG1 4.41Å; T482-V512 HydrophobicContact CG2-CG2 4.29Å; T482-I515 HydrophobicContact CG2-CB 4.04Å; T482-I515 HydrophobicContact CG2-CD1 3.85Å; T482-I515 HydrophobicContact CG2-CG2 3.79Å
483	M	92.9	Very high	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-45.4	175.5	-179.3	173.2	-85.8	0	0	111.3	W404 L444 C479 Y480 L486 L487 L503 V508 V512	W404-M483 HydrophobicContact CH2-CE 4.43Å; W404-M483 HydrophobicContact CZ2-CE 3.69Å; W404-M483 HydrophobicContact CZ2-SD 4.32Å; L444-M483 HydrophobicContact CD1-CG 4.14Å; L444-M483 HydrophobicContact CD2-CG 4.13Å; L444-M483 HydrophobicContact CD2-SD 3.71Å; C479-M483 VanDerWaalsContact O-CB 3.31Å; C479-M483 WeakPolarHBondContact O-CB 3.37Å; C479-M483 PolarHBondContact O-N 3.33Å; Y480-M483 WeakPolarHBondContact O-CB 3.31Å; Y480-M483 PolarHBondContact O-N 3.16Å; M483-L486 PolarHBondContact O-N 3.41Å; M483-L487 HydrophobicContact CG-CD1 3.95Å; M483-L487 WeakPolarHBondContact O-CD1 3.26Å; M483-L487 VanDerWaalsContact O-CG 3.28Å; M483-L487 WeakPolarHBondContact O-CG 3.44Å; M483-L487 PolarHBondContact O-N 3.26Å; M483-L487 VanDerWaalsContact O-N 3.14Å; M483-L503 HydrophobicContact SD-CD2 4.48Å; M483-V508 HydrophobicContact CE-CG1 3.84Å; M483-V508 HydrophobicContact CG-CG1 3.81Å; M483-V512 HydrophobicContact CB-CG2 3.81Å; M483-V512 HydrophobicContact CE-CG2 4.49Å; M483-V512 HydrophobicContact CG-CG2 4.49Å
484	Q	91.7	Very high	85.7	Confident	31 Å²	31	49.7 Å²	49.7	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-49.1	176.4	178.7	178.5	68.6	0	0	112.1	L444 N445 Y480 E481 T482 L486 L487 M488	L444-Q484 HydrophobicContact CB-CB 4.38Å; L444-Q484 HydrophobicContact CD1-CB 3.96Å; N445-Q484 PolarHBondContact OD1-NE2 2.82Å; Y480-Q484 PolarHBondContact O-N 3.24Å; E481-Q484 PolarHBondContact O-N 3.36Å; T482-Q484 VanDerWaalsContact C-N 3.3Å; T482-Q484 PolarHBondContact O-N 2.96Å; Q484-L486 VanDerWaalsContact C-N 3.29Å; Q484-L486 PolarHBondContact O-N 2.9Å; Q484-L487 PolarHBondContact O-N 3.42Å; Q484-M488 HydrophobicContact CG-SD 4.08Å; Q484-M488 WeakPolarHBondContact O-CG 3.15Å; Q484-M488 PolarHBondContact O-N 3.41Å; Q484-M488 VanDerWaalsContact O-N 3.1Å
485	K	90.9	Very high	84.3	Confident	110 Å²	110	52.8 Å²	52.8	48%	0.478	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-38.8	178.9	-73.5	171.9	-174.3	167.1	0	112.3	E481 T482	E481-K485 WeakPolarHBondContact O-CG 3.38Å; E481-K485 PolarHBondContact O-N 2.84Å; E481-K485 WeakPolarHBondContact OE1-CE 3.43Å; E481-K485 IonicContact OE1-NZ 3.76Å; E481-K485 PolarHBondContact OE1-NZ 3.19Å; T482-K485 PolarHBondContact O-N 3.22Å
486	L	89.8	Confident	83.2	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-45	176.4	-71.1	179.3	0	0	0	111.8	T482 M483 Q484 M488 K489 E511 V512 I515	T482-L486 HydrophobicContact CG2-CD1 4.44Å; T482-L486 WeakPolarHBondContact O-CG 3.5Å; T482-L486 PolarHBondContact O-N 3.37Å; M483-L486 PolarHBondContact O-N 3.41Å; Q484-L486 VanDerWaalsContact C-N 3.29Å; Q484-L486 PolarHBondContact O-N 2.9Å; L486-M488 VanDerWaalsContact C-N 3.31Å; L486-M488 PolarHBondContact O-N 3.36Å; L486-K489 HydrophobicContact CD2-CD 4.48Å; L486-K489 WeakPolarHBondContact O-CB 3.35Å; L486-K489 PolarHBondContact O-N 2.99Å; L486-E511 HydrophobicContact CD1-CB 3.91Å; L486-E511 HydrophobicContact CD1-CG 3.67Å; L486-E511 HydrophobicContact CD2-CG 4.19Å; L486-E511 WeakPolarHBondContact CD2-OE1 3.49Å; L486-V512 HydrophobicContact CD1-CG2 3.78Å; L486-I515 HydrophobicContact CD1-CD1 4.12Å; L486-I515 HydrophobicContact CD2-CD1 3.83Å; L486-I515 HydrophobicContact CG-CD1 4.27Å
487	L	86.7	Confident	82.2	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-25.7	-177.2	-66.6	162.9	0	0	0	113.4	L444 M483 Q484 K489 T493 T494 Q497 V502 V508	L444-L487 HydrophobicContact CD1-CD1 3.48Å; L444-L487 VanDerWaalsContact CD1-CD1 3.48Å; M483-L487 HydrophobicContact CG-CD1 3.95Å; M483-L487 WeakPolarHBondContact O-CD1 3.26Å; M483-L487 VanDerWaalsContact O-CG 3.28Å; M483-L487 WeakPolarHBondContact O-CG 3.44Å; M483-L487 PolarHBondContact O-N 3.26Å; M483-L487 VanDerWaalsContact O-N 3.14Å; Q484-L487 PolarHBondContact O-N 3.42Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 2.87Å; L487-T493 CarbonylContact O-C 3.5Å; L487-T493 WeakPolarHBondContact O-CB 3.46Å; L487-T493 PolarHBondContact O-OG1 3.04Å; L487-T494 PolarHBondContact O-N 2.93Å; L487-T494 PolarHBondContact O-OG1 2.94Å; L487-Q497 HydrophobicContact CB-CG 4.33Å; L487-Q497 HydrophobicContact CD1-CG 4.33Å; L487-V502 HydrophobicContact CD1-CG2 3.34Å; L487-V502 HydrophobicContact CD2-CG2 4.03Å; L487-V502 HydrophobicContact CG-CG2 4.32Å; L487-V508 HydrophobicContact CD2-CG2 4.29Å
488	M	84.9	Confident	81.4	Confident	120 Å²	120	57.3 Å²	57.3	59%	0.591	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.5	175.5	-68.9	-179.9	75.6	0	0	113.7	Q484 L486 S490	Q484-M488 HydrophobicContact CG-SD 4.08Å; Q484-M488 WeakPolarHBondContact O-CG 3.15Å; Q484-M488 PolarHBondContact O-N 3.41Å; Q484-M488 VanDerWaalsContact O-N 3.1Å; L486-M488 VanDerWaalsContact C-N 3.31Å; L486-M488 PolarHBondContact O-N 3.36Å; M488-S490 VanDerWaalsContact C-N 3.29Å; M488-S490 PolarHBondContact O-N 2.91Å
489	K	82.6	Confident	81	Confident	156 Å²	156	58 Å²	58	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.1	-179.9	-68.4	177.2	-177.4	174	0	113.8	L486 L487	L486-K489 HydrophobicContact CD2-CD 4.48Å; L486-K489 WeakPolarHBondContact O-CB 3.35Å; L486-K489 PolarHBondContact O-N 2.99Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 2.87Å
490	S	70.8	Confident	80.7	Confident	41 Å²	41	60 Å²	60	29%	0.287	31%	0.308	S	S	.	.	S	Bend	trans	-134.2	140.3	177.2	170.2	0	0	0	0	111.8	M488 E492 T493 T494	M488-S490 VanDerWaalsContact C-N 3.29Å; M488-S490 PolarHBondContact O-N 2.91Å; S490-E492 VanDerWaalsContact C-N 3.29Å; S490-E492 PolarHBondContact O-N 3.48Å; S490-E492 PolarHBondContact OG-N 2.96Å; S490-T493 VanDerWaalsContact CB-OG1 3.32Å; S490-T493 WeakPolarHBondContact CB-OG1 3.48Å; S490-T493 PolarHBondContact N-OG1 2.86Å; S490-T493 PolarHBondContact O-N 3.44Å; S490-T493 PolarHBondContact O-OG1 3.46Å; S490-T494 PolarHBondContact O-N 3.05Å; S490-T494 PolarHBondContact O-OG1 2.95Å
491	P	66.8	Low	80.4	Confident	113 Å²	113	68.3 Å²	68.3	73%	0.734	34%	0.34	S	S	*	.	H	α-helix	trans	-59.5	-39	175.3	-21	31.3	0	0	0	112.7	T493 T494	P491-T493 VanDerWaalsContact C-N 3.29Å; P491-T493 PolarHBondContact O-N 2.66Å; P491-T494 PolarHBondContact O-N 2.97Å
492	E	67.2	Low	80.1	Confident	168 Å²	168	65.9 Å²	65.9	79%	0.785	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-34.2	179.9	-65.2	-179.1	-179.4	0	0	111.8	S490	S490-E492 VanDerWaalsContact C-N 3.29Å; S490-E492 PolarHBondContact O-N 3.48Å; S490-E492 PolarHBondContact OG-N 2.96Å
493	T	66	Low	80	Confident	37 Å²	37	65.4 Å²	65.4	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-82.5	-24.3	177	52.1	0	0	0	0	112.8	L487 S490 P491 A495 K496	L487-T493 CarbonylContact O-C 3.5Å; L487-T493 WeakPolarHBondContact O-CB 3.46Å; L487-T493 PolarHBondContact O-OG1 3.04Å; S490-T493 VanDerWaalsContact CB-OG1 3.32Å; S490-T493 WeakPolarHBondContact CB-OG1 3.48Å; S490-T493 PolarHBondContact N-OG1 2.86Å; S490-T493 PolarHBondContact O-N 3.44Å; S490-T493 PolarHBondContact O-OG1 3.46Å; P491-T493 VanDerWaalsContact C-N 3.29Å; P491-T493 PolarHBondContact O-N 2.66Å; T493-A495 VanDerWaalsContact C-N 3.32Å; T493-A495 PolarHBondContact O-N 3.13Å; T493-K496 VanDerWaalsContact O-CB 3.3Å; T493-K496 WeakPolarHBondContact O-CB 3.18Å; T493-K496 PolarHBondContact O-N 3.38Å; T493-K496 VanDerWaalsContact O-N 3.09Å
494	T	63.1	Low	79.8	Confident	50 Å²	50	68.8 Å²	68.8	31%	0.307	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-38.2	179.2	-58.3	0	0	0	0	111.3	L487 S490 P491 K496 Q497	L487-T494 PolarHBondContact O-N 2.93Å; L487-T494 PolarHBondContact O-OG1 2.94Å; S490-T494 PolarHBondContact O-N 3.05Å; S490-T494 PolarHBondContact O-OG1 2.95Å; P491-T494 PolarHBondContact O-N 2.97Å; T494-K496 PolarHBondContact O-N 3.42Å; T494-Q497 WeakPolarHBondContact O-CB 3.15Å; T494-Q497 WeakPolarHBondContact O-CG 3.48Å; T494-Q497 PolarHBondContact O-N 2.86Å; T494-Q497 VanDerWaalsContact O-N 3.12Å
495	A	64.2	Low	79.8	Confident	69 Å²	69	68.9 Å²	68.9	57%	0.57	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.8	175.2	0	0	0	0	0	113.3	T493 Q497	T493-A495 VanDerWaalsContact C-N 3.32Å; T493-A495 PolarHBondContact O-N 3.13Å; A495-Q497 PolarHBondContact O-N 3.32Å
496	K	70.2	Confident	79.7	Confident	83 Å²	83	68 Å²	68	36%	0.361	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-68.9	-15.3	177.1	-61.7	-175.9	173.1	-175.4	0	113.2	T493 T494 Y498 D499 V502 D505	T493-K496 VanDerWaalsContact O-CB 3.3Å; T493-K496 WeakPolarHBondContact O-CB 3.18Å; T493-K496 PolarHBondContact O-N 3.38Å; T493-K496 VanDerWaalsContact O-N 3.09Å; T494-K496 PolarHBondContact O-N 3.42Å; K496-Y498 PolarHBondContact O-N 3.43Å; K496-Y498 VanDerWaalsContact O-N 3.16Å; K496-D499 PolarHBondContact O-N 3.1Å; K496-V502 HydrophobicContact CB-CG2 4.37Å; K496-V502 WeakPolarHBondContact O-CB 3.13Å; K496-D505 IonicContact NZ-OD2 2.66Å
497	Q	72.6	Confident	79.7	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.047	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20	179.8	-66.9	-174.9	-4.1	0	0	113.7	N442 I443 L444 L487 T494 A495	N442-Q497 PolarHBondContact ND2-OE1 2.83Å; I443-Q497 PolarHBondContact N-O 3.34Å; L444-Q497 HydrophobicContact CD1-CG 4.3Å; L487-Q497 HydrophobicContact CB-CG 4.33Å; L487-Q497 HydrophobicContact CD1-CG 4.33Å; T494-Q497 WeakPolarHBondContact O-CB 3.15Å; T494-Q497 WeakPolarHBondContact O-CG 3.48Å; T494-Q497 PolarHBondContact O-N 2.86Å; T494-Q497 VanDerWaalsContact O-N 3.12Å; A495-Q497 PolarHBondContact O-N 3.32Å
498	Y	78.5	Confident	79.9	Confident	102 Å²	102	72.8 Å²	72.8	40%	0.4	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-91.4	-9.6	176.2	-57.6	-80.1	0	0	0	112.9	K440 A441 N442 K496	K440-Y498 WeakPolarHBondContact O-CE1 3.32Å; A441-Y498 WeakPolarHBondContact O-CD1 3.05Å; N442-Y498 HydrophobicContact CB-CE1 4.44Å; K496-Y498 PolarHBondContact O-N 3.43Å; K496-Y498 VanDerWaalsContact O-N 3.16Å
499	D	85.7	Confident	80.2	Confident	43 Å²	43	68.4 Å²	68.4	23%	0.23	36%	0.362	C	S	.	.	S	Bend	trans	-100.8	121.1	-177.9	-172.1	-19.7	0	0	0	110.5	K496 R501 V502	K496-D499 PolarHBondContact O-N 3.1Å; D499-R501 PolarHBondContact O-N 2.97Å; D499-R501 WeakPolarHBondContact OD1-CB 3.41Å; D499-R501 WeakPolarHBondContact OD1-CG 3.38Å; D499-R501 PolarHBondContact OD1-N 3.3Å; D499-R501 IonicContact OD1-NE 3.1Å; D499-R501 PolarHBondContact OD1-NE 3.08Å; D499-R501 IonicContact OD2-CZ 3.71Å; D499-R501 IonicContact OD2-NE 2.72Å; D499-R501 PolarHBondContact OD2-NE 3.21Å; D499-R501 IonicContact OD2-NH2 3.08Å; D499-R501 PolarHBondContact OD2-NH2 3.11Å; D499-V502 VanDerWaalsContact O-CB 3.28Å; D499-V502 WeakPolarHBondContact O-CB 3.42Å; D499-V502 WeakPolarHBondContact O-CG1 3.28Å; D499-V502 PolarHBondContact O-N 2.87Å
500	I	88.5	Confident	80.8	Confident	43 Å²	43	67.3 Å²	67.3	22%	0.221	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-47.7	-31.3	174.3	-172.4	171.7	0	0	0	113.8	A412 K416 F419 I443 V502 L503	A412-I500 HydrophobicContact CB-CD1 4.29Å; A412-I500 HydrophobicContact CB-CG1 4.15Å; A412-I500 WeakPolarHBondContact O-CD1 3.3Å; K416-I500 HydrophobicContact CB-CD1 3.92Å; F419-I500 HydrophobicContact CE2-CB 4.38Å; I443-I500 VanDerWaalsContact CD1-CA 3.49Å; I443-I500 HydrophobicContact CD1-CB 4.18Å; I500-V502 PolarHBondContact O-N 2.7Å; I500-V502 VanDerWaalsContact O-N 3.08Å; I500-L503 PolarHBondContact O-N 2.94Å; I500-L503 VanDerWaalsContact O-N 3.1Å
501	R	88.3	Confident	81.8	Confident	175 Å²	175	69.2 Å²	69.2	66%	0.66	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.6	-21.4	179.5	-68.4	-179.7	-70.2	-171.5	-0.1	113	D499 L503 T504 D505	D499-R501 PolarHBondContact O-N 2.97Å; D499-R501 WeakPolarHBondContact OD1-CB 3.41Å; D499-R501 WeakPolarHBondContact OD1-CG 3.38Å; D499-R501 PolarHBondContact OD1-N 3.3Å; D499-R501 IonicContact OD1-NE 3.1Å; D499-R501 PolarHBondContact OD1-NE 3.08Å; D499-R501 IonicContact OD2-CZ 3.71Å; D499-R501 IonicContact OD2-NE 2.72Å; D499-R501 PolarHBondContact OD2-NE 3.21Å; D499-R501 IonicContact OD2-NH2 3.08Å; D499-R501 PolarHBondContact OD2-NH2 3.11Å; R501-L503 PolarHBondContact O-N 3.08Å; R501-T504 CarbonylContact O-C 3.44Å; R501-T504 PolarHBondContact O-N 2.99Å; R501-T504 PolarHBondContact O-OG1 2.8Å; R501-D505 PolarHBondContact O-N 2.86Å; R501-D505 VanDerWaalsContact O-N 3.08Å
502	V	87.5	Confident	83.1	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-57.7	-35	175.5	78.1	0	0	0	0	112.7	L487 K496 D499 I500 T504 D505	L487-V502 HydrophobicContact CD1-CG2 3.34Å; L487-V502 HydrophobicContact CD2-CG2 4.03Å; L487-V502 HydrophobicContact CG-CG2 4.32Å; K496-V502 HydrophobicContact CB-CG2 4.37Å; K496-V502 WeakPolarHBondContact O-CB 3.13Å; D499-V502 VanDerWaalsContact O-CB 3.28Å; D499-V502 WeakPolarHBondContact O-CB 3.42Å; D499-V502 WeakPolarHBondContact O-CG1 3.28Å; D499-V502 PolarHBondContact O-N 2.87Å; I500-V502 PolarHBondContact O-N 2.7Å; I500-V502 VanDerWaalsContact O-N 3.08Å; V502-T504 PolarHBondContact O-N 3.46Å; V502-D505 PolarHBondContact O-N 3.02Å
503	L	91.9	Very high	84.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20.9	177.9	-63.3	178.3	0	0	0	112.4	K408 A411 A412 Y415 I443 L444 Y480 M483 I500 R501	K408-L503 VanDerWaalsContact CD-O 3.28Å; K408-L503 WeakPolarHBondContact CD-O 3.39Å; K408-L503 WeakPolarHBondContact CG-O 3.48Å; K408-L503 PolarHBondContact NZ-O 3.26Å; A411-L503 HydrophobicContact CB-CD1 4.12Å; A412-L503 HydrophobicContact CB-CB 4.29Å; A412-L503 HydrophobicContact CB-CD1 4.07Å; Y415-L503 HydrophobicContact CD2-CD1 4.07Å; Y415-L503 HydrophobicContact CE2-CD1 4.45Å; I443-L503 HydrophobicContact CG2-CD1 3.76Å; I443-L503 HydrophobicContact CG2-CD2 3.98Å; I443-L503 HydrophobicContact CG2-CG 3.93Å; L444-L503 HydrophobicContact CD2-CD2 4.16Å; Y480-L503 HydrophobicContact CE1-CD2 3.8Å; M483-L503 HydrophobicContact SD-CD2 4.48Å; I500-L503 PolarHBondContact O-N 2.94Å; I500-L503 VanDerWaalsContact O-N 3.1Å; R501-L503 PolarHBondContact O-N 3.08Å
504	T	88.7	Confident	85.6	Confident	71 Å²	71	61.3 Å²	61.3	44%	0.436	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-110.9	5.4	-176.5	55.7	0	0	0	0	113.5	A412 R501 V502 P506	A412-T504 HydrophobicContact CB-CG2 4.36Å; R501-T504 CarbonylContact O-C 3.44Å; R501-T504 PolarHBondContact O-N 2.99Å; R501-T504 PolarHBondContact O-OG1 2.8Å; V502-T504 PolarHBondContact O-N 3.46Å; T504-P506 VanDerWaalsContact O-CD 3.27Å; T504-P506 WeakPolarHBondContact O-CD 3.43Å
505	D	90.2	Very high	86.9	Confident	32 Å²	32	61.2 Å²	61.2	17%	0.171	31%	0.31	C	S	.	.			trans	-70.9	113.2	179.3	-170.7	-39.3	0	0	0	109.9	K496 R501 V502 V507 V508 E509	K496-D505 IonicContact NZ-OD2 2.66Å; R501-D505 PolarHBondContact O-N 2.86Å; R501-D505 VanDerWaalsContact O-N 3.08Å; V502-D505 PolarHBondContact O-N 3.02Å; D505-V507 VanDerWaalsContact C-N 3.27Å; D505-V507 PolarHBondContact O-N 3.36Å; D505-V507 WeakPolarHBondContact OD1-CB 3.42Å; D505-V507 PolarHBondContact OD1-N 3.46Å; D505-V508 HydrophobicContact CB-CB 4.11Å; D505-V508 HydrophobicContact CB-CG2 3.98Å; D505-V508 PolarHBondContact O-N 3.29Å; D505-V508 PolarHBondContact OD1-N 2.93Å; D505-E509 WeakPolarHBondContact O-CB 3.29Å; D505-E509 PolarHBondContact O-N 3.21Å
506	P	89.9	Confident	88.1	Confident	93 Å²	93	58 Å²	58	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-70.1	-24.6	-175	28.9	-35.1	0	0	0	112.7	T504 K510	T504-P506 VanDerWaalsContact O-CD 3.27Å; T504-P506 WeakPolarHBondContact O-CD 3.43Å; P506-K510 WeakPolarHBondContact O-CB 3.5Å; P506-K510 PolarHBondContact O-N 3.44Å; P506-K510 VanDerWaalsContact O-N 3.12Å
507	V	90.3	Very high	88.8	Confident	104 Å²	104	61.5 Å²	61.5	63%	0.63	30%	0.301	S	S	*	.	H	α-helix	trans	-73	-48.3	178.2	-179.2	0	0	0	0	109.2	D505 K510 E511	D505-V507 VanDerWaalsContact C-N 3.27Å; D505-V507 PolarHBondContact O-N 3.36Å; D505-V507 WeakPolarHBondContact OD1-CB 3.42Å; D505-V507 PolarHBondContact OD1-N 3.46Å; V507-K510 PolarHBondContact O-N 3.03Å; V507-E511 PolarHBondContact O-N 3.22Å; V507-E511 VanDerWaalsContact O-N 3.11Å
508	V	90.1	Very high	89.6	Confident	15 Å²	15	65.6 Å²	65.6	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177.6	-178.6	0	0	0	0	110.7	M483 L487 D505 K510 E511 V512	M483-V508 HydrophobicContact CE-CG1 3.84Å; M483-V508 HydrophobicContact CG-CG1 3.81Å; L487-V508 HydrophobicContact CD2-CG2 4.29Å; D505-V508 HydrophobicContact CB-CB 4.11Å; D505-V508 HydrophobicContact CB-CG2 3.98Å; D505-V508 PolarHBondContact O-N 3.29Å; D505-V508 PolarHBondContact OD1-N 2.93Å; V508-K510 VanDerWaalsContact C-N 3.33Å; V508-K510 PolarHBondContact O-N 3.06Å; V508-E511 PolarHBondContact O-N 3.19Å; V508-V512 HydrophobicContact CG1-CG2 4.31Å; V508-V512 VanDerWaalsContact O-CG2 3.24Å; V508-V512 WeakPolarHBondContact O-CG2 3.42Å; V508-V512 PolarHBondContact O-N 3.46Å
509	E	92.1	Very high	89.7	Confident	29 Å²	29	65 Å²	65	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-46.4	175.6	172.9	172.1	-153	0	0	112.2	T405 K408 D505 V512 L513	T405-E509 VanDerWaalsContact CB-OE1 3.27Å; T405-E509 WeakPolarHBondContact CB-OE1 3.31Å; T405-E509 VanDerWaalsContact CG2-OE1 3.27Å; T405-E509 WeakPolarHBondContact CG2-OE1 3.49Å; T405-E509 PolarHBondContact OG1-OE1 3.25Å; K408-E509 WeakPolarHBondContact CE-OE1 3.42Å; K408-E509 WeakPolarHBondContact CE-OE2 3.31Å; K408-E509 IonicContact NZ-OE1 2.71Å; K408-E509 PolarHBondContact NZ-OE1 3.08Å; K408-E509 IonicContact NZ-OE2 3.05Å; K408-E509 PolarHBondContact NZ-OE2 3.11Å; D505-E509 WeakPolarHBondContact O-CB 3.29Å; D505-E509 PolarHBondContact O-N 3.21Å; E509-V512 PolarHBondContact O-N 2.91Å; E509-L513 HydrophobicContact CG-CD1 4.04Å; E509-L513 WeakPolarHBondContact O-CG 3.27Å; E509-L513 PolarHBondContact O-N 3.42Å
510	K	93.5	Very high	88.8	Confident	133 Å²	133	64.3 Å²	64.3	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-61.2	-46.7	179.5	-175.2	-178.5	173.9	-168.1	0	111.5	P506 V507 V508 V512 L513 E514	P506-K510 WeakPolarHBondContact O-CB 3.5Å; P506-K510 PolarHBondContact O-N 3.44Å; P506-K510 VanDerWaalsContact O-N 3.12Å; V507-K510 PolarHBondContact O-N 3.03Å; V508-K510 VanDerWaalsContact C-N 3.33Å; V508-K510 PolarHBondContact O-N 3.06Å; K510-V512 VanDerWaalsContact C-N 3.35Å; K510-V512 PolarHBondContact O-N 3.27Å; K510-L513 PolarHBondContact O-N 2.91Å; K510-E514 WeakPolarHBondContact CE-OE1 3.4Å; K510-E514 IonicContact NZ-OE1 2.7Å; K510-E514 WeakPolarHBondContact O-CG 3.22Å; K510-E514 PolarHBondContact O-N 2.86Å
511	E	93	Very high	87.7	Confident	80 Å²	80	71 Å²	71	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-39	179.2	-168.6	178.3	176	0	0	112	L486 V507 V508 E514 I515	L486-E511 HydrophobicContact CD1-CB 3.91Å; L486-E511 HydrophobicContact CD1-CG 3.67Å; L486-E511 HydrophobicContact CD2-CG 4.19Å; L486-E511 WeakPolarHBondContact CD2-OE1 3.49Å; V507-E511 PolarHBondContact O-N 3.22Å; V507-E511 VanDerWaalsContact O-N 3.11Å; V508-E511 PolarHBondContact O-N 3.19Å; E511-E514 PolarHBondContact O-N 3.46Å; E511-I515 HydrophobicContact CG-CD1 4.21Å; E511-I515 VanDerWaalsContact O-CG1 3.29Å; E511-I515 WeakPolarHBondContact O-CG1 3.28Å; E511-I515 PolarHBondContact O-N 3.3Å
512	V	93	Very high	86	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-45.3	174.5	170.4	0	0	0	0	111.3	W404 C479 T482 M483 L486 V508 E509 K510 I515 A516	W404-V512 HydrophobicContact CZ2-CG1 4.35Å; C479-V512 HydrophobicContact CB-CG1 3.71Å; T482-V512 HydrophobicContact CG2-CG1 4.41Å; T482-V512 HydrophobicContact CG2-CG2 4.29Å; M483-V512 HydrophobicContact CB-CG2 3.81Å; M483-V512 HydrophobicContact CE-CG2 4.49Å; M483-V512 HydrophobicContact CG-CG2 4.49Å; L486-V512 HydrophobicContact CD1-CG2 3.78Å; V508-V512 HydrophobicContact CG1-CG2 4.31Å; V508-V512 VanDerWaalsContact O-CG2 3.24Å; V508-V512 WeakPolarHBondContact O-CG2 3.42Å; V508-V512 PolarHBondContact O-N 3.46Å; E509-V512 PolarHBondContact O-N 2.91Å; K510-V512 VanDerWaalsContact C-N 3.35Å; K510-V512 PolarHBondContact O-N 3.27Å; V512-I515 PolarHBondContact O-N 2.86Å; V512-A516 WeakPolarHBondContact O-CB 3.39Å; V512-A516 PolarHBondContact O-N 3.37Å
513	L	92.3	Very high	84.2	Confident	50 Å²	50	71.7 Å²	71.7	26%	0.262	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-41.4	179.6	-72.5	174	0	0	0	112.1	W404 E509 K510 I515 A516 E517	W404-L513 HydrophobicContact CG-CD2 4.41Å; E509-L513 HydrophobicContact CG-CD1 4.04Å; E509-L513 WeakPolarHBondContact O-CG 3.27Å; E509-L513 PolarHBondContact O-N 3.42Å; K510-L513 PolarHBondContact O-N 2.91Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.17Å; L513-A516 PolarHBondContact O-N 3.02Å; L513-E517 WeakPolarHBondContact O-CB 3.3Å; L513-E517 WeakPolarHBondContact O-CG 3.39Å; L513-E517 PolarHBondContact O-N 2.94Å
514	E	93.4	Very high	82.7	Confident	103 Å²	103	73.2 Å²	73.2	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-42.4	175.3	-74.3	175.8	172.2	0	0	111.6	K510 E511 S518	K510-E514 WeakPolarHBondContact CE-OE1 3.4Å; K510-E514 IonicContact NZ-OE1 2.7Å; K510-E514 WeakPolarHBondContact O-CG 3.22Å; K510-E514 PolarHBondContact O-N 2.86Å; E511-E514 PolarHBondContact O-N 3.46Å; E514-S518 WeakPolarHBondContact O-CB 2.99Å; E514-S518 PolarHBondContact O-N 3.2Å
515	I	91.8	Very high	81.1	Confident	48 Å²	48	79.2 Å²	79.2	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-64.7	-45	175	-68.9	168.5	0	0	0	110.5	F478 T482 L486 E511 V512 L513 E517 S518 M519	F478-I515 HydrophobicContact CZ-CG2 4.44Å; T482-I515 HydrophobicContact CG2-CB 4.04Å; T482-I515 HydrophobicContact CG2-CD1 3.85Å; T482-I515 HydrophobicContact CG2-CG2 3.79Å; L486-I515 HydrophobicContact CD1-CD1 4.12Å; L486-I515 HydrophobicContact CD2-CD1 3.83Å; L486-I515 HydrophobicContact CG-CD1 4.27Å; E511-I515 HydrophobicContact CG-CD1 4.21Å; E511-I515 VanDerWaalsContact O-CG1 3.29Å; E511-I515 WeakPolarHBondContact O-CG1 3.28Å; E511-I515 PolarHBondContact O-N 3.3Å; V512-I515 PolarHBondContact O-N 2.86Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.17Å; I515-E517 PolarHBondContact O-N 3.17Å; I515-S518 PolarHBondContact O-N 3.23Å; I515-S518 PolarHBondContact O-OG 3.04Å; I515-M519 PolarHBondContact O-N 3.37Å
516	A	88	Confident	79.2	Confident	1 Å²	1	80 Å²	80	1%	0.008	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-46.1	178.5	0	0	0	0	0	111.7	F475 F478 V512 L513 S518 M519 G520 Y524	F475-A516 HydrophobicContact CE2-CB 3.8Å; F475-A516 HydrophobicContact CZ-CB 4.06Å; F478-A516 HydrophobicContact CD1-CB 4.33Å; F478-A516 HydrophobicContact CE1-CB 3.82Å; V512-A516 WeakPolarHBondContact O-CB 3.39Å; V512-A516 PolarHBondContact O-N 3.37Å; L513-A516 PolarHBondContact O-N 3.02Å; A516-S518 VanDerWaalsContact C-N 3.28Å; A516-S518 PolarHBondContact O-N 2.58Å; A516-M519 PolarHBondContact O-N 2.72Å; A516-G520 PolarHBondContact O-N 3.2Å; A516-Y524 PolarHBondContact O-OH 2.84Å
517	E	86.7	Confident	77.4	Confident	156 Å²	156	79 Å²	79	73%	0.729	40%	0.403	S	S	*	.	H	α-helix	trans	-58.2	-40.4	175.2	-74.7	178.8	-173.5	0	0	112.1	L513 I515 M519 G520	L513-E517 WeakPolarHBondContact O-CB 3.3Å; L513-E517 WeakPolarHBondContact O-CG 3.39Å; L513-E517 PolarHBondContact O-N 2.94Å; I515-E517 PolarHBondContact O-N 3.17Å; E517-M519 VanDerWaalsContact C-N 3.3Å; E517-M519 PolarHBondContact O-N 3.19Å; E517-G520 PolarHBondContact O-N 3.34Å
518	S	87.7	Confident	75.5	Confident	96 Å²	96	77.2 Å²	77.2	67%	0.671	40%	0.399	S	S	*	.	H	α-helix	trans	-65.7	-28.1	179.1	79.9	0	0	0	0	114.3	E514 I515 A516	E514-S518 WeakPolarHBondContact O-CB 2.99Å; E514-S518 PolarHBondContact O-N 3.2Å; I515-S518 PolarHBondContact O-N 3.23Å; I515-S518 PolarHBondContact O-OG 3.04Å; A516-S518 VanDerWaalsContact C-N 3.28Å; A516-S518 PolarHBondContact O-N 2.58Å
519	M	80.7	Confident	73.1	Confident	89 Å²	89	81.1 Å²	81.1	44%	0.438	43%	0.428	S	S	.	.	H	α-helix	trans	-83	-21.5	179.7	-67.2	-168.4	74	0	0	112.8	F478 I515 A516 E517 C523	F478-M519 HydrophobicContact CE1-SD 4.44Å; F478-M519 HydrophobicContact CE2-CE 4.21Å; F478-M519 HydrophobicContact CE2-SD 3.5Å; F478-M519 VanDerWaalsContact CE2-SD 3.5Å; F478-M519 HydrophobicContact CZ-CG 4.4Å; F478-M519 HydrophobicContact CZ-SD 3.27Å; F478-M519 WeakPolarHBondContact CZ-SD 3.37Å; I515-M519 PolarHBondContact O-N 3.37Å; A516-M519 PolarHBondContact O-N 2.72Å; E517-M519 VanDerWaalsContact C-N 3.3Å; E517-M519 PolarHBondContact O-N 3.19Å; M519-C523 HydrophobicContact CB-CB 4.47Å; M519-C523 PolarHBondContact O-SG 3.2Å
520	G	68.3	Low	70.7	Confident	29 Å²	29	87.9 Å²	87.9	30%	0.299	46%	0.457	S	S	.	.			trans	74.6	164.6	-179.7	0	0	0	0	0	114.4	A516 E517 T522 Y524	A516-G520 PolarHBondContact O-N 3.2Å; E517-G520 PolarHBondContact O-N 3.34Å; G520-T522 VanDerWaalsContact C-N 3.25Å; G520-T522 PolarHBondContact O-N 3.33Å; G520-Y524 WeakPolarHBondContact O-CE2 3.35Å
521	Q	63.9	Low	68.1	Low	185 Å²	185	88.8 Å²	88.8	86%	0.864	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.1	-171	-71	-177.3	-11.3	0	0	115.4	C523 Y524	Q521-C523 VanDerWaalsContact C-N 3.33Å; Q521-C523 PolarHBondContact O-N 3.21Å; Q521-Y524 WeakPolarHBondContact O-CD2 3.49Å
522	T	53	Low	65.2	Low	126 Å²	126	89.6 Å²	89.6	77%	0.773	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-79	-11.2	-172.4	43.3	0	0	0	0	114.3	G520	G520-T522 VanDerWaalsContact C-N 3.25Å; G520-T522 PolarHBondContact O-N 3.33Å
523	C	50.6	Low	62	Low	66 Å²	66	95.2 Å²	95.2	45%	0.446	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-86.4	-13.9	-173.6	-62.8	0	0	0	0	114.9	M519 Q521 R525	M519-C523 HydrophobicContact CB-CB 4.47Å; M519-C523 PolarHBondContact O-SG 3.2Å; Q521-C523 VanDerWaalsContact C-N 3.33Å; Q521-C523 PolarHBondContact O-N 3.21Å; C523-R525 VanDerWaalsContact C-N 3.3Å; C523-R525 PolarHBondContact O-N 2.72Å
524	Y	60.6	Low	59.1	Low	31 Å²	31	102.5 Å²	102.5	12%	0.122	56%	0.561	C	S	.	*			trans	-86	18.5	-167.3	-48	-57	0	0	0	115.3	C474 F475 F478 A516 G520 Q521 Y526	C474-Y524 WeakPolarHBondContact CB-O 3.49Å; F475-Y524 HydrophobicContact CB-CG 4.41Å; F475-Y524 HydrophobicContact CD2-CD1 4.05Å; F475-Y524 AromaticContact CD2-CD2 3.85Å; F475-Y524 HydrophobicContact CD2-CD2 3.85Å; F475-Y524 AromaticContact CD2-CE1 3.76Å; F475-Y524 HydrophobicContact CD2-CE1 3.76Å; F475-Y524 AromaticContact CD2-CE2 3.5Å; F475-Y524 HydrophobicContact CD2-CE2 3.5Å; F475-Y524 HydrophobicContact CD2-CG 4.1Å; F475-Y524 AromaticContact CD2-CZ 3.49Å; F475-Y524 VanDerWaalsContact CD2-CZ 3.49Å; F475-Y524 HydrophobicContact CE2-CE1 4.15Å; F475-Y524 AromaticContact CE2-CE2 3.94Å; F475-Y524 HydrophobicContact CE2-CE2 3.94Å; F475-Y524 AromaticContact CE2-CZ 3.66Å; F478-Y524 HydrophobicContact CB-CD1 3.91Å; F478-Y524 HydrophobicContact CB-CE1 4.33Å; F478-Y524 AromaticContact CD1-CD1 3.97Å; F478-Y524 HydrophobicContact CD1-CD1 3.97Å; F478-Y524 AromaticContact CD1-CE1 3.5Å; F478-Y524 HydrophobicContact CD1-CE1 3.5Å; F478-Y524 HydrophobicContact CD2-CD1 4.3Å; F478-Y524 HydrophobicContact CD2-CE1 4.32Å; F478-Y524 AromaticContact CE1-CE1 3.9Å; F478-Y524 HydrophobicContact CE1-CE1 3.9Å; F478-Y524 AromaticContact CG-CD1 3.77Å; F478-Y524 HydrophobicContact CG-CD1 3.77Å; F478-Y524 AromaticContact CG-CE1 3.76Å; F478-Y524 HydrophobicContact CG-CE1 3.76Å; F478-Y524 HydrophobicContact CZ-CE1 4.45Å; A516-Y524 PolarHBondContact O-OH 2.84Å; G520-Y524 WeakPolarHBondContact O-CE2 3.35Å; Q521-Y524 WeakPolarHBondContact O-CD2 3.49Å; Y524-Y526 PolarHBondContact O-N 3.45Å; Y524-Y526 VanDerWaalsContact O-N 3.17Å
525	R	54.3	Low	57.4	Low	198 Å²	198	102.5 Å²	102.5	75%	0.747	57%	0.565	S	S	*	*			trans	-76.7	107.8	178.5	-69.3	-173	-177.1	170.3	5.1	110.2	C523 D527	C523-R525 VanDerWaalsContact C-N 3.3Å; C523-R525 PolarHBondContact O-N 2.72Å; R525-D527 PolarHBondContact O-N 3.49Å
526	Y	51.3	Low	55.6	Low	47 Å²	47	105.4 Å²	105.4	18%	0.184	58%	0.581	C	S	.	*			trans	-63	123.5	167.9	177.9	-103.5	0	0	0	110	D452 L456 Y470 C474 Y524 A528	D452-Y526 WeakPolarHBondContact OD1-CE2 3.27Å; L456-Y526 HydrophobicContact CD1-CD1 4.22Å; L456-Y526 HydrophobicContact CD1-CD2 3.92Å; L456-Y526 HydrophobicContact CD1-CE1 4.45Å; L456-Y526 HydrophobicContact CD1-CE2 4.2Å; L456-Y526 HydrophobicContact CD1-CG 3.92Å; Y470-Y526 WeakPolarHBondContact OH-CD1 3.34Å; C474-Y526 VanDerWaalsContact SG-CB 3.55Å; Y524-Y526 PolarHBondContact O-N 3.45Å; Y524-Y526 VanDerWaalsContact O-N 3.17Å; Y526-A528 HydrophobicContact CE1-CB 4.02Å
527	D	51.9	Low	53.8	Low	73 Å²	73	111.2 Å²	111.2	39%	0.39	61%	0.613	S	S	.	*			trans	-107.2	102.4	176.3	-177.9	-3.6	0	0	0	108.8	R525 S529 K530	R525-D527 PolarHBondContact O-N 3.49Å; D527-S529 PolarHBondContact O-N 3.2Å; D527-S529 VanDerWaalsContact OD1-CB 3.3Å; D527-S529 WeakPolarHBondContact OD1-CB 2.89Å; D527-S529 PolarHBondContact OD1-N 3.42Å; D527-S529 PolarHBondContact OD1-OG 3.18Å; D527-S529 PolarHBondContact OD2-OG 2.68Å; D527-K530 HydrophobicContact CB-CD 4.28Å; D527-K530 HydrophobicContact CB-CG 4.25Å; D527-K530 PolarHBondContact O-N 3.37Å; D527-K530 VanDerWaalsContact O-N 3.13Å
528	A	48.8	Very low	51.8	Low	66 Å²	66	108.5 Å²	108.5	55%	0.545	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-59.9	-17.2	179.9	0	0	0	0	0	113.4	Y526	Y526-A528 HydrophobicContact CE1-CB 4.02Å
529	S	41	Very low	49.6	Very low	98 Å²	98	109.3 Å²	109.3	69%	0.685	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-80.8	-14.2	179.1	75.2	0	0	0	0	114.1	D527 K531	D527-S529 PolarHBondContact O-N 3.2Å; D527-S529 VanDerWaalsContact OD1-CB 3.3Å; D527-S529 WeakPolarHBondContact OD1-CB 2.89Å; D527-S529 PolarHBondContact OD1-N 3.42Å; D527-S529 PolarHBondContact OD1-OG 3.18Å; D527-S529 PolarHBondContact OD2-OG 2.68Å; S529-K531 VanDerWaalsContact C-N 3.29Å; S529-K531 PolarHBondContact O-N 3.18Å
530	K	40.6	Very low	47.5	Very low	171 Å²	171	110.7 Å²	110.7	74%	0.743	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-86.6	19.6	-179.3	-73.5	-173.6	-178.2	-179.6	0	114.9	D527 S532	D527-K530 HydrophobicContact CB-CD 4.28Å; D527-K530 HydrophobicContact CB-CG 4.25Å; D527-K530 PolarHBondContact O-N 3.37Å; D527-K530 VanDerWaalsContact O-N 3.13Å; K530-S532 PolarHBondContact O-N 3.32Å
531	K	40.2	Very low	46	Very low	151 Å²	151	116.5 Å²	116.5	66%	0.657	64%	0.636	S	S	*	*			trans	-59.3	109.8	169.4	-74.6	-170.2	174.5	-169.2	0	108.9	S529 S533	S529-K531 VanDerWaalsContact C-N 3.29Å; S529-K531 PolarHBondContact O-N 3.18Å; K531-S533 PolarHBondContact O-N 3.36Å
532	S	31.9	Very low	44.7	Very low	98 Å²	98	111.2 Å²	111.2	69%	0.685	62%	0.618	S	S	*	*			trans	-56.9	119.9	153.7	53.7	0	0	0	0	105.9	K530 V534	K530-S532 PolarHBondContact O-N 3.32Å; S532-V534 PolarHBondContact O-N 3.15Å
533	S	24.8	Very low	44	Very low	118 Å²	118	110 Å²	110	83%	0.825	61%	0.605	S	S	*	*			trans	-47.9	112.1	167.4	51	0	0	0	0	108.7	K531	K531-S533 PolarHBondContact O-N 3.36Å
534	V	31.8	Very low	43.4	Very low	203 Å²	203	114 Å²	114	100%	1.23	62%	0.62	S	S	*	*			trans	-92	0	155.7	-178.7	0	0	0	0	106.3	S532	S532-V534 PolarHBondContact O-N 3.15Å

Retrieved 534 of 534 residues in 107.9 ms (Link to these results)

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