A0A077ZF40_TRITR Loading...

Non-structural maintenance of chromosomes element 4

Component of the SMC5-SMC6 complex, that promotes sister chromatid alignment after DNA damage and facilitates double-stranded DNA breaks (DSBs) repair via homologous recombination between sister chromatids.

AlphaFold DB , UniProt , Accession A0A077ZF40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 661 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	52.1	Low	69.8	Low	138 Å²	138	98.7 Å²	98.7	68%	0.68	50%	0.501	S	S	*	.				0	125.5	0	-87.9	-173.4	-93.9	0	0	109.9	E5 K6 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 3.96Å; M1-E5 HydrophobicContact CG-CB 3.84Å; M1-E5 WeakPolarHBondContact CG-OE2 2.94Å; M1-E5 HydrophobicContact SD-CB 4.22Å; M1-K6 HydrophobicContact CB-CG 3.81Å; M1-K6 HydrophobicContact CE-CG 4.4Å; M1-K6 HydrophobicContact SD-CG 3.87Å; M1-Q9 PolarHBondContact SD-OE1 3.46Å
2	S	52.3	Low	71	Confident	66 Å²	66	100.3 Å²	100.3	46%	0.462	51%	0.51	S	S	.	.			trans	-55.1	153.2	165.7	-178.7	0	0	0	0	109.7	D4 E5 K6	S2-D4 PolarHBondContact O-N 3.3Å; S2-D4 VanDerWaalsContact O-N 3.12Å; S2-E5 PolarHBondContact N-OE2 2.9Å; S2-E5 PolarHBondContact O-N 2.87Å; S2-K6 PolarHBondContact O-N 3.2Å
3	I	60.9	Low	72.2	Confident	148 Å²	148	92.7 Å²	92.7	76%	0.759	47%	0.472	S	S	*	.	H	α-helix	trans	-53	-34.7	175.8	-68.6	171.7	0	0	0	110.3	L7	I3-L7 PolarHBondContact O-N 2.89Å; I3-L7 VanDerWaalsContact O-N 3.13Å
4	D	67.2	Low	73.2	Confident	119 Å²	119	90.9 Å²	90.9	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-67.9	-38.7	176.5	-65.1	-28.1	0	0	0	113.1	S2 L7 L8	S2-D4 PolarHBondContact O-N 3.3Å; S2-D4 VanDerWaalsContact O-N 3.12Å; D4-L7 PolarHBondContact O-N 3.31Å; D4-L8 WeakPolarHBondContact O-CB 3.4Å; D4-L8 PolarHBondContact O-N 2.97Å
5	E	73.3	Confident	73.9	Confident	108 Å²	108	87.5 Å²	87.5	51%	0.505	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-40.5	178	-72.9	174.4	157.1	0	0	111.5	M1 S2 L7 L8 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 3.96Å; M1-E5 HydrophobicContact CG-CB 3.84Å; M1-E5 WeakPolarHBondContact CG-OE2 2.94Å; M1-E5 HydrophobicContact SD-CB 4.22Å; S2-E5 PolarHBondContact N-OE2 2.9Å; S2-E5 PolarHBondContact O-N 2.87Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.25Å; E5-L8 PolarHBondContact O-N 3.12Å; E5-Q9 WeakPolarHBondContact O-CB 3.41Å; E5-Q9 PolarHBondContact O-N 3.35Å
6	K	72.7	Confident	74.9	Confident	92 Å²	92	83.2 Å²	83.2	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-36.9	174.4	-74.5	-166.5	175.8	-168.3	0	111.9	M1 S2 R10	M1-K6 HydrophobicContact CB-CG 3.81Å; M1-K6 HydrophobicContact CE-CG 4.4Å; M1-K6 HydrophobicContact SD-CG 3.87Å; S2-K6 PolarHBondContact O-N 3.2Å; K6-R10 WeakPolarHBondContact O-CB 3.48Å; K6-R10 WeakPolarHBondContact O-CD 3.41Å; K6-R10 WeakPolarHBondContact O-CG 3.39Å; K6-R10 PolarHBondContact O-N 3.48Å; K6-R10 VanDerWaalsContact O-N 3.11Å
7	L	74.8	Confident	75.8	Confident	97 Å²	97	78.3 Å²	78.3	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-66.3	-44.6	175.9	-166.9	99.9	0	0	0	110.7	I3 D4 E5 R10 L11	I3-L7 PolarHBondContact O-N 2.89Å; I3-L7 VanDerWaalsContact O-N 3.13Å; D4-L7 PolarHBondContact O-N 3.31Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.25Å; L7-R10 PolarHBondContact O-N 3.13Å; L7-L11 HydrophobicContact CD2-CD1 4.23Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.39Å
8	L	76	Confident	76.6	Confident	111 Å²	111	79.3 Å²	79.3	58%	0.581	41%	0.413	S	S	*	.	H	α-helix	trans	-63.3	-44.2	179.2	-155.9	107.2	0	0	0	111.4	D4 E5 R10 L11 L12	D4-L8 WeakPolarHBondContact O-CB 3.4Å; D4-L8 PolarHBondContact O-N 2.97Å; E5-L8 PolarHBondContact O-N 3.12Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 2.9Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-L12 HydrophobicContact CD2-CD1 4.16Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.33Å
9	Q	77.7	Confident	77.3	Confident	58 Å²	58	82.2 Å²	82.2	27%	0.271	42%	0.419	S	S	.	.	H	α-helix	trans	-59	-43.7	174.4	-171.5	179.9	8.3	0	0	111.3	M1 E5 L11 L12 V13	M1-Q9 PolarHBondContact SD-OE1 3.46Å; E5-Q9 WeakPolarHBondContact O-CB 3.41Å; E5-Q9 PolarHBondContact O-N 3.35Å; Q9-L11 PolarHBondContact O-N 3.15Å; Q9-L12 PolarHBondContact O-N 2.97Å; Q9-V13 VanDerWaalsContact O-CG2 3.29Å; Q9-V13 WeakPolarHBondContact O-CG2 3.48Å; Q9-V13 PolarHBondContact O-N 3.4Å
10	R	80.8	Confident	78	Confident	47 Å²	47	78.1 Å²	78.1	18%	0.177	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-38.9	176.8	-72.5	168.9	-176.5	160	2.4	112.9	K6 L7 L8 R14 D54	K6-R10 WeakPolarHBondContact O-CB 3.48Å; K6-R10 WeakPolarHBondContact O-CD 3.41Å; K6-R10 WeakPolarHBondContact O-CG 3.39Å; K6-R10 PolarHBondContact O-N 3.48Å; K6-R10 VanDerWaalsContact O-N 3.11Å; L7-R10 PolarHBondContact O-N 3.13Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 2.9Å; R10-R14 WeakPolarHBondContact O-CB 3.43Å; R10-R14 VanDerWaalsContact O-CG 3.24Å; R10-R14 WeakPolarHBondContact O-CG 3.4Å; R10-R14 PolarHBondContact O-N 3.4Å; R10-D54 IonicContact CZ-OD2 2.72Å; R10-D54 IonicContact NE-OD2 3.07Å; R10-D54 IonicContact NH2-OD2 3.38Å; R10-D54 PolarHBondContact NH2-OD2 3.35Å
11	L	80.3	Confident	78.5	Confident	102 Å²	102	76 Å²	76	53%	0.534	39%	0.388	S	S	.	.	H	α-helix	trans	-66.4	-39.5	175.8	-73.2	172.2	0	0	0	111.5	L7 L8 Q9 G15	L7-L11 HydrophobicContact CD2-CD1 4.23Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3.02Å; Q9-L11 PolarHBondContact O-N 3.15Å; L11-G15 PolarHBondContact O-N 2.91Å
12	L	84.2	Confident	80.3	Confident	117 Å²	117	71.3 Å²	71.3	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-63.4	-46.2	174.3	-74.7	166.5	0	0	0	111.8	L8 Q9 R14 G15 G16	L8-L12 HydrophobicContact CD2-CD1 4.16Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.33Å; Q9-L12 PolarHBondContact O-N 2.97Å; L12-R14 PolarHBondContact O-N 3.2Å; L12-G15 PolarHBondContact O-N 3.27Å; L12-G16 PolarHBondContact O-N 3.35Å
13	V	86	Confident	82	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-44.1	178	171.9	0	0	0	0	111.3	Q9 G16 F17 L52 V53 E58	Q9-V13 VanDerWaalsContact O-CG2 3.29Å; Q9-V13 WeakPolarHBondContact O-CG2 3.48Å; Q9-V13 PolarHBondContact O-N 3.4Å; V13-G16 PolarHBondContact O-N 3.21Å; V13-F17 HydrophobicContact CG1-CD2 3.86Å; V13-F17 HydrophobicContact CG1-CE2 3.48Å; V13-F17 VanDerWaalsContact CG1-CE2 3.48Å; V13-F17 HydrophobicContact CG1-CZ 4.49Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.49Å; V13-F17 PolarHBondContact O-N 3.06Å; V13-L52 HydrophobicContact CG2-CB 3.53Å; V13-L52 HydrophobicContact CG2-CD1 4.15Å; V13-V53 HydrophobicContact CG1-CG2 3.92Å; V13-E58 HydrophobicContact CG1-CB 4.4Å; V13-E58 HydrophobicContact CG1-CG 4.24Å
14	R	86.4	Confident	83.2	Confident	67 Å²	67	63.9 Å²	63.9	25%	0.253	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-43.2	174.9	-69.8	172.1	-166	-176.9	2.5	112.2	R10 L12 G16 F17 H18 E58 L61	R10-R14 WeakPolarHBondContact O-CB 3.43Å; R10-R14 VanDerWaalsContact O-CG 3.24Å; R10-R14 WeakPolarHBondContact O-CG 3.4Å; R10-R14 PolarHBondContact O-N 3.4Å; L12-R14 PolarHBondContact O-N 3.2Å; R14-G16 VanDerWaalsContact C-N 3.28Å; R14-G16 PolarHBondContact O-N 2.89Å; R14-F17 PolarHBondContact O-N 3.32Å; R14-H18 WeakPolarHBondContact O-CB 3.29Å; R14-H18 PolarHBondContact O-CD2 2.82Å; R14-H18 PolarHBondContact O-N 3.2Å; R14-E58 HydrophobicContact CG-CG 3.8Å; R14-E58 IonicContact CZ-OE1 2.79Å; R14-E58 IonicContact NE-OE1 3.27Å; R14-E58 PolarHBondContact NE-OE1 3.47Å; R14-E58 IonicContact NH2-OE1 2.66Å; R14-E58 PolarHBondContact NH2-OE1 2.91Å; R14-L61 HydrophobicContact CB-CD1 4.23Å; R14-L61 HydrophobicContact CG-CD1 3.99Å
15	G	84.9	Confident	84	Confident	41 Å²	41	64.2 Å²	64.2	42%	0.423	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-41	174.8	0	0	0	0	0	111.9	L11 L12 H18 Y19	L11-G15 PolarHBondContact O-N 2.91Å; L12-G15 PolarHBondContact O-N 3.27Å; G15-H18 PolarHBondContact O-N 3.09Å; G15-Y19 WeakPolarHBondContact O-CB 3.19Å; G15-Y19 PolarHBondContact O-N 2.91Å
16	G	88.8	Confident	84.5	Confident	18 Å²	18	63 Å²	63	19%	0.186	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-52.6	174	0	0	0	0	0	112.4	L12 V13 R14 H18 Y19 L20 L49	L12-G16 PolarHBondContact O-N 3.35Å; V13-G16 PolarHBondContact O-N 3.21Å; R14-G16 VanDerWaalsContact C-N 3.28Å; R14-G16 PolarHBondContact O-N 2.89Å; G16-H18 PolarHBondContact O-N 3.19Å; G16-Y19 WeakPolarHBondContact O-CB 3.22Å; G16-Y19 PolarHBondContact O-N 3.27Å; G16-Y19 VanDerWaalsContact O-N 3.16Å; G16-L20 WeakPolarHBondContact O-CG 3.45Å; G16-L20 PolarHBondContact O-N 3.39Å; G16-L49 VanDerWaalsContact C-CD1 3.48Å
17	F	90.3	Very high	84.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-38.5	178.1	-71.3	-59	0	0	0	113	V13 R14 Y19 L20 L21 L49 V53 L61 D62 V65	V13-F17 HydrophobicContact CG1-CD2 3.86Å; V13-F17 HydrophobicContact CG1-CE2 3.48Å; V13-F17 VanDerWaalsContact CG1-CE2 3.48Å; V13-F17 HydrophobicContact CG1-CZ 4.49Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.49Å; V13-F17 PolarHBondContact O-N 3.06Å; R14-F17 PolarHBondContact O-N 3.32Å; F17-Y19 VanDerWaalsContact C-N 3.32Å; F17-Y19 PolarHBondContact O-N 3.49Å; F17-L20 HydrophobicContact CD1-CD1 4.47Å; F17-L20 PolarHBondContact O-N 2.94Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.48Å; F17-L49 HydrophobicContact CD1-CB 4.36Å; F17-L49 HydrophobicContact CD1-CD1 4.06Å; F17-L49 HydrophobicContact CE1-CB 3.74Å; F17-L49 HydrophobicContact CE1-CD1 4.24Å; F17-L49 HydrophobicContact CE2-CB 4.18Å; F17-L49 HydrophobicContact CG-CD1 4.35Å; F17-L49 HydrophobicContact CZ-CB 3.64Å; F17-V53 HydrophobicContact CE2-CG2 3.74Å; F17-V53 HydrophobicContact CZ-CG2 3.99Å; F17-L61 HydrophobicContact CB-CB 3.64Å; F17-L61 HydrophobicContact CB-CD1 4.11Å; F17-L61 HydrophobicContact CB-CG 4.45Å; F17-L61 HydrophobicContact CD2-CB 3.91Å; F17-L61 HydrophobicContact CD2-CD1 4.32Å; F17-L61 HydrophobicContact CG-CB 3.83Å; F17-D62 HydrophobicContact CD1-CB 4.41Å; F17-D62 HydrophobicContact CE1-CB 3.68Å; F17-D62 HydrophobicContact CZ-CB 3.83Å; F17-V65 HydrophobicContact CD1-CG2 4.17Å
18	H	89.7	Confident	84.7	Confident	96 Å²	96	60.1 Å²	60.1	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-35.3	174.6	-78.4	-60	0	0	0	112.4	R14 G15 G16 L21 S22	R14-H18 WeakPolarHBondContact O-CB 3.29Å; R14-H18 PolarHBondContact O-CD2 2.82Å; R14-H18 PolarHBondContact O-N 3.2Å; G15-H18 PolarHBondContact O-N 3.09Å; G16-H18 PolarHBondContact O-N 3.19Å; H18-L21 PolarHBondContact O-N 3.45Å; H18-S22 WeakPolarHBondContact O-CB 3.42Å; H18-S22 PolarHBondContact O-N 3.29Å
19	Y	91.2	Very high	84.4	Confident	134 Å²	134	59.5 Å²	59.5	53%	0.525	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-46.1	172.1	175.3	-105.2	0	0	0	111.3	G15 G16 F17 L21 S22 L23	G15-Y19 WeakPolarHBondContact O-CB 3.19Å; G15-Y19 PolarHBondContact O-N 2.91Å; G16-Y19 WeakPolarHBondContact O-CB 3.22Å; G16-Y19 PolarHBondContact O-N 3.27Å; G16-Y19 VanDerWaalsContact O-N 3.16Å; F17-Y19 VanDerWaalsContact C-N 3.32Å; F17-Y19 PolarHBondContact O-N 3.49Å; Y19-L21 PolarHBondContact O-N 3.23Å; Y19-S22 PolarHBondContact O-N 3.29Å; Y19-S22 VanDerWaalsContact O-N 3.16Å; Y19-S22 PolarHBondContact O-OG 3.42Å; Y19-L23 HydrophobicContact CD1-CD1 3.93Å; Y19-L23 HydrophobicContact CE1-CD1 3.41Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.41Å; Y19-L23 HydrophobicContact CE1-CG 4.25Å; Y19-L23 HydrophobicContact CE2-CD1 4.45Å; Y19-L23 HydrophobicContact CE2-CG 4.46Å; Y19-L23 PolarHBondContact O-N 3.25Å
20	L	90.1	Very high	83.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175	-64.3	-178	0	0	0	112.5	G16 F17 S22 L23 I24 I42 E45 L49 V65	G16-L20 WeakPolarHBondContact O-CG 3.45Å; G16-L20 PolarHBondContact O-N 3.39Å; F17-L20 HydrophobicContact CD1-CD1 4.47Å; F17-L20 PolarHBondContact O-N 2.94Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.86Å; L20-L23 HydrophobicContact CD2-CD1 4.36Å; L20-L23 WeakPolarHBondContact O-CB 3.39Å; L20-L23 PolarHBondContact O-N 3.11Å; L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L20-I24 PolarHBondContact O-N 3.4Å; L20-I42 HydrophobicContact CB-CG2 4.38Å; L20-I42 HydrophobicContact CD2-CG2 4.23Å; L20-E45 HydrophobicContact CD1-CB 4.16Å; L20-E45 HydrophobicContact CD2-CB 3.86Å; L20-E45 VanDerWaalsContact CD2-OE2 3.23Å; L20-E45 WeakPolarHBondContact CD2-OE2 3.39Å; L20-L49 HydrophobicContact CD1-CD1 3.83Å; L20-L49 HydrophobicContact CG-CD1 4.44Å; L20-V65 HydrophobicContact CB-CG1 4.29Å; L20-V65 HydrophobicContact CB-CG2 3.93Å; L20-V65 HydrophobicContact CD1-CG1 4.38Å
21	L	89.9	Confident	82.6	Confident	33 Å²	33	66.2 Å²	66.2	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-41.2	174.2	-73.9	170.8	0	0	0	111.8	F17 H18 Y19 L23 I24 E25 L61 V65	F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.48Å; H18-L21 PolarHBondContact O-N 3.45Å; Y19-L21 PolarHBondContact O-N 3.23Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.01Å; L21-I24 PolarHBondContact O-N 3.38Å; L21-E25 WeakPolarHBondContact O-CG 3.44Å; L21-E25 PolarHBondContact O-N 2.9Å; L21-L61 HydrophobicContact CD1-CD2 4.4Å; L21-V65 HydrophobicContact CD2-CG2 3.93Å; L21-V65 HydrophobicContact CG-CG2 3.81Å
22	S	89.1	Confident	81.7	Confident	41 Å²	41	64.1 Å²	64.1	29%	0.287	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-34.5	176.7	79.3	0	0	0	0	112.7	H18 Y19 L20 E25 N26	H18-S22 WeakPolarHBondContact O-CB 3.42Å; H18-S22 PolarHBondContact O-N 3.29Å; Y19-S22 PolarHBondContact O-N 3.29Å; Y19-S22 VanDerWaalsContact O-N 3.16Å; Y19-S22 PolarHBondContact O-OG 3.42Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.86Å; S22-E25 PolarHBondContact O-N 2.95Å; S22-N26 WeakPolarHBondContact O-CB 3.49Å; S22-N26 PolarHBondContact O-N 2.99Å; S22-N26 PolarHBondContact O-ND2 3.12Å; S22-N26 VanDerWaalsContact O-ND2 3.11Å
23	L	87.8	Confident	80.8	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.272	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-42.8	172.8	-76.8	167.7	0	0	0	111	Y19 L20 L21 N26 M27 I42	Y19-L23 HydrophobicContact CD1-CD1 3.93Å; Y19-L23 HydrophobicContact CE1-CD1 3.41Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.41Å; Y19-L23 HydrophobicContact CE1-CG 4.25Å; Y19-L23 HydrophobicContact CE2-CD1 4.45Å; Y19-L23 HydrophobicContact CE2-CG 4.46Å; Y19-L23 PolarHBondContact O-N 3.25Å; L20-L23 HydrophobicContact CD2-CD1 4.36Å; L20-L23 WeakPolarHBondContact O-CB 3.39Å; L20-L23 PolarHBondContact O-N 3.11Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.01Å; L23-N26 PolarHBondContact O-N 3.41Å; L23-M27 WeakPolarHBondContact O-CG 3.4Å; L23-M27 PolarHBondContact O-N 2.99Å; L23-I42 HydrophobicContact CB-CD1 4.23Å
24	I	85.7	Confident	80	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.8	-64.6	167.2	0	0	0	111.4	L20 L21 M27 K28 I42 V65 V69	L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L20-I24 PolarHBondContact O-N 3.4Å; L21-I24 PolarHBondContact O-N 3.38Å; I24-M27 HydrophobicContact CB-CE 4.38Å; I24-M27 HydrophobicContact CG1-CE 4.06Å; I24-M27 PolarHBondContact O-N 3.36Å; I24-K28 PolarHBondContact O-N 3.37Å; I24-K28 VanDerWaalsContact O-N 3.13Å; I24-I42 HydrophobicContact CD1-CG2 4.11Å; I24-I42 HydrophobicContact CG1-CD1 4.31Å; I24-I42 HydrophobicContact CG1-CG2 4.26Å; I24-V65 HydrophobicContact CD1-CG1 3.96Å; I24-V69 HydrophobicContact CD1-CG2 3.89Å
25	E	85	Confident	79.4	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-37.6	176.2	-73.4	179.6	170.8	0	0	112.6	L21 S22 M27 K28 S29	L21-E25 WeakPolarHBondContact O-CG 3.44Å; L21-E25 PolarHBondContact O-N 2.9Å; S22-E25 PolarHBondContact O-N 2.95Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.06Å; E25-K28 WeakPolarHBondContact O-CB 3.27Å; E25-K28 PolarHBondContact O-N 3.24Å; E25-K28 VanDerWaalsContact O-N 3.13Å; E25-S29 PolarHBondContact O-N 3.05Å; E25-S29 PolarHBondContact O-OG 3.03Å
26	N	84.3	Confident	79	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-35.5	174.3	-74.5	-31	0	0	0	111.9	S22 L23 K28 S29 Q30	S22-N26 WeakPolarHBondContact O-CB 3.49Å; S22-N26 PolarHBondContact O-N 2.99Å; S22-N26 PolarHBondContact O-ND2 3.12Å; S22-N26 VanDerWaalsContact O-ND2 3.11Å; L23-N26 PolarHBondContact O-N 3.41Å; N26-K28 VanDerWaalsContact C-N 3.28Å; N26-K28 PolarHBondContact O-N 2.71Å; N26-S29 PolarHBondContact O-N 3.49Å; N26-Q30 PolarHBondContact O-N 3.49Å
27	M	78.1	Confident	78.7	Confident	29 Å²	29	69.7 Å²	69.7	14%	0.143	38%	0.379	C	S	.	.	H	α-helix	trans	-69.1	-22.3	172.2	-72.9	-172	-64.6	0	0	113.5	L23 I24 E25 Q30 L39 I42 R72	L23-M27 WeakPolarHBondContact O-CG 3.4Å; L23-M27 PolarHBondContact O-N 2.99Å; I24-M27 HydrophobicContact CB-CE 4.38Å; I24-M27 HydrophobicContact CG1-CE 4.06Å; I24-M27 PolarHBondContact O-N 3.36Å; E25-M27 VanDerWaalsContact C-N 3.32Å; E25-M27 PolarHBondContact O-N 3.06Å; M27-Q30 VanDerWaalsContact O-O 3.13Å; M27-L39 HydrophobicContact CE-CD2 3.63Å; M27-L39 HydrophobicContact SD-CD2 4.38Å; M27-I42 HydrophobicContact CE-CD1 3.26Å; M27-I42 HydrophobicContact SD-CD1 4.26Å; M27-R72 PolarHBondContact O-NE 2.65Å; M27-R72 PolarHBondContact O-NH2 2.92Å
28	K	72.8	Confident	78.4	Confident	98 Å²	98	73.8 Å²	73.8	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-74.9	-39.8	167.7	-80.3	-174.5	175.8	177.5	0	111.4	I24 E25 N26 E71	I24-K28 PolarHBondContact O-N 3.37Å; I24-K28 VanDerWaalsContact O-N 3.13Å; E25-K28 WeakPolarHBondContact O-CB 3.27Å; E25-K28 PolarHBondContact O-N 3.24Å; E25-K28 VanDerWaalsContact O-N 3.13Å; N26-K28 VanDerWaalsContact C-N 3.28Å; N26-K28 PolarHBondContact O-N 2.71Å; K28-E71 IonicContact NZ-OE2 2.71Å; K28-E71 PolarHBondContact NZ-OE2 3.49Å
29	S	68.9	Low	78.1	Confident	99 Å²	99	69.5 Å²	69.5	69%	0.692	38%	0.377	S	S	*	.	H	α-helix	trans	-76.5	-35.8	-173.5	-56.4	0	0	0	0	113.3	E25 N26	E25-S29 PolarHBondContact O-N 3.05Å; E25-S29 PolarHBondContact O-OG 3.03Å; N26-S29 PolarHBondContact O-N 3.49Å
30	Q	60.8	Low	77.8	Confident	116 Å²	116	65.8 Å²	65.8	54%	0.542	37%	0.37	S	S	.	.	S	Bend	trans	-91.7	121.1	174.2	-59.8	-177.2	10.7	0	0	107.3	N26 M27 I32	N26-Q30 PolarHBondContact O-N 3.49Å; M27-Q30 VanDerWaalsContact O-O 3.13Å; Q30-I32 HydrophobicContact CB-CD1 3.7Å; Q30-I32 HydrophobicContact CB-CG1 3.5Å; Q30-I32 PolarHBondContact O-N 3.33Å
31	S	60	Low	77.7	Confident	130 Å²	130	71.1 Å²	71.1	91%	0.909	40%	0.395	S	S	*	.			trans	-68.1	57.4	171.9	-174.5	0	0	0	0	110.4
32	I	61.7	Low	77.5	Confident	57 Å²	57	70.1 Å²	70.1	29%	0.292	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-78.5	135.7	176	-52	169.6	0	0	0	106.2	Q30 F34	Q30-I32 HydrophobicContact CB-CD1 3.7Å; Q30-I32 HydrophobicContact CB-CG1 3.5Å; Q30-I32 PolarHBondContact O-N 3.33Å; I32-F34 PolarHBondContact O-N 3.44Å
33	P	65	Low	77.5	Confident	102 Å²	102	70.1 Å²	70.1	66%	0.662	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-52.1	141.3	171.2	20.3	-31.7	0	0	0	110.4	D35	P33-D35 PolarHBondContact O-N 3Å; P33-D35 VanDerWaalsContact O-N 3.11Å
34	F	69.8	Low	77.5	Confident	43 Å²	43	72.5 Å²	72.5	19%	0.189	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-57.8	116.3	-178	177	-102.6	0	0	0	110.9	I32 A36 L39 R72 M73 G76 F80	I32-F34 PolarHBondContact O-N 3.44Å; F34-A36 HydrophobicContact CE1-CB 4.05Å; F34-A36 HydrophobicContact CZ-CB 4.43Å; F34-L39 HydrophobicContact CD2-CD1 4.23Å; F34-L39 HydrophobicContact CE2-CD1 3.38Å; F34-L39 HydrophobicContact CZ-CD1 3.91Å; F34-R72 VanDerWaalsContact CE2-O 3.25Å; F34-R72 WeakPolarHBondContact CE2-O 3.47Å; F34-M73 HydrophobicContact CZ-CB 4.49Å; F34-M73 HydrophobicContact CZ-CG 4.24Å; F34-G76 VanDerWaalsContact CD2-CA 3.45Å; F34-F80 HydrophobicContact CD1-CE2 4.32Å; F34-F80 HydrophobicContact CD1-CZ 4.13Å; F34-F80 HydrophobicContact CE1-CE2 4.1Å; F34-F80 HydrophobicContact CE1-CZ 4.16Å
35	D	73.4	Confident	77.6	Confident	55 Å²	55	76.8 Å²	76.8	29%	0.294	42%	0.419	S	S	.	.			trans	-116.3	100.2	179.1	-172.2	-5.7	0	0	0	109.7	P33 N37 K38 L39	P33-D35 PolarHBondContact O-N 3Å; P33-D35 VanDerWaalsContact O-N 3.11Å; D35-N37 PolarHBondContact O-N 3.32Å; D35-N37 WeakPolarHBondContact OD1-CB 3.45Å; D35-N37 PolarHBondContact OD1-N 2.97Å; D35-N37 VanDerWaalsContact OD1-N 3.12Å; D35-N37 PolarHBondContact OD1-ND2 2.63Å; D35-K38 HydrophobicContact CB-CB 4.49Å; D35-K38 HydrophobicContact CB-CD 4.12Å; D35-K38 HydrophobicContact CB-CG 4.33Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 WeakPolarHBondContact OD2-CE 3.43Å; D35-K38 IonicContact OD2-NZ 3.74Å; D35-L39 PolarHBondContact O-N 2.89Å
36	A	77.8	Confident	77.7	Confident	55 Å²	55	70.8 Å²	70.8	46%	0.455	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-26.7	-179.7	0	0	0	0	0	112.6	F34 L39 S40	F34-A36 HydrophobicContact CE1-CB 4.05Å; F34-A36 HydrophobicContact CZ-CB 4.43Å; A36-L39 PolarHBondContact O-N 3.19Å; A36-S40 PolarHBondContact O-N 3.4Å
37	N	81.9	Confident	77.9	Confident	108 Å²	108	70.6 Å²	70.6	58%	0.578	39%	0.39	S	S	*	.	H	α-helix	trans	-69.3	-43.9	-178.8	-61	-46.6	0	0	0	110.9	D35 L39 S40 E41	D35-N37 PolarHBondContact O-N 3.32Å; D35-N37 WeakPolarHBondContact OD1-CB 3.45Å; D35-N37 PolarHBondContact OD1-N 2.97Å; D35-N37 VanDerWaalsContact OD1-N 3.12Å; D35-N37 PolarHBondContact OD1-ND2 2.63Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.02Å; N37-S40 WeakPolarHBondContact O-CA 3.4Å; N37-S40 WeakPolarHBondContact O-CB 3.4Å; N37-S40 PolarHBondContact O-N 3.45Å; N37-S40 PolarHBondContact O-OG 3.06Å; N37-E41 WeakPolarHBondContact O-CG 3.5Å; N37-E41 PolarHBondContact O-N 2.82Å
38	K	82.8	Confident	78.4	Confident	85 Å²	85	71.9 Å²	71.9	37%	0.37	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-38.8	176	-71	176.3	-172.2	165	0	112.5	D35 S40 E41 I42	D35-K38 HydrophobicContact CB-CB 4.49Å; D35-K38 HydrophobicContact CB-CD 4.12Å; D35-K38 HydrophobicContact CB-CG 4.33Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 WeakPolarHBondContact OD2-CE 3.43Å; D35-K38 IonicContact OD2-NZ 3.74Å; K38-S40 VanDerWaalsContact C-N 3.32Å; K38-E41 PolarHBondContact O-N 3.16Å; K38-I42 WeakPolarHBondContact O-CG1 3.4Å; K38-I42 PolarHBondContact O-N 3.23Å
39	L	84.5	Confident	79.1	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	39%	0.393	C	S	.	.	H	α-helix	trans	-65.9	-36.8	174.6	-71	172.8	0	0	0	111.7	M27 F34 D35 A36 N37 I42 M43 V69 R72 M73	M27-L39 HydrophobicContact CE-CD2 3.63Å; M27-L39 HydrophobicContact SD-CD2 4.38Å; F34-L39 HydrophobicContact CD2-CD1 4.23Å; F34-L39 HydrophobicContact CE2-CD1 3.38Å; F34-L39 HydrophobicContact CZ-CD1 3.91Å; D35-L39 PolarHBondContact O-N 2.89Å; A36-L39 PolarHBondContact O-N 3.19Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.02Å; L39-I42 PolarHBondContact O-N 3.45Å; L39-M43 WeakPolarHBondContact O-CB 3.42Å; L39-M43 PolarHBondContact O-N 3.37Å; L39-V69 HydrophobicContact CB-CG1 4.29Å; L39-V69 HydrophobicContact CD2-CG1 4.31Å; L39-V69 HydrophobicContact CD2-CG2 4.26Å; L39-R72 HydrophobicContact CD1-CB 4.15Å; L39-R72 HydrophobicContact CD1-CG 4.25Å; L39-R72 HydrophobicContact CD2-CB 4.15Å; L39-R72 HydrophobicContact CD2-CG 4.36Å; L39-M73 HydrophobicContact CD1-CG 3.99Å
40	S	85.1	Confident	79.9	Confident	56 Å²	56	67.3 Å²	67.3	39%	0.392	38%	0.377	S	S	.	.	H	α-helix	trans	-66.9	-36.8	174.1	80.3	0	0	0	0	112.7	A36 N37 K38 M43 N44	A36-S40 PolarHBondContact O-N 3.4Å; N37-S40 WeakPolarHBondContact O-CA 3.4Å; N37-S40 WeakPolarHBondContact O-CB 3.4Å; N37-S40 PolarHBondContact O-N 3.45Å; N37-S40 PolarHBondContact O-OG 3.06Å; K38-S40 VanDerWaalsContact C-N 3.32Å; S40-M43 PolarHBondContact O-N 2.95Å; S40-N44 WeakPolarHBondContact O-CB 3.5Å; S40-N44 PolarHBondContact O-N 2.66Å; S40-N44 PolarHBondContact O-ND2 3.41Å
41	E	87.3	Confident	81.1	Confident	113 Å²	113	70.1 Å²	70.1	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-47.9	174.2	-71.9	172.7	-174.4	0	0	111.1	N37 K38 M43 N44 E45	N37-E41 WeakPolarHBondContact O-CG 3.5Å; N37-E41 PolarHBondContact O-N 2.82Å; K38-E41 PolarHBondContact O-N 3.16Å; E41-M43 VanDerWaalsContact C-N 3.27Å; E41-M43 PolarHBondContact O-N 3.43Å; E41-N44 PolarHBondContact O-N 3.13Å; E41-N44 VanDerWaalsContact O-N 3.15Å; E41-E45 PolarHBondContact O-N 3.39Å
42	I	86.7	Confident	82.3	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.056	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-40.9	174.9	-71.1	164.5	0	0	0	111.1	L20 L23 I24 M27 K38 L39 E45 S46 V65 V69	L20-I42 HydrophobicContact CB-CG2 4.38Å; L20-I42 HydrophobicContact CD2-CG2 4.23Å; L23-I42 HydrophobicContact CB-CD1 4.23Å; I24-I42 HydrophobicContact CD1-CG2 4.11Å; I24-I42 HydrophobicContact CG1-CD1 4.31Å; I24-I42 HydrophobicContact CG1-CG2 4.26Å; M27-I42 HydrophobicContact CE-CD1 3.26Å; M27-I42 HydrophobicContact SD-CD1 4.26Å; K38-I42 WeakPolarHBondContact O-CG1 3.4Å; K38-I42 PolarHBondContact O-N 3.23Å; L39-I42 PolarHBondContact O-N 3.45Å; I42-E45 PolarHBondContact O-N 3.38Å; I42-S46 WeakPolarHBondContact O-CB 3.45Å; I42-S46 PolarHBondContact O-N 3.16Å; I42-V65 HydrophobicContact CG2-CG1 3.97Å; I42-V69 HydrophobicContact CG2-CG2 4.09Å
43	M	87.7	Confident	83.3	Confident	41 Å²	41	66.6 Å²	66.6	20%	0.202	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-37	179.2	-154.8	61.9	-112.5	0	0	111.9	L39 S40 E41 S46 N47 V66 V69	L39-M43 WeakPolarHBondContact O-CB 3.42Å; L39-M43 PolarHBondContact O-N 3.37Å; S40-M43 PolarHBondContact O-N 2.95Å; E41-M43 VanDerWaalsContact C-N 3.27Å; E41-M43 PolarHBondContact O-N 3.43Å; M43-S46 PolarHBondContact O-N 3.49Å; M43-N47 VanDerWaalsContact O-CG 3.29Å; M43-N47 PolarHBondContact O-N 2.89Å; M43-N47 PolarHBondContact O-ND2 3.16Å; M43-V66 HydrophobicContact CE-CG2 3.47Å; M43-V66 VanDerWaalsContact CE-CG2 3.47Å; M43-V66 HydrophobicContact SD-CG2 4.08Å; M43-V69 HydrophobicContact SD-CG2 4.32Å
44	N	88.1	Confident	83.9	Confident	103 Å²	103	66.5 Å²	66.5	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-67.1	-40.9	174.2	-70.2	-28.3	0	0	0	111.9	S40 E41 N47 A48	S40-N44 WeakPolarHBondContact O-CB 3.5Å; S40-N44 PolarHBondContact O-N 2.66Å; S40-N44 PolarHBondContact O-ND2 3.41Å; E41-N44 PolarHBondContact O-N 3.13Å; E41-N44 VanDerWaalsContact O-N 3.15Å; N44-N47 PolarHBondContact O-N 3.26Å; N44-A48 PolarHBondContact O-N 3.23Å
45	E	87.9	Confident	84.3	Confident	95 Å²	95	70.3 Å²	70.3	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-40.1	173.3	-73	-175.2	-167.5	0	0	111.7	L20 E41 I42 A48 L49	L20-E45 HydrophobicContact CD1-CB 4.16Å; L20-E45 HydrophobicContact CD2-CB 3.86Å; L20-E45 VanDerWaalsContact CD2-OE2 3.23Å; L20-E45 WeakPolarHBondContact CD2-OE2 3.39Å; E41-E45 PolarHBondContact O-N 3.39Å; I42-E45 PolarHBondContact O-N 3.38Å; E45-A48 PolarHBondContact O-N 2.91Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3.46Å
46	S	87.7	Confident	84.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-45.3	174.9	-154.5	0	0	0	0	111.5	I42 M43 A48 L49 L50 D62	I42-S46 WeakPolarHBondContact O-CB 3.45Å; I42-S46 PolarHBondContact O-N 3.16Å; M43-S46 PolarHBondContact O-N 3.49Å; S46-A48 VanDerWaalsContact C-N 3.32Å; S46-A48 PolarHBondContact O-N 3.45Å; S46-L49 PolarHBondContact O-N 3.12Å; S46-L50 WeakPolarHBondContact O-CB 3.35Å; S46-L50 PolarHBondContact O-N 2.93Å; S46-D62 PolarHBondContact OG-OD1 2.67Å
47	N	88.4	Confident	84.9	Confident	80 Å²	80	76.3 Å²	76.3	43%	0.428	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-40.1	176.3	-74.3	-22.8	0	0	0	112	M43 N44 L50	M43-N47 VanDerWaalsContact O-CG 3.29Å; M43-N47 PolarHBondContact O-N 2.89Å; M43-N47 PolarHBondContact O-ND2 3.16Å; N44-N47 PolarHBondContact O-N 3.26Å; N47-L50 WeakPolarHBondContact O-CB 3.43Å; N47-L50 PolarHBondContact O-N 3.49Å
48	A	88.6	Confident	85	Confident	56 Å²	56	71.2 Å²	71.2	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-37.9	176.5	0	0	0	0	0	112.4	N44 E45 S46 L50	N44-A48 PolarHBondContact O-N 3.23Å; E45-A48 PolarHBondContact O-N 2.91Å; S46-A48 VanDerWaalsContact C-N 3.32Å; S46-A48 PolarHBondContact O-N 3.45Å; A48-L50 VanDerWaalsContact C-N 3.34Å
49	L	87.7	Confident	85.2	Confident	34 Å²	34	69.7 Å²	69.7	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-69.3	-32.5	174.6	-70.1	174.1	0	0	0	112.2	G16 F17 L20 E45 S46 E51 L52	G16-L49 VanDerWaalsContact C-CD1 3.48Å; F17-L49 HydrophobicContact CD1-CB 4.36Å; F17-L49 HydrophobicContact CD1-CD1 4.06Å; F17-L49 HydrophobicContact CE1-CB 3.74Å; F17-L49 HydrophobicContact CE1-CD1 4.24Å; F17-L49 HydrophobicContact CE2-CB 4.18Å; F17-L49 HydrophobicContact CG-CD1 4.35Å; F17-L49 HydrophobicContact CZ-CB 3.64Å; L20-L49 HydrophobicContact CD1-CD1 3.83Å; L20-L49 HydrophobicContact CG-CD1 4.44Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3.46Å; S46-L49 PolarHBondContact O-N 3.12Å; L49-E51 VanDerWaalsContact C-N 3.26Å; L49-E51 PolarHBondContact O-N 3.2Å; L49-L52 PolarHBondContact O-N 3.05Å; L49-L52 VanDerWaalsContact O-N 3.09Å
50	L	85.9	Confident	85.3	Confident	66 Å²	66	71.9 Å²	71.9	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-33.1	179.7	-172.7	63.9	0	0	0	112.3	S46 N47 A48 L52 V53 D62	S46-L50 WeakPolarHBondContact O-CB 3.35Å; S46-L50 PolarHBondContact O-N 2.93Å; N47-L50 WeakPolarHBondContact O-CB 3.43Å; N47-L50 PolarHBondContact O-N 3.49Å; A48-L50 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 2.97Å; L50-V53 HydrophobicContact CD1-CG2 4.26Å; L50-V53 WeakPolarHBondContact O-CB 3.38Å; L50-V53 PolarHBondContact O-N 3.37Å; L50-D62 HydrophobicContact CD1-CB 4.14Å
51	E	85.9	Confident	85.5	Confident	175 Å²	175	69.8 Å²	69.8	82%	0.818	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.5	176.1	-64.7	-172.1	172.6	0	0	113.4	L49	L49-E51 VanDerWaalsContact C-N 3.26Å; L49-E51 PolarHBondContact O-N 3.2Å
52	L	84.6	Confident	85.6	Confident	84 Å²	84	65.3 Å²	65.3	44%	0.44	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.8	-178.1	-57.8	172.8	0	0	0	113.2	V13 L49 L50	V13-L52 HydrophobicContact CG2-CB 3.53Å; V13-L52 HydrophobicContact CG2-CD1 4.15Å; L49-L52 PolarHBondContact O-N 3.05Å; L49-L52 VanDerWaalsContact O-N 3.09Å; L50-L52 PolarHBondContact O-N 2.97Å
53	V	82.5	Confident	85.7	Confident	30 Å²	30	69.3 Å²	69.3	18%	0.182	37%	0.368	C	S	.	.			trans	-80	126.8	-174	173.7	0	0	0	0	112	V13 F17 L50 R55 E58 C59	V13-V53 HydrophobicContact CG1-CG2 3.92Å; F17-V53 HydrophobicContact CE2-CG2 3.74Å; F17-V53 HydrophobicContact CZ-CG2 3.99Å; L50-V53 HydrophobicContact CD1-CG2 4.26Å; L50-V53 WeakPolarHBondContact O-CB 3.38Å; L50-V53 PolarHBondContact O-N 3.37Å; V53-R55 WeakPolarHBondContact CG1-O 3.46Å; V53-E58 HydrophobicContact CB-CB 4.26Å; V53-E58 HydrophobicContact CG1-CB 3.54Å; V53-E58 HydrophobicContact CG2-CB 3.89Å; V53-C59 WeakPolarHBondContact CG1-SG 3.41Å
54	D	78.1	Confident	85.8	Confident	100 Å²	100	69.9 Å²	69.9	54%	0.535	38%	0.376	S	S	.	.			trans	-111	-20.4	178.7	-175.2	39.1	0	0	0	112.1	R10 E58	R10-D54 IonicContact CZ-OD2 2.72Å; R10-D54 IonicContact NE-OD2 3.07Å; R10-D54 IonicContact NH2-OD2 3.38Å; R10-D54 PolarHBondContact NH2-OD2 3.35Å; D54-E58 PolarHBondContact N-OE2 3.44Å
55	R	77.9	Confident	85.8	Confident	122 Å²	122	65 Å²	65	46%	0.46	35%	0.35	S	S	.	.	S	Bend	trans	-123.9	148.7	-174.3	-70	-172.5	176	-163.6	-0.5	113.3	V53 Y57 E58 C59	V53-R55 WeakPolarHBondContact CG1-O 3.46Å; R55-Y57 PolarHBondContact O-N 3.23Å; R55-E58 PolarHBondContact N-OE2 3.3Å; R55-E58 PolarHBondContact O-N 3.45Å; R55-C59 PolarHBondContact O-N 3.16Å
56	P	83.4	Confident	85.9	Confident	113 Å²	113	63.4 Å²	63.4	73%	0.734	35%	0.347	S	S	*	.	H	α-helix	trans	-60.7	-23.3	178.8	24.6	-35.1	0	0	0	113.7	C59 S60	P56-C59 PolarHBondContact O-N 3.11Å; P56-S60 PolarHBondContact O-N 3.47Å
57	Y	81.2	Confident	85.9	Confident	124 Å²	124	69.6 Å²	69.6	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-65.6	-42.7	174.8	-176.3	-100.7	0	0	0	112.1	R55 S60 L61	R55-Y57 PolarHBondContact O-N 3.23Å; Y57-S60 PolarHBondContact O-N 2.88Å; Y57-S60 PolarHBondContact O-OG 2.95Å; Y57-L61 HydrophobicContact CE1-CD1 4.26Å; Y57-L61 PolarHBondContact O-N 3.39Å
58	E	83.8	Confident	85.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-35.8	176.6	-73.2	133.5	-148.3	0	0	110.8	V13 R14 V53 D54 R55 S60 L61 D62	V13-E58 HydrophobicContact CG1-CB 4.4Å; V13-E58 HydrophobicContact CG1-CG 4.24Å; R14-E58 HydrophobicContact CG-CG 3.8Å; R14-E58 IonicContact CZ-OE1 2.79Å; R14-E58 IonicContact NE-OE1 3.27Å; R14-E58 PolarHBondContact NE-OE1 3.47Å; R14-E58 IonicContact NH2-OE1 2.66Å; R14-E58 PolarHBondContact NH2-OE1 2.91Å; V53-E58 HydrophobicContact CB-CB 4.26Å; V53-E58 HydrophobicContact CG1-CB 3.54Å; V53-E58 HydrophobicContact CG2-CB 3.89Å; D54-E58 PolarHBondContact N-OE2 3.44Å; R55-E58 PolarHBondContact N-OE2 3.3Å; R55-E58 PolarHBondContact O-N 3.45Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 3.11Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-L61 VanDerWaalsContact O-N 3.13Å; E58-D62 PolarHBondContact O-N 3.27Å
59	C	85.4	Confident	85.7	Confident	53 Å²	53	64 Å²	64	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-34.4	170	-65.2	0	0	0	0	112.6	V53 R55 P56 L61 D62 V63	V53-C59 WeakPolarHBondContact CG1-SG 3.41Å; R55-C59 PolarHBondContact O-N 3.16Å; P56-C59 PolarHBondContact O-N 3.11Å; C59-L61 VanDerWaalsContact C-N 3.26Å; C59-L61 PolarHBondContact O-N 2.99Å; C59-D62 WeakPolarHBondContact O-CB 3.47Å; C59-D62 PolarHBondContact O-N 3.31Å; C59-V63 WeakPolarHBondContact O-CG2 3.31Å; C59-V63 PolarHBondContact O-N 3.13Å
60	S	88.4	Confident	85.6	Confident	53 Å²	53	64.8 Å²	64.8	37%	0.371	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-26.9	177.2	75.1	0	0	0	0	113	P56 Y57 E58 S64	P56-S60 PolarHBondContact O-N 3.47Å; Y57-S60 PolarHBondContact O-N 2.88Å; Y57-S60 PolarHBondContact O-OG 2.95Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 3.11Å; S60-S64 PolarHBondContact O-N 3.42Å; S60-S64 VanDerWaalsContact O-N 3.12Å; S60-S64 PolarHBondContact O-OG 3Å
61	L	87.3	Confident	85.6	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-71.7	-40.6	173.1	-65.8	173.8	0	0	0	111.1	R14 F17 L21 Y57 E58 C59 S64 V65	R14-L61 HydrophobicContact CB-CD1 4.23Å; R14-L61 HydrophobicContact CG-CD1 3.99Å; F17-L61 HydrophobicContact CB-CB 3.64Å; F17-L61 HydrophobicContact CB-CD1 4.11Å; F17-L61 HydrophobicContact CB-CG 4.45Å; F17-L61 HydrophobicContact CD2-CB 3.91Å; F17-L61 HydrophobicContact CD2-CD1 4.32Å; F17-L61 HydrophobicContact CG-CB 3.83Å; L21-L61 HydrophobicContact CD1-CD2 4.4Å; Y57-L61 HydrophobicContact CE1-CD1 4.26Å; Y57-L61 PolarHBondContact O-N 3.39Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-L61 VanDerWaalsContact O-N 3.13Å; C59-L61 VanDerWaalsContact C-N 3.26Å; C59-L61 PolarHBondContact O-N 2.99Å; L61-S64 WeakPolarHBondContact O-CA 3.41Å; L61-S64 VanDerWaalsContact O-CB 3.31Å; L61-S64 WeakPolarHBondContact O-CB 3.42Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 VanDerWaalsContact O-N 3.08Å; L61-V65 PolarHBondContact O-N 3.44Å
62	D	89.6	Confident	85.4	Confident	19 Å²	19	58.1 Å²	58.1	10%	0.102	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-47	172.1	178.9	71.1	0	0	0	111.7	F17 S46 L50 E58 C59 S64 V65 V66	F17-D62 HydrophobicContact CD1-CB 4.41Å; F17-D62 HydrophobicContact CE1-CB 3.68Å; F17-D62 HydrophobicContact CZ-CB 3.83Å; S46-D62 PolarHBondContact OG-OD1 2.67Å; L50-D62 HydrophobicContact CD1-CB 4.14Å; E58-D62 PolarHBondContact O-N 3.27Å; C59-D62 WeakPolarHBondContact O-CB 3.47Å; C59-D62 PolarHBondContact O-N 3.31Å; D62-S64 PolarHBondContact O-N 3.33Å; D62-V65 WeakPolarHBondContact O-CA 3.46Å; D62-V65 WeakPolarHBondContact O-CB 3.5Å; D62-V65 PolarHBondContact O-N 3.33Å; D62-V66 WeakPolarHBondContact O-CG2 3.39Å; D62-V66 PolarHBondContact O-N 2.87Å
63	V	88.9	Confident	85.2	Confident	95 Å²	95	59.1 Å²	59.1	58%	0.576	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-35	174.2	173.8	0	0	0	0	111.6	C59 K67	C59-V63 WeakPolarHBondContact O-CG2 3.31Å; C59-V63 PolarHBondContact O-N 3.13Å; V63-K67 VanDerWaalsContact O-CB 3.3Å; V63-K67 WeakPolarHBondContact O-CB 3.38Å; V63-K67 PolarHBondContact O-N 3.5Å
64	S	90	Very high	85	Confident	53 Å²	53	62 Å²	62	37%	0.371	33%	0.333	S	S	.	.	H	α-helix	trans	-69.8	-38.5	176.5	-56.3	0	0	0	0	111.9	S60 L61 D62 K67 G68	S60-S64 PolarHBondContact O-N 3.42Å; S60-S64 VanDerWaalsContact O-N 3.12Å; S60-S64 PolarHBondContact O-OG 3Å; L61-S64 WeakPolarHBondContact O-CA 3.41Å; L61-S64 VanDerWaalsContact O-CB 3.31Å; L61-S64 WeakPolarHBondContact O-CB 3.42Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 VanDerWaalsContact O-N 3.08Å; D62-S64 PolarHBondContact O-N 3.33Å; S64-K67 PolarHBondContact O-N 3.35Å; S64-G68 PolarHBondContact O-N 3.17Å
65	V	88.5	Confident	85	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-49.1	172.9	174.5	0	0	0	0	110.1	F17 L20 L21 I24 I42 L61 D62 K67 G68 V69	F17-V65 HydrophobicContact CD1-CG2 4.17Å; L20-V65 HydrophobicContact CB-CG1 4.29Å; L20-V65 HydrophobicContact CB-CG2 3.93Å; L20-V65 HydrophobicContact CD1-CG1 4.38Å; L21-V65 HydrophobicContact CD2-CG2 3.93Å; L21-V65 HydrophobicContact CG-CG2 3.81Å; I24-V65 HydrophobicContact CD1-CG1 3.96Å; I42-V65 HydrophobicContact CG2-CG1 3.97Å; L61-V65 PolarHBondContact O-N 3.44Å; D62-V65 WeakPolarHBondContact O-CA 3.46Å; D62-V65 WeakPolarHBondContact O-CB 3.5Å; D62-V65 PolarHBondContact O-N 3.33Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.01Å; V65-G68 PolarHBondContact O-N 2.63Å; V65-G68 VanDerWaalsContact O-N 3.11Å; V65-V69 HydrophobicContact CG1-CG2 4.48Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.06Å
66	V	89.2	Confident	84.7	Confident	63 Å²	63	55 Å²	55	38%	0.382	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-44.9	177.3	175	0	0	0	0	111.3	M43 D62 G68 V69 A70	M43-V66 HydrophobicContact CE-CG2 3.47Å; M43-V66 VanDerWaalsContact CE-CG2 3.47Å; M43-V66 HydrophobicContact SD-CG2 4.08Å; D62-V66 WeakPolarHBondContact O-CG2 3.39Å; D62-V66 PolarHBondContact O-N 2.87Å; V66-G68 PolarHBondContact O-N 3.19Å; V66-V69 PolarHBondContact O-N 2.9Å; V66-A70 WeakPolarHBondContact O-CB 3.25Å; V66-A70 PolarHBondContact O-N 3.36Å
67	K	89.6	Confident	84	Confident	130 Å²	130	51.1 Å²	51.1	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-60	-46.1	175.6	-176.4	-173.5	175.6	-163.1	0	111.1	V63 S64 V65 V69 A70 E71	V63-K67 VanDerWaalsContact O-CB 3.3Å; V63-K67 WeakPolarHBondContact O-CB 3.38Å; V63-K67 PolarHBondContact O-N 3.5Å; S64-K67 PolarHBondContact O-N 3.35Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.01Å; K67-V69 PolarHBondContact O-N 2.87Å; K67-A70 PolarHBondContact O-N 3.05Å; K67-E71 WeakPolarHBondContact CE-OE1 3.34Å; K67-E71 IonicContact NZ-OE1 2.58Å; K67-E71 WeakPolarHBondContact O-CG 3.41Å; K67-E71 PolarHBondContact O-N 2.72Å
68	G	86.2	Confident	83.2	Confident	8 Å²	8	48.5 Å²	48.5	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-41.2	177.9	0	0	0	0	0	113.1	S64 V65 V66 R72	S64-G68 PolarHBondContact O-N 3.17Å; V65-G68 PolarHBondContact O-N 2.63Å; V65-G68 VanDerWaalsContact O-N 3.11Å; V66-G68 PolarHBondContact O-N 3.19Å; G68-R72 PolarHBondContact O-N 3.29Å; G68-R72 VanDerWaalsContact O-N 3.12Å
69	V	86.4	Confident	82.1	Confident	10 Å²	10	55.1 Å²	55.1	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-45.9	174.2	172.2	0	0	0	0	110.9	I24 L39 I42 M43 V65 V66 K67 R72 M73	I24-V69 HydrophobicContact CD1-CG2 3.89Å; L39-V69 HydrophobicContact CB-CG1 4.29Å; L39-V69 HydrophobicContact CD2-CG1 4.31Å; L39-V69 HydrophobicContact CD2-CG2 4.26Å; I42-V69 HydrophobicContact CG2-CG2 4.09Å; M43-V69 HydrophobicContact SD-CG2 4.32Å; V65-V69 HydrophobicContact CG1-CG2 4.48Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.06Å; V66-V69 PolarHBondContact O-N 2.9Å; K67-V69 PolarHBondContact O-N 2.87Å; V69-R72 PolarHBondContact O-N 3.06Å; V69-M73 HydrophobicContact CG1-CG 4.38Å; V69-M73 HydrophobicContact CG1-SD 4.2Å; V69-M73 WeakPolarHBondContact O-CG 3.3Å; V69-M73 PolarHBondContact O-N 2.59Å
70	A	85.7	Confident	80.8	Confident	51 Å²	51	58.4 Å²	58.4	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-41.9	179.9	0	0	0	0	0	112.7	V66 K67 R72 M73 L74	V66-A70 WeakPolarHBondContact O-CB 3.25Å; V66-A70 PolarHBondContact O-N 3.36Å; K67-A70 PolarHBondContact O-N 3.05Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 2.94Å; A70-M73 PolarHBondContact O-N 3.23Å; A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 2.94Å
71	E	85.2	Confident	79.1	Confident	66 Å²	66	60.9 Å²	60.9	31%	0.308	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-45.1	172.7	-75.8	178.5	-176.9	0	0	110.9	K28 K67 L74 E75	K28-E71 IonicContact NZ-OE2 2.71Å; K28-E71 PolarHBondContact NZ-OE2 3.49Å; K67-E71 WeakPolarHBondContact CE-OE1 3.34Å; K67-E71 IonicContact NZ-OE1 2.58Å; K67-E71 WeakPolarHBondContact O-CG 3.41Å; K67-E71 PolarHBondContact O-N 2.72Å; E71-L74 PolarHBondContact O-N 3.33Å; E71-E75 WeakPolarHBondContact O-CG 3.43Å; E71-E75 PolarHBondContact O-N 3.3Å
72	R	81.5	Confident	77.4	Confident	35 Å²	35	64.4 Å²	64.4	13%	0.132	36%	0.357	C	S	.	.	H	α-helix	trans	-69.4	-35.9	-179.5	-155.1	64	175.1	117.5	4.4	112.8	M27 F34 L39 G68 V69 A70 L74 E75 G76	M27-R72 PolarHBondContact O-NE 2.65Å; M27-R72 PolarHBondContact O-NH2 2.92Å; F34-R72 VanDerWaalsContact CE2-O 3.25Å; F34-R72 WeakPolarHBondContact CE2-O 3.47Å; L39-R72 HydrophobicContact CD1-CB 4.15Å; L39-R72 HydrophobicContact CD1-CG 4.25Å; L39-R72 HydrophobicContact CD2-CB 4.15Å; L39-R72 HydrophobicContact CD2-CG 4.36Å; G68-R72 PolarHBondContact O-N 3.29Å; G68-R72 VanDerWaalsContact O-N 3.12Å; V69-R72 PolarHBondContact O-N 3.06Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 2.94Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-E75 WeakPolarHBondContact CD-OE2 3.43Å; R72-E75 IonicContact CZ-OE2 3.42Å; R72-E75 IonicContact NE-OE2 3.05Å; R72-E75 IonicContact NH1-OE2 2.9Å; R72-E75 PolarHBondContact NH1-OE2 3.34Å; R72-E75 PolarHBondContact O-N 2.76Å; R72-G76 PolarHBondContact O-N 2.82Å
73	M	81	Confident	75.7	Confident	104 Å²	104	66.6 Å²	66.6	51%	0.512	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-36.6	171.6	-72.6	-175.3	75.4	0	0	112.3	F34 L39 V69 A70 S77	F34-M73 HydrophobicContact CZ-CB 4.49Å; F34-M73 HydrophobicContact CZ-CG 4.24Å; L39-M73 HydrophobicContact CD1-CG 3.99Å; V69-M73 HydrophobicContact CG1-CG 4.38Å; V69-M73 HydrophobicContact CG1-SD 4.2Å; V69-M73 WeakPolarHBondContact O-CG 3.3Å; V69-M73 PolarHBondContact O-N 2.59Å; A70-M73 PolarHBondContact O-N 3.23Å; M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.13Å; M73-S77 PolarHBondContact O-N 3.49Å; M73-S77 PolarHBondContact O-OG 2.84Å
74	L	78.5	Confident	74	Confident	91 Å²	91	68.3 Å²	68.3	48%	0.476	37%	0.374	S	S	.	.	H	α-helix	trans	-72	-34.3	176.9	-174.9	67.2	0	0	0	112.7	A70 E71 R72 S77	A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 2.94Å; E71-L74 PolarHBondContact O-N 3.33Å; R72-L74 VanDerWaalsContact C-N 3.31Å; L74-S77 PolarHBondContact O-OG 3.41Å
75	E	77.2	Confident	72.1	Confident	74 Å²	74	73 Å²	73	35%	0.346	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-48.5	172.6	-72.1	170.9	-171.4	0	0	110.8	E71 R72 S77 S78	E71-E75 WeakPolarHBondContact O-CG 3.43Å; E71-E75 PolarHBondContact O-N 3.3Å; R72-E75 WeakPolarHBondContact CD-OE2 3.43Å; R72-E75 IonicContact CZ-OE2 3.42Å; R72-E75 IonicContact NE-OE2 3.05Å; R72-E75 IonicContact NH1-OE2 2.9Å; R72-E75 PolarHBondContact NH1-OE2 3.34Å; R72-E75 PolarHBondContact O-N 2.76Å; E75-S77 PolarHBondContact O-N 2.69Å; E75-S78 WeakPolarHBondContact O-CB 3.15Å; E75-S78 PolarHBondContact O-N 3.45Å; E75-S78 VanDerWaalsContact O-N 3.09Å; E75-S78 PolarHBondContact O-OG 3.35Å
76	G	72.1	Confident	70.6	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.01	42%	0.419	C	S	.	.	H	α-helix	trans	-61.3	-32.5	174.9	0	0	0	0	0	113.3	F34 R72 S78 E79	F34-G76 VanDerWaalsContact CD2-CA 3.45Å; R72-G76 PolarHBondContact O-N 2.82Å; G76-S78 PolarHBondContact O-N 2.93Å; G76-E79 PolarHBondContact O-N 3.23Å; G76-E79 VanDerWaalsContact O-N 3.08Å
77	S	67.5	Low	69.4	Low	32 Å²	32	82.7 Å²	82.7	22%	0.224	43%	0.427	C	S	.	.	H	α-helix	trans	-68.3	-19.1	177.1	76	0	0	0	0	114.1	M73 L74 E75 E79 F80	M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.13Å; M73-S77 PolarHBondContact O-N 3.49Å; M73-S77 PolarHBondContact O-OG 2.84Å; L74-S77 PolarHBondContact O-OG 3.41Å; E75-S77 PolarHBondContact O-N 2.69Å; S77-E79 VanDerWaalsContact C-N 3.28Å; S77-F80 PolarHBondContact O-N 3.46Å
78	S	64.4	Low	68.4	Low	69 Å²	69	80.1 Å²	80.1	48%	0.483	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.6	172.4	73.6	0	0	0	0	113.5	E75 G76	E75-S78 WeakPolarHBondContact O-CB 3.15Å; E75-S78 PolarHBondContact O-N 3.45Å; E75-S78 VanDerWaalsContact O-N 3.09Å; E75-S78 PolarHBondContact O-OG 3.35Å; G76-S78 PolarHBondContact O-N 2.93Å
79	E	62.1	Low	67.8	Low	139 Å²	139	82.8 Å²	82.8	65%	0.65	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.8	173.9	-64.2	-178.8	178.3	0	0	112.4	G76 S77 S81	G76-E79 PolarHBondContact O-N 3.23Å; G76-E79 VanDerWaalsContact O-N 3.08Å; S77-E79 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 2.8Å
80	F	57.2	Low	67.2	Low	121 Å²	121	89.6 Å²	89.6	53%	0.531	47%	0.473	S	S	.	.	S	Bend	trans	-73.8	114	173.5	-64.4	-56	0	0	0	109.7	F34 S77 T82	F34-F80 HydrophobicContact CD1-CE2 4.32Å; F34-F80 HydrophobicContact CD1-CZ 4.13Å; F34-F80 HydrophobicContact CE1-CE2 4.1Å; F34-F80 HydrophobicContact CE1-CZ 4.16Å; S77-F80 PolarHBondContact O-N 3.46Å; F80-T82 PolarHBondContact O-N 3.39Å
81	S	52.4	Low	66.4	Low	106 Å²	106	90.4 Å²	90.4	74%	0.741	47%	0.467	S	S	*	.			trans	-67	26.4	-177	68.4	0	0	0	0	115.1	E79	E79-S81 PolarHBondContact O-N 2.8Å
82	T	53.1	Low	65.9	Low	85 Å²	85	91.6 Å²	91.6	52%	0.521	47%	0.472	S	S	.	.	S	Bend	trans	-120.5	89.1	-176.4	55.3	0	0	0	0	109.9	F80 L84	F80-T82 PolarHBondContact O-N 3.39Å; T82-L84 WeakPolarHBondContact O-CA 3.45Å; T82-L84 WeakPolarHBondContact O-CB 3.5Å; T82-L84 WeakPolarHBondContact O-CD1 3.5Å; T82-L84 VanDerWaalsContact O-CG 3.29Å; T82-L84 WeakPolarHBondContact O-CG 3.28Å; T82-L84 PolarHBondContact O-N 2.82Å
83	N	52.5	Low	65.7	Low	66 Å²	66	91 Å²	91	35%	0.353	48%	0.477	S	S	.	.	S	Bend	trans	32.7	20.2	156.1	-73.5	-29.9	0	0	0	119.8	D86 N88	N83-D86 PolarHBondContact OD1-O 3.21Å; N83-N88 PolarHBondContact OD1-N 2.87Å
84	L	53.7	Low	65.3	Low	130 Å²	130	89.7 Å²	89.7	68%	0.681	48%	0.478	S	S	*	.	S	Bend	trans	-86.9	-24.3	-169.1	-91.1	153	0	0	0	111.5	T82	T82-L84 WeakPolarHBondContact O-CA 3.45Å; T82-L84 WeakPolarHBondContact O-CB 3.5Å; T82-L84 WeakPolarHBondContact O-CD1 3.5Å; T82-L84 VanDerWaalsContact O-CG 3.29Å; T82-L84 WeakPolarHBondContact O-CG 3.28Å; T82-L84 PolarHBondContact O-N 2.82Å
85	R	49.3	Very low	65	Low	151 Å²	151	91.4 Å²	91.4	57%	0.57	48%	0.482	S	S	*	.	S	Bend	trans	-113.9	-52.3	172.1	-93.2	-177.5	158.4	174.2	-3.7	111.9
86	D	57.2	Low	64.9	Low	140 Å²	140	89.1 Å²	89.1	75%	0.749	47%	0.471	S	S	*	.			trans	-114.2	116.3	-177.1	-62.4	-34.6	0	0	0	110	N83 N88	N83-D86 PolarHBondContact OD1-O 3.21Å; D86-N88 PolarHBondContact O-N 2.96Å
87	F	65.6	Low	64.8	Low	127 Å²	127	89.8 Å²	89.8	56%	0.557	48%	0.475	S	S	*	.			trans	-77.7	110.3	172.7	174.1	-101.2	0	0	0	109.1	A89 F92	F87-A89 HydrophobicContact CD1-CB 4.27Å; F87-A89 HydrophobicContact CE1-CB 3.77Å; F87-A89 PolarHBondContact O-N 2.95Å; F87-F92 HydrophobicContact CE2-CB 3.63Å; F87-F92 HydrophobicContact CE2-CD1 4.06Å; F87-F92 AromaticContact CE2-CD2 3.89Å; F87-F92 HydrophobicContact CE2-CD2 3.89Å; F87-F92 AromaticContact CE2-CG 3.58Å; F87-F92 HydrophobicContact CE2-CG 3.58Å; F87-F92 HydrophobicContact CZ-CB 3.63Å; F87-F92 AromaticContact CZ-CD1 3.62Å; F87-F92 HydrophobicContact CZ-CD1 3.62Å; F87-F92 HydrophobicContact CZ-CD2 4.31Å; F87-F92 HydrophobicContact CZ-CE1 4.36Å; F87-F92 AromaticContact CZ-CG 3.58Å; F87-F92 HydrophobicContact CZ-CG 3.58Å
88	N	68	Low	65	Low	76 Å²	76	90.1 Å²	90.1	41%	0.406	48%	0.483	S	S	.	.			trans	-83.8	104.1	170.4	-172.9	-17.7	0	0	0	110	N83 D86 E90 E91 F92	N83-N88 PolarHBondContact OD1-N 2.87Å; D86-N88 PolarHBondContact O-N 2.96Å; N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.02Å; N88-E90 WeakPolarHBondContact OD1-CB 3.14Å; N88-E90 PolarHBondContact OD1-N 2.88Å; N88-E91 HydrophobicContact CB-CB 3.96Å; N88-E91 PolarHBondContact O-N 3.05Å; N88-E91 PolarHBondContact OD1-N 3.19Å; N88-F92 WeakPolarHBondContact O-CB 3.41Å; N88-F92 PolarHBondContact O-N 2.89Å
89	A	74	Confident	65.3	Low	65 Å²	65	91.5 Å²	91.5	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-61.7	-32.1	-178.4	0	0	0	0	0	113.2	F87 G93	F87-A89 HydrophobicContact CD1-CB 4.27Å; F87-A89 HydrophobicContact CE1-CB 3.77Å; F87-A89 PolarHBondContact O-N 2.95Å; A89-G93 PolarHBondContact O-N 3.1Å
90	E	73	Confident	65.8	Low	153 Å²	153	85.3 Å²	85.3	72%	0.715	45%	0.452	S	S	*	.	H	α-helix	trans	-75.9	-41.4	-178.7	-169.6	174	-166	0	0	111.7	N88 G93 S94	N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.02Å; N88-E90 WeakPolarHBondContact OD1-CB 3.14Å; N88-E90 PolarHBondContact OD1-N 2.88Å; E90-G93 PolarHBondContact O-N 3.44Å; E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 3.08Å; E90-S94 PolarHBondContact O-OG 3.27Å
91	E	69.6	Low	66.2	Low	67 Å²	67	80.3 Å²	80.3	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-43.9	173.4	-172.1	-176.8	173.4	0	0	111.2	N88 S94 K95	N88-E91 HydrophobicContact CB-CB 3.96Å; N88-E91 PolarHBondContact O-N 3.05Å; N88-E91 PolarHBondContact OD1-N 3.19Å; E91-S94 PolarHBondContact O-N 3.43Å; E91-K95 HydrophobicContact CG-CD 4.22Å; E91-K95 WeakPolarHBondContact O-CB 3.4Å; E91-K95 WeakPolarHBondContact O-CG 3.17Å; E91-K95 PolarHBondContact O-N 3.06Å; E91-K95 WeakPolarHBondContact OE1-CE 3.41Å; E91-K95 IonicContact OE1-NZ 3.62Å; E91-K95 PolarHBondContact OE1-NZ 3.11Å
92	F	74.5	Confident	66.8	Low	91 Å²	91	84.5 Å²	84.5	40%	0.399	44%	0.436	S	S	.	.	H	α-helix	trans	-60.4	-46.9	174.6	177.5	-100.5	0	0	0	111.2	F87 N88 K95 L96	F87-F92 HydrophobicContact CE2-CB 3.63Å; F87-F92 HydrophobicContact CE2-CD1 4.06Å; F87-F92 AromaticContact CE2-CD2 3.89Å; F87-F92 HydrophobicContact CE2-CD2 3.89Å; F87-F92 AromaticContact CE2-CG 3.58Å; F87-F92 HydrophobicContact CE2-CG 3.58Å; F87-F92 HydrophobicContact CZ-CB 3.63Å; F87-F92 AromaticContact CZ-CD1 3.62Å; F87-F92 HydrophobicContact CZ-CD1 3.62Å; F87-F92 HydrophobicContact CZ-CD2 4.31Å; F87-F92 HydrophobicContact CZ-CE1 4.36Å; F87-F92 AromaticContact CZ-CG 3.58Å; F87-F92 HydrophobicContact CZ-CG 3.58Å; N88-F92 WeakPolarHBondContact O-CB 3.41Å; N88-F92 PolarHBondContact O-N 2.89Å; F92-K95 PolarHBondContact O-N 3.16Å; F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CZ-CD1 4.49Å; F92-L96 HydrophobicContact CZ-CD2 4.27Å; F92-L96 WeakPolarHBondContact O-CB 3.35Å; F92-L96 PolarHBondContact O-N 3.36Å
93	G	75.7	Confident	66.9	Low	23 Å²	23	87.7 Å²	87.7	24%	0.237	44%	0.442	C	S	.	.	H	α-helix	trans	-56	-56.1	175.5	0	0	0	0	0	111.5	A89 E90 K95 L96 I97	A89-G93 PolarHBondContact O-N 3.1Å; E90-G93 PolarHBondContact O-N 3.44Å; G93-K95 VanDerWaalsContact C-N 3.34Å; G93-K95 PolarHBondContact O-N 3.43Å; G93-L96 PolarHBondContact O-N 2.89Å; G93-L96 VanDerWaalsContact O-N 3.15Å; G93-I97 WeakPolarHBondContact O-CG1 3.34Å; G93-I97 PolarHBondContact O-N 3.44Å
94	S	72.7	Confident	66.7	Low	77 Å²	77	94.1 Å²	94.1	54%	0.538	47%	0.467	S	S	.	.	H	α-helix	trans	-55.5	-45.8	179.9	-64.1	0	0	0	0	112.8	E90 E91 I97 G98	E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 3.08Å; E90-S94 PolarHBondContact O-OG 3.27Å; E91-S94 PolarHBondContact O-N 3.43Å; S94-I97 PolarHBondContact O-N 2.76Å; S94-G98 PolarHBondContact O-N 3.28Å
95	K	73.4	Confident	66.4	Low	127 Å²	127	93.4 Å²	93.4	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-66.2	-41.5	177.6	-72.9	179.5	-176.6	175.3	0	112.6	E91 F92 G93 I97 G98 F99	E91-K95 HydrophobicContact CG-CD 4.22Å; E91-K95 WeakPolarHBondContact O-CB 3.4Å; E91-K95 WeakPolarHBondContact O-CG 3.17Å; E91-K95 PolarHBondContact O-N 3.06Å; E91-K95 WeakPolarHBondContact OE1-CE 3.41Å; E91-K95 IonicContact OE1-NZ 3.62Å; E91-K95 PolarHBondContact OE1-NZ 3.11Å; F92-K95 PolarHBondContact O-N 3.16Å; G93-K95 VanDerWaalsContact C-N 3.34Å; G93-K95 PolarHBondContact O-N 3.43Å; K95-I97 VanDerWaalsContact C-N 3.34Å; K95-I97 PolarHBondContact O-N 2.7Å; K95-G98 PolarHBondContact O-N 2.81Å; K95-F99 PolarHBondContact O-N 3.24Å
96	L	75.6	Confident	66.4	Low	25 Å²	25	95 Å²	95	13%	0.131	48%	0.478	C	S	.	.	H	α-helix	trans	-62	-43.4	179	-176.8	68.4	0	0	0	111	F92 G93 F99 I100 W122 F125	F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CZ-CD1 4.49Å; F92-L96 HydrophobicContact CZ-CD2 4.27Å; F92-L96 WeakPolarHBondContact O-CB 3.35Å; F92-L96 PolarHBondContact O-N 3.36Å; G93-L96 PolarHBondContact O-N 2.89Å; G93-L96 VanDerWaalsContact O-N 3.15Å; L96-F99 WeakPolarHBondContact O-CB 3.42Å; L96-F99 PolarHBondContact O-N 3.21Å; L96-I100 HydrophobicContact CD1-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 3.9Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.13Å; L96-W122 HydrophobicContact CD1-CZ3 4.48Å; L96-W122 HydrophobicContact CD2-CH2 3.67Å; L96-W122 HydrophobicContact CD2-CZ3 4.13Å; L96-W122 HydrophobicContact CG-CH2 4.31Å; L96-F125 HydrophobicContact CD1-CD1 4.23Å; L96-F125 HydrophobicContact CD1-CD2 4.5Å; L96-F125 HydrophobicContact CD1-CE1 3.55Å; L96-F125 HydrophobicContact CD1-CE2 3.84Å; L96-F125 HydrophobicContact CD1-CZ 3.31Å
97	I	70.2	Confident	65.6	Low	15 Å²	15	95.7 Å²	95.7	8%	0.077	48%	0.482	C	S	.	.	H	α-helix	trans	-70.8	-37.5	179	-43.8	157.4	0	0	0	110.8	G93 S94 K95 F99 I100 N101 H110 I114	G93-I97 WeakPolarHBondContact O-CG1 3.34Å; G93-I97 PolarHBondContact O-N 3.44Å; S94-I97 PolarHBondContact O-N 2.76Å; K95-I97 VanDerWaalsContact C-N 3.34Å; K95-I97 PolarHBondContact O-N 2.7Å; I97-F99 PolarHBondContact O-N 3.45Å; I97-I100 PolarHBondContact O-N 3.13Å; I97-N101 WeakPolarHBondContact O-CB 3.44Å; I97-N101 PolarHBondContact O-N 2.94Å; I97-H110 WeakPolarHBondContact CB-ND1 3.48Å; I97-H110 HydrophobicContact CD1-CB 4.06Å; I97-H110 WeakPolarHBondContact CG2-CE1 3.3Å; I97-H110 WeakPolarHBondContact CG2-ND1 3.41Å; I97-I114 HydrophobicContact CB-CG1 4.39Å; I97-I114 HydrophobicContact CD1-CD1 3.59Å; I97-I114 HydrophobicContact CD1-CG1 4.13Å; I97-I114 HydrophobicContact CG1-CD1 3.39Å; I97-I114 HydrophobicContact CG1-CG1 3.66Å; I97-I114 HydrophobicContact CG2-CD1 4.44Å; I97-I114 HydrophobicContact CG2-CG1 3.78Å
98	G	71.5	Confident	64.5	Low	40 Å²	40	94.9 Å²	94.9	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-56.1	-40	171	0	0	0	0	0	112.5	S94 K95 K102	S94-G98 PolarHBondContact O-N 3.28Å; K95-G98 PolarHBondContact O-N 2.81Å; G98-K102 PolarHBondContact O-N 3.49Å
99	F	70.9	Confident	63.3	Low	98 Å²	98	98.7 Å²	98.7	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-47.7	176	-170.4	-88.9	0	0	0	112.6	K95 L96 I97 F125 E128	K95-F99 PolarHBondContact O-N 3.24Å; L96-F99 WeakPolarHBondContact O-CB 3.42Å; L96-F99 PolarHBondContact O-N 3.21Å; I97-F99 PolarHBondContact O-N 3.45Å; F99-F125 AromaticContact CD1-CD2 3.51Å; F99-F125 HydrophobicContact CD1-CD2 3.51Å; F99-F125 HydrophobicContact CD1-CE2 4.08Å; F99-F125 HydrophobicContact CD1-CG 4.39Å; F99-F125 HydrophobicContact CE1-CB 4.33Å; F99-F125 AromaticContact CE1-CD2 3.47Å; F99-F125 HydrophobicContact CE1-CD2 3.47Å; F99-F125 VanDerWaalsContact CE1-CD2 3.47Å; F99-F125 HydrophobicContact CE1-CE2 4.26Å; F99-F125 HydrophobicContact CE1-CG 4.36Å; F99-F125 HydrophobicContact CG-CD2 4.48Å; F99-F125 HydrophobicContact CZ-CD2 4.38Å; F99-E128 WeakPolarHBondContact CZ-OE2 3.48Å
100	I	70.9	Confident	62	Low	9 Å²	9	98.5 Å²	98.5	5%	0.046	49%	0.488	C	S	.	.	H	α-helix	trans	-68.7	-39.3	-177.4	-67.2	169.5	0	0	0	111.4	L96 I97 K121 W122	L96-I100 HydrophobicContact CD1-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 3.9Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.13Å; I97-I100 PolarHBondContact O-N 3.13Å; I100-K121 HydrophobicContact CG2-CB 4.24Å; I100-K121 HydrophobicContact CG2-CD 4.35Å; I100-K121 WeakPolarHBondContact O-CD 3.35Å; I100-W122 HydrophobicContact CD1-CD2 3.8Å; I100-W122 HydrophobicContact CD1-CE3 3.83Å; I100-W122 HydrophobicContact CD1-CH2 3.54Å; I100-W122 HydrophobicContact CD1-CZ2 3.48Å; I100-W122 VanDerWaalsContact CD1-CZ2 3.48Å; I100-W122 HydrophobicContact CD1-CZ3 3.69Å
101	N	67	Low	60.7	Low	16 Å²	16	96.9 Å²	96.9	9%	0.086	48%	0.477	C	S	.	.	H	α-helix	trans	-90.6	-11.3	-171.1	-79.4	-14.2	0	0	0	115.5	I97 K103 D113	I97-N101 WeakPolarHBondContact O-CB 3.44Å; I97-N101 PolarHBondContact O-N 2.94Å; N101-K103 PolarHBondContact O-N 3.3Å; N101-D113 PolarHBondContact ND2-OD2 3.12Å
102	K	63.5	Low	59.6	Low	194 Å²	194	97.4 Å²	97.4	84%	0.843	48%	0.481	S	S	*	.			trans	48.9	3.8	176.8	-76.1	-170.7	176.7	-179.2	0	116.3	G98	G98-K102 PolarHBondContact O-N 3.49Å
103	K	55.9	Low	58.3	Low	151 Å²	151	97.1 Å²	97.1	66%	0.657	48%	0.484	S	S	*	.			trans	-118.8	125.7	-179.9	-76.3	-170.3	173.3	-173.5	0	109.1	N101 D105	N101-K103 PolarHBondContact O-N 3.3Å; K103-D105 PolarHBondContact O-N 3.03Å
104	K	48.9	Very low	57	Low	201 Å²	201	98.2 Å²	98.2	87%	0.874	48%	0.484	S	S	*	.			trans	-80.9	33.3	178	-68.4	-176.9	170.4	-175.3	0	112.5	E106	K104-E106 PolarHBondContact O-N 2.73Å
105	D	46.1	Very low	55.9	Low	116 Å²	116	98 Å²	98	62%	0.62	49%	0.487	S	S	*	.			trans	-87.8	99.4	-178.8	-74.2	-23.6	0	0	0	109.2	K103 N107	K103-D105 PolarHBondContact O-N 3.03Å; D105-N107 PolarHBondContact O-N 2.92Å
106	E	49.4	Very low	54.7	Low	184 Å²	184	96.8 Å²	96.8	86%	0.86	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	7.7	-172.5	-66.5	179.9	157.3	0	0	115.3	K104	K104-E106 PolarHBondContact O-N 2.73Å
107	N	40.6	Very low	53.6	Low	154 Å²	154	96.1 Å²	96.1	82%	0.824	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	19.6	-162.6	-87.4	-13.2	0	0	0	117.8	D105	D105-N107 PolarHBondContact O-N 2.92Å
108	T	43.4	Very low	53	Low	110 Å²	110	98.7 Å²	98.7	68%	0.675	51%	0.508	S	S	*	.	S	Bend	trans	-138.5	129.2	175.1	-36.8	0	0	0	0	111.3	H110	T108-H110 WeakPolarHBondContact O-CA 3.39Å; T108-H110 PolarHBondContact O-N 2.82Å
109	F	42.8	Very low	52.3	Low	157 Å²	157	105 Å²	105	69%	0.689	52%	0.524	S	S	*	.			trans	-32.9	93.4	178.4	-78.4	-88.2	0	0	0	113.5	Y111 L112	F109-Y111 HydrophobicContact CB-CD1 4.21Å; F109-Y111 HydrophobicContact CB-CE1 3.99Å; F109-Y111 HydrophobicContact CD1-CD1 4.31Å; F109-Y111 AromaticContact CD1-CE1 3.73Å; F109-Y111 HydrophobicContact CD1-CE1 3.73Å; F109-Y111 HydrophobicContact CG-CE1 4.27Å; F109-Y111 PolarHBondContact O-N 3.49Å; F109-Y111 VanDerWaalsContact O-N 3.11Å; F109-L112 HydrophobicContact CB-CD1 4.22Å; F109-L112 PolarHBondContact O-N 2.95Å
110	H	45.5	Very low	51.9	Low	60 Å²	60	106.1 Å²	106.1	28%	0.278	54%	0.535	S	S	.	.	H	α-helix	trans	-70.2	-15.2	-162.5	-130.9	-103.8	0	0	0	113.2	I97 T108	I97-H110 WeakPolarHBondContact CB-ND1 3.48Å; I97-H110 HydrophobicContact CD1-CB 4.06Å; I97-H110 WeakPolarHBondContact CG2-CE1 3.3Å; I97-H110 WeakPolarHBondContact CG2-ND1 3.41Å; T108-H110 WeakPolarHBondContact O-CA 3.39Å; T108-H110 PolarHBondContact O-N 2.82Å
111	Y	46.8	Very low	51.7	Low	120 Å²	120	109.6 Å²	109.6	47%	0.471	55%	0.55	S	S	.	.	H	α-helix	trans	-75.6	-27	177.9	78.1	-84.4	0	0	0	113.6	F109 L559	F109-Y111 HydrophobicContact CB-CD1 4.21Å; F109-Y111 HydrophobicContact CB-CE1 3.99Å; F109-Y111 HydrophobicContact CD1-CD1 4.31Å; F109-Y111 AromaticContact CD1-CE1 3.73Å; F109-Y111 HydrophobicContact CD1-CE1 3.73Å; F109-Y111 HydrophobicContact CG-CE1 4.27Å; F109-Y111 PolarHBondContact O-N 3.49Å; F109-Y111 VanDerWaalsContact O-N 3.11Å; Y111-L559 WeakPolarHBondContact OH-CD2 3.43Å
112	L	45.5	Very low	51.8	Low	77 Å²	77	113.3 Å²	113.3	40%	0.403	56%	0.563	S	S	.	*	H	α-helix	trans	-77.8	-31.3	-179.3	-70	167.4	0	0	0	111.8	F109 I114 A115	F109-L112 HydrophobicContact CB-CD1 4.22Å; F109-L112 PolarHBondContact O-N 2.95Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 2.9Å; L112-A115 PolarHBondContact O-N 3.17Å
113	D	48.1	Very low	52	Low	85 Å²	85	106 Å²	106	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-78	-17.1	-174.9	-141.7	16.9	0	0	0	112.9	N101 C116 S117	N101-D113 PolarHBondContact ND2-OD2 3.12Å; D113-C116 PolarHBondContact O-N 3.31Å; D113-S117 PolarHBondContact O-N 2.59Å
114	I	48	Very low	52.7	Low	47 Å²	47	101.1 Å²	101.1	24%	0.241	53%	0.527	C	S	.	.	H	α-helix	trans	-66.8	-38.2	172.1	-57.7	171	0	0	0	111.5	I97 L112 C116 W122	I97-I114 HydrophobicContact CB-CG1 4.39Å; I97-I114 HydrophobicContact CD1-CD1 3.59Å; I97-I114 HydrophobicContact CD1-CG1 4.13Å; I97-I114 HydrophobicContact CG1-CD1 3.39Å; I97-I114 HydrophobicContact CG1-CG1 3.66Å; I97-I114 HydrophobicContact CG2-CD1 4.44Å; I97-I114 HydrophobicContact CG2-CG1 3.78Å; L112-I114 VanDerWaalsContact C-N 3.31Å; L112-I114 PolarHBondContact O-N 2.9Å; I114-C116 VanDerWaalsContact C-N 3.31Å; I114-W122 HydrophobicContact CG2-CZ2 3.39Å
115	A	49.9	Very low	53.8	Low	73 Å²	73	93.8 Å²	93.8	60%	0.603	50%	0.495	S	S	*	.	H	α-helix	trans	-79.1	-17.3	-178.5	0	0	0	0	0	112.6	L112	L112-A115 PolarHBondContact O-N 3.17Å
116	C	48.4	Very low	55	Low	100 Å²	100	90 Å²	90	68%	0.676	48%	0.483	S	S	*	.	H	α-helix	trans	-102.1	-1.8	175.4	-69.5	0	0	0	0	113.4	D113 I114	D113-C116 PolarHBondContact O-N 3.31Å; I114-C116 VanDerWaalsContact C-N 3.31Å
117	S	52.9	Low	56	Low	12 Å²	12	88.3 Å²	88.3	8%	0.084	48%	0.475	C	S	.	.	S	Bend	trans	-63	125.8	171.3	166.2	0	0	0	0	109.4	D113 F119 K121	D113-S117 PolarHBondContact O-N 2.59Å; S117-F119 PolarHBondContact O-N 3.09Å; S117-K121 WeakPolarHBondContact OG-CB 3.27Å; S117-K121 WeakPolarHBondContact OG-CD 3.47Å
118	P	56.3	Low	57.4	Low	69 Å²	69	86.1 Å²	86.1	45%	0.448	46%	0.46	S	S	.	.			trans	-53.9	130.9	176.6	18.5	-28.5	0	0	0	109.1	N120 K121	P118-N120 PolarHBondContact O-N 3.39Å; P118-K121 HydrophobicContact CG-CD 4.15Å; P118-K121 HydrophobicContact CG-CG 4.2Å; P118-K121 PolarHBondContact O-N 3.39Å
119	F	58.3	Low	58.7	Low	171 Å²	171	82.1 Å²	82.1	75%	0.75	44%	0.436	S	S	*	.	H	α-helix	trans	-40.7	-33.9	-179.3	-178.1	-95.8	0	0	0	112.9	S117 K121 W122 A123	S117-F119 PolarHBondContact O-N 3.09Å; F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 3.12Å; F119-W122 PolarHBondContact O-N 3.21Å; F119-A123 PolarHBondContact O-N 2.92Å
120	N	61.9	Low	59.9	Low	123 Å²	123	77.6 Å²	77.6	66%	0.658	43%	0.428	S	S	*	.	H	α-helix	trans	-52.3	-34.7	175.2	-55.9	-15.8	0	0	0	114.7	P118 A124	P118-N120 PolarHBondContact O-N 3.39Å; N120-A124 WeakPolarHBondContact O-CB 3.48Å; N120-A124 PolarHBondContact O-N 2.99Å
121	K	66	Low	61	Low	82 Å²	82	78 Å²	78	36%	0.357	44%	0.438	S	S	.	.	H	α-helix	trans	-76.6	-37.8	-180	-68.3	179.3	175.2	-173.4	0	112.4	I100 S117 P118 F119 A124 F125	I100-K121 HydrophobicContact CG2-CB 4.24Å; I100-K121 HydrophobicContact CG2-CD 4.35Å; I100-K121 WeakPolarHBondContact O-CD 3.35Å; S117-K121 WeakPolarHBondContact OG-CB 3.27Å; S117-K121 WeakPolarHBondContact OG-CD 3.47Å; P118-K121 HydrophobicContact CG-CD 4.15Å; P118-K121 HydrophobicContact CG-CG 4.2Å; P118-K121 PolarHBondContact O-N 3.39Å; F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 3.12Å; K121-A124 PolarHBondContact O-N 3.48Å; K121-F125 WeakPolarHBondContact O-CB 3.29Å; K121-F125 PolarHBondContact O-N 3.49Å
122	W	69.4	Low	61.6	Low	93 Å²	93	80 Å²	80	35%	0.352	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-40	172	-82.8	110.6	0	0	0	111.4	L96 I100 I114 F119 A124 F125 G126	L96-W122 HydrophobicContact CD1-CZ3 4.48Å; L96-W122 HydrophobicContact CD2-CH2 3.67Å; L96-W122 HydrophobicContact CD2-CZ3 4.13Å; L96-W122 HydrophobicContact CG-CH2 4.31Å; I100-W122 HydrophobicContact CD1-CD2 3.8Å; I100-W122 HydrophobicContact CD1-CE3 3.83Å; I100-W122 HydrophobicContact CD1-CH2 3.54Å; I100-W122 HydrophobicContact CD1-CZ2 3.48Å; I100-W122 VanDerWaalsContact CD1-CZ2 3.48Å; I100-W122 HydrophobicContact CD1-CZ3 3.69Å; I114-W122 HydrophobicContact CG2-CZ2 3.39Å; F119-W122 PolarHBondContact O-N 3.21Å; W122-A124 VanDerWaalsContact C-N 3.35Å; W122-F125 HydrophobicContact CE3-CD1 4.08Å; W122-F125 HydrophobicContact CZ3-CD1 4.14Å; W122-F125 HydrophobicContact CZ3-CE1 4.37Å; W122-F125 PolarHBondContact O-N 2.91Å; W122-G126 PolarHBondContact O-N 3.08Å
123	A	68.7	Low	61.9	Low	41 Å²	41	83.1 Å²	83.1	34%	0.339	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-41.4	173	0	0	0	0	0	111.9	F119 G126 Q127	F119-A123 PolarHBondContact O-N 2.92Å; A123-G126 PolarHBondContact O-N 3.26Å; A123-Q127 WeakPolarHBondContact O-CB 3.47Å; A123-Q127 WeakPolarHBondContact O-CG 3.16Å; A123-Q127 PolarHBondContact O-N 2.99Å
124	A	69.4	Low	61.8	Low	49 Å²	49	89 Å²	89	41%	0.405	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-46.4	175	0	0	0	0	0	112.1	N120 K121 W122 G126 Q127 E128	N120-A124 WeakPolarHBondContact O-CB 3.48Å; N120-A124 PolarHBondContact O-N 2.99Å; K121-A124 PolarHBondContact O-N 3.48Å; W122-A124 VanDerWaalsContact C-N 3.35Å; A124-G126 VanDerWaalsContact C-N 3.32Å; A124-G126 PolarHBondContact O-N 3.45Å; A124-Q127 PolarHBondContact O-N 3.3Å; A124-E128 WeakPolarHBondContact O-CB 3.34Å; A124-E128 PolarHBondContact O-N 2.99Å
125	F	72.8	Confident	61.5	Low	46 Å²	46	94 Å²	94	20%	0.202	51%	0.508	C	S	.	.	H	α-helix	trans	-58.8	-43.7	173.3	173.9	-109.2	0	0	0	111.7	L96 F99 K121 W122 Q127 E128 C129	L96-F125 HydrophobicContact CD1-CD1 4.23Å; L96-F125 HydrophobicContact CD1-CD2 4.5Å; L96-F125 HydrophobicContact CD1-CE1 3.55Å; L96-F125 HydrophobicContact CD1-CE2 3.84Å; L96-F125 HydrophobicContact CD1-CZ 3.31Å; F99-F125 AromaticContact CD1-CD2 3.51Å; F99-F125 HydrophobicContact CD1-CD2 3.51Å; F99-F125 HydrophobicContact CD1-CE2 4.08Å; F99-F125 HydrophobicContact CD1-CG 4.39Å; F99-F125 HydrophobicContact CE1-CB 4.33Å; F99-F125 AromaticContact CE1-CD2 3.47Å; F99-F125 HydrophobicContact CE1-CD2 3.47Å; F99-F125 VanDerWaalsContact CE1-CD2 3.47Å; F99-F125 HydrophobicContact CE1-CE2 4.26Å; F99-F125 HydrophobicContact CE1-CG 4.36Å; F99-F125 HydrophobicContact CG-CD2 4.48Å; F99-F125 HydrophobicContact CZ-CD2 4.38Å; K121-F125 WeakPolarHBondContact O-CB 3.29Å; K121-F125 PolarHBondContact O-N 3.49Å; W122-F125 HydrophobicContact CE3-CD1 4.08Å; W122-F125 HydrophobicContact CZ3-CD1 4.14Å; W122-F125 HydrophobicContact CZ3-CE1 4.37Å; W122-F125 PolarHBondContact O-N 2.91Å; F125-Q127 PolarHBondContact O-N 3.23Å; F125-E128 PolarHBondContact O-N 2.78Å; F125-C129 WeakPolarHBondContact CE2-SG 3.41Å; F125-C129 WeakPolarHBondContact CZ-SG 3.21Å; F125-C129 VanDerWaalsContact O-CB 3.28Å; F125-C129 WeakPolarHBondContact O-CB 3.33Å; F125-C129 PolarHBondContact O-N 3.35Å; F125-C129 PolarHBondContact O-SG 2.58Å
126	G	71.5	Confident	60.8	Low	36 Å²	36	96.8 Å²	96.8	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-39.3	175.8	0	0	0	0	0	112.9	W122 A123 A124 A130	W122-G126 PolarHBondContact O-N 3.08Å; A123-G126 PolarHBondContact O-N 3.26Å; A124-G126 VanDerWaalsContact C-N 3.32Å; A124-G126 PolarHBondContact O-N 3.45Å; G126-A130 WeakPolarHBondContact O-CB 3.38Å; G126-A130 PolarHBondContact O-N 3.25Å
127	Q	70.7	Confident	60.1	Low	149 Å²	149	96.3 Å²	96.3	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-68.1	-41.5	175.3	-78.9	179.6	-13.3	0	0	112.6	A123 A124 F125 A130 S131	A123-Q127 WeakPolarHBondContact O-CB 3.47Å; A123-Q127 WeakPolarHBondContact O-CG 3.16Å; A123-Q127 PolarHBondContact O-N 2.99Å; A124-Q127 PolarHBondContact O-N 3.3Å; F125-Q127 PolarHBondContact O-N 3.23Å; Q127-A130 PolarHBondContact O-N 2.87Å; Q127-S131 PolarHBondContact O-N 3.04Å
128	E	68.8	Low	59.2	Low	108 Å²	108	102.4 Å²	102.4	51%	0.505	55%	0.545	S	S	.	.	H	α-helix	trans	-66.2	-47.9	177.2	-167.7	168	176.9	0	0	110.6	F99 A124 F125 A130 S131 E132	F99-E128 WeakPolarHBondContact CZ-OE2 3.48Å; A124-E128 WeakPolarHBondContact O-CB 3.34Å; A124-E128 PolarHBondContact O-N 2.99Å; F125-E128 PolarHBondContact O-N 2.78Å; E128-A130 VanDerWaalsContact C-N 3.33Å; E128-A130 PolarHBondContact O-N 2.58Å; E128-S131 WeakPolarHBondContact O-CB 3.33Å; E128-S131 PolarHBondContact O-N 3.5Å; E128-S131 VanDerWaalsContact O-N 3.13Å; E128-S131 PolarHBondContact O-OG 2.98Å; E128-E132 PolarHBondContact O-N 3.31Å
129	C	71.5	Confident	58.3	Low	26 Å²	26	103 Å²	103	18%	0.176	55%	0.548	C	S	.	.	H	α-helix	trans	-62.5	-37.6	173.6	-71.6	0	0	0	0	112.1	F125 S131 E132 M133	F125-C129 WeakPolarHBondContact CE2-SG 3.41Å; F125-C129 WeakPolarHBondContact CZ-SG 3.21Å; F125-C129 VanDerWaalsContact O-CB 3.28Å; F125-C129 WeakPolarHBondContact O-CB 3.33Å; F125-C129 PolarHBondContact O-N 3.35Å; F125-C129 PolarHBondContact O-SG 2.58Å; C129-S131 PolarHBondContact O-N 3.44Å; C129-E132 CarbonylContact O-C 3.55Å; C129-E132 PolarHBondContact O-N 3.03Å; C129-E132 VanDerWaalsContact O-N 3.16Å; C129-M133 HydrophobicContact CB-CE 4.09Å; C129-M133 HydrophobicContact CB-SD 4.27Å; C129-M133 WeakPolarHBondContact O-CA 3.42Å; C129-M133 WeakPolarHBondContact O-CB 3.35Å; C129-M133 WeakPolarHBondContact O-CG 3.18Å; C129-M133 PolarHBondContact O-N 3.18Å
130	A	68.3	Low	57.2	Low	62 Å²	62	103.3 Å²	103.3	51%	0.512	55%	0.552	S	S	.	*	H	α-helix	trans	-62.2	-27.7	177.3	0	0	0	0	0	112.7	G126 Q127 E128	G126-A130 WeakPolarHBondContact O-CB 3.38Å; G126-A130 PolarHBondContact O-N 3.25Å; Q127-A130 PolarHBondContact O-N 2.87Å; E128-A130 VanDerWaalsContact C-N 3.33Å; E128-A130 PolarHBondContact O-N 2.58Å
131	S	67.1	Low	56.1	Low	70 Å²	70	102 Å²	102	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-72.6	-36.8	175.8	79	0	0	0	0	112.8	Q127 E128 C129	Q127-S131 PolarHBondContact O-N 3.04Å; E128-S131 WeakPolarHBondContact O-CB 3.33Å; E128-S131 PolarHBondContact O-N 3.5Å; E128-S131 VanDerWaalsContact O-N 3.13Å; E128-S131 PolarHBondContact O-OG 2.98Å; C129-S131 PolarHBondContact O-N 3.44Å
132	E	60.9	Low	54.6	Low	161 Å²	161	106.4 Å²	106.4	75%	0.752	57%	0.568	S	S	*	*	H	α-helix	trans	-82.7	-31.7	177.2	-67.6	-90.7	162.6	0	0	112.3	E128 C129 R134	E128-E132 PolarHBondContact O-N 3.31Å; C129-E132 CarbonylContact O-C 3.55Å; C129-E132 PolarHBondContact O-N 3.03Å; C129-E132 VanDerWaalsContact O-N 3.16Å; E132-R134 PolarHBondContact O-N 2.86Å
133	M	50.5	Low	53	Low	143 Å²	143	110.2 Å²	110.2	70%	0.704	59%	0.59	S	S	*	*			trans	-82.5	18	175.9	-67.9	-177.2	-179.7	0	0	112.3	C129 L135	C129-M133 HydrophobicContact CB-CE 4.09Å; C129-M133 HydrophobicContact CB-SD 4.27Å; C129-M133 WeakPolarHBondContact O-CA 3.42Å; C129-M133 WeakPolarHBondContact O-CB 3.35Å; C129-M133 WeakPolarHBondContact O-CG 3.18Å; C129-M133 PolarHBondContact O-N 3.18Å; M133-L135 PolarHBondContact O-N 3.3Å
134	R	46.6	Very low	51.6	Low	208 Å²	208	114 Å²	114	79%	0.785	61%	0.613	S	S	*	*	S	Bend	trans	-56	100.8	156.1	-89.2	-177	174.6	151.8	0.9	106.2	E132 V136	E132-R134 PolarHBondContact O-N 2.86Å; R134-V136 PolarHBondContact O-N 3.49Å; R134-V136 VanDerWaalsContact O-N 3.16Å
135	L	41.2	Very low	50.1	Low	153 Å²	153	119.3 Å²	119.3	80%	0.801	63%	0.633	S	S	*	*			trans	1.3	103.1	170.5	-83.3	151	0	0	0	110	M133 S137	M133-L135 PolarHBondContact O-N 3.3Å; L135-S137 PolarHBondContact O-N 2.94Å; L135-S137 PolarHBondContact O-OG 2.98Å
136	V	35.8	Very low	48.1	Very low	130 Å²	130	122.6 Å²	122.6	79%	0.788	66%	0.657	S	S	*	*			trans	-52	90.8	163.5	177	0	0	0	0	105	R134 I138	R134-V136 PolarHBondContact O-N 3.49Å; R134-V136 VanDerWaalsContact O-N 3.16Å; V136-I138 PolarHBondContact O-N 3.15Å
137	S	33.9	Very low	46.2	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	67%	0.673	S	S	*	*			trans	-60.5	113.7	164	-67.2	0	0	0	0	101	L135	L135-S137 PolarHBondContact O-N 2.94Å; L135-S137 PolarHBondContact O-OG 2.98Å
138	I	34.4	Very low	44.3	Very low	141 Å²	141	124.1 Å²	124.1	72%	0.723	68%	0.679	S	S	*	*			trans	-26.5	126	170.8	-62.8	160.8	0	0	0	107.6	V136 Q140	V136-I138 PolarHBondContact O-N 3.15Å; I138-Q140 PolarHBondContact O-N 3.38Å
139	P	36.3	Very low	42.5	Very low	80 Å²	80	125.1 Å²	125.1	52%	0.519	70%	0.698	S	S	.	*			trans	-41.5	114.4	-176.5	-29	32.6	0	0	0	109.6	S141	P139-S141 WeakPolarHBondContact CB-OG 3.42Å; P139-S141 PolarHBondContact O-N 3.04Å
140	Q	36	Very low	40.5	Very low	179 Å²	179	127.6 Å²	127.6	84%	0.836	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	9.8	177.8	-76	-177.1	-33.7	0	0	112.3	I138 Y142	I138-Q140 PolarHBondContact O-N 3.38Å; Q140-Y142 VanDerWaalsContact C-N 3.32Å; Q140-Y142 PolarHBondContact O-N 2.86Å
141	S	38	Very low	38.6	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	2.9	-179.4	56.4	0	0	0	0	114.7	P139	P139-S141 WeakPolarHBondContact CB-OG 3.42Å; P139-S141 PolarHBondContact O-N 3.04Å
142	Y	35.4	Very low	36.9	Very low	174 Å²	174	132.3 Å²	132.3	68%	0.682	76%	0.763	S	S	*	*			trans	-101	75.4	165.4	-71.7	-81.4	0	0	0	111	Q140 C144	Q140-Y142 VanDerWaalsContact C-N 3.32Å; Q140-Y142 PolarHBondContact O-N 2.86Å; Y142-C144 PolarHBondContact O-N 2.88Å
143	Q	34.4	Very low	35.3	Very low	174 Å²	174	133.5 Å²	133.5	81%	0.813	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	10.5	178.7	-129	159.3	8.9	0	0	114.3
144	C	40.4	Very low	34.7	Very low	121 Å²	121	132.9 Å²	132.9	82%	0.818	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-3.6	-178.4	-162	0	0	0	0	114.6	Y142	Y142-C144 PolarHBondContact O-N 2.88Å
145	L	37	Very low	33.9	Very low	159 Å²	159	130.4 Å²	130.4	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-118.8	4.3	179.5	-71.6	170.8	0	0	0	114.6	A147	L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.22Å
146	T	31.9	Very low	33.9	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	78%	0.777	S	S	*	*			trans	-89	70.6	170.5	50	0	0	0	0	110.9
147	A	30.6	Very low	33.9	Very low	85 Å²	85	130.2 Å²	130.2	70%	0.702	78%	0.776	S	S	*	*			trans	-78.6	115.9	155	0	0	0	0	0	107.8	L145	L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.22Å
148	T	31.6	Very low	33.8	Very low	132 Å²	132	136.2 Å²	136.2	81%	0.81	79%	0.791	S	S	*	*	S	Bend	trans	79.8	91.9	164.7	67.9	0	0	0	0	118
149	S	30.8	Very low	34	Very low	130 Å²	130	134.4 Å²	134.4	91%	0.909	80%	0.796	S	S	*	*				168.8	116.4	111.4	46.5	0	0	0	0	111
150	G	30	Very low	34	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	81%	0.812	S	S	*	*	S	Bend	trans	131.4	93.8	163.5	0	0	0	0	0	115.5
151	A	28.8	Very low	33.9	Very low	107 Å²	107	141.6 Å²	141.6	88%	0.884	81%	0.811	S	S	*	*			trans	73.9	78.5	151.3	0	0	0	0	0	119.1
152	S	31	Very low	33.9	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	82%	0.822	S	S	*	*				-162.8	133.3	117.7	-155.7	0	0	0	0	110.3	V154	S152-V154 PolarHBondContact O-N 3.2Å
153	Q	27.7	Very low	33.7	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	84%	0.835	S	S	*	*			trans	-69.7	119.1	-173.4	-64.1	173	-22.3	0	0	111.1
154	V	36.3	Very low	33.8	Very low	129 Å²	129	147.4 Å²	147.4	78%	0.782	84%	0.839	S	S	*	*			trans	-144.2	110.2	151.3	-172.6	0	0	0	0	108.5	S152 L156	S152-V154 PolarHBondContact O-N 3.2Å; V154-L156 HydrophobicContact CG1-CD1 4.36Å
155	D	31.4	Very low	33.5	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	84%	0.841	S	S	*	*			trans	-60.8	129.2	173.7	-67.3	-55.7	0	0	0	111.3
156	L	40.6	Very low	33.4	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	84%	0.836	S	S	*	*			trans	-149.7	147.4	150.7	-88.7	123.5	0	0	0	111.6	V154	V154-L156 HydrophobicContact CG1-CD1 4.36Å
157	P	36.5	Very low	33.9	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	84%	0.844	S	S	*	*			trans	-95.4	143	-148.4	19.8	-4.7	0	0	0	114.1	A159	P157-A159 PolarHBondContact O-N 2.83Å
158	K	31.7	Very low	34.3	Very low	217 Å²	217	145 Å²	145	94%	0.943	85%	0.845	S	S	*	*			trans	-72	110.6	177.1	-69.4	176.2	179	174.6	0	111.6
159	A	38.6	Very low	34.5	Very low	102 Å²	102	148.5 Å²	148.5	84%	0.843	85%	0.852	S	S	*	*			trans	-91.6	126.1	168.5	0	0	0	0	0	111.9	P157	P157-A159 PolarHBondContact O-N 2.83Å
160	K	36	Very low	34.9	Very low	193 Å²	193	145.7 Å²	145.7	84%	0.839	84%	0.844	S	S	*	*			trans	-74.4	132.5	178.1	-99.2	171.2	175	168.4	0	112
161	R	33.1	Very low	35.1	Very low	218 Å²	218	147.6 Å²	147.6	82%	0.823	84%	0.842	S	S	*	*				68.4	121.6	122.6	-147.9	-179.1	-172.6	-172.5	2.8	117.7
162	R	38	Very low	35.5	Very low	239 Å²	239	149.3 Å²	149.3	90%	0.902	84%	0.841	S	S	*	*				171.8	133.2	111.4	-94.1	171.1	154.5	173.7	-6.7	113.5
163	K	30.6	Very low	35.8	Very low	217 Å²	217	147.5 Å²	147.5	94%	0.943	83%	0.833	S	S	*	*			trans	-71.5	135.1	163.7	-65.3	-178	174.7	-175.5	0	109.6
164	A	37.8	Very low	36.2	Very low	109 Å²	109	148.1 Å²	148.1	90%	0.901	83%	0.828	S	S	*	*			trans	-156	145.7	158.7	0	0	0	0	0	109.7
165	A	33.3	Very low	36.2	Very low	104 Å²	104	146.8 Å²	146.8	86%	0.86	82%	0.824	S	S	*	*			trans	-100.7	164.6	-162.9	0	0	0	0	0	114.1
166	G	35.3	Very low	36.5	Very low	70 Å²	70	145 Å²	145	72%	0.722	82%	0.819	S	S	*	*			trans	75.5	139.2	160.6	0	0	0	0	0	114.7
167	T	42	Very low	36.4	Very low	144 Å²	144	147.4 Å²	147.4	88%	0.883	82%	0.817	S	S	*	*			cis	-166.2	159.2	35.2	-43.9	0	0	0	0	107.6
168	P	39.4	Very low	36.3	Very low	110 Å²	110	146.2 Å²	146.2	71%	0.714	80%	0.8	S	S	*	*			trans	-109.6	151.2	-153.9	38.2	-28.2	0	0	0	114.7
169	E	36	Very low	36.5	Very low	206 Å²	206	139.8 Å²	139.8	96%	0.963	78%	0.778	S	S	*	*			trans	-151.9	141.5	162	-71.1	-164.6	159.4	0	0	113
170	G	38.3	Very low	36.5	Very low	71 Å²	71	140.3 Å²	140.3	73%	0.732	77%	0.771	S	S	*	*			trans	115.5	87.7	156.8	0	0	0	0	0	117.1
171	P	35.4	Very low	36.6	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	76%	0.756	S	S	*	*			trans	-79.4	143.5	173.2	34.8	-29.8	0	0	0	109.5
172	V	37.3	Very low	36.5	Very low	142 Å²	142	127.4 Å²	127.4	86%	0.861	73%	0.734	S	S	*	*	S	Bend	trans	161.2	-15.3	154.3	160.3	0	0	0	0	111.6
173	A	37	Very low	36.3	Very low	85 Å²	85	119.5 Å²	119.5	70%	0.702	71%	0.709	S	S	*	*	S	Bend	trans	-101.2	17.7	178.6	0	0	0	0	0	115.4
174	R	34.9	Very low	36.5	Very low	200 Å²	200	112 Å²	112	76%	0.755	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-2	-161.6	-155.2	170.7	-171.2	172.9	1.6	116.3
175	S	37.5	Very low	36.4	Very low	101 Å²	101	110.2 Å²	110.2	71%	0.706	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-9.5	-170.5	55.6	0	0	0	0	116.6
176	V	37.8	Very low	36.7	Very low	119 Å²	119	110.4 Å²	110.4	72%	0.721	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-21.9	-175.7	-171.6	0	0	0	0	113.8
177	R	37.5	Very low	36.9	Very low	213 Å²	213	113.5 Å²	113.5	80%	0.804	65%	0.648	S	S	*	*	H	α-helix	trans	-88.2	-8.5	175.2	-88.8	-178.5	179.9	164.1	0.6	115.1
178	K	34.1	Very low	37.2	Very low	92 Å²	92	109 Å²	109	40%	0.4	63%	0.625	S	S	.	*	H	α-helix	trans	-77.8	-40.3	177.5	-122.4	-178.2	170.4	-114.7	0	111.5	V180 A181 E182	K178-V180 PolarHBondContact O-N 3.4Å; K178-A181 PolarHBondContact O-N 3.14Å; K178-E182 WeakPolarHBondContact CB-OE2 3.39Å; K178-E182 WeakPolarHBondContact CE-OE1 3.43Å; K178-E182 HydrophobicContact CG-CG 4.32Å; K178-E182 WeakPolarHBondContact CG-OE2 3.29Å; K178-E182 IonicContact NZ-OE1 3.78Å; K178-E182 PolarHBondContact NZ-OE1 3.09Å; K178-E182 IonicContact NZ-OE2 2.87Å; K178-E182 WeakPolarHBondContact O-CA 3.25Å; K178-E182 WeakPolarHBondContact O-CB 3.17Å; K178-E182 VanDerWaalsContact O-CG 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.28Å
179	V	37.1	Very low	38	Very low	82 Å²	82	107.2 Å²	107.2	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-66	-36	-174.3	-172.6	0	0	0	0	113.2	N183	V179-N183 VanDerWaalsContact O-CB 3.3Å; V179-N183 WeakPolarHBondContact O-CB 3.4Å; V179-N183 PolarHBondContact O-N 3.49Å; V179-N183 VanDerWaalsContact O-N 3.16Å; V179-N183 PolarHBondContact O-ND2 2.75Å; V179-N183 VanDerWaalsContact O-ND2 3.17Å; V179-N183 PolarHBondContact O-OD1 3.46Å
180	V	38.5	Very low	39.3	Very low	113 Å²	113	99.5 Å²	99.5	69%	0.685	58%	0.577	S	S	*	*	H	α-helix	trans	-88.2	-24.3	-176.9	-175.1	0	0	0	0	113.2	K178 A184	K178-V180 PolarHBondContact O-N 3.4Å; V180-A184 PolarHBondContact O-N 3.16Å
181	A	36.9	Very low	40.6	Very low	65 Å²	65	98.8 Å²	98.8	54%	0.537	56%	0.558	S	S	.	*	H	α-helix	trans	-90.3	-27.8	174.3	0	0	0	0	0	112.8	K178 S185	K178-A181 PolarHBondContact O-N 3.14Å; A181-S185 WeakPolarHBondContact O-CB 3.21Å; A181-S185 PolarHBondContact O-N 3.15Å
182	E	32.5	Very low	42.3	Very low	74 Å²	74	96.7 Å²	96.7	35%	0.346	54%	0.543	S	S	.	.	H	α-helix	trans	-67.3	-44.4	166.5	-76.6	171.3	151.5	0	0	109.5	K178 A184 S185 E186	K178-E182 WeakPolarHBondContact CB-OE2 3.39Å; K178-E182 WeakPolarHBondContact CE-OE1 3.43Å; K178-E182 HydrophobicContact CG-CG 4.32Å; K178-E182 WeakPolarHBondContact CG-OE2 3.29Å; K178-E182 IonicContact NZ-OE1 3.78Å; K178-E182 PolarHBondContact NZ-OE1 3.09Å; K178-E182 IonicContact NZ-OE2 2.87Å; K178-E182 WeakPolarHBondContact O-CA 3.25Å; K178-E182 WeakPolarHBondContact O-CB 3.17Å; K178-E182 VanDerWaalsContact O-CG 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.28Å; E182-A184 PolarHBondContact O-N 3.16Å; E182-S185 CarbonylContact O-C 3.57Å; E182-S185 PolarHBondContact O-N 3.46Å; E182-E186 WeakPolarHBondContact O-CB 3.16Å; E182-E186 WeakPolarHBondContact O-CG 3.12Å; E182-E186 PolarHBondContact O-N 3.39Å
183	N	32.5	Very low	44	Very low	73 Å²	73	96.8 Å²	96.8	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-39.3	178.1	-67.7	0.2	0	0	0	113.9	V179 E186 E187	V179-N183 VanDerWaalsContact O-CB 3.3Å; V179-N183 WeakPolarHBondContact O-CB 3.4Å; V179-N183 PolarHBondContact O-N 3.49Å; V179-N183 VanDerWaalsContact O-N 3.16Å; V179-N183 PolarHBondContact O-ND2 2.75Å; V179-N183 VanDerWaalsContact O-ND2 3.17Å; V179-N183 PolarHBondContact O-OD1 3.46Å; N183-E186 PolarHBondContact O-N 3.19Å; N183-E187 VanDerWaalsContact O-CB 3.31Å; N183-E187 WeakPolarHBondContact O-CB 3.39Å; N183-E187 VanDerWaalsContact O-CG 3.27Å; N183-E187 WeakPolarHBondContact O-CG 2.86Å; N183-E187 PolarHBondContact O-N 2.86Å
184	A	34.7	Very low	45.6	Very low	60 Å²	60	94.1 Å²	94.1	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-72.5	-30.8	177.2	0	0	0	0	0	113	V180 E182 A188	V180-A184 PolarHBondContact O-N 3.16Å; E182-A184 PolarHBondContact O-N 3.16Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.04Å
185	S	36.8	Very low	47.6	Very low	72 Å²	72	85.4 Å²	85.4	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-76.1	-33.1	172.6	-168.5	0	0	0	0	111.6	A181 E182 D189	A181-S185 WeakPolarHBondContact O-CB 3.21Å; A181-S185 PolarHBondContact O-N 3.15Å; E182-S185 CarbonylContact O-C 3.57Å; E182-S185 PolarHBondContact O-N 3.46Å; S185-D189 WeakPolarHBondContact O-CB 3.14Å; S185-D189 PolarHBondContact O-N 3.26Å
186	E	38.7	Very low	49.5	Very low	108 Å²	108	85.5 Å²	85.5	51%	0.505	47%	0.465	S	S	.	.	H	α-helix	trans	-71.8	-42.4	175.6	-76.2	171.6	-169.9	0	0	110.9	E182 N183 D189 V190	E182-E186 WeakPolarHBondContact O-CB 3.16Å; E182-E186 WeakPolarHBondContact O-CG 3.12Å; E182-E186 PolarHBondContact O-N 3.39Å; N183-E186 PolarHBondContact O-N 3.19Å; E186-D189 CarbonylContact O-C 3.34Å; E186-D189 WeakPolarHBondContact O-CB 3.4Å; E186-D189 PolarHBondContact O-N 3.31Å; E186-V190 WeakPolarHBondContact O-CB 3.17Å; E186-V190 WeakPolarHBondContact O-CG2 3.43Å; E186-V190 PolarHBondContact O-N 2.99Å
187	E	40.2	Very low	51.5	Low	134 Å²	134	83.8 Å²	83.8	63%	0.626	45%	0.448	S	S	*	.	H	α-helix	trans	-65.6	-38.6	174.3	-77.2	175.6	-171	0	0	112.4	N183 D189 V190 T191	N183-E187 VanDerWaalsContact O-CB 3.31Å; N183-E187 WeakPolarHBondContact O-CB 3.39Å; N183-E187 VanDerWaalsContact O-CG 3.27Å; N183-E187 WeakPolarHBondContact O-CG 2.86Å; N183-E187 PolarHBondContact O-N 2.86Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-V190 PolarHBondContact O-N 2.66Å; E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 WeakPolarHBondContact O-CG2 3.22Å; E187-T191 PolarHBondContact O-N 3.14Å; E187-T191 PolarHBondContact O-OG1 3Å
188	A	47.6	Very low	53.7	Low	50 Å²	50	73.8 Å²	73.8	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-38.8	171.8	0	0	0	0	0	111.7	A184 T191 T192	A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.04Å; A188-T191 WeakPolarHBondContact CA-OG1 3.13Å; A188-T191 PolarHBondContact O-OG1 2.79Å; A188-T191 VanDerWaalsContact O-OG1 3.04Å; A188-T192 VanDerWaalsContact O-CB 3.29Å; A188-T192 WeakPolarHBondContact O-CB 3.19Å; A188-T192 PolarHBondContact O-N 3.45Å; A188-T192 PolarHBondContact O-OG1 2.86Å
189	D	57.7	Low	56	Low	73 Å²	73	71.2 Å²	71.2	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-66.9	-41	173.2	-100.7	20.4	0	0	0	111.9	S185 E186 E187 T192 R193	S185-D189 WeakPolarHBondContact O-CB 3.14Å; S185-D189 PolarHBondContact O-N 3.26Å; E186-D189 CarbonylContact O-C 3.34Å; E186-D189 WeakPolarHBondContact O-CB 3.4Å; E186-D189 PolarHBondContact O-N 3.31Å; E187-D189 VanDerWaalsContact C-N 3.34Å; D189-T192 PolarHBondContact O-N 3.38Å; D189-R193 VanDerWaalsContact O-CB 3.31Å; D189-R193 WeakPolarHBondContact O-CB 3.24Å; D189-R193 WeakPolarHBondContact O-CG 3.25Å; D189-R193 PolarHBondContact O-N 3.5Å; D189-R193 IonicContact OD2-CZ 3.65Å; D189-R193 IonicContact OD2-NH2 3.57Å; D189-R193 PolarHBondContact OD2-NH2 2.84Å
190	V	62.1	Low	58.2	Low	44 Å²	44	73.4 Å²	73.4	27%	0.267	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-47.6	179.7	168.5	0	0	0	0	110.4	E186 E187 T192 R193 A194 W323	E186-V190 WeakPolarHBondContact O-CB 3.17Å; E186-V190 WeakPolarHBondContact O-CG2 3.43Å; E186-V190 PolarHBondContact O-N 2.99Å; E187-V190 PolarHBondContact O-N 2.66Å; V190-T192 PolarHBondContact O-N 3.19Å; V190-R193 PolarHBondContact O-N 2.92Å; V190-A194 WeakPolarHBondContact O-CB 3.3Å; V190-A194 PolarHBondContact O-N 2.89Å; V190-W323 HydrophobicContact CG1-CH2 4Å; V190-W323 HydrophobicContact CG1-CZ2 3.88Å
191	T	65.6	Low	60.4	Low	55 Å²	55	71 Å²	71	34%	0.337	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-39.1	176.6	48.9	0	0	0	0	112.1	E187 A188 A194 C195	E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 WeakPolarHBondContact O-CG2 3.22Å; E187-T191 PolarHBondContact O-N 3.14Å; E187-T191 PolarHBondContact O-OG1 3Å; A188-T191 WeakPolarHBondContact CA-OG1 3.13Å; A188-T191 PolarHBondContact O-OG1 2.79Å; A188-T191 VanDerWaalsContact O-OG1 3.04Å; T191-A194 PolarHBondContact O-N 3.1Å; T191-C195 PolarHBondContact O-N 3.3Å; T191-C195 PolarHBondContact O-SG 2.89Å
192	T	71.7	Confident	62.7	Low	75 Å²	75	67.9 Å²	67.9	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-46.1	175.2	-56.5	0	0	0	0	111.4	A188 D189 V190 A194 C195 E196	A188-T192 VanDerWaalsContact O-CB 3.29Å; A188-T192 WeakPolarHBondContact O-CB 3.19Å; A188-T192 PolarHBondContact O-N 3.45Å; A188-T192 PolarHBondContact O-OG1 2.86Å; D189-T192 PolarHBondContact O-N 3.38Å; V190-T192 PolarHBondContact O-N 3.19Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.31Å; T192-C195 PolarHBondContact O-N 3Å; T192-E196 WeakPolarHBondContact O-CG 3.42Å; T192-E196 PolarHBondContact O-N 3.41Å
193	R	71.7	Confident	65.2	Low	145 Å²	145	68.5 Å²	68.5	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-40.2	176.2	-73	171.1	-160.6	176.5	10.8	111.7	D189 V190 E196 H197	D189-R193 VanDerWaalsContact O-CB 3.31Å; D189-R193 WeakPolarHBondContact O-CB 3.24Å; D189-R193 WeakPolarHBondContact O-CG 3.25Å; D189-R193 PolarHBondContact O-N 3.5Å; D189-R193 IonicContact OD2-CZ 3.65Å; D189-R193 IonicContact OD2-NH2 3.57Å; D189-R193 PolarHBondContact OD2-NH2 2.84Å; V190-R193 PolarHBondContact O-N 2.92Å; R193-E196 PolarHBondContact O-N 3.24Å; R193-H197 VanDerWaalsContact O-CB 3.26Å; R193-H197 WeakPolarHBondContact O-CB 3.1Å; R193-H197 PolarHBondContact O-N 3.37Å
194	A	72.2	Confident	67.6	Low	28 Å²	28	69.5 Å²	69.5	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.8	0	0	0	0	0	111.8	V190 T191 T192 H197 M198	V190-A194 WeakPolarHBondContact O-CB 3.3Å; V190-A194 PolarHBondContact O-N 2.89Å; T191-A194 PolarHBondContact O-N 3.1Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.31Å; A194-H197 PolarHBondContact O-N 3.32Å; A194-M198 WeakPolarHBondContact O-CB 3.41Å; A194-M198 PolarHBondContact O-N 3.4Å
195	C	76.8	Confident	69.9	Low	18 Å²	18	67.6 Å²	67.6	12%	0.122	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-44	175.3	-67	0	0	0	0	112	T191 T192 H197 M198 Y199 L239	T191-C195 PolarHBondContact O-N 3.3Å; T191-C195 PolarHBondContact O-SG 2.89Å; T192-C195 PolarHBondContact O-N 3Å; C195-H197 PolarHBondContact O-N 3.47Å; C195-M198 PolarHBondContact O-N 2.89Å; C195-Y199 WeakPolarHBondContact O-CB 3.38Å; C195-Y199 PolarHBondContact O-N 3.44Å; C195-L239 HydrophobicContact CB-CD2 4.18Å
196	E	77.8	Confident	72.1	Confident	103 Å²	103	66.1 Å²	66.1	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-42.8	175.2	-74.9	-174.1	179.5	0	0	112.4	T192 R193 Y199 K200	T192-E196 WeakPolarHBondContact O-CG 3.42Å; T192-E196 PolarHBondContact O-N 3.41Å; R193-E196 PolarHBondContact O-N 3.24Å; E196-Y199 PolarHBondContact O-N 2.86Å; E196-K200 VanDerWaalsContact O-CG 3.3Å; E196-K200 WeakPolarHBondContact O-CG 3.16Å; E196-K200 PolarHBondContact O-N 2.97Å
197	H	79	Confident	74.2	Confident	82 Å²	82	68.7 Å²	68.7	38%	0.38	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-46.4	179.1	-168.9	-117.4	0	0	0	111.1	R193 A194 C195 Y199 K200 Y201 W319	R193-H197 VanDerWaalsContact O-CB 3.26Å; R193-H197 WeakPolarHBondContact O-CB 3.1Å; R193-H197 PolarHBondContact O-N 3.37Å; A194-H197 PolarHBondContact O-N 3.32Å; C195-H197 PolarHBondContact O-N 3.47Å; H197-Y199 PolarHBondContact O-N 2.82Å; H197-K200 WeakPolarHBondContact O-CB 3.47Å; H197-K200 PolarHBondContact O-N 3.42Å; H197-Y201 AromaticContact CE1-CD2 3.72Å; H197-Y201 AromaticContact CE1-CE2 3.36Å; H197-Y201 WeakPolarHBondContact CE1-CE2 3.43Å; H197-Y201 AromaticContact NE2-CD2 3.87Å; H197-Y201 AromaticContact NE2-CE2 3.42Å; H197-Y201 WeakPolarHBondContact NE2-CE2 3.21Å; H197-Y201 PolarHBondContact O-N 2.82Å; H197-W319 AromaticContact CE1-CE2 3.92Å; H197-W319 AromaticContact CE1-NE1 3.63Å
198	M	82.7	Confident	76.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-37	177.9	-173.6	-179.3	71.9	0	0	112.2	A194 C195 Y201 L202 F219 H235 L236 L239	A194-M198 WeakPolarHBondContact O-CB 3.41Å; A194-M198 PolarHBondContact O-N 3.4Å; C195-M198 PolarHBondContact O-N 2.89Å; M198-Y201 PolarHBondContact O-N 3.4Å; M198-L202 WeakPolarHBondContact O-CB 3.13Å; M198-L202 PolarHBondContact O-N 3.46Å; M198-F219 HydrophobicContact CG-CE1 3.74Å; M198-F219 HydrophobicContact CG-CZ 3.73Å; M198-F219 HydrophobicContact SD-CE1 4.15Å; M198-H235 HydrophobicContact CE-CB 3.64Å; M198-H235 WeakPolarHBondContact CE-O 3.05Å; M198-H235 HydrophobicContact SD-CB 3.82Å; M198-L236 HydrophobicContact CE-CB 3.87Å; M198-L236 HydrophobicContact CE-CD1 4.23Å; M198-L236 HydrophobicContact SD-CB 4.24Å; M198-L239 HydrophobicContact CE-CD1 3.29Å; M198-L239 HydrophobicContact CE-CG 3.71Å
199	Y	83.3	Confident	77.8	Confident	37 Å²	37	66.7 Å²	66.7	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-40.9	172.3	-177.9	-106.7	0	0	0	112.3	C195 E196 H197 L202 K203 L239 L244 V245 P258 L259	C195-Y199 WeakPolarHBondContact O-CB 3.38Å; C195-Y199 PolarHBondContact O-N 3.44Å; E196-Y199 PolarHBondContact O-N 2.86Å; H197-Y199 PolarHBondContact O-N 2.82Å; Y199-L202 PolarHBondContact O-N 3.08Å; Y199-K203 WeakPolarHBondContact O-CB 3.25Å; Y199-K203 PolarHBondContact O-N 3.43Å; Y199-L239 HydrophobicContact CD2-CD1 4.33Å; Y199-L244 HydrophobicContact CD2-CB 4.12Å; Y199-L244 HydrophobicContact CE2-CB 3.97Å; Y199-L244 WeakPolarHBondContact CE2-O 3.49Å; Y199-V245 HydrophobicContact CD2-CG2 4.27Å; Y199-P258 HydrophobicContact CE2-CB 4.1Å; Y199-L259 PolarHBondContact OH-O 3.17Å
200	K	83.6	Confident	78.9	Confident	129 Å²	129	69.8 Å²	69.8	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-60.7	-43.9	173.6	-73.2	168	-174	166.1	0	111.4	E196 H197 K203 K204	E196-K200 VanDerWaalsContact O-CG 3.3Å; E196-K200 WeakPolarHBondContact O-CG 3.16Å; E196-K200 PolarHBondContact O-N 2.97Å; H197-K200 WeakPolarHBondContact O-CB 3.47Å; H197-K200 PolarHBondContact O-N 3.42Å; K200-K203 WeakPolarHBondContact O-CB 2.91Å; K200-K203 PolarHBondContact O-N 3.31Å; K200-K204 PolarHBondContact O-N 3.09Å
201	Y	84.6	Confident	79.7	Confident	61 Å²	61	75.1 Å²	75.1	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-44.5	176.6	-99.5	-89.8	0	0	0	112.6	H197 M198 K203 K204 A205 W319	H197-Y201 AromaticContact CE1-CD2 3.72Å; H197-Y201 AromaticContact CE1-CE2 3.36Å; H197-Y201 WeakPolarHBondContact CE1-CE2 3.43Å; H197-Y201 AromaticContact NE2-CD2 3.87Å; H197-Y201 AromaticContact NE2-CE2 3.42Å; H197-Y201 WeakPolarHBondContact NE2-CE2 3.21Å; H197-Y201 PolarHBondContact O-N 2.82Å; M198-Y201 PolarHBondContact O-N 3.4Å; Y201-K203 PolarHBondContact O-N 2.94Å; Y201-K204 PolarHBondContact O-N 3.35Å; Y201-K204 VanDerWaalsContact O-N 3.12Å; Y201-A205 WeakPolarHBondContact O-CB 3.42Å; Y201-A205 PolarHBondContact O-N 3.04Å; Y201-W319 HydrophobicContact CD1-CZ2 4.32Å; Y201-W319 AromaticContact CD2-CZ2 3.84Å; Y201-W319 HydrophobicContact CD2-CZ2 3.84Å; Y201-W319 AromaticContact CD2-NE1 3.73Å; Y201-W319 AromaticContact CE1-NE1 3.57Å; Y201-W319 HydrophobicContact CE2-CZ2 4.23Å; Y201-W319 AromaticContact CE2-NE1 3.19Å; Y201-W319 AromaticContact CG-CZ2 3.9Å; Y201-W319 HydrophobicContact CG-CZ2 3.9Å; Y201-W319 AromaticContact CZ-CD1 3.87Å; Y201-W319 AromaticContact CZ-NE1 3.08Å; Y201-W319 PolarHBondContact OH-NE1 2.89Å
202	L	85.3	Confident	80.4	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-58.5	-40	175.3	-176.5	65.3	0	0	0	111.2	M198 Y199 A205 Y206 V214 F219 V245 L256 P258	M198-L202 WeakPolarHBondContact O-CB 3.13Å; M198-L202 PolarHBondContact O-N 3.46Å; Y199-L202 PolarHBondContact O-N 3.08Å; L202-A205 PolarHBondContact O-N 3.32Å; L202-Y206 VanDerWaalsContact O-CB 3.26Å; L202-Y206 WeakPolarHBondContact O-CB 3.32Å; L202-Y206 PolarHBondContact O-N 3.21Å; L202-V214 HydrophobicContact CD1-CB 4.26Å; L202-V214 HydrophobicContact CD1-CG2 4.33Å; L202-F219 HydrophobicContact CB-CE1 4.48Å; L202-F219 HydrophobicContact CB-CE2 3.89Å; L202-F219 HydrophobicContact CB-CZ 3.68Å; L202-F219 HydrophobicContact CD1-CD2 4.06Å; L202-F219 HydrophobicContact CD1-CE1 4.36Å; L202-F219 HydrophobicContact CD1-CE2 3.89Å; L202-F219 HydrophobicContact CD1-CG 4.38Å; L202-F219 HydrophobicContact CD1-CZ 4.05Å; L202-F219 HydrophobicContact CG-CZ 4.41Å; L202-V245 HydrophobicContact CD2-CB 4.22Å; L202-V245 HydrophobicContact CD2-CG1 3.77Å; L202-V245 HydrophobicContact CD2-CG2 3.34Å; L202-L256 HydrophobicContact CD1-CB 3.81Å; L202-L256 HydrophobicContact CD1-CD1 4.29Å; L202-L256 HydrophobicContact CD2-CB 4.45Å; L202-P258 HydrophobicContact CD2-CB 4.29Å; L202-P258 HydrophobicContact CG-CB 4.48Å
203	K	84.2	Confident	80.9	Confident	88 Å²	88	77.2 Å²	77.2	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-66.9	-38.4	176.1	-166	175.6	-176.4	175.1	0	112.7	Y199 K200 Y201 R207	Y199-K203 WeakPolarHBondContact O-CB 3.25Å; Y199-K203 PolarHBondContact O-N 3.43Å; K200-K203 WeakPolarHBondContact O-CB 2.91Å; K200-K203 PolarHBondContact O-N 3.31Å; Y201-K203 PolarHBondContact O-N 2.94Å; K203-R207 WeakPolarHBondContact O-CB 3.42Å; K203-R207 VanDerWaalsContact O-CG 3.23Å; K203-R207 WeakPolarHBondContact O-CG 3.35Å; K203-R207 PolarHBondContact O-N 2.98Å; K203-R207 VanDerWaalsContact O-N 3.1Å
204	K	83.8	Confident	81.4	Confident	94 Å²	94	71 Å²	71	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-48	172.9	-169.8	178.2	179.2	-178.6	0	110.1	K200 Y201 Y206 R207 N208 E315	K200-K204 PolarHBondContact O-N 3.09Å; Y201-K204 PolarHBondContact O-N 3.35Å; Y201-K204 VanDerWaalsContact O-N 3.12Å; K204-Y206 PolarHBondContact O-N 3.48Å; K204-R207 PolarHBondContact O-N 2.9Å; K204-N208 WeakPolarHBondContact O-CB 3.49Å; K204-N208 VanDerWaalsContact O-CG 3.22Å; K204-N208 PolarHBondContact O-N 3.04Å; K204-N208 PolarHBondContact O-OD1 3.1Å; K204-E315 IonicContact NZ-OE2 2.63Å; K204-E315 PolarHBondContact NZ-OE2 2.75Å; K204-E315 VanDerWaalsContact NZ-OE2 3.07Å
205	A	81.6	Confident	81.9	Confident	20 Å²	20	71.2 Å²	71.2	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-44.4	178.2	0	0	0	0	0	112.6	Y201 L202 R207 N208 N209 V214	Y201-A205 WeakPolarHBondContact O-CB 3.42Å; Y201-A205 PolarHBondContact O-N 3.04Å; L202-A205 PolarHBondContact O-N 3.32Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 3.34Å; A205-N208 PolarHBondContact O-N 2.91Å; A205-N209 WeakPolarHBondContact O-CB 3.3Å; A205-N209 PolarHBondContact O-N 3.22Å; A205-V214 HydrophobicContact CB-CG1 4.39Å; A205-V214 HydrophobicContact CB-CG2 4Å
206	Y	83.1	Confident	82.3	Confident	40 Å²	40	71.1 Å²	71.1	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-38.5	176.2	-178.9	-96.8	0	0	0	112.2	L202 K204 N209 K211 K212 E257 P258	L202-Y206 VanDerWaalsContact O-CB 3.26Å; L202-Y206 WeakPolarHBondContact O-CB 3.32Å; L202-Y206 PolarHBondContact O-N 3.21Å; K204-Y206 PolarHBondContact O-N 3.48Å; Y206-N209 PolarHBondContact O-N 3.03Å; Y206-K211 HydrophobicContact CD1-CB 4.39Å; Y206-K211 HydrophobicContact CE1-CB 3.68Å; Y206-K211 HydrophobicContact CE1-CG 4.02Å; Y206-K211 WeakPolarHBondContact CE2-O 3.3Å; Y206-K211 VanDerWaalsContact CZ-O 3.29Å; Y206-K211 VanDerWaalsContact O-CA 3.25Å; Y206-K211 WeakPolarHBondContact O-CA 3.44Å; Y206-K211 PolarHBondContact O-N 3.1Å; Y206-K211 PolarHBondContact OH-O 2.8Å; Y206-K212 WeakPolarHBondContact CD2-O 3.29Å; Y206-E257 HydrophobicContact CD2-CG 4.48Å; Y206-E257 HydrophobicContact CE2-CB 4.36Å; Y206-E257 HydrophobicContact CE2-CG 3.76Å; Y206-E257 PolarHBondContact OH-OE1 3.31Å; Y206-P258 HydrophobicContact CD1-CG 3.98Å; Y206-P258 HydrophobicContact CD2-CG 4.33Å; Y206-P258 HydrophobicContact CG-CG 3.83Å
207	R	83.6	Confident	82.5	Confident	163 Å²	163	68.1 Å²	68.1	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-66.1	-46.1	174	-76	171.7	177.5	-174.2	-3.8	112	K203 K204 A205 N209 N210	K203-R207 WeakPolarHBondContact O-CB 3.42Å; K203-R207 VanDerWaalsContact O-CG 3.23Å; K203-R207 WeakPolarHBondContact O-CG 3.35Å; K203-R207 PolarHBondContact O-N 2.98Å; K203-R207 VanDerWaalsContact O-N 3.1Å; K204-R207 PolarHBondContact O-N 2.9Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 3.34Å; R207-N209 PolarHBondContact O-N 2.95Å; R207-N210 PolarHBondContact O-N 3.42Å
208	N	81.8	Confident	82.4	Confident	91 Å²	91	68.5 Å²	68.5	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-27.1	179	-67	-0.7	0	0	0	112	K204 A205 N210 F307	K204-N208 WeakPolarHBondContact O-CB 3.49Å; K204-N208 VanDerWaalsContact O-CG 3.22Å; K204-N208 PolarHBondContact O-N 3.04Å; K204-N208 PolarHBondContact O-OD1 3.1Å; A205-N208 PolarHBondContact O-N 2.91Å; N208-N210 VanDerWaalsContact C-N 3.25Å; N208-N210 PolarHBondContact O-N 2.96Å; N208-F307 HydrophobicContact CB-CE1 3.95Å; N208-F307 HydrophobicContact CB-CZ 3.61Å
209	N	80.9	Confident	82.5	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	28.7	176.5	-161.7	34.7	0	0	0	113.2	A205 Y206 R207 K211 K212 P213	A205-N209 WeakPolarHBondContact O-CB 3.3Å; A205-N209 PolarHBondContact O-N 3.22Å; Y206-N209 PolarHBondContact O-N 3.03Å; R207-N209 PolarHBondContact O-N 2.95Å; N209-K211 VanDerWaalsContact C-N 3.28Å; N209-K211 PolarHBondContact O-N 3.32Å; N209-K212 PolarHBondContact ND2-O 2.59Å; N209-K212 VanDerWaalsContact O-CB 3.25Å; N209-K212 WeakPolarHBondContact O-CB 3.3Å; N209-K212 WeakPolarHBondContact O-CG 3.49Å; N209-K212 PolarHBondContact O-N 3.29Å; N209-P213 PolarHBondContact ND2-O 3.19Å
210	N	81.4	Confident	82.4	Confident	138 Å²	138	68.6 Å²	68.6	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.9	-179.5	-69.3	-26.3	0	0	0	114.4	R207 N208 K212	R207-N210 PolarHBondContact O-N 3.42Å; N208-N210 VanDerWaalsContact C-N 3.25Å; N208-N210 PolarHBondContact O-N 2.96Å; N210-K212 PolarHBondContact O-N 3.27Å
211	K	79.7	Confident	82.3	Confident	156 Å²	156	63.8 Å²	63.8	68%	0.678	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	26.9	-175	-53.2	176.9	-177.5	173.1	0	113.5	Y206 N209	Y206-K211 HydrophobicContact CD1-CB 4.39Å; Y206-K211 HydrophobicContact CE1-CB 3.68Å; Y206-K211 HydrophobicContact CE1-CG 4.02Å; Y206-K211 WeakPolarHBondContact CE2-O 3.3Å; Y206-K211 VanDerWaalsContact CZ-O 3.29Å; Y206-K211 VanDerWaalsContact O-CA 3.25Å; Y206-K211 WeakPolarHBondContact O-CA 3.44Å; Y206-K211 PolarHBondContact O-N 3.1Å; Y206-K211 PolarHBondContact OH-O 2.8Å; N209-K211 VanDerWaalsContact C-N 3.28Å; N209-K211 PolarHBondContact O-N 3.32Å
212	K	80.3	Confident	82.1	Confident	132 Å²	132	62.5 Å²	62.5	57%	0.574	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-91.4	142.8	170.6	-63.6	-176.4	177.1	-176	0	110.1	Y206 N209 N210 V214	Y206-K212 WeakPolarHBondContact CD2-O 3.29Å; N209-K212 PolarHBondContact ND2-O 2.59Å; N209-K212 VanDerWaalsContact O-CB 3.25Å; N209-K212 WeakPolarHBondContact O-CB 3.3Å; N209-K212 WeakPolarHBondContact O-CG 3.49Å; N209-K212 PolarHBondContact O-N 3.29Å; N210-K212 PolarHBondContact O-N 3.27Å; K212-V214 PolarHBondContact O-N 3.31Å
213	P	81	Confident	81.4	Confident	41 Å²	41	66.1 Å²	66.1	27%	0.266	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-49.7	134.6	174.3	-27.8	35.4	0	0	0	112.2	N209 L256	N209-P213 PolarHBondContact ND2-O 3.19Å; P213-L256 WeakPolarHBondContact CA-O 3.3Å
214	V	83	Confident	80.7	Confident	14 Å²	14	66.5 Å²	66.5	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.9	-175.2	-179.7	0	0	0	0	109.3	L202 A205 K212 F216 F219 S255 L256	L202-V214 HydrophobicContact CD1-CB 4.26Å; L202-V214 HydrophobicContact CD1-CG2 4.33Å; A205-V214 HydrophobicContact CB-CG1 4.39Å; A205-V214 HydrophobicContact CB-CG2 4Å; K212-V214 PolarHBondContact O-N 3.31Å; V214-F216 PolarHBondContact O-N 3.25Å; V214-F219 HydrophobicContact CG1-CB 4.26Å; V214-F219 HydrophobicContact CG1-CD2 4.37Å; V214-S255 CarbonylContact O-C 3.41Å; V214-S255 WeakPolarHBondContact O-CA 3.39Å; V214-L256 PolarHBondContact N-O 2.87Å; V214-L256 PolarHBondContact O-N 3.16Å
215	N	83.1	Confident	80.4	Confident	34 Å²	34	65.5 Å²	65.5	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.3	178.7	-178.6	-80.2	0	0	0	111.5	F217 R218 F219	N215-F217 PolarHBondContact OD1-N 3.33Å; N215-F217 VanDerWaalsContact OD1-N 3.11Å; N215-R218 HydrophobicContact CB-CB 3.94Å; N215-R218 PolarHBondContact O-N 3.33Å; N215-R218 PolarHBondContact OD1-N 3.45Å; N215-R218 VanDerWaalsContact OD1-N 3.08Å; N215-F219 PolarHBondContact O-N 3.44Å; N215-F219 VanDerWaalsContact O-N 3.12Å
216	F	84.8	Confident	80.3	Confident	16 Å²	16	67.4 Å²	67.4	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-54.6	-175.9	171.6	-98.1	0	0	0	112.7	V214 R218 F219 I220 L233 L236 I254 L256 F288	V214-F216 PolarHBondContact O-N 3.25Å; F216-R218 VanDerWaalsContact C-N 3.27Å; F216-R218 PolarHBondContact O-N 2.89Å; F216-F219 WeakPolarHBondContact O-CB 3.34Å; F216-F219 PolarHBondContact O-N 3.19Å; F216-I220 HydrophobicContact CD1-CD1 3.96Å; F216-I220 HydrophobicContact CE1-CD1 3.31Å; F216-I220 HydrophobicContact CE1-CG1 4.31Å; F216-I220 HydrophobicContact CE2-CD1 4.24Å; F216-I220 HydrophobicContact CE2-CG2 4.33Å; F216-I220 HydrophobicContact CZ-CD1 3.5Å; F216-I220 VanDerWaalsContact CZ-CD1 3.5Å; F216-I220 WeakPolarHBondContact O-CG1 3.43Å; F216-I220 PolarHBondContact O-N 2.96Å; F216-I220 VanDerWaalsContact O-N 3.08Å; F216-L233 HydrophobicContact CE2-CD1 4.38Å; F216-L233 HydrophobicContact CZ-CD1 3.83Å; F216-L236 HydrophobicContact CD2-CD2 3.9Å; F216-L236 HydrophobicContact CE2-CD2 3.53Å; F216-I254 HydrophobicContact CB-CB 3.74Å; F216-I254 HydrophobicContact CB-CG2 3.72Å; F216-I254 WeakPolarHBondContact CB-O 3.1Å; F216-I254 HydrophobicContact CD2-CG2 4.24Å; F216-I254 HydrophobicContact CG-CB 4.21Å; F216-I254 HydrophobicContact CG-CG2 4Å; F216-I254 PolarHBondContact N-O 3.07Å; F216-L256 HydrophobicContact CB-CG 4.47Å; F216-L256 HydrophobicContact CD2-CD1 4.22Å; F216-L256 HydrophobicContact CD2-CD2 4.08Å; F216-L256 HydrophobicContact CD2-CG 4.27Å; F216-F288 HydrophobicContact CE1-CD2 4.35Å; F216-F288 AromaticContact CE1-CE2 3.51Å; F216-F288 HydrophobicContact CE1-CE2 3.51Å; F216-F288 AromaticContact CE1-CZ 3.77Å; F216-F288 HydrophobicContact CE1-CZ 3.77Å; F216-F288 HydrophobicContact CZ-CD2 4.22Å; F216-F288 AromaticContact CZ-CE2 3.8Å; F216-F288 HydrophobicContact CZ-CE2 3.8Å; F216-F288 HydrophobicContact CZ-CZ 4.12Å
217	F	81.8	Confident	80	Confident	40 Å²	40	69.4 Å²	69.4	18%	0.175	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-38.5	-178.7	-69	-71.3	0	0	0	111.4	N215 F219 I220 L221 F288 F304	N215-F217 PolarHBondContact OD1-N 3.33Å; N215-F217 VanDerWaalsContact OD1-N 3.11Å; F217-F219 PolarHBondContact O-N 2.97Å; F217-I220 PolarHBondContact O-N 2.93Å; F217-L221 HydrophobicContact CB-CD1 3.92Å; F217-L221 HydrophobicContact CB-CG 4.49Å; F217-L221 HydrophobicContact CD1-CD1 4.45Å; F217-L221 VanDerWaalsContact O-CB 3.25Å; F217-L221 WeakPolarHBondContact O-CB 3.43Å; F217-L221 WeakPolarHBondContact O-CD1 3.48Å; F217-L221 WeakPolarHBondContact O-CG 3.28Å; F217-L221 PolarHBondContact O-N 3.24Å; F217-L221 VanDerWaalsContact O-N 3.14Å; F217-F288 HydrophobicContact CE1-CE2 4.48Å; F217-F288 HydrophobicContact CE1-CZ 4.24Å; F217-F304 HydrophobicContact CB-CD1 3.56Å; F217-F304 HydrophobicContact CB-CD2 4.5Å; F217-F304 HydrophobicContact CB-CE1 3.7Å; F217-F304 HydrophobicContact CB-CG 4.01Å; F217-F304 HydrophobicContact CB-CZ 4.26Å; F217-F304 AromaticContact CD2-CE1 3.83Å; F217-F304 HydrophobicContact CD2-CE1 3.83Å; F217-F304 AromaticContact CD2-CZ 3.9Å; F217-F304 HydrophobicContact CD2-CZ 3.9Å; F217-F304 HydrophobicContact CG-CD1 4.39Å; F217-F304 HydrophobicContact CG-CE1 4.09Å; F217-F304 HydrophobicContact CG-CZ 4.24Å
218	R	77.4	Confident	79.8	Confident	90 Å²	90	62.8 Å²	62.8	34%	0.34	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-26.2	175.4	-167.6	176.1	-173.6	-162.9	-1.5	113.2	N215 F216 H305 A306	N215-R218 HydrophobicContact CB-CB 3.94Å; N215-R218 PolarHBondContact O-N 3.33Å; N215-R218 PolarHBondContact OD1-N 3.45Å; N215-R218 VanDerWaalsContact OD1-N 3.08Å; F216-R218 VanDerWaalsContact C-N 3.27Å; F216-R218 PolarHBondContact O-N 2.89Å; R218-H305 PolarHBondContact NE-O 3.44Å; R218-H305 VanDerWaalsContact NE-O 3.08Å; R218-A306 PolarHBondContact NH2-O 2.95Å
219	F	83.4	Confident	79.8	Confident	41 Å²	41	58.5 Å²	58.5	18%	0.18	30%	0.298	C	S	.	.	H	α-helix	trans	-86.3	-37.1	-179.1	-173.5	-103.8	0	0	0	112.8	M198 L202 V214 N215 F216 F217 L236 L256	M198-F219 HydrophobicContact CG-CE1 3.74Å; M198-F219 HydrophobicContact CG-CZ 3.73Å; M198-F219 HydrophobicContact SD-CE1 4.15Å; L202-F219 HydrophobicContact CB-CE1 4.48Å; L202-F219 HydrophobicContact CB-CE2 3.89Å; L202-F219 HydrophobicContact CB-CZ 3.68Å; L202-F219 HydrophobicContact CD1-CD2 4.06Å; L202-F219 HydrophobicContact CD1-CE1 4.36Å; L202-F219 HydrophobicContact CD1-CE2 3.89Å; L202-F219 HydrophobicContact CD1-CG 4.38Å; L202-F219 HydrophobicContact CD1-CZ 4.05Å; L202-F219 HydrophobicContact CG-CZ 4.41Å; V214-F219 HydrophobicContact CG1-CB 4.26Å; V214-F219 HydrophobicContact CG1-CD2 4.37Å; N215-F219 PolarHBondContact O-N 3.44Å; N215-F219 VanDerWaalsContact O-N 3.12Å; F216-F219 WeakPolarHBondContact O-CB 3.34Å; F216-F219 PolarHBondContact O-N 3.19Å; F217-F219 PolarHBondContact O-N 2.97Å; F219-L236 HydrophobicContact CE1-CD1 4.45Å; F219-L256 HydrophobicContact CB-CD1 4.06Å; F219-L256 HydrophobicContact CD1-CD1 3.57Å; F219-L256 HydrophobicContact CE1-CD1 4.33Å; F219-L256 HydrophobicContact CG-CD1 3.99Å
220	I	82.8	Confident	79.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-93.6	-26.3	-173.2	66.8	169.1	0	0	0	114.6	F216 F217 H222 N232 L233 L236 F288	F216-I220 HydrophobicContact CD1-CD1 3.96Å; F216-I220 HydrophobicContact CE1-CD1 3.31Å; F216-I220 HydrophobicContact CE1-CG1 4.31Å; F216-I220 HydrophobicContact CE2-CD1 4.24Å; F216-I220 HydrophobicContact CE2-CG2 4.33Å; F216-I220 HydrophobicContact CZ-CD1 3.5Å; F216-I220 VanDerWaalsContact CZ-CD1 3.5Å; F216-I220 WeakPolarHBondContact O-CG1 3.43Å; F216-I220 PolarHBondContact O-N 2.96Å; F216-I220 VanDerWaalsContact O-N 3.08Å; F217-I220 PolarHBondContact O-N 2.93Å; I220-H222 PolarHBondContact O-N 3.19Å; I220-N232 HydrophobicContact CB-CB 4.44Å; I220-N232 PolarHBondContact O-ND2 2.68Å; I220-L233 HydrophobicContact CD1-CD1 4.22Å; I220-L236 HydrophobicContact CG2-CD2 3.68Å; I220-F288 HydrophobicContact CD1-CZ 4.38Å
221	L	81.8	Confident	79.7	Confident	28 Å²	28	55.9 Å²	55.9	15%	0.147	28%	0.284	C	S	.	.			trans	-77.4	121.2	-170.5	-70.2	173.4	0	0	0	112.4	F217 T229 A298 F304	F217-L221 HydrophobicContact CB-CD1 3.92Å; F217-L221 HydrophobicContact CB-CG 4.49Å; F217-L221 HydrophobicContact CD1-CD1 4.45Å; F217-L221 VanDerWaalsContact O-CB 3.25Å; F217-L221 WeakPolarHBondContact O-CB 3.43Å; F217-L221 WeakPolarHBondContact O-CD1 3.48Å; F217-L221 WeakPolarHBondContact O-CG 3.28Å; F217-L221 PolarHBondContact O-N 3.24Å; F217-L221 VanDerWaalsContact O-N 3.14Å; L221-T229 HydrophobicContact CD2-CG2 3.82Å; L221-A298 HydrophobicContact CD1-CB 3.86Å; L221-A298 HydrophobicContact CD2-CB 4.48Å; L221-F304 HydrophobicContact CD1-CB 4.16Å
222	H	78.9	Confident	79.9	Confident	34 Å²	34	49.2 Å²	49.2	16%	0.157	26%	0.256	C	S	.	.			trans	-88.2	137.6	168.5	-169.2	-88.7	0	0	0	110.8	I220 T224 K225 T228 T229 W295	I220-H222 PolarHBondContact O-N 3.19Å; H222-T224 VanDerWaalsContact C-N 3.34Å; H222-T224 PolarHBondContact CE1-OG1 3.06Å; H222-T224 PolarHBondContact ND1-N 3.42Å; H222-T224 PolarHBondContact O-N 3.11Å; H222-K225 WeakPolarHBondContact CB-O 3.48Å; H222-K225 VanDerWaalsContact ND1-CB 3.34Å; H222-K225 WeakPolarHBondContact ND1-CB 3.41Å; H222-K225 PolarHBondContact ND1-N 2.89Å; H222-T228 HydrophobicContact CB-CG2 4.13Å; H222-T229 PolarHBondContact N-OG1 3.37Å; H222-W295 WeakPolarHBondContact O-CZ2 3.21Å; H222-W295 PolarHBondContact O-NE1 2.95Å
223	P	70.5	Confident	80.2	Confident	76 Å²	76	44.4 Å²	44.4	49%	0.494	24%	0.237	S	C	.	.	S	Bend	trans	-70.8	-21.7	-170.8	26.3	-36.3	0	0	0	115	K299	P223-K299 VanDerWaalsContact O-CD 3.27Å; P223-K299 WeakPolarHBondContact O-CD 3.27Å; P223-K299 WeakPolarHBondContact O-CE 3.35Å; P223-K299 PolarHBondContact O-NZ 3.37Å
224	T	70.8	Confident	80.2	Confident	96 Å²	96	47.4 Å²	47.4	59%	0.589	25%	0.246	S	C	*	.	S	Bend	trans	-133.4	-14.3	-172.6	54	0	0	0	0	114.5	H222	H222-T224 VanDerWaalsContact C-N 3.34Å; H222-T224 PolarHBondContact CE1-OG1 3.06Å; H222-T224 PolarHBondContact ND1-N 3.42Å; H222-T224 PolarHBondContact O-N 3.11Å
225	K	76.6	Confident	80.1	Confident	74 Å²	74	47.4 Å²	47.4	32%	0.322	25%	0.245	S	C	.	.			trans	-125.3	110.5	-171.1	-60.6	-175.8	176.6	-171.9	0	110.2	H222 T228 T229	H222-K225 WeakPolarHBondContact CB-O 3.48Å; H222-K225 VanDerWaalsContact ND1-CB 3.34Å; H222-K225 WeakPolarHBondContact ND1-CB 3.41Å; H222-K225 PolarHBondContact ND1-N 2.89Å; K225-T228 WeakPolarHBondContact CB-OG1 3.45Å; K225-T229 PolarHBondContact O-N 3.23Å; K225-T229 PolarHBondContact O-OG1 3.29Å
226	F	78.9	Confident	80.2	Confident	60 Å²	60	46 Å²	46	26%	0.263	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-41.8	176.6	175.6	-109.2	0	0	0	111.5	T228 T229 V230 L290 F292 W295	F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 3.39Å; F226-T229 WeakPolarHBondContact O-CA 3.22Å; F226-T229 VanDerWaalsContact O-CB 3.28Å; F226-T229 WeakPolarHBondContact O-CB 3.29Å; F226-T229 PolarHBondContact O-N 3.16Å; F226-V230 HydrophobicContact CD1-CG2 4.25Å; F226-V230 HydrophobicContact CE1-CG2 3.77Å; F226-V230 HydrophobicContact CE2-CG2 4.1Å; F226-V230 HydrophobicContact CZ-CG2 3.69Å; F226-V230 PolarHBondContact O-N 3Å; F226-L290 HydrophobicContact CE2-CD2 4.37Å; F226-L290 HydrophobicContact CE2-CG 4.46Å; F226-F292 HydrophobicContact CB-CD2 4.02Å; F226-F292 HydrophobicContact CB-CE2 4.12Å; F226-F292 HydrophobicContact CD1-CD2 4.26Å; F226-F292 HydrophobicContact CD2-CD2 4.3Å; F226-F292 AromaticContact CG-CD2 3.93Å; F226-F292 HydrophobicContact CG-CD2 3.93Å; F226-W295 HydrophobicContact CB-CD2 4.08Å; F226-W295 HydrophobicContact CB-CE3 4.06Å; F226-W295 HydrophobicContact CB-CH2 4.3Å; F226-W295 HydrophobicContact CB-CZ2 4.32Å; F226-W295 HydrophobicContact CB-CZ3 4.17Å; F226-W295 HydrophobicContact CD2-CB 3.79Å; F226-W295 AromaticContact CD2-CD2 3.86Å; F226-W295 HydrophobicContact CD2-CD2 3.86Å; F226-W295 HydrophobicContact CD2-CE3 4.28Å; F226-W295 AromaticContact CD2-CG 3.62Å; F226-W295 HydrophobicContact CD2-CG 3.62Å; F226-W295 HydrophobicContact CE2-CB 4.03Å; F226-W295 HydrophobicContact CE2-CG 4.31Å; F226-W295 HydrophobicContact CG-CD2 4.45Å
227	S	78.8	Confident	80.1	Confident	82 Å²	82	48.7 Å²	48.7	57%	0.573	26%	0.255	S	S	*	.	H	α-helix	trans	-53.4	-47.3	177.1	50.3	0	0	0	0	112.3	T229 V230 E231	S227-T229 VanDerWaalsContact C-N 3.27Å; S227-T229 PolarHBondContact O-N 3.33Å; S227-V230 WeakPolarHBondContact O-CB 3.27Å; S227-V230 PolarHBondContact O-N 3Å; S227-V230 VanDerWaalsContact O-N 3.08Å; S227-E231 PolarHBondContact O-N 3.22Å
228	T	78.3	Confident	80	Confident	23 Å²	23	50.7 Å²	50.7	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-33	176.7	-48.3	0	0	0	0	112.5	H222 K225 F226 E231 N232	H222-T228 HydrophobicContact CB-CG2 4.13Å; K225-T228 WeakPolarHBondContact CB-OG1 3.45Å; F226-T228 VanDerWaalsContact C-N 3.32Å; F226-T228 PolarHBondContact O-N 3.39Å; T228-E231 PolarHBondContact O-N 3.49Å; T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 PolarHBondContact O-N 2.79Å; T228-N232 PolarHBondContact O-ND2 3.16Å; T228-N232 PolarHBondContact O-OD1 3.39Å
229	T	81.3	Confident	80.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-40.2	174.7	-57.9	0	0	0	0	111.3	L221 H222 K225 F226 S227 L233 L290 W295	L221-T229 HydrophobicContact CD2-CG2 3.82Å; H222-T229 PolarHBondContact N-OG1 3.37Å; K225-T229 PolarHBondContact O-N 3.23Å; K225-T229 PolarHBondContact O-OG1 3.29Å; F226-T229 WeakPolarHBondContact O-CA 3.22Å; F226-T229 VanDerWaalsContact O-CB 3.28Å; F226-T229 WeakPolarHBondContact O-CB 3.29Å; F226-T229 PolarHBondContact O-N 3.16Å; S227-T229 VanDerWaalsContact C-N 3.27Å; S227-T229 PolarHBondContact O-N 3.33Å; T229-L233 WeakPolarHBondContact O-CB 3.31Å; T229-L233 PolarHBondContact O-N 2.92Å; T229-L290 HydrophobicContact CG2-CD2 3.91Å; T229-W295 PolarHBondContact OG1-NE1 3.48Å
230	V	81.5	Confident	80.2	Confident	70 Å²	70	47.5 Å²	47.5	42%	0.424	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-40.8	176	176.3	0	0	0	0	110.8	F226 S227 L233 F234	F226-V230 HydrophobicContact CD1-CG2 4.25Å; F226-V230 HydrophobicContact CE1-CG2 3.77Å; F226-V230 HydrophobicContact CE2-CG2 4.1Å; F226-V230 HydrophobicContact CZ-CG2 3.69Å; F226-V230 PolarHBondContact O-N 3Å; S227-V230 WeakPolarHBondContact O-CB 3.27Å; S227-V230 PolarHBondContact O-N 3Å; S227-V230 VanDerWaalsContact O-N 3.08Å; V230-L233 WeakPolarHBondContact O-CB 3.27Å; V230-L233 PolarHBondContact O-N 3.25Å; V230-F234 WeakPolarHBondContact O-CB 3.24Å; V230-F234 PolarHBondContact O-N 2.8Å
231	E	79.5	Confident	79.8	Confident	64 Å²	64	54 Å²	54	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-45.8	176.4	-171.9	178	-177.9	0	0	112.2	S227 T228 L233 F234 H235	S227-E231 PolarHBondContact O-N 3.22Å; T228-E231 PolarHBondContact O-N 3.49Å; E231-L233 VanDerWaalsContact C-N 3.28Å; E231-L233 PolarHBondContact O-N 2.98Å; E231-F234 WeakPolarHBondContact O-CB 2.96Å; E231-F234 PolarHBondContact O-N 3.12Å; E231-F234 VanDerWaalsContact O-N 3.14Å; E231-H235 WeakPolarHBondContact CG-NE2 3.33Å; E231-H235 PolarHBondContact O-CD2 3.43Å; E231-H235 PolarHBondContact O-N 2.97Å; E231-H235 IonicContact OE1-NE2 2.76Å
232	N	84.2	Confident	79.6	Confident	17 Å²	17	56.2 Å²	56.2	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-56.6	-43.4	173.6	-71.1	-15.9	0	0	0	111.9	I220 T228 L236 W319	I220-N232 HydrophobicContact CB-CB 4.44Å; I220-N232 PolarHBondContact O-ND2 2.68Å; T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 PolarHBondContact O-N 2.79Å; T228-N232 PolarHBondContact O-ND2 3.16Å; T228-N232 PolarHBondContact O-OD1 3.39Å; N232-L236 WeakPolarHBondContact O-CB 2.89Å; N232-L236 PolarHBondContact O-N 3.45Å; N232-W319 WeakPolarHBondContact OD1-CZ3 3.4Å
233	L	85.8	Confident	79.5	Confident	31 Å²	31	56.2 Å²	56.2	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-46.2	176.5	-179.9	70.9	0	0	0	111	F216 I220 T229 V230 E231 H235 L236 T237 F288	F216-L233 HydrophobicContact CE2-CD1 4.38Å; F216-L233 HydrophobicContact CZ-CD1 3.83Å; I220-L233 HydrophobicContact CD1-CD1 4.22Å; T229-L233 WeakPolarHBondContact O-CB 3.31Å; T229-L233 PolarHBondContact O-N 2.92Å; V230-L233 WeakPolarHBondContact O-CB 3.27Å; V230-L233 PolarHBondContact O-N 3.25Å; E231-L233 VanDerWaalsContact C-N 3.28Å; E231-L233 PolarHBondContact O-N 2.98Å; L233-H235 PolarHBondContact O-N 3.27Å; L233-L236 WeakPolarHBondContact O-CB 2.84Å; L233-L236 PolarHBondContact O-N 2.82Å; L233-L236 VanDerWaalsContact O-N 3.13Å; L233-T237 VanDerWaalsContact O-CG2 3.3Å; L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 2.94Å; L233-F288 HydrophobicContact CD1-CD1 3.99Å; L233-F288 HydrophobicContact CD1-CE1 4.14Å; L233-F288 HydrophobicContact CD1-CG 4.28Å; L233-F288 HydrophobicContact CD2-CB 4.49Å; L233-F288 HydrophobicContact CD2-CD1 3.24Å; L233-F288 HydrophobicContact CD2-CE1 3.63Å; L233-F288 HydrophobicContact CD2-CG 4.12Å; L233-F288 HydrophobicContact CG-CD1 4.26Å
234	F	82.4	Confident	79.9	Confident	103 Å²	103	54.5 Å²	54.5	45%	0.452	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-51.3	178.1	174.9	-105.6	0	0	0	111.3	V230 E231 L236 T237 F238	V230-F234 WeakPolarHBondContact O-CB 3.24Å; V230-F234 PolarHBondContact O-N 2.8Å; E231-F234 WeakPolarHBondContact O-CB 2.96Å; E231-F234 PolarHBondContact O-N 3.12Å; E231-F234 VanDerWaalsContact O-N 3.14Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 2.69Å; F234-T237 PolarHBondContact O-N 2.64Å; F234-T237 PolarHBondContact O-OG1 3.37Å; F234-F238 AromaticContact CD1-CE2 3.92Å; F234-F238 HydrophobicContact CD1-CE2 3.92Å; F234-F238 HydrophobicContact CD2-CE2 4.06Å; F234-F238 HydrophobicContact CE1-CD2 4.43Å; F234-F238 AromaticContact CE1-CE2 3.48Å; F234-F238 HydrophobicContact CE1-CE2 3.48Å; F234-F238 VanDerWaalsContact CE1-CE2 3.48Å; F234-F238 HydrophobicContact CE1-CZ 4.19Å; F234-F238 AromaticContact CE2-CE2 3.64Å; F234-F238 HydrophobicContact CE2-CE2 3.64Å; F234-F238 AromaticContact CE2-CZ 3.96Å; F234-F238 HydrophobicContact CE2-CZ 3.96Å; F234-F238 HydrophobicContact CG-CE2 4.21Å; F234-F238 AromaticContact CZ-CE2 3.34Å; F234-F238 HydrophobicContact CZ-CE2 3.34Å; F234-F238 AromaticContact CZ-CZ 3.65Å; F234-F238 HydrophobicContact CZ-CZ 3.65Å; F234-F238 VanDerWaalsContact O-CD2 3.3Å; F234-F238 WeakPolarHBondContact O-CD2 3.14Å
235	H	80.7	Confident	80.5	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.065	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-38.9	176.5	-64.3	-47.9	0	0	0	112.3	M198 E231 L233 T237 F238 L239	M198-H235 HydrophobicContact CE-CB 3.64Å; M198-H235 WeakPolarHBondContact CE-O 3.05Å; M198-H235 HydrophobicContact SD-CB 3.82Å; E231-H235 WeakPolarHBondContact CG-NE2 3.33Å; E231-H235 PolarHBondContact O-CD2 3.43Å; E231-H235 PolarHBondContact O-N 2.97Å; E231-H235 IonicContact OE1-NE2 2.76Å; L233-H235 PolarHBondContact O-N 3.27Å; H235-T237 PolarHBondContact O-N 3.27Å; H235-F238 PolarHBondContact O-N 3.48Å; H235-F238 VanDerWaalsContact O-N 3.16Å; H235-L239 PolarHBondContact O-N 3Å
236	L	83.9	Confident	80.7	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-33.5	-179.5	-177.1	66.4	0	0	0	112	M198 F216 F219 I220 N232 L233 F234 F238 L239 V240 V245 L256	M198-L236 HydrophobicContact CE-CB 3.87Å; M198-L236 HydrophobicContact CE-CD1 4.23Å; M198-L236 HydrophobicContact SD-CB 4.24Å; F216-L236 HydrophobicContact CD2-CD2 3.9Å; F216-L236 HydrophobicContact CE2-CD2 3.53Å; F219-L236 HydrophobicContact CE1-CD1 4.45Å; I220-L236 HydrophobicContact CG2-CD2 3.68Å; N232-L236 WeakPolarHBondContact O-CB 2.89Å; N232-L236 PolarHBondContact O-N 3.45Å; L233-L236 WeakPolarHBondContact O-CB 2.84Å; L233-L236 PolarHBondContact O-N 2.82Å; L233-L236 VanDerWaalsContact O-N 3.13Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 2.69Å; L236-F238 VanDerWaalsContact C-N 3.29Å; L236-F238 PolarHBondContact O-N 3.42Å; L236-L239 PolarHBondContact O-N 3.32Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 WeakPolarHBondContact O-CG2 3.46Å; L236-V240 PolarHBondContact O-N 3.19Å; L236-V245 HydrophobicContact CD1-CG1 4.36Å; L236-L256 HydrophobicContact CD1-CD1 4.03Å; L236-L256 HydrophobicContact CD1-CD2 4.38Å; L236-L256 HydrophobicContact CD2-CD1 3.84Å; L236-L256 HydrophobicContact CD2-CD2 4.25Å
237	T	83.5	Confident	80.9	Confident	74 Å²	74	47.7 Å²	47.7	45%	0.454	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-38.7	175.1	70.2	0	0	0	0	112.4	L233 F234 H235 V240 H241	L233-T237 VanDerWaalsContact O-CG2 3.3Å; L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 2.94Å; F234-T237 PolarHBondContact O-N 2.64Å; F234-T237 PolarHBondContact O-OG1 3.37Å; H235-T237 PolarHBondContact O-N 3.27Å; T237-V240 PolarHBondContact O-N 2.86Å; T237-H241 VanDerWaalsContact O-CB 3.24Å; T237-H241 WeakPolarHBondContact O-CB 3.48Å; T237-H241 PolarHBondContact O-N 3.21Å
238	F	80.4	Confident	80.9	Confident	82 Å²	82	45.7 Å²	45.7	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-42.3	175.4	-68.6	-79.4	0	0	0	112.1	F234 H235 L236 V240 H241 D242	F234-F238 AromaticContact CD1-CE2 3.92Å; F234-F238 HydrophobicContact CD1-CE2 3.92Å; F234-F238 HydrophobicContact CD2-CE2 4.06Å; F234-F238 HydrophobicContact CE1-CD2 4.43Å; F234-F238 AromaticContact CE1-CE2 3.48Å; F234-F238 HydrophobicContact CE1-CE2 3.48Å; F234-F238 VanDerWaalsContact CE1-CE2 3.48Å; F234-F238 HydrophobicContact CE1-CZ 4.19Å; F234-F238 AromaticContact CE2-CE2 3.64Å; F234-F238 HydrophobicContact CE2-CE2 3.64Å; F234-F238 AromaticContact CE2-CZ 3.96Å; F234-F238 HydrophobicContact CE2-CZ 3.96Å; F234-F238 HydrophobicContact CG-CE2 4.21Å; F234-F238 AromaticContact CZ-CE2 3.34Å; F234-F238 HydrophobicContact CZ-CE2 3.34Å; F234-F238 AromaticContact CZ-CZ 3.65Å; F234-F238 HydrophobicContact CZ-CZ 3.65Å; F234-F238 VanDerWaalsContact O-CD2 3.3Å; F234-F238 WeakPolarHBondContact O-CD2 3.14Å; H235-F238 PolarHBondContact O-N 3.48Å; H235-F238 VanDerWaalsContact O-N 3.16Å; L236-F238 VanDerWaalsContact C-N 3.29Å; L236-F238 PolarHBondContact O-N 3.42Å; F238-V240 VanDerWaalsContact C-N 3.31Å; F238-V240 PolarHBondContact O-N 3.2Å; F238-H241 PolarHBondContact O-N 3.26Å; F238-D242 VanDerWaalsContact O-CB 3.3Å; F238-D242 WeakPolarHBondContact O-CB 3.38Å; F238-D242 VanDerWaalsContact O-CG 3.28Å; F238-D242 PolarHBondContact O-N 3.43Å
239	L	81.9	Confident	80.5	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-35.9	178.3	-68	-169.7	0	0	0	113	C195 M198 Y199 H235 L236 G243 L244 V245	C195-L239 HydrophobicContact CB-CD2 4.18Å; M198-L239 HydrophobicContact CE-CD1 3.29Å; M198-L239 HydrophobicContact CE-CG 3.71Å; Y199-L239 HydrophobicContact CD2-CD1 4.33Å; H235-L239 PolarHBondContact O-N 3Å; L236-L239 PolarHBondContact O-N 3.32Å; L239-G243 PolarHBondContact O-N 2.93Å; L239-L244 HydrophobicContact CD2-CB 4.36Å; L239-L244 HydrophobicContact CD2-CD1 3.82Å; L239-L244 PolarHBondContact O-N 2.77Å; L239-V245 HydrophobicContact CB-CB 4.26Å; L239-V245 HydrophobicContact CB-CG2 3.74Å; L239-V245 HydrophobicContact CD1-CG2 3.95Å; L239-V245 HydrophobicContact CG-CG2 4.49Å; L239-V245 PolarHBondContact O-N 3.08Å; L239-V245 VanDerWaalsContact O-N 3.16Å
240	V	81.5	Confident	79.9	Confident	59 Å²	59	49.7 Å²	49.7	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-70.9	-45.7	174.9	174.5	0	0	0	0	110.2	L236 T237 F238 D242 G243 V245 V247	L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 WeakPolarHBondContact O-CG2 3.46Å; L236-V240 PolarHBondContact O-N 3.19Å; T237-V240 PolarHBondContact O-N 2.86Å; F238-V240 VanDerWaalsContact C-N 3.31Å; F238-V240 PolarHBondContact O-N 3.2Å; V240-D242 VanDerWaalsContact C-N 3.31Å; V240-D242 PolarHBondContact O-N 2.94Å; V240-G243 PolarHBondContact O-N 3.44Å; V240-G243 VanDerWaalsContact O-N 3.09Å; V240-V245 HydrophobicContact CG2-CB 4.25Å; V240-V245 HydrophobicContact CG2-CG1 4.32Å; V240-V247 HydrophobicContact CG1-CG2 4.27Å; V240-V247 HydrophobicContact CG2-CG2 3.83Å
241	H	75.2	Confident	78.9	Confident	137 Å²	137	56.5 Å²	56.5	63%	0.634	30%	0.299	S	S	*	.	H	α-helix	trans	-59.9	-39.4	176.8	177.9	-86	0	0	0	112.6	T237 F238 G243	T237-H241 VanDerWaalsContact O-CB 3.24Å; T237-H241 WeakPolarHBondContact O-CB 3.48Å; T237-H241 PolarHBondContact O-N 3.21Å; F238-H241 PolarHBondContact O-N 3.26Å; H241-G243 PolarHBondContact O-N 3.37Å
242	D	76.5	Confident	77.9	Confident	75 Å²	75	56.6 Å²	56.6	40%	0.401	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.9	179.6	-71.1	-10.7	0	0	0	113.1	F238 V240 L244 R264	F238-D242 VanDerWaalsContact O-CB 3.3Å; F238-D242 WeakPolarHBondContact O-CB 3.38Å; F238-D242 VanDerWaalsContact O-CG 3.28Å; F238-D242 PolarHBondContact O-N 3.43Å; V240-D242 VanDerWaalsContact C-N 3.31Å; V240-D242 PolarHBondContact O-N 2.94Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 HydrophobicContact CB-CD1 4.25Å; D242-L244 HydrophobicContact CB-CG 4.19Å; D242-R264 PolarHBondContact O-NH2 3.16Å
243	G	76.8	Confident	77.3	Confident	35 Å²	35	57.1 Å²	57.1	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	21.8	-178.5	0	0	0	0	0	113.1	L239 V240 H241 L259	L239-G243 PolarHBondContact O-N 2.93Å; V240-G243 PolarHBondContact O-N 3.44Å; V240-G243 VanDerWaalsContact O-N 3.09Å; H241-G243 PolarHBondContact O-N 3.37Å; G243-L259 WeakPolarHBondContact O-CD1 3.1Å
244	L	79.4	Confident	77	Confident	40 Å²	40	57 Å²	57	21%	0.209	33%	0.326	C	S	.	.	S	Bend	trans	-85.3	-21.3	175.9	-65.6	174.8	0	0	0	111.8	Y199 L239 D242 L259 P261	Y199-L244 HydrophobicContact CD2-CB 4.12Å; Y199-L244 HydrophobicContact CE2-CB 3.97Å; Y199-L244 WeakPolarHBondContact CE2-O 3.49Å; L239-L244 HydrophobicContact CD2-CB 4.36Å; L239-L244 HydrophobicContact CD2-CD1 3.82Å; L239-L244 PolarHBondContact O-N 2.77Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 HydrophobicContact CB-CD1 4.25Å; D242-L244 HydrophobicContact CB-CG 4.19Å; L244-L259 PolarHBondContact O-N 2.94Å; L244-P261 HydrophobicContact CD2-CB 4.14Å; L244-P261 HydrophobicContact CD2-CG 3.97Å
245	V	82.8	Confident	77.1	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.5	-179.9	176.9	0	0	0	0	110.2	Y199 L202 L236 L239 V240 L256	Y199-V245 HydrophobicContact CD2-CG2 4.27Å; L202-V245 HydrophobicContact CD2-CB 4.22Å; L202-V245 HydrophobicContact CD2-CG1 3.77Å; L202-V245 HydrophobicContact CD2-CG2 3.34Å; L236-V245 HydrophobicContact CD1-CG1 4.36Å; L239-V245 HydrophobicContact CB-CB 4.26Å; L239-V245 HydrophobicContact CB-CG2 3.74Å; L239-V245 HydrophobicContact CD1-CG2 3.95Å; L239-V245 HydrophobicContact CG-CG2 4.49Å; L239-V245 PolarHBondContact O-N 3.08Å; L239-V245 VanDerWaalsContact O-N 3.16Å; V240-V245 HydrophobicContact CG2-CB 4.25Å; V240-V245 HydrophobicContact CG2-CG1 4.32Å; V245-L256 HydrophobicContact CG1-CB 4.25Å; V245-L256 HydrophobicContact CG1-CD2 3.91Å
246	S	82.6	Confident	77.3	Confident	38 Å²	38	52 Å²	52	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.8	170.7	-173.8	0	0	0	0	109.8	E257	S246-E257 PolarHBondContact N-O 3.32Å; S246-E257 PolarHBondContact O-N 2.8Å
247	V	82.6	Confident	77.4	Confident	45 Å²	45	54.6 Å²	54.6	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115	173.1	-176.7	0	0	0	0	107.8	V240 I254 L256 F414	V240-V247 HydrophobicContact CG1-CG2 4.27Å; V240-V247 HydrophobicContact CG2-CG2 3.83Å; V247-I254 HydrophobicContact CG1-CG2 3.39Å; V247-L256 HydrophobicContact CG2-CD2 4.02Å; V247-F414 HydrophobicContact CG1-CE1 4.48Å
248	V	78.3	Confident	77.4	Confident	40 Å²	40	52.1 Å²	52.1	24%	0.242	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.5	-177.8	-177.5	0	0	0	0	108.9	S255 E257	V248-S255 PolarHBondContact N-O 2.71Å; V248-S255 WeakPolarHBondContact O-CA 3.3Å; V248-S255 PolarHBondContact O-N 2.83Å; V248-E257 HydrophobicContact CG2-CB 4.47Å
249	V	70.2	Confident	77.4	Confident	39 Å²	39	51.5 Å²	51.5	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.5	176.4	-172.1	0	0	0	0	109.1	F411 F414	V249-F411 HydrophobicContact CB-CE2 4.5Å; V249-F411 HydrophobicContact CG1-CD2 3.55Å; V249-F411 HydrophobicContact CG1-CE2 3.64Å; V249-F414 HydrophobicContact CG2-CB 3.81Å; V249-F414 HydrophobicContact CG2-CD1 4.09Å; V249-F414 HydrophobicContact CG2-CD2 3.99Å; V249-F414 HydrophobicContact CG2-CG 3.7Å
250	N	68.2	Low	76.6	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	168.5	176.9	-61.3	-60.8	0	0	0	110	G252 G253 S255	N250-G252 PolarHBondContact O-N 3.37Å; N250-G253 PolarHBondContact N-O 2.88Å; N250-G253 PolarHBondContact O-N 3.22Å; N250-S255 PolarHBondContact ND2-OG 2.71Å
251	E	61.2	Low	75.2	Confident	212 Å²	212	61.7 Å²	61.7	99%	0.991	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.3	174.4	-64.3	177	171.2	0	0	113.4
252	G	58.7	Low	73.6	Confident	67 Å²	67	66.3 Å²	66.3	69%	0.691	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	7.4	175.7	0	0	0	0	0	115.9	N250	N250-G252 PolarHBondContact O-N 3.37Å
253	G	71	Confident	71.5	Confident	27 Å²	27	68.3 Å²	68.3	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.8	-162	-178.8	0	0	0	0	0	114.2	N250	N250-G253 PolarHBondContact N-O 2.88Å; N250-G253 PolarHBondContact O-N 3.22Å
254	I	80.2	Confident	69.6	Low	29 Å²	29	74.9 Å²	74.9	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.4	-177.6	-53	172.4	0	0	0	109.8	F216 V247	F216-I254 HydrophobicContact CB-CB 3.74Å; F216-I254 HydrophobicContact CB-CG2 3.72Å; F216-I254 WeakPolarHBondContact CB-O 3.1Å; F216-I254 HydrophobicContact CD2-CG2 4.24Å; F216-I254 HydrophobicContact CG-CB 4.21Å; F216-I254 HydrophobicContact CG-CG2 4Å; F216-I254 PolarHBondContact N-O 3.07Å; V247-I254 HydrophobicContact CG1-CG2 3.39Å
255	S	83.5	Confident	67.3	Low	12 Å²	12	81.3 Å²	81.3	8%	0.084	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.3	175	-62	0	0	0	0	111.9	V214 V248 N250	V214-S255 CarbonylContact O-C 3.41Å; V214-S255 WeakPolarHBondContact O-CA 3.39Å; V248-S255 PolarHBondContact N-O 2.71Å; V248-S255 WeakPolarHBondContact O-CA 3.3Å; V248-S255 PolarHBondContact O-N 2.83Å; N250-S255 PolarHBondContact ND2-OG 2.71Å
256	L	85.3	Confident	64.9	Low	0 Å²	0	88.4 Å²	88.4	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.2	-176.5	-61.7	174	0	0	0	110.2	L202 P213 V214 F216 F219 L236 V245 V247	L202-L256 HydrophobicContact CD1-CB 3.81Å; L202-L256 HydrophobicContact CD1-CD1 4.29Å; L202-L256 HydrophobicContact CD2-CB 4.45Å; P213-L256 WeakPolarHBondContact CA-O 3.3Å; V214-L256 PolarHBondContact N-O 2.87Å; V214-L256 PolarHBondContact O-N 3.16Å; F216-L256 HydrophobicContact CB-CG 4.47Å; F216-L256 HydrophobicContact CD2-CD1 4.22Å; F216-L256 HydrophobicContact CD2-CD2 4.08Å; F216-L256 HydrophobicContact CD2-CG 4.27Å; F219-L256 HydrophobicContact CB-CD1 4.06Å; F219-L256 HydrophobicContact CD1-CD1 3.57Å; F219-L256 HydrophobicContact CE1-CD1 4.33Å; F219-L256 HydrophobicContact CG-CD1 3.99Å; L236-L256 HydrophobicContact CD1-CD1 4.03Å; L236-L256 HydrophobicContact CD1-CD2 4.38Å; L236-L256 HydrophobicContact CD2-CD1 3.84Å; L236-L256 HydrophobicContact CD2-CD2 4.25Å; V245-L256 HydrophobicContact CG1-CB 4.25Å; V245-L256 HydrophobicContact CG1-CD2 3.91Å; V247-L256 HydrophobicContact CG2-CD2 4.02Å
257	E	84.9	Confident	62.5	Low	59 Å²	59	89.6 Å²	89.6	28%	0.276	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.4	174.6	177.5	167.8	-145.3	0	0	110.5	Y206 S246 V248 L259	Y206-E257 HydrophobicContact CD2-CG 4.48Å; Y206-E257 HydrophobicContact CE2-CB 4.36Å; Y206-E257 HydrophobicContact CE2-CG 3.76Å; Y206-E257 PolarHBondContact OH-OE1 3.31Å; S246-E257 PolarHBondContact N-O 3.32Å; S246-E257 PolarHBondContact O-N 2.8Å; V248-E257 HydrophobicContact CG2-CB 4.47Å; E257-L259 PolarHBondContact O-N 3.28Å
258	P	84.5	Confident	60.1	Low	22 Å²	22	94.5 Å²	94.5	14%	0.143	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124	176.8	28.8	-32.6	0	0	0	111.2	Y199 L202 Y206	Y199-P258 HydrophobicContact CE2-CB 4.1Å; L202-P258 HydrophobicContact CD2-CB 4.29Å; L202-P258 HydrophobicContact CG-CB 4.48Å; Y206-P258 HydrophobicContact CD1-CG 3.98Å; Y206-P258 HydrophobicContact CD2-CG 4.33Å; Y206-P258 HydrophobicContact CG-CG 3.83Å
259	L	79.5	Confident	57.9	Low	69 Å²	69	99.6 Å²	99.6	36%	0.361	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-87.2	150.1	172.1	-65.2	173.1	0	0	0	110.4	Y199 G243 L244 E257	Y199-L259 PolarHBondContact OH-O 3.17Å; G243-L259 WeakPolarHBondContact O-CD1 3.1Å; L244-L259 PolarHBondContact O-N 2.94Å; E257-L259 PolarHBondContact O-N 3.28Å
260	K	65.7	Low	56.2	Low	187 Å²	187	101.4 Å²	101.4	81%	0.813	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-73.2	139.3	168	-70.8	-177.8	-179.7	178	0	108.6	R262	K260-R262 PolarHBondContact O-N 3.34Å
261	P	52.7	Low	54.6	Low	90 Å²	90	106.3 Å²	106.3	58%	0.584	54%	0.543	S	S	*	.			trans	-55.6	113.7	173.3	-17.4	27.9	0	0	0	108.7	L244	L244-P261 HydrophobicContact CD2-CB 4.14Å; L244-P261 HydrophobicContact CD2-CG 3.97Å
262	R	40.4	Very low	53.3	Low	234 Å²	234	104.6 Å²	104.6	88%	0.883	54%	0.535	S	S	*	.			trans	-76.8	123.5	165.2	-98.4	-179.9	171.3	161.5	-2.3	106.5	K260 R264	K260-R262 PolarHBondContact O-N 3.34Å; R262-R264 PolarHBondContact O-N 2.98Å
263	D	32.6	Very low	51.9	Low	117 Å²	117	108.6 Å²	108.6	63%	0.626	54%	0.54	S	S	*	.			trans	-53.8	103.7	166.5	-76.6	-38.7	0	0	0	108.5	F265 Q266	D263-F265 PolarHBondContact O-N 2.78Å; D263-Q266 PolarHBondContact O-N 2.65Å
264	R	36.5	Very low	50	Low	172 Å²	172	114.8 Å²	114.8	65%	0.649	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-3	175.5	-72.3	-173.7	-175.2	-163.1	1.4	112.8	D242 R262	D242-R264 PolarHBondContact O-NH2 3.16Å; R262-R264 PolarHBondContact O-N 2.98Å
265	F	31.9	Very low	47.5	Very low	175 Å²	175	119.2 Å²	119.2	77%	0.768	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-8.4	179.9	-73.8	-75.6	0	0	0	116.2	D263	D263-F265 PolarHBondContact O-N 2.78Å
266	Q	31.9	Very low	44.8	Very low	153 Å²	153	124.2 Å²	124.2	72%	0.715	63%	0.632	S	S	*	*	S	Bend	trans	-102.6	-6.6	178.8	-69.8	-177	18.6	0	0	114.6	D263	D263-Q266 PolarHBondContact O-N 2.65Å
267	A	33.7	Very low	42	Very low	63 Å²	63	131.6 Å²	131.6	52%	0.521	67%	0.671	S	S	.	*	S	Bend	trans	-90.3	-7.6	-179.7	0	0	0	0	0	114.4
268	E	31.7	Very low	39.3	Very low	149 Å²	149	131.9 Å²	131.9	70%	0.696	69%	0.69	S	S	*	*	S	Bend	trans	-78	-25.4	176	-113.7	176.7	170.5	0	0	112.7
269	N	31.9	Very low	36.8	Very low	146 Å²	146	137.5 Å²	137.5	78%	0.781	72%	0.719	S	S	*	*	S	Bend	trans	-97.6	2.1	-177.8	-64.9	-36	0	0	0	114.4
270	A	34.4	Very low	34.4	Very low	78 Å²	78	140.9 Å²	140.9	65%	0.645	74%	0.743	S	S	*	*	S	Bend	trans	-106.8	2.7	177.9	0	0	0	0	0	113.3	E272	A270-E272 VanDerWaalsContact C-N 3.32Å; A270-E272 PolarHBondContact O-N 3.37Å
271	K	34.4	Very low	32.8	Very low	171 Å²	171	136.8 Å²	136.8	74%	0.743	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-0.2	-179.3	-78.8	-177	176.8	-179.7	0	114.6
272	E	33.2	Very low	32	Very low	177 Å²	177	141 Å²	141	83%	0.827	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-1.2	-177.6	-90.5	-177.3	160.2	0	0	115.3	A270	A270-E272 VanDerWaalsContact C-N 3.32Å; A270-E272 PolarHBondContact O-N 3.37Å
273	N	31.2	Very low	32	Very low	151 Å²	151	133.9 Å²	133.9	81%	0.807	74%	0.744	S	S	*	*	S	Bend	trans	-132.2	17.5	-172.8	-76.7	-45.9	0	0	0	117.2
274	L	30.2	Very low	32.6	Very low	156 Å²	156	133.1 Å²	133.1	82%	0.817	75%	0.754	S	S	*	*	S	Bend	trans	-125.3	138.6	171.8	-110.6	83.8	0	0	0	112.6
275	P	28.1	Very low	33.1	Very low	122 Å²	122	134.1 Å²	134.1	79%	0.792	77%	0.766	S	S	*	*			trans	-69.5	136.3	-168.9	-0.7	15.1	0	0	0	111.5	N277	P275-N277 PolarHBondContact O-N 2.74Å
276	S	26	Very low	33.9	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	76%	0.763	S	S	*	*			trans	-44.5	101.8	173.4	170.3	0	0	0	0	113.8
277	N	26.6	Very low	34.9	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	77%	0.768	S	S	*	*			trans	-127	88.7	150.7	-106.1	-4.7	0	0	0	106.8	P275 D279	P275-N277 PolarHBondContact O-N 2.74Å; N277-D279 PolarHBondContact O-N 3.19Å
278	G	27.5	Very low	36.4	Very low	64 Å²	64	130.3 Å²	130.3	66%	0.66	76%	0.759	S	S	*	*			trans	-75.1	112.9	174.8	0	0	0	0	0	109.2
279	D	32	Very low	38.2	Very low	141 Å²	141	128.3 Å²	128.3	75%	0.754	76%	0.757	S	S	*	*			trans	-177	-2.5	154.8	-93.8	-24.7	0	0	0	115.6	N277	N277-D279 PolarHBondContact O-N 3.19Å
280	T	30.7	Very low	40.2	Very low	140 Å²	140	123.1 Å²	123.1	86%	0.859	73%	0.729	S	S	*	*	S	Bend	trans	-107.2	18	-162.1	50	0	0	0	0	117.8
281	A	31.3	Very low	42.2	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	72%	0.716	S	S	*	*			trans	-128.7	31.2	-179.7	0	0	0	0	0	114.8	A283	A281-A283 PolarHBondContact O-N 2.81Å
282	K	35.6	Very low	44.2	Very low	178 Å²	178	119.5 Å²	119.5	77%	0.774	71%	0.705	S	S	*	*	S	Bend	trans	-76.5	118.1	166.8	-72.9	177.1	179.9	170	0	108.2	A284	K282-A284 PolarHBondContact O-N 3.22Å
283	A	41.1	Very low	46.4	Very low	86 Å²	86	119.4 Å²	119.4	71%	0.711	70%	0.702	S	S	*	*			trans	-50.3	112.9	178	0	0	0	0	0	110.1	A281 Q285	A281-A283 PolarHBondContact O-N 2.81Å; A283-Q285 PolarHBondContact O-N 2.75Å
284	A	45.8	Very low	48.4	Very low	100 Å²	100	116.6 Å²	116.6	83%	0.826	68%	0.684	S	S	*	*			trans	-67.8	98.4	179.2	0	0	0	0	0	108.9	K282 S286	K282-A284 PolarHBondContact O-N 3.22Å; A284-S286 PolarHBondContact O-N 3.41Å
285	Q	46.5	Very low	50.8	Low	194 Å²	194	110 Å²	110	91%	0.907	65%	0.648	S	S	*	*			trans	-73.2	117.8	168.1	-71.5	-178.8	-8.8	0	0	108	A283	A283-Q285 PolarHBondContact O-N 2.75Å
286	S	48.9	Very low	53.1	Low	101 Å²	101	110.4 Å²	110.4	71%	0.706	64%	0.638	S	S	*	*			trans	-112.3	136.5	173.6	59.3	0	0	0	0	109.9	A284	A284-S286 PolarHBondContact O-N 3.41Å
287	V	52	Low	55.3	Low	136 Å²	136	108.8 Å²	108.8	82%	0.824	62%	0.623	S	S	*	*			trans	-97.6	122	174.6	179.4	0	0	0	0	107.8	T289	V287-T289 HydrophobicContact CG1-CG2 4.38Å
288	F	65.7	Low	57.1	Low	74 Å²	74	102 Å²	102	33%	0.325	59%	0.588	S	S	.	*			trans	-102.6	125.3	173.8	-179.1	-91.1	0	0	0	109.8	F216 F217 I220 L233 L290	F216-F288 HydrophobicContact CE1-CD2 4.35Å; F216-F288 AromaticContact CE1-CE2 3.51Å; F216-F288 HydrophobicContact CE1-CE2 3.51Å; F216-F288 AromaticContact CE1-CZ 3.77Å; F216-F288 HydrophobicContact CE1-CZ 3.77Å; F216-F288 HydrophobicContact CZ-CD2 4.22Å; F216-F288 AromaticContact CZ-CE2 3.8Å; F216-F288 HydrophobicContact CZ-CE2 3.8Å; F216-F288 HydrophobicContact CZ-CZ 4.12Å; F217-F288 HydrophobicContact CE1-CE2 4.48Å; F217-F288 HydrophobicContact CE1-CZ 4.24Å; I220-F288 HydrophobicContact CD1-CZ 4.38Å; L233-F288 HydrophobicContact CD1-CD1 3.99Å; L233-F288 HydrophobicContact CD1-CE1 4.14Å; L233-F288 HydrophobicContact CD1-CG 4.28Å; L233-F288 HydrophobicContact CD2-CB 4.49Å; L233-F288 HydrophobicContact CD2-CD1 3.24Å; L233-F288 HydrophobicContact CD2-CE1 3.63Å; L233-F288 HydrophobicContact CD2-CG 4.12Å; L233-F288 HydrophobicContact CG-CD1 4.26Å; F288-L290 HydrophobicContact CD1-CB 4.23Å; F288-L290 HydrophobicContact CE1-CB 3.51Å; F288-L290 HydrophobicContact CE1-CD2 4.29Å; F288-L290 HydrophobicContact CE1-CG 4.41Å; F288-L290 HydrophobicContact CZ-CB 4.23Å
289	T	69.5	Low	58.8	Low	106 Å²	106	103.4 Å²	103.4	65%	0.65	58%	0.576	S	S	*	*			trans	-109.8	125.4	177.3	55.2	0	0	0	0	110.3	V287	V287-T289 HydrophobicContact CG1-CG2 4.38Å
290	L	73.3	Confident	59.8	Low	38 Å²	38	103 Å²	103	20%	0.199	57%	0.573	C	S	.	*			trans	-140	107.9	172.1	178.4	72.1	0	0	0	109.4	F226 T229 F288 E294 W295	F226-L290 HydrophobicContact CE2-CD2 4.37Å; F226-L290 HydrophobicContact CE2-CG 4.46Å; T229-L290 HydrophobicContact CG2-CD2 3.91Å; F288-L290 HydrophobicContact CD1-CB 4.23Å; F288-L290 HydrophobicContact CE1-CB 3.51Å; F288-L290 HydrophobicContact CE1-CD2 4.29Å; F288-L290 HydrophobicContact CE1-CG 4.41Å; F288-L290 HydrophobicContact CZ-CB 4.23Å; L290-E294 HydrophobicContact CD1-CB 3.94Å; L290-W295 HydrophobicContact CD1-CB 4.37Å; L290-W295 HydrophobicContact CD2-CB 4.37Å; L290-W295 HydrophobicContact CG-CB 4.34Å
291	S	77.7	Confident	61.1	Low	52 Å²	52	99.3 Å²	99.3	36%	0.364	55%	0.548	S	S	.	.			trans	-79.3	159	173.4	68.9	0	0	0	0	111.7	K293 E294 W295	S291-K293 PolarHBondContact O-N 3.04Å; S291-E294 VanDerWaalsContact CB-OE2 3.27Å; S291-E294 WeakPolarHBondContact CB-OE2 3.48Å; S291-E294 PolarHBondContact N-OE2 3.01Å; S291-E294 PolarHBondContact O-N 2.83Å; S291-E294 VanDerWaalsContact O-N 3.13Å; S291-E294 WeakPolarHBondContact OG-CB 3.34Å; S291-E294 WeakPolarHBondContact OG-CG 3.38Å; S291-E294 PolarHBondContact OG-N 3.36Å; S291-E294 PolarHBondContact OG-OE2 3.04Å; S291-W295 PolarHBondContact O-N 2.92Å
292	F	76.2	Confident	62.1	Low	121 Å²	121	99.6 Å²	99.6	53%	0.531	54%	0.541	S	S	.	.	H	α-helix	trans	-58.7	-35.5	175.1	-175.6	-101	0	0	0	112.8	F226 W295 K296	F226-F292 HydrophobicContact CB-CD2 4.02Å; F226-F292 HydrophobicContact CB-CE2 4.12Å; F226-F292 HydrophobicContact CD1-CD2 4.26Å; F226-F292 HydrophobicContact CD2-CD2 4.3Å; F226-F292 AromaticContact CG-CD2 3.93Å; F226-F292 HydrophobicContact CG-CD2 3.93Å; F292-W295 HydrophobicContact CD2-CE3 4.02Å; F292-W295 HydrophobicContact CD2-CZ3 4.34Å; F292-W295 AromaticContact CE2-CE3 3.84Å; F292-W295 HydrophobicContact CE2-CE3 3.84Å; F292-W295 AromaticContact CE2-CZ3 3.7Å; F292-W295 HydrophobicContact CE2-CZ3 3.7Å; F292-W295 HydrophobicContact CZ-CE3 4.47Å; F292-W295 HydrophobicContact CZ-CZ3 4.17Å; F292-K296 WeakPolarHBondContact O-CB 3.35Å; F292-K296 PolarHBondContact O-N 2.68Å
293	K	78	Confident	63	Low	174 Å²	174	99.7 Å²	99.7	76%	0.757	54%	0.541	S	S	*	.	H	α-helix	trans	-65.9	-42.6	175.4	-70.3	-176.4	-179.9	178.3	0	111.5	S291 K296 T297	S291-K293 PolarHBondContact O-N 3.04Å; K293-K296 PolarHBondContact O-N 3.21Å; K293-T297 PolarHBondContact O-N 2.63Å; K293-T297 PolarHBondContact O-OG1 2.99Å
294	E	74.8	Confident	63.6	Low	92 Å²	92	97.9 Å²	97.9	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-42.1	176.8	-72	161.8	148.4	0	0	111.5	L290 S291 K296 T297 A298	L290-E294 HydrophobicContact CD1-CB 3.94Å; S291-E294 VanDerWaalsContact CB-OE2 3.27Å; S291-E294 WeakPolarHBondContact CB-OE2 3.48Å; S291-E294 PolarHBondContact N-OE2 3.01Å; S291-E294 PolarHBondContact O-N 2.83Å; S291-E294 VanDerWaalsContact O-N 3.13Å; S291-E294 WeakPolarHBondContact OG-CB 3.34Å; S291-E294 WeakPolarHBondContact OG-CG 3.38Å; S291-E294 PolarHBondContact OG-N 3.36Å; S291-E294 PolarHBondContact OG-OE2 3.04Å; E294-K296 PolarHBondContact O-N 3.33Å; E294-T297 PolarHBondContact O-N 3.14Å; E294-A298 WeakPolarHBondContact O-CB 3.16Å; E294-A298 PolarHBondContact O-N 2.9Å
295	W	78.8	Confident	63.6	Low	17 Å²	17	98.4 Å²	98.4	6%	0.064	50%	0.503	C	S	.	.	H	α-helix	trans	-58.9	-46.1	173.9	173.3	79.4	0	0	0	112.3	H222 F226 T229 L290 S291 F292 T297 A298 K299	H222-W295 WeakPolarHBondContact O-CZ2 3.21Å; H222-W295 PolarHBondContact O-NE1 2.95Å; F226-W295 HydrophobicContact CB-CD2 4.08Å; F226-W295 HydrophobicContact CB-CE3 4.06Å; F226-W295 HydrophobicContact CB-CH2 4.3Å; F226-W295 HydrophobicContact CB-CZ2 4.32Å; F226-W295 HydrophobicContact CB-CZ3 4.17Å; F226-W295 HydrophobicContact CD2-CB 3.79Å; F226-W295 AromaticContact CD2-CD2 3.86Å; F226-W295 HydrophobicContact CD2-CD2 3.86Å; F226-W295 HydrophobicContact CD2-CE3 4.28Å; F226-W295 AromaticContact CD2-CG 3.62Å; F226-W295 HydrophobicContact CD2-CG 3.62Å; F226-W295 HydrophobicContact CE2-CB 4.03Å; F226-W295 HydrophobicContact CE2-CG 4.31Å; F226-W295 HydrophobicContact CG-CD2 4.45Å; T229-W295 PolarHBondContact OG1-NE1 3.48Å; L290-W295 HydrophobicContact CD1-CB 4.37Å; L290-W295 HydrophobicContact CD2-CB 4.37Å; L290-W295 HydrophobicContact CG-CB 4.34Å; S291-W295 PolarHBondContact O-N 2.92Å; F292-W295 HydrophobicContact CD2-CE3 4.02Å; F292-W295 HydrophobicContact CD2-CZ3 4.34Å; F292-W295 AromaticContact CE2-CE3 3.84Å; F292-W295 HydrophobicContact CE2-CE3 3.84Å; F292-W295 AromaticContact CE2-CZ3 3.7Å; F292-W295 HydrophobicContact CE2-CZ3 3.7Å; F292-W295 HydrophobicContact CZ-CE3 4.47Å; F292-W295 HydrophobicContact CZ-CZ3 4.17Å; W295-T297 VanDerWaalsContact C-N 3.25Å; W295-T297 PolarHBondContact O-N 2.88Å; W295-A298 PolarHBondContact O-N 2.85Å; W295-K299 PolarHBondContact O-N 3.44Å
296	K	77.2	Confident	63.3	Low	132 Å²	132	92.2 Å²	92.2	57%	0.574	49%	0.485	S	S	*	.	H	α-helix	trans	-62.9	-33.2	177	-167.6	174.8	-177.2	178.6	0	112.2	F292 K293 E294	F292-K296 WeakPolarHBondContact O-CB 3.35Å; F292-K296 PolarHBondContact O-N 2.68Å; K293-K296 PolarHBondContact O-N 3.21Å; E294-K296 PolarHBondContact O-N 3.33Å
297	T	71.2	Confident	62.6	Low	83 Å²	83	91.6 Å²	91.6	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-76.2	-41.5	176.5	-52.9	0	0	0	0	111.6	K293 E294 W295 K299 L300	K293-T297 PolarHBondContact O-N 2.63Å; K293-T297 PolarHBondContact O-OG1 2.99Å; E294-T297 PolarHBondContact O-N 3.14Å; W295-T297 VanDerWaalsContact C-N 3.25Å; W295-T297 PolarHBondContact O-N 2.88Å; T297-K299 PolarHBondContact O-N 3.17Å; T297-L300 WeakPolarHBondContact O-CB 3.31Å; T297-L300 PolarHBondContact O-N 3.27Å
298	A	64.7	Low	61.4	Low	12 Å²	12	94.3 Å²	94.3	10%	0.099	47%	0.473	C	S	.	.	H	α-helix	trans	-61.5	-34.1	177.4	0	0	0	0	0	112	L221 E294 W295 L300 I301 F304	L221-A298 HydrophobicContact CD1-CB 3.86Å; L221-A298 HydrophobicContact CD2-CB 4.48Å; E294-A298 WeakPolarHBondContact O-CB 3.16Å; E294-A298 PolarHBondContact O-N 2.9Å; W295-A298 PolarHBondContact O-N 2.85Å; A298-L300 PolarHBondContact O-N 2.92Å; A298-I301 PolarHBondContact O-N 3.44Å; A298-F304 HydrophobicContact CB-CD2 4.49Å
299	K	63.4	Low	59.4	Low	95 Å²	95	94.1 Å²	94.1	41%	0.413	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.3	171.6	177	-179.7	174.5	168.6	0	113.6	P223 W295 T297 I301 H305	P223-K299 VanDerWaalsContact O-CD 3.27Å; P223-K299 WeakPolarHBondContact O-CD 3.27Å; P223-K299 WeakPolarHBondContact O-CE 3.35Å; P223-K299 PolarHBondContact O-NZ 3.37Å; W295-K299 PolarHBondContact O-N 3.44Å; T297-K299 PolarHBondContact O-N 3.17Å; K299-I301 VanDerWaalsContact C-N 3.29Å; K299-I301 PolarHBondContact O-N 3.06Å; K299-H305 PolarHBondContact O-NE2 3.44Å; K299-H305 VanDerWaalsContact O-NE2 3.17Å
300	L	53.1	Low	57.4	Low	131 Å²	131	94.5 Å²	94.5	69%	0.686	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6	-175.7	-66.2	168.8	0	0	0	113.2	T297 A298 P302	T297-L300 WeakPolarHBondContact O-CB 3.31Å; T297-L300 PolarHBondContact O-N 3.27Å; A298-L300 PolarHBondContact O-N 2.92Å; L300-P302 WeakPolarHBondContact O-CD 3.13Å
301	I	57.7	Low	55.1	Low	63 Å²	63	100.1 Å²	100.1	32%	0.323	51%	0.514	S	S	.	.			trans	-91.1	113.3	-175.7	-62.8	171	0	0	0	108.6	A298 K299 K303 F304 H305	A298-I301 PolarHBondContact O-N 3.44Å; K299-I301 VanDerWaalsContact C-N 3.29Å; K299-I301 PolarHBondContact O-N 3.06Å; I301-K303 HydrophobicContact CG2-CB 4.01Å; I301-K303 PolarHBondContact O-N 3.35Å; I301-F304 HydrophobicContact CB-CD2 3.6Å; I301-F304 HydrophobicContact CB-CE2 4.08Å; I301-F304 HydrophobicContact CB-CG 4.4Å; I301-F304 HydrophobicContact CD1-CD2 3.89Å; I301-F304 HydrophobicContact CD1-CE2 3.62Å; I301-F304 HydrophobicContact CG1-CD2 4.3Å; I301-F304 HydrophobicContact CG1-CE2 4.45Å; I301-F304 HydrophobicContact CG2-CD2 3.68Å; I301-F304 HydrophobicContact CG2-CE2 3.87Å; I301-F304 HydrophobicContact CG2-CG 4.29Å; I301-F304 PolarHBondContact O-N 3.04Å; I301-H305 PolarHBondContact O-CD2 3.49Å
302	P	53.6	Low	52.7	Low	106 Å²	106	104.7 Å²	104.7	69%	0.688	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-56	-28.1	-176.5	-26.9	35.5	0	0	0	114	L300 F304 H305	L300-P302 WeakPolarHBondContact O-CD 3.13Å; P302-F304 PolarHBondContact O-N 3.13Å; P302-H305 PolarHBondContact O-N 3.06Å
303	K	53.1	Low	50.4	Low	180 Å²	180	104.2 Å²	104.2	78%	0.783	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.8	176.1	-65.4	-176.5	176.1	-178.1	0	113.9	I301	I301-K303 HydrophobicContact CG2-CB 4.01Å; I301-K303 PolarHBondContact O-N 3.35Å
304	F	54.1	Low	48.2	Very low	48 Å²	48	103.4 Å²	103.4	21%	0.211	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-104.2	1	179.3	-58.4	-40.7	0	0	0	113.3	F217 L221 A298 I301 P302 A306	F217-F304 HydrophobicContact CB-CD1 3.56Å; F217-F304 HydrophobicContact CB-CD2 4.5Å; F217-F304 HydrophobicContact CB-CE1 3.7Å; F217-F304 HydrophobicContact CB-CG 4.01Å; F217-F304 HydrophobicContact CB-CZ 4.26Å; F217-F304 AromaticContact CD2-CE1 3.83Å; F217-F304 HydrophobicContact CD2-CE1 3.83Å; F217-F304 AromaticContact CD2-CZ 3.9Å; F217-F304 HydrophobicContact CD2-CZ 3.9Å; F217-F304 HydrophobicContact CG-CD1 4.39Å; F217-F304 HydrophobicContact CG-CE1 4.09Å; F217-F304 HydrophobicContact CG-CZ 4.24Å; L221-F304 HydrophobicContact CD1-CB 4.16Å; A298-F304 HydrophobicContact CB-CD2 4.49Å; I301-F304 HydrophobicContact CB-CD2 3.6Å; I301-F304 HydrophobicContact CB-CE2 4.08Å; I301-F304 HydrophobicContact CB-CG 4.4Å; I301-F304 HydrophobicContact CD1-CD2 3.89Å; I301-F304 HydrophobicContact CD1-CE2 3.62Å; I301-F304 HydrophobicContact CG1-CD2 4.3Å; I301-F304 HydrophobicContact CG1-CE2 4.45Å; I301-F304 HydrophobicContact CG2-CD2 3.68Å; I301-F304 HydrophobicContact CG2-CE2 3.87Å; I301-F304 HydrophobicContact CG2-CG 4.29Å; I301-F304 PolarHBondContact O-N 3.04Å; P302-F304 PolarHBondContact O-N 3.13Å; F304-A306 PolarHBondContact O-N 2.93Å
305	H	45.5	Very low	46.1	Very low	111 Å²	111	102.7 Å²	102.7	51%	0.514	53%	0.534	S	S	.	.			trans	-64.1	135.2	171.2	-79.4	-123.6	0	0	0	110	R218 K299 I301 P302	R218-H305 PolarHBondContact NE-O 3.44Å; R218-H305 VanDerWaalsContact NE-O 3.08Å; K299-H305 PolarHBondContact O-NE2 3.44Å; K299-H305 VanDerWaalsContact O-NE2 3.17Å; I301-H305 PolarHBondContact O-CD2 3.49Å; P302-H305 PolarHBondContact O-N 3.06Å
306	A	40.2	Very low	44	Very low	64 Å²	64	106.8 Å²	106.8	53%	0.529	56%	0.561	S	S	.	*			trans	-56.2	169.7	-173.1	0	0	0	0	0	113.7	R218 F304 Q308	R218-A306 PolarHBondContact NH2-O 2.95Å; F304-A306 PolarHBondContact O-N 2.93Å; A306-Q308 PolarHBondContact O-N 3.49Å
307	F	34.5	Very low	41.8	Very low	88 Å²	88	105.8 Å²	105.8	39%	0.386	56%	0.562	S	S	.	*			trans	-61.8	72.2	168.5	-140.3	-90.9	0	0	0	110.7	N208 S309	N208-F307 HydrophobicContact CB-CE1 3.95Å; N208-F307 HydrophobicContact CB-CZ 3.61Å; F307-S309 VanDerWaalsContact C-N 3.26Å; F307-S309 PolarHBondContact O-N 2.82Å
308	Q	26.3	Very low	39.8	Very low	193 Å²	193	107.7 Å²	107.7	90%	0.902	57%	0.565	S	S	*	*			trans	-78.7	85.1	157.3	-75.7	-176.5	-6.9	0	0	106.9	A306	A306-Q308 PolarHBondContact O-N 3.49Å
309	S	25.5	Very low	38.5	Very low	70 Å²	70	111.1 Å²	111.1	49%	0.49	58%	0.576	S	S	.	*			trans	-136	115.4	166.3	178.4	0	0	0	0	108.1	F307	F307-S309 VanDerWaalsContact C-N 3.26Å; F307-S309 PolarHBondContact O-N 2.82Å
310	T	25.9	Very low	37	Very low	115 Å²	115	108.5 Å²	108.5	71%	0.706	57%	0.568	S	S	*	*	S	Bend	trans	72.7	104	154.7	59	0	0	0	0	118.1
311	N	26.4	Very low	35.8	Very low	156 Å²	156	105.1 Å²	105.1	83%	0.834	56%	0.555	S	S	*	*	S	Bend	trans	47.2	78	143.1	-55.3	-10.7	0	0	0	117.2
312	E	26.3	Very low	34.4	Very low	147 Å²	147	108.5 Å²	108.5	69%	0.687	57%	0.567	S	S	*	*			trans	177.8	112.2	143.7	-101.1	161.8	-158.7	0	0	108.8	E314	E312-E314 PolarHBondContact O-N 2.84Å
313	P	28.7	Very low	33.5	Very low	112 Å²	112	109.6 Å²	109.6	73%	0.727	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-5.1	-177.4	-13.8	28.8	0	0	0	115
314	E	32.3	Very low	32.4	Very low	157 Å²	157	103.8 Å²	103.8	73%	0.734	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-18.4	-163.1	-70.4	-178.4	159.9	0	0	115.2	E312	E312-E314 PolarHBondContact O-N 2.84Å
315	E	30.4	Very low	31.2	Very low	76 Å²	76	109.3 Å²	109.3	36%	0.355	56%	0.562	S	S	.	*	S	Bend	trans	-86.6	-20.4	-175.3	-77.3	-164.8	159.7	0	0	114.4	K204 Q318	K204-E315 IonicContact NZ-OE2 2.63Å; K204-E315 PolarHBondContact NZ-OE2 2.75Å; K204-E315 VanDerWaalsContact NZ-OE2 3.07Å; E315-Q318 PolarHBondContact O-N 2.71Å
316	T	33.9	Very low	30.4	Very low	104 Å²	104	109.6 Å²	109.6	64%	0.638	57%	0.571	S	S	*	*	S	Bend	trans	-77.3	-22.6	177.3	37.2	0	0	0	0	113.3	Q318	T316-Q318 VanDerWaalsContact C-N 3.32Å
317	D	31	Very low	29.9	Very low	111 Å²	111	113.8 Å²	113.8	59%	0.594	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-18.7	173.1	-77.3	-19.2	0	0	0	112.4	W319 V320 S321	D317-W319 VanDerWaalsContact C-N 3.31Å; D317-W319 PolarHBondContact O-N 2.79Å; D317-V320 PolarHBondContact O-N 3.42Å; D317-V320 VanDerWaalsContact O-N 3.09Å; D317-S321 PolarHBondContact O-N 3.32Å; D317-S321 PolarHBondContact O-OG 2.75Å
318	Q	30.4	Very low	29.7	Very low	123 Å²	123	117.4 Å²	117.4	58%	0.575	60%	0.598	S	S	*	*	H	α-helix	trans	-70.3	-24.4	173.4	-69.7	-178.1	1.1	0	0	113.4	E315 T316 V320	E315-Q318 PolarHBondContact O-N 2.71Å; T316-Q318 VanDerWaalsContact C-N 3.32Å; Q318-V320 PolarHBondContact O-N 2.91Å
319	W	36.1	Very low	29.8	Very low	84 Å²	84	117.5 Å²	117.5	32%	0.318	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-17.7	170.7	-91.8	73.5	0	0	0	112.6	H197 Y201 N232 D317	H197-W319 AromaticContact CE1-CE2 3.92Å; H197-W319 AromaticContact CE1-NE1 3.63Å; Y201-W319 HydrophobicContact CD1-CZ2 4.32Å; Y201-W319 AromaticContact CD2-CZ2 3.84Å; Y201-W319 HydrophobicContact CD2-CZ2 3.84Å; Y201-W319 AromaticContact CD2-NE1 3.73Å; Y201-W319 AromaticContact CE1-NE1 3.57Å; Y201-W319 HydrophobicContact CE2-CZ2 4.23Å; Y201-W319 AromaticContact CE2-NE1 3.19Å; Y201-W319 AromaticContact CG-CZ2 3.9Å; Y201-W319 HydrophobicContact CG-CZ2 3.9Å; Y201-W319 AromaticContact CZ-CD1 3.87Å; Y201-W319 AromaticContact CZ-NE1 3.08Å; Y201-W319 PolarHBondContact OH-NE1 2.89Å; N232-W319 WeakPolarHBondContact OD1-CZ3 3.4Å; D317-W319 VanDerWaalsContact C-N 3.31Å; D317-W319 PolarHBondContact O-N 2.79Å
320	V	32.6	Very low	29.9	Very low	40 Å²	40	123.3 Å²	123.3	24%	0.242	61%	0.612	C	S	.	*	H	α-helix	trans	-111	-25.7	-169.7	178.8	0	0	0	0	112	D317 Q318 N324	D317-V320 PolarHBondContact O-N 3.42Å; D317-V320 VanDerWaalsContact O-N 3.09Å; Q318-V320 PolarHBondContact O-N 2.91Å; V320-N324 WeakPolarHBondContact CG1-ND2 3.4Å; V320-N324 VanDerWaalsContact O-CG 3.31Å; V320-N324 PolarHBondContact O-ND2 3.25Å
321	S	28.2	Very low	30.1	Very low	59 Å²	59	126.8 Å²	126.8	41%	0.413	62%	0.621	S	S	.	*	H	α-helix	trans	-78.3	-27.8	-173.1	59.1	0	0	0	0	115.6	D317 W323 N324	D317-S321 PolarHBondContact O-N 3.32Å; D317-S321 PolarHBondContact O-OG 2.75Å; S321-W323 PolarHBondContact O-N 2.92Å; S321-N324 PolarHBondContact O-N 3.37Å
322	F	28.5	Very low	30.1	Very low	134 Å²	134	126.3 Å²	126.3	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-67.4	-22.4	-176.6	-168.3	-101.7	0	0	0	113.9
323	W	33.2	Very low	30.2	Very low	129 Å²	129	127.6 Å²	127.6	49%	0.489	63%	0.63	S	S	.	*	H	α-helix	trans	-106.9	-11.5	-177.2	-68.7	105.2	0	0	0	114	V190 S321	V190-W323 HydrophobicContact CG1-CH2 4Å; V190-W323 HydrophobicContact CG1-CZ2 3.88Å; S321-W323 PolarHBondContact O-N 2.92Å
324	N	30	Very low	30.1	Very low	58 Å²	58	126.2 Å²	126.2	31%	0.31	64%	0.636	S	S	.	*	H	α-helix	trans	-86.9	-17.1	179.7	-72.3	-10.2	0	0	0	113.2	V320 S321 T326 E327	V320-N324 WeakPolarHBondContact CG1-ND2 3.4Å; V320-N324 VanDerWaalsContact O-CG 3.31Å; V320-N324 PolarHBondContact O-ND2 3.25Å; S321-N324 PolarHBondContact O-N 3.37Å; N324-T326 PolarHBondContact O-N 2.85Å; N324-T326 VanDerWaalsContact O-N 3.16Å; N324-E327 PolarHBondContact O-N 3.38Å
325	E	29.3	Very low	29.9	Very low	165 Å²	165	127.9 Å²	127.9	77%	0.771	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-10.8	-178.9	-74.3	-176.3	171.9	0	0	114.1
326	T	28.4	Very low	29.9	Very low	116 Å²	116	132 Å²	132	71%	0.712	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-12.3	177.8	20.4	0	0	0	0	114.3	N324	N324-T326 PolarHBondContact O-N 2.85Å; N324-T326 VanDerWaalsContact O-N 3.16Å
327	E	29.6	Very low	29.7	Very low	152 Å²	152	131.2 Å²	131.2	71%	0.71	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-11.7	-177.3	-72.4	-171.6	152.8	0	0	114.3	N324 K329	N324-E327 PolarHBondContact O-N 3.38Å; E327-K329 PolarHBondContact O-N 3.4Å
328	E	30.3	Very low	29.5	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	9.9	-179.4	-81.6	-169.4	160.1	0	0	116
329	K	29.6	Very low	29.3	Very low	195 Å²	195	132.8 Å²	132.8	85%	0.848	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	1.5	179.6	-75.7	-174.1	179.2	174.5	0	115.7	E327	E327-K329 PolarHBondContact O-N 3.4Å
330	F	27.4	Very low	28.7	Very low	193 Å²	193	139 Å²	139	85%	0.846	73%	0.728	S	S	*	*	S	Bend	trans	-121.9	-3.6	-173	-89.6	-81.9	0	0	0	117.8
331	E	29	Very low	28.5	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	76%	0.755	S	S	*	*			trans	-132	58.9	-179	-71	-173.7	160.5	0	0	113
332	N	27.3	Very low	28.5	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	78%	0.777	S	S	*	*			trans	-105.7	88.4	157.4	-89.4	-37.3	0	0	0	108
333	N	27.2	Very low	28.5	Very low	173 Å²	173	148.5 Å²	148.5	93%	0.925	79%	0.791	S	S	*	*			trans	175	108.8	149.4	-88.5	-22.8	0	0	0	110.3
334	G	28.4	Very low	28.3	Very low	83 Å²	83	146.5 Å²	146.5	86%	0.856	80%	0.802	S	S	*	*			trans	150.4	48.4	169.6	0	0	0	0	0	115.7
335	K	28.4	Very low	28.2	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	83%	0.828	S	S	*	*			trans	-84.4	132.6	163.4	-73.9	-177.9	174.8	174.7	0	109.2
336	D	28.9	Very low	28.1	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	82%	0.824	S	S	*	*				155.7	128.9	121.8	-77.2	-26.2	0	0	0	111.8
337	G	31.1	Very low	28.2	Very low	86 Å²	86	142.8 Å²	142.8	89%	0.887	82%	0.819	S	S	*	*			trans	147.2	49.8	167.6	0	0	0	0	0	116.9
338	Q	25.9	Very low	28.3	Very low	202 Å²	202	141.1 Å²	141.1	94%	0.944	82%	0.82	S	S	*	*			trans	-86.6	137.7	174.6	-143.4	178.5	15.2	0	0	111
339	G	25.3	Very low	28.3	Very low	65 Å²	65	137.7 Å²	137.7	67%	0.67	82%	0.819	S	S	*	*			trans	114.4	104.1	146.6	0	0	0	0	0	117.7
340	K	25.3	Very low	28.5	Very low	215 Å²	215	136.7 Å²	136.7	94%	0.935	82%	0.818	S	S	*	*			trans	149	92.9	139.4	-83.8	171.8	-179.1	-178.9	0	111.6
341	A	28.3	Very low	28.8	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	82%	0.818	S	S	*	*			trans	-168.6	64.5	160.5	0	0	0	0	0	111.6
342	V	26.7	Very low	28.8	Very low	146 Å²	146	136.4 Å²	136.4	89%	0.885	82%	0.819	S	S	*	*	S	Bend	trans	-128.4	10.4	175.9	178.3	0	0	0	0	112.8
343	Q	29	Very low	29.1	Very low	188 Å²	188	137 Å²	137	88%	0.879	82%	0.822	S	S	*	*	S	Bend	trans	-131.2	9.8	-173.7	-75.2	179.8	-13.5	0	0	116.4
344	A	28.4	Very low	29.4	Very low	87 Å²	87	137.4 Å²	137.4	72%	0.719	82%	0.819	S	S	*	*	S	Bend	trans	-102.8	-10.4	-175.7	0	0	0	0	0	115.6
345	A	27.7	Very low	29.6	Very low	103 Å²	103	141.8 Å²	141.8	85%	0.851	82%	0.821	S	S	*	*	S	Bend	trans	-94.9	-2.5	-174	0	0	0	0	0	114.8
346	A	28.9	Very low	29.6	Very low	83 Å²	83	140.2 Å²	140.2	69%	0.686	82%	0.821	S	S	*	*	S	Bend	trans	-104.9	-6.4	-175.2	0	0	0	0	0	114.5
347	A	30	Very low	29.6	Very low	75 Å²	75	141.5 Å²	141.5	62%	0.62	82%	0.819	S	S	*	*	S	Bend	trans	-96.9	-16	-173.6	0	0	0	0	0	114.6
348	T	31.1	Very low	29.6	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-9.6	-175.5	-40.9	0	0	0	0	113.3
349	A	31	Very low	29.8	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	5	-174.6	0	0	0	0	0	115.1
350	Q	34.1	Very low	29.9	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	83%	0.825	S	S	*	*	S	Bend	trans	-113.7	2.6	-173	-74.8	-173.8	-34.3	0	0	115.3
351	Q	32.1	Very low	30.1	Very low	182 Å²	182	138.5 Å²	138.5	85%	0.85	82%	0.816	S	S	*	*	S	Bend	trans	-107.6	-4.4	-171.3	-139.7	168.8	8.7	0	0	115.4
352	E	30.5	Very low	30.1	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	82%	0.819	S	S	*	*	S	Bend	trans	-95.9	9.8	-175.2	-77.9	-174.1	145.1	0	0	115.5
353	N	33.4	Very low	30.1	Very low	158 Å²	158	142 Å²	142	85%	0.845	82%	0.819	S	S	*	*	S	Bend	trans	-107.5	20.8	-168.1	-118.8	-10.5	0	0	0	116.3
354	Q	33.1	Very low	30	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	82%	0.819	S	S	*	*			trans	-146.8	50.4	-176.7	-75.3	-171	9.9	0	0	115.2
355	I	31.9	Very low	30.1	Very low	175 Å²	175	141.6 Å²	141.6	90%	0.897	81%	0.809	S	S	*	*			trans	-143.9	74.9	163.5	-48.6	176.2	0	0	0	109.1
356	D	28.8	Very low	30	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	81%	0.814	S	S	*	*			trans	-135.4	100.7	172.6	-147.3	12.8	0	0	0	107.6
357	K	30	Very low	30.1	Very low	191 Å²	191	144.6 Å²	144.6	83%	0.83	80%	0.803	S	S	*	*			trans	161.2	135.7	159.7	-89.7	158.5	-168.5	-174.5	0	109.6
358	T	29.6	Very low	29.9	Very low	143 Å²	143	148.9 Å²	148.9	88%	0.877	81%	0.81	S	S	*	*			trans	89.2	95.9	172.3	74.2	0	0	0	0	116
359	A	30.8	Very low	29.9	Very low	104 Å²	104	152 Å²	152	86%	0.86	82%	0.817	S	S	*	*			trans	170.9	76.9	130.2	0	0	0	0	0	108.9
360	D	26.9	Very low	30.1	Very low	167 Å²	167	154.6 Å²	154.6	89%	0.893	81%	0.813	S	S	*	*			trans	-73.5	152.4	155.8	-70.2	-53.1	0	0	0	109.1
361	A	30	Very low	30	Very low	90 Å²	90	151.2 Å²	151.2	74%	0.744	80%	0.796	S	S	*	*			trans	105.5	116.5	162.6	0	0	0	0	0	117.7
362	E	27.7	Very low	30.2	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	78%	0.78	S	S	*	*			trans	84.7	94.2	145.6	-65.7	173.8	-176.2	0	0	120.1
363	C	27.1	Very low	30.8	Very low	131 Å²	131	138.9 Å²	138.9	89%	0.885	75%	0.752	S	S	*	*				-175.3	128.4	114.3	-108.9	0	0	0	0	113.2
364	H	26.5	Very low	31.5	Very low	191 Å²	191	132.9 Å²	132.9	88%	0.884	72%	0.721	S	S	*	*			trans	-59.9	149	176	-78.3	-89.5	0	0	0	113.7
365	P	32	Very low	32.4	Very low	77 Å²	77	129.4 Å²	129.4	50%	0.5	70%	0.704	S	S	.	*			trans	-127.2	139.6	154.7	37.6	-25.3	0	0	0	112.9	G367	P365-G367 PolarHBondContact O-N 2.98Å
366	E	24.9	Very low	33.5	Very low	205 Å²	205	125.6 Å²	125.6	96%	0.958	68%	0.683	S	S	*	*	S	Bend	trans	-52.8	124.2	161	-63.2	176.1	153.5	0	0	109.6
367	G	30.3	Very low	34.5	Very low	44 Å²	44	120.1 Å²	120.1	45%	0.454	66%	0.655	S	S	.	*			trans	157	32.4	-177.6	0	0	0	0	0	113.8	P365 Q369	P365-G367 PolarHBondContact O-N 2.98Å; G367-Q369 VanDerWaalsContact C-N 3.25Å; G367-Q369 PolarHBondContact O-N 3.44Å; G367-Q369 VanDerWaalsContact O-N 3.12Å
368	E	27.2	Very low	35.7	Very low	165 Å²	165	111.5 Å²	111.5	77%	0.771	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-4.1	-163.7	-71	-176.1	150.8	0	0	115.7	V372	E368-V372 VanDerWaalsContact O-CG2 3.23Å; E368-V372 WeakPolarHBondContact O-CG2 3.4Å
369	Q	30.3	Very low	37	Very low	184 Å²	184	112.4 Å²	112.4	86%	0.86	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-29.2	-178.5	-71.8	-171.9	-19.5	0	0	114.8	G367	G367-Q369 VanDerWaalsContact C-N 3.25Å; G367-Q369 PolarHBondContact O-N 3.44Å; G367-Q369 VanDerWaalsContact O-N 3.12Å
370	E	34.5	Very low	38.5	Very low	145 Å²	145	112.6 Å²	112.6	68%	0.678	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-28.1	-178	-82.4	-174.3	147.3	0	0	113.8	V372 G373	E370-V372 VanDerWaalsContact C-N 3.26Å; E370-V372 PolarHBondContact O-N 3.34Å; E370-G373 PolarHBondContact O-N 3.25Å
371	K	32.5	Very low	39.9	Very low	104 Å²	104	105.8 Å²	105.8	45%	0.452	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-31.4	176.2	-70.9	-176.8	176.3	-178.5	0	112.8	G373 V374 E375	K371-G373 VanDerWaalsContact C-N 3.32Å; K371-G373 PolarHBondContact O-N 2.87Å; K371-V374 PolarHBondContact O-N 2.68Å; K371-E375 PolarHBondContact O-N 3.25Å
372	V	35.8	Very low	41	Very low	85 Å²	85	107.2 Å²	107.2	52%	0.515	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-37.8	-180	178.8	0	0	0	0	111.3	E368 E370 E376	E368-V372 VanDerWaalsContact O-CG2 3.23Å; E368-V372 WeakPolarHBondContact O-CG2 3.4Å; E370-V372 VanDerWaalsContact C-N 3.26Å; E370-V372 PolarHBondContact O-N 3.34Å; V372-E376 VanDerWaalsContact O-CB 3.29Å; V372-E376 WeakPolarHBondContact O-CB 3.35Å; V372-E376 PolarHBondContact O-N 3.04Å
373	G	43.2	Very low	42.4	Very low	30 Å²	30	103.1 Å²	103.1	31%	0.309	53%	0.53	S	S	.	.	H	α-helix	trans	-69	-38.7	-178.2	0	0	0	0	0	113.9	E370 K371 E376 T377	E370-G373 PolarHBondContact O-N 3.25Å; K371-G373 VanDerWaalsContact C-N 3.32Å; K371-G373 PolarHBondContact O-N 2.87Å; G373-E376 PolarHBondContact O-N 2.99Å; G373-T377 WeakPolarHBondContact O-CG2 3.4Å; G373-T377 PolarHBondContact O-N 2.9Å; G373-T377 PolarHBondContact O-OG1 3.22Å
374	V	49.6	Very low	43.5	Very low	32 Å²	32	100.8 Å²	100.8	19%	0.194	50%	0.503	C	S	.	.	H	α-helix	trans	-71.9	-40.8	179.3	-179.1	0	0	0	0	110.9	K371 E376 T377 A378	K371-V374 PolarHBondContact O-N 2.68Å; V374-E376 VanDerWaalsContact C-N 3.34Å; V374-T377 WeakPolarHBondContact CA-OG1 3.48Å; V374-T377 PolarHBondContact O-N 3.36Å; V374-T377 PolarHBondContact O-OG1 3.36Å; V374-A378 WeakPolarHBondContact O-CB 3.29Å; V374-A378 PolarHBondContact O-N 3.3Å
375	E	50.9	Low	44.4	Very low	109 Å²	109	96.5 Å²	96.5	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-64.6	-38.6	173.6	-73.9	-172.7	-177.9	0	0	112.1	K371 A378 R379	K371-E375 PolarHBondContact O-N 3.25Å; E375-A378 PolarHBondContact O-N 2.84Å; E375-R379 WeakPolarHBondContact O-CB 3.14Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.1Å; E375-R379 IonicContact OE2-NH2 3.5Å
376	E	54.4	Low	44.8	Very low	96 Å²	96	100.4 Å²	100.4	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-42.8	176.4	-164	-171.6	151	0	0	112	V372 G373 V374 R379 K380	V372-E376 VanDerWaalsContact O-CB 3.29Å; V372-E376 WeakPolarHBondContact O-CB 3.35Å; V372-E376 PolarHBondContact O-N 3.04Å; G373-E376 PolarHBondContact O-N 2.99Å; V374-E376 VanDerWaalsContact C-N 3.34Å; E376-R379 PolarHBondContact O-N 3.29Å; E376-K380 WeakPolarHBondContact O-CG 3.43Å; E376-K380 PolarHBondContact O-N 2.97Å; E376-K380 VanDerWaalsContact OE1-CE 3.29Å; E376-K380 WeakPolarHBondContact OE1-CE 3.44Å; E376-K380 IonicContact OE1-NZ 3.91Å; E376-K380 PolarHBondContact OE1-NZ 2.8Å
377	T	51.4	Low	45.6	Very low	43 Å²	43	93.6 Å²	93.6	26%	0.264	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-40.3	173.1	52.5	0	0	0	0	112.2	G373 V374 K380 I381	G373-T377 WeakPolarHBondContact O-CG2 3.4Å; G373-T377 PolarHBondContact O-N 2.9Å; G373-T377 PolarHBondContact O-OG1 3.22Å; V374-T377 WeakPolarHBondContact CA-OG1 3.48Å; V374-T377 PolarHBondContact O-N 3.36Å; V374-T377 PolarHBondContact O-OG1 3.36Å; T377-K380 PolarHBondContact O-N 3.38Å; T377-I381 VanDerWaalsContact O-CG1 3.31Å; T377-I381 WeakPolarHBondContact O-CG1 3.4Å; T377-I381 PolarHBondContact O-N 3.42Å; T377-I381 VanDerWaalsContact O-N 3.08Å
378	A	54.3	Low	46.1	Very low	10 Å²	10	96 Å²	96	8%	0.083	48%	0.476	C	S	.	.	H	α-helix	trans	-64.5	-41.6	175.7	0	0	0	0	0	112.4	V374 E375 K380 I381 E382	V374-A378 WeakPolarHBondContact O-CB 3.29Å; V374-A378 PolarHBondContact O-N 3.3Å; E375-A378 PolarHBondContact O-N 2.84Å; A378-K380 PolarHBondContact O-N 3.38Å; A378-I381 PolarHBondContact O-N 3.46Å; A378-E382 PolarHBondContact O-N 2.85Å
379	R	57.6	Low	46.5	Very low	163 Å²	163	94.5 Å²	94.5	62%	0.615	47%	0.474	S	S	*	.	H	α-helix	trans	-63.7	-38.5	174.3	-73.6	179.9	-168.9	177.4	8.2	112.1	E375 E376 I381 E382 V383	E375-R379 WeakPolarHBondContact O-CB 3.14Å; E375-R379 WeakPolarHBondContact O-CG 3.31Å; E375-R379 PolarHBondContact O-N 3.1Å; E375-R379 IonicContact OE2-NH2 3.5Å; E376-R379 PolarHBondContact O-N 3.29Å; R379-I381 VanDerWaalsContact C-N 3.3Å; R379-I381 PolarHBondContact O-N 2.86Å; R379-E382 PolarHBondContact O-N 3.41Å; R379-V383 VanDerWaalsContact O-CG2 3.29Å; R379-V383 WeakPolarHBondContact O-CG2 3.49Å; R379-V383 PolarHBondContact O-N 2.82Å; R379-V383 VanDerWaalsContact O-N 3.07Å
380	K	60.7	Low	46.7	Very low	107 Å²	107	93 Å²	93	47%	0.465	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-34.3	175.3	-75.5	173.1	-174.7	165.2	0	112.3	E376 T377 A378 R384	E376-K380 WeakPolarHBondContact O-CG 3.43Å; E376-K380 PolarHBondContact O-N 2.97Å; E376-K380 VanDerWaalsContact OE1-CE 3.29Å; E376-K380 WeakPolarHBondContact OE1-CE 3.44Å; E376-K380 IonicContact OE1-NZ 3.91Å; E376-K380 PolarHBondContact OE1-NZ 2.8Å; T377-K380 PolarHBondContact O-N 3.38Å; A378-K380 PolarHBondContact O-N 3.38Å; K380-R384 WeakPolarHBondContact O-CG 3.41Å; K380-R384 PolarHBondContact O-N 2.88Å; K380-R384 VanDerWaalsContact O-N 3.16Å
381	I	56.8	Low	46.6	Very low	25 Å²	25	96.3 Å²	96.3	13%	0.128	48%	0.479	C	S	.	.	H	α-helix	trans	-70.1	-46.1	175.3	-65.9	164	0	0	0	110.7	T377 A378 R379 V383 R384 E385 A451 V454	T377-I381 VanDerWaalsContact O-CG1 3.31Å; T377-I381 WeakPolarHBondContact O-CG1 3.4Å; T377-I381 PolarHBondContact O-N 3.42Å; T377-I381 VanDerWaalsContact O-N 3.08Å; A378-I381 PolarHBondContact O-N 3.46Å; R379-I381 VanDerWaalsContact C-N 3.3Å; R379-I381 PolarHBondContact O-N 2.86Å; I381-V383 VanDerWaalsContact C-N 3.31Å; I381-V383 PolarHBondContact O-N 2.96Å; I381-R384 PolarHBondContact O-N 3.2Å; I381-R384 VanDerWaalsContact O-N 3.09Å; I381-E385 PolarHBondContact O-N 3.48Å; I381-A451 HydrophobicContact CG2-CB 4.37Å; I381-V454 HydrophobicContact CD1-CB 4.44Å; I381-V454 HydrophobicContact CD1-CG2 4.09Å
382	E	53	Low	46.3	Very low	120 Å²	120	94.3 Å²	94.3	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-37.5	177.8	-73.9	172.7	-173.2	0	0	112.7	A378 R379	A378-E382 PolarHBondContact O-N 2.85Å; R379-E382 PolarHBondContact O-N 3.41Å
383	V	57.2	Low	45.8	Very low	99 Å²	99	100.4 Å²	100.4	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-70.7	-33.4	175.2	174	0	0	0	0	111.8	R379 I381	R379-V383 VanDerWaalsContact O-CG2 3.29Å; R379-V383 WeakPolarHBondContact O-CG2 3.49Å; R379-V383 PolarHBondContact O-N 2.82Å; R379-V383 VanDerWaalsContact O-N 3.07Å; I381-V383 VanDerWaalsContact C-N 3.31Å; I381-V383 PolarHBondContact O-N 2.96Å
384	R	50.5	Low	45	Very low	82 Å²	82	103.5 Å²	103.5	31%	0.309	53%	0.53	S	S	.	.	H	α-helix	trans	-72.3	-37.8	176	-85.8	174.4	169.7	162.1	-1.1	112.5	K380 I381 Q386 A387 D388 D618	K380-R384 WeakPolarHBondContact O-CG 3.41Å; K380-R384 PolarHBondContact O-N 2.88Å; K380-R384 VanDerWaalsContact O-N 3.16Å; I381-R384 PolarHBondContact O-N 3.2Å; I381-R384 VanDerWaalsContact O-N 3.09Å; R384-Q386 PolarHBondContact O-N 3.37Å; R384-A387 PolarHBondContact O-N 2.87Å; R384-D388 PolarHBondContact O-N 3.35Å; R384-D388 VanDerWaalsContact O-N 3.09Å; R384-D618 IonicContact CZ-OD1 3.77Å; R384-D618 IonicContact NH1-OD1 3.8Å; R384-D618 PolarHBondContact NH1-OD1 3.34Å; R384-D618 IonicContact NH2-OD1 2.94Å
385	E	45.8	Very low	43.8	Very low	102 Å²	102	106 Å²	106	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-60.6	-25.6	175.4	-75.3	-175.8	171.9	0	0	112.6	I381 N389 R455	I381-E385 PolarHBondContact O-N 3.48Å; E385-N389 PolarHBondContact O-ND2 3.19Å; E385-R455 IonicContact OE1-NH2 3.67Å
386	Q	39.8	Very low	42.7	Very low	158 Å²	158	107 Å²	107	74%	0.738	58%	0.577	S	S	*	*	H	α-helix	trans	-80.1	-26.1	174.1	-71	176.9	-8.7	0	0	113.6	R384	R384-Q386 PolarHBondContact O-N 3.37Å
387	A	41.7	Very low	41.3	Very low	63 Å²	63	108 Å²	108	52%	0.521	59%	0.594	S	S	.	*	H	α-helix	trans	-88.5	-30.2	-178.3	0	0	0	0	0	113.5	R384 N389	R384-A387 PolarHBondContact O-N 2.87Å; A387-N389 VanDerWaalsContact C-N 3.3Å; A387-N389 PolarHBondContact O-N 2.7Å
388	D	40.6	Very low	40.1	Very low	93 Å²	93	111.4 Å²	111.4	50%	0.497	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-80.7	-4.9	-177.8	-77.4	-25	0	0	0	113.7	R384 D390 R621	R384-D388 PolarHBondContact O-N 3.35Å; R384-D388 VanDerWaalsContact O-N 3.09Å; D388-D390 VanDerWaalsContact C-N 3.27Å; D388-D390 PolarHBondContact O-N 3.29Å; D388-R621 IonicContact OD2-NH2 2.69Å
389	N	36.3	Very low	38.9	Very low	135 Å²	135	119.5 Å²	119.5	72%	0.722	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-71.3	-13	176.5	-92.9	-32.9	0	0	0	114.6	E385 A387	E385-N389 PolarHBondContact O-ND2 3.19Å; A387-N389 VanDerWaalsContact C-N 3.3Å; A387-N389 PolarHBondContact O-N 2.7Å
390	D	34.3	Very low	37.7	Very low	153 Å²	153	118.4 Å²	118.4	82%	0.818	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-90.5	-4.8	-179.1	-85.9	-21.7	0	0	0	114.6	D388	D388-D390 VanDerWaalsContact C-N 3.27Å; D388-D390 PolarHBondContact O-N 3.29Å
391	Y	32.7	Very low	36.2	Very low	214 Å²	214	116 Å²	116	84%	0.839	67%	0.672	S	S	*	*	S	Bend	trans	-107.5	11.1	-179.6	-83.7	-84.1	0	0	0	115.1	K393	Y391-K393 PolarHBondContact O-N 2.89Å
392	G	25.4	Very low	35.1	Very low	62 Å²	62	125 Å²	125	64%	0.639	71%	0.711	S	S	*	*			trans	-84.5	89	-179.8	0	0	0	0	0	113.9
393	K	25.2	Very low	34.2	Very low	213 Å²	213	123.2 Å²	123.2	93%	0.926	71%	0.707	S	S	*	*			trans	174.8	82.1	150.2	-98	161.8	-170.2	178.5	0	111.9	Y391	Y391-K393 PolarHBondContact O-N 2.89Å
394	A	26.7	Very low	33.3	Very low	95 Å²	95	121.1 Å²	121.1	79%	0.785	70%	0.697	S	S	*	*			trans	-147.7	90	159	0	0	0	0	0	109.5	T396	A394-T396 PolarHBondContact O-N 3.13Å
395	G	24.5	Very low	32.7	Very low	85 Å²	85	124.3 Å²	124.3	88%	0.876	71%	0.713	S	S	*	*			trans	-69.3	121.9	174.2	0	0	0	0	0	110.4
396	T	27.5	Very low	32.3	Very low	130 Å²	130	124.2 Å²	124.2	80%	0.798	72%	0.716	S	S	*	*			trans	-129	125	163.8	51.6	0	0	0	0	109.1	A394 S398	A394-T396 PolarHBondContact O-N 3.13Å; T396-S398 PolarHBondContact O-N 2.74Å
397	S	25.2	Very low	32.4	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	70%	0.702	S	S	*	*			trans	-66.4	110	-177.5	174.8	0	0	0	0	110.5	H399	S397-H399 PolarHBondContact O-N 3.08Å
398	S	27.4	Very low	32.4	Very low	114 Å²	114	120.6 Å²	120.6	80%	0.797	69%	0.689	S	S	*	*			trans	-91.7	82.7	178	56.4	0	0	0	0	111.6	T396	T396-S398 PolarHBondContact O-N 2.74Å
399	H	28.4	Very low	32.3	Very low	180 Å²	180	122 Å²	122	83%	0.833	69%	0.69	S	S	*	*			trans	-124.1	64.9	165.3	-94	-41.5	0	0	0	110.9	S397	S397-H399 PolarHBondContact O-N 3.08Å
400	V	32.3	Very low	32.7	Very low	141 Å²	141	119.1 Å²	119.1	86%	0.855	67%	0.673	S	S	*	*			trans	-103.9	102.9	162.1	-176.6	0	0	0	0	107.5
401	G	28.8	Very low	32.8	Very low	57 Å²	57	116.1 Å²	116.1	59%	0.588	65%	0.653	S	S	*	*			trans	-64.3	149.2	-177.9	0	0	0	0	0	111.8	V403	G401-V403 VanDerWaalsContact C-N 3.32Å; G401-V403 PolarHBondContact O-N 3.06Å
402	K	34.5	Very low	33.1	Very low	214 Å²	214	106.1 Å²	106.1	93%	0.93	61%	0.614	S	S	*	*			trans	-53.2	86.9	172.5	-65.5	173.2	177.2	176.9	0	111	S404	K402-S404 PolarHBondContact O-N 3.05Å
403	V	34.6	Very low	33.9	Very low	82 Å²	82	109.9 Å²	109.9	50%	0.497	62%	0.615	S	S	.	*			trans	-81.8	104.7	167.1	-176.3	0	0	0	0	106.2	G401 H407 L408	G401-V403 VanDerWaalsContact C-N 3.32Å; G401-V403 PolarHBondContact O-N 3.06Å; V403-H407 HydrophobicContact CG1-CB 3.96Å; V403-L408 HydrophobicContact CG1-CD1 4.28Å
404	S	37.3	Very low	34.5	Very low	54 Å²	54	104.9 Å²	104.9	38%	0.378	59%	0.594	S	S	.	*			trans	-66.5	146	171.9	70.3	0	0	0	0	109.5	K402 L406 H407	K402-S404 PolarHBondContact O-N 3.05Å; S404-L406 PolarHBondContact O-N 3.45Å; S404-L406 WeakPolarHBondContact OG-CB 3.44Å; S404-H407 WeakPolarHBondContact O-CB 3.37Å; S404-H407 PolarHBondContact O-N 3.31Å; S404-H407 PolarHBondContact OG-CE1 2.9Å; S404-H407 PolarHBondContact OG-ND1 2.92Å
405	F	37.9	Very low	34.9	Very low	149 Å²	149	101.7 Å²	101.7	65%	0.654	57%	0.566	S	S	*	*	H	α-helix	trans	-48	-27.3	172.6	-172.1	-98.5	0	0	0	112.9	L408 K409	F405-L408 PolarHBondContact O-N 3.34Å; F405-K409 PolarHBondContact O-N 3.16Å
406	L	37.9	Very low	35.6	Very low	100 Å²	100	103.3 Å²	103.3	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-39.4	174.5	-150.7	77.6	0	0	0	113.2	S404 K409 Q410	S404-L406 PolarHBondContact O-N 3.45Å; S404-L406 WeakPolarHBondContact OG-CB 3.44Å; L406-K409 PolarHBondContact O-N 3.37Å; L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 VanDerWaalsContact O-CG 3.29Å; L406-Q410 WeakPolarHBondContact O-CG 3.41Å; L406-Q410 PolarHBondContact O-N 2.88Å
407	H	41.7	Very low	36.2	Very low	97 Å²	97	100.4 Å²	100.4	45%	0.449	55%	0.553	S	S	.	*	H	α-helix	trans	-70.1	-34.5	178	-69.7	98.9	0	0	0	111.7	V403 S404 Q410 F411	V403-H407 HydrophobicContact CG1-CB 3.96Å; S404-H407 WeakPolarHBondContact O-CB 3.37Å; S404-H407 PolarHBondContact O-N 3.31Å; S404-H407 PolarHBondContact OG-CE1 2.9Å; S404-H407 PolarHBondContact OG-ND1 2.92Å; H407-Q410 PolarHBondContact O-N 3.42Å; H407-F411 WeakPolarHBondContact O-CB 3.43Å; H407-F411 PolarHBondContact O-N 3.33Å
408	L	41.6	Very low	37	Very low	48 Å²	48	103 Å²	103	25%	0.251	55%	0.549	S	S	.	.	H	α-helix	trans	-68.4	-41.3	174.4	-115.3	142.8	0	0	0	111.6	V403 F405 F411 A412	V403-L408 HydrophobicContact CG1-CD1 4.28Å; F405-L408 PolarHBondContact O-N 3.34Å; L408-F411 PolarHBondContact O-N 2.93Å; L408-A412 PolarHBondContact O-N 2.95Å; L408-A412 VanDerWaalsContact O-N 3.12Å
409	K	39.3	Very low	37.5	Very low	122 Å²	122	103.2 Å²	103.2	53%	0.53	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-37.9	174.3	-166.7	177.7	-176.8	178.9	0	112.7	F405 L406 F423	F405-K409 PolarHBondContact O-N 3.16Å; L406-K409 PolarHBondContact O-N 3.37Å; K409-F423 HydrophobicContact CG-CZ 4.46Å
410	Q	43.1	Very low	38.1	Very low	76 Å²	76	100.6 Å²	100.6	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-67.6	-38.2	173.8	-75.2	172.1	-14.9	0	0	111.5	L406 H407 Q413 F414	L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 VanDerWaalsContact O-CG 3.29Å; L406-Q410 WeakPolarHBondContact O-CG 3.41Å; L406-Q410 PolarHBondContact O-N 2.88Å; H407-Q410 PolarHBondContact O-N 3.42Å; Q410-Q413 PolarHBondContact O-N 3.21Å; Q410-F414 WeakPolarHBondContact O-CD2 3.35Å
411	F	36.6	Very low	38.6	Very low	90 Å²	90	100.7 Å²	100.7	40%	0.395	51%	0.513	S	S	.	.	H	α-helix	trans	-65.4	-40	179.1	-159	-93.8	0	0	0	112.9	V249 H407 L408 Q413 F414 S415 M422	V249-F411 HydrophobicContact CB-CE2 4.5Å; V249-F411 HydrophobicContact CG1-CD2 3.55Å; V249-F411 HydrophobicContact CG1-CE2 3.64Å; H407-F411 WeakPolarHBondContact O-CB 3.43Å; H407-F411 PolarHBondContact O-N 3.33Å; L408-F411 PolarHBondContact O-N 2.93Å; F411-Q413 PolarHBondContact O-N 3.46Å; F411-F414 PolarHBondContact O-N 3.34Å; F411-F414 VanDerWaalsContact O-N 3.08Å; F411-S415 PolarHBondContact O-N 2.97Å; F411-M422 HydrophobicContact CD1-CE 4.24Å; F411-M422 HydrophobicContact CD1-SD 4.05Å; F411-M422 HydrophobicContact CE1-CE 3.79Å; F411-M422 HydrophobicContact CE1-SD 4.22Å
412	A	39.2	Very low	38.6	Very low	4 Å²	4	100.4 Å²	100.4	3%	0.033	50%	0.497	C	S	.	.	H	α-helix	trans	-61.3	-26.7	177.6	0	0	0	0	0	113.4	L408 F419 F423	L408-A412 PolarHBondContact O-N 2.95Å; L408-A412 VanDerWaalsContact O-N 3.12Å; A412-F419 HydrophobicContact CB-CD1 4.39Å; A412-F419 HydrophobicContact CB-CE1 4.38Å; A412-F419 WeakPolarHBondContact O-CE1 3.5Å; A412-F423 HydrophobicContact CB-CD2 4.22Å; A412-F423 HydrophobicContact CB-CE2 3.43Å; A412-F423 VanDerWaalsContact CB-CE2 3.43Å; A412-F423 HydrophobicContact CB-CZ 3.72Å
413	Q	42.6	Very low	38.8	Very low	140 Å²	140	93.4 Å²	93.4	65%	0.654	47%	0.467	S	S	*	.	H	α-helix	trans	-78.3	-19.1	176.9	-73.4	-177.3	-31.6	0	0	114	Q410 F411	Q410-Q413 PolarHBondContact O-N 3.21Å; F411-Q413 PolarHBondContact O-N 3.46Å
414	F	37.7	Very low	39.3	Very low	109 Å²	109	93.5 Å²	93.5	48%	0.478	47%	0.465	S	S	.	.	H	α-helix	trans	-103.1	-10.6	-176.9	-79.7	-80.5	0	0	0	114.1	V247 V249 Q410 F411	V247-F414 HydrophobicContact CG1-CE1 4.48Å; V249-F414 HydrophobicContact CG2-CB 3.81Å; V249-F414 HydrophobicContact CG2-CD1 4.09Å; V249-F414 HydrophobicContact CG2-CD2 3.99Å; V249-F414 HydrophobicContact CG2-CG 3.7Å; Q410-F414 WeakPolarHBondContact O-CD2 3.35Å; F411-F414 PolarHBondContact O-N 3.34Å; F411-F414 VanDerWaalsContact O-N 3.08Å
415	S	35.1	Very low	39.6	Very low	28 Å²	28	95.7 Å²	95.7	20%	0.196	47%	0.469	C	S	.	.			trans	-91.8	137.7	179.9	79.1	0	0	0	0	112.3	F411 V417 M422	F411-S415 PolarHBondContact O-N 2.97Å; S415-V417 PolarHBondContact O-N 3.42Å; S415-V417 VanDerWaalsContact O-N 3.1Å; S415-M422 VanDerWaalsContact CB-SD 3.54Å; S415-M422 PolarHBondContact OG-SD 3.16Å
416	A	40	Very low	39.6	Very low	118 Å²	118	89 Å²	89	98%	0.975	44%	0.442	S	S	*	.	S	Bend	trans	-74.7	16	169.5	0	0	0	0	0	113.5
417	V	38.5	Very low	40.2	Very low	70 Å²	70	89.2 Å²	89.2	42%	0.424	44%	0.441	S	S	.	.	S	Bend	trans	-93.6	139.5	-179	-178	0	0	0	0	108.4	S415 F419 M422	S415-V417 PolarHBondContact O-N 3.42Å; S415-V417 VanDerWaalsContact O-N 3.1Å; V417-F419 PolarHBondContact O-N 3.05Å; V417-F419 VanDerWaalsContact O-N 3.16Å; V417-M422 HydrophobicContact CB-CE 4.06Å; V417-M422 HydrophobicContact CB-CG 4.28Å; V417-M422 HydrophobicContact CB-SD 4.28Å; V417-M422 HydrophobicContact CG1-CG 4.11Å; V417-M422 HydrophobicContact CG2-CE 3.92Å
418	K	42.7	Very low	40.8	Very low	169 Å²	169	87.6 Å²	87.6	74%	0.735	43%	0.432	S	S	*	.			trans	-49.2	123.9	177.9	-77.8	-175.8	174.8	-176	0	110	D420 R421	K418-D420 PolarHBondContact O-N 3.11Å; K418-D420 VanDerWaalsContact O-N 3.09Å; K418-R421 PolarHBondContact O-N 3.43Å; K418-R421 VanDerWaalsContact O-N 3.14Å
419	F	37.3	Very low	41.2	Very low	119 Å²	119	90.8 Å²	90.8	52%	0.522	45%	0.448	S	S	.	.	H	α-helix	trans	-44.4	-44	-175.8	-87.4	-90.8	0	0	0	113	A412 V417 R421 M422 F423	A412-F419 HydrophobicContact CB-CD1 4.39Å; A412-F419 HydrophobicContact CB-CE1 4.38Å; A412-F419 WeakPolarHBondContact O-CE1 3.5Å; V417-F419 PolarHBondContact O-N 3.05Å; V417-F419 VanDerWaalsContact O-N 3.16Å; F419-R421 PolarHBondContact O-N 2.96Å; F419-M422 PolarHBondContact O-N 3.2Å; F419-F423 HydrophobicContact CD1-CE2 4.23Å; F419-F423 WeakPolarHBondContact O-CD2 3.42Å; F419-F423 PolarHBondContact O-N 3.45Å
420	D	42.1	Very low	41.7	Very low	126 Å²	126	90.1 Å²	90.1	67%	0.674	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-44.2	-176.1	-62.7	-27.6	0	0	0	113.6	K418 M422 F423 D424	K418-D420 PolarHBondContact O-N 3.11Å; K418-D420 VanDerWaalsContact O-N 3.09Å; D420-M422 PolarHBondContact O-N 3.34Å; D420-F423 PolarHBondContact O-N 3.08Å; D420-D424 VanDerWaalsContact O-CG 3.24Å; D420-D424 PolarHBondContact O-N 2.99Å; D420-D424 VanDerWaalsContact O-N 3.15Å
421	R	41.2	Very low	42.5	Very low	143 Å²	143	88.6 Å²	88.6	54%	0.54	44%	0.439	S	S	.	.	H	α-helix	trans	-71.6	-29.3	-173.9	-74.1	-171.6	178.1	-177.1	-4.4	114	K418 F419 E425 Y659	K418-R421 PolarHBondContact O-N 3.43Å; K418-R421 VanDerWaalsContact O-N 3.14Å; F419-R421 PolarHBondContact O-N 2.96Å; R421-E425 WeakPolarHBondContact O-CB 3.45Å; R421-E425 PolarHBondContact O-N 3.48Å; R421-E425 VanDerWaalsContact O-N 3.1Å; R421-Y659 PolarHBondContact NH2-OH 2.88Å
422	M	30.5	Very low	43.5	Very low	50 Å²	50	87.2 Å²	87.2	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-79.1	-31.7	179.8	-95.1	-163.2	172.7	0	0	112.8	F411 S415 V417 F419 D420 G426	F411-M422 HydrophobicContact CD1-CE 4.24Å; F411-M422 HydrophobicContact CD1-SD 4.05Å; F411-M422 HydrophobicContact CE1-CE 3.79Å; F411-M422 HydrophobicContact CE1-SD 4.22Å; S415-M422 VanDerWaalsContact CB-SD 3.54Å; S415-M422 PolarHBondContact OG-SD 3.16Å; V417-M422 HydrophobicContact CB-CE 4.06Å; V417-M422 HydrophobicContact CB-CG 4.28Å; V417-M422 HydrophobicContact CB-SD 4.28Å; V417-M422 HydrophobicContact CG1-CG 4.11Å; V417-M422 HydrophobicContact CG2-CE 3.92Å; F419-M422 PolarHBondContact O-N 3.2Å; D420-M422 PolarHBondContact O-N 3.34Å; M422-G426 PolarHBondContact O-N 3.32Å
423	F	37.5	Very low	44.5	Very low	68 Å²	68	88.4 Å²	88.4	30%	0.298	45%	0.45	S	S	.	.	H	α-helix	trans	-68.9	-43.7	172	-84.4	-77.3	0	0	0	110.5	K409 A412 F419 D420 E425 G426 E427	K409-F423 HydrophobicContact CG-CZ 4.46Å; A412-F423 HydrophobicContact CB-CD2 4.22Å; A412-F423 HydrophobicContact CB-CE2 3.43Å; A412-F423 VanDerWaalsContact CB-CE2 3.43Å; A412-F423 HydrophobicContact CB-CZ 3.72Å; F419-F423 HydrophobicContact CD1-CE2 4.23Å; F419-F423 WeakPolarHBondContact O-CD2 3.42Å; F419-F423 PolarHBondContact O-N 3.45Å; D420-F423 PolarHBondContact O-N 3.08Å; F423-E425 PolarHBondContact O-N 3Å; F423-G426 PolarHBondContact O-N 2.97Å; F423-E427 WeakPolarHBondContact O-CB 3.43Å; F423-E427 PolarHBondContact O-N 3.32Å
424	D	45.9	Very low	45.6	Very low	84 Å²	84	83.3 Å²	83.3	45%	0.449	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.7	-66.4	-22.3	0	0	0	111.8	D420 K428	D420-D424 VanDerWaalsContact O-CG 3.24Å; D420-D424 PolarHBondContact O-N 2.99Å; D420-D424 VanDerWaalsContact O-N 3.15Å; D424-K428 WeakPolarHBondContact O-CB 3.15Å; D424-K428 VanDerWaalsContact O-CG 3.22Å; D424-K428 WeakPolarHBondContact O-CG 3.43Å; D424-K428 PolarHBondContact O-N 3.03Å
425	E	43.1	Very low	46.9	Very low	99 Å²	99	79.2 Å²	79.2	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-68.9	-42.1	179.9	-157.9	67.4	-160.1	0	0	112.2	R421 F423 E427 K428 I429	R421-E425 WeakPolarHBondContact O-CB 3.45Å; R421-E425 PolarHBondContact O-N 3.48Å; R421-E425 VanDerWaalsContact O-N 3.1Å; F423-E425 PolarHBondContact O-N 3Å; E425-E427 VanDerWaalsContact C-N 3.34Å; E425-K428 PolarHBondContact O-N 3.19Å; E425-I429 HydrophobicContact CG-CD1 4.36Å; E425-I429 VanDerWaalsContact O-CG1 3.27Å; E425-I429 WeakPolarHBondContact O-CG1 3.44Å; E425-I429 PolarHBondContact O-N 3.36Å
426	G	38	Very low	48.4	Very low	9 Å²	9	84.2 Å²	84.2	9%	0.093	43%	0.429	C	S	.	.	H	α-helix	trans	-65.6	-37.9	177.4	0	0	0	0	0	112.9	M422 F423 F430	M422-G426 PolarHBondContact O-N 3.32Å; F423-G426 PolarHBondContact O-N 2.97Å; G426-F430 VanDerWaalsContact O-CB 3.31Å; G426-F430 WeakPolarHBondContact O-CB 3.41Å; G426-F430 PolarHBondContact O-N 3.26Å
427	E	49.8	Very low	49.8	Very low	105 Å²	105	84.4 Å²	84.4	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-67.6	-43.9	173.1	-174.9	172.6	-178.7	0	0	110.9	F423 E425 I429 F430 Q431	F423-E427 WeakPolarHBondContact O-CB 3.43Å; F423-E427 PolarHBondContact O-N 3.32Å; E425-E427 VanDerWaalsContact C-N 3.34Å; E427-I429 PolarHBondContact O-N 2.95Å; E427-F430 PolarHBondContact O-N 3.48Å; E427-Q431 HydrophobicContact CG-CG 4.12Å; E427-Q431 VanDerWaalsContact O-CB 3.29Å; E427-Q431 WeakPolarHBondContact O-CB 3.44Å; E427-Q431 WeakPolarHBondContact O-CG 3.38Å; E427-Q431 PolarHBondContact O-N 3.35Å; E427-Q431 PolarHBondContact OE1-NE2 3Å
428	K	55.3	Low	51.4	Low	62 Å²	62	81.4 Å²	81.4	27%	0.27	39%	0.391	S	S	.	.	H	α-helix	trans	-59.4	-43.3	174.5	-76.1	170.6	-170.4	166.8	0	112.3	D424 E425 T432 L660 D661	D424-K428 WeakPolarHBondContact O-CB 3.15Å; D424-K428 VanDerWaalsContact O-CG 3.22Å; D424-K428 WeakPolarHBondContact O-CG 3.43Å; D424-K428 PolarHBondContact O-N 3.03Å; E425-K428 PolarHBondContact O-N 3.19Å; K428-T432 VanDerWaalsContact O-CB 3.24Å; K428-T432 WeakPolarHBondContact O-CB 3.4Å; K428-T432 PolarHBondContact O-N 2.95Å; K428-T432 PolarHBondContact O-OG1 2.99Å; K428-L660 PolarHBondContact NZ-O 3.13Å; K428-D661 PolarHBondContact NZ-O 3.36Å
429	I	49	Very low	52.7	Low	116 Å²	116	79.2 Å²	79.2	60%	0.595	38%	0.378	S	S	*	.	H	α-helix	trans	-65.4	-44.8	176.6	-67.8	165.3	0	0	0	110.6	E425 E427 T432 G433	E425-I429 HydrophobicContact CG-CD1 4.36Å; E425-I429 VanDerWaalsContact O-CG1 3.27Å; E425-I429 WeakPolarHBondContact O-CG1 3.44Å; E425-I429 PolarHBondContact O-N 3.36Å; E427-I429 PolarHBondContact O-N 2.95Å; I429-T432 PolarHBondContact O-N 3.36Å; I429-G433 PolarHBondContact O-N 2.82Å
430	F	50.5	Low	54.3	Low	108 Å²	108	76 Å²	76	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-47.6	178.1	179.1	-95.7	0	0	0	111.8	G426 E427 T432 G433 F434	G426-F430 VanDerWaalsContact O-CB 3.31Å; G426-F430 WeakPolarHBondContact O-CB 3.41Å; G426-F430 PolarHBondContact O-N 3.26Å; E427-F430 PolarHBondContact O-N 3.48Å; F430-T432 VanDerWaalsContact C-N 3.33Å; F430-T432 PolarHBondContact O-N 3.3Å; F430-G433 PolarHBondContact O-N 2.89Å; F430-F434 WeakPolarHBondContact O-CB 3.14Å; F430-F434 PolarHBondContact O-N 2.85Å
431	Q	59.1	Low	55.7	Low	44 Å²	44	72.8 Å²	72.8	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-44.2	176.5	-72.6	-179.2	9.7	0	0	110.5	E427 M435 L531	E427-Q431 HydrophobicContact CG-CG 4.12Å; E427-Q431 VanDerWaalsContact O-CB 3.29Å; E427-Q431 WeakPolarHBondContact O-CB 3.44Å; E427-Q431 WeakPolarHBondContact O-CG 3.38Å; E427-Q431 PolarHBondContact O-N 3.35Å; E427-Q431 PolarHBondContact OE1-NE2 3Å; Q431-M435 VanDerWaalsContact O-CB 3.24Å; Q431-M435 WeakPolarHBondContact O-CB 3.49Å; Q431-M435 WeakPolarHBondContact O-CG 3.44Å; Q431-M435 PolarHBondContact O-N 3.44Å; Q431-L531 HydrophobicContact CG-CD2 4.23Å
432	T	59.1	Low	57.2	Low	61 Å²	61	66 Å²	66	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-45.6	179.6	-56.8	0	0	0	0	111.7	K428 I429 F430 M435 Q436	K428-T432 VanDerWaalsContact O-CB 3.24Å; K428-T432 WeakPolarHBondContact O-CB 3.4Å; K428-T432 PolarHBondContact O-N 2.95Å; K428-T432 PolarHBondContact O-OG1 2.99Å; I429-T432 PolarHBondContact O-N 3.36Å; F430-T432 VanDerWaalsContact C-N 3.33Å; F430-T432 PolarHBondContact O-N 3.3Å; T432-M435 PolarHBondContact O-N 3.47Å; T432-Q436 WeakPolarHBondContact O-CB 3.43Å; T432-Q436 WeakPolarHBondContact O-CG 3.4Å; T432-Q436 PolarHBondContact O-N 3.1Å
433	G	58.9	Low	59.1	Low	29 Å²	29	67 Å²	67	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-43.6	176.3	0	0	0	0	0	112.7	I429 F430 Q436 Q437	I429-G433 PolarHBondContact O-N 2.82Å; F430-G433 PolarHBondContact O-N 2.89Å; G433-Q436 PolarHBondContact O-N 2.89Å; G433-Q437 WeakPolarHBondContact O-CB 3.37Å; G433-Q437 PolarHBondContact O-N 3.14Å
434	F	65.6	Low	60.8	Low	33 Å²	33	70 Å²	70	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-46.6	175.4	179.1	-97.9	0	0	0	111.3	F430 Q436 Q437 Q438 C527 L531	F430-F434 WeakPolarHBondContact O-CB 3.14Å; F430-F434 PolarHBondContact O-N 2.85Å; F434-Q436 PolarHBondContact O-N 2.88Å; F434-Q437 PolarHBondContact O-N 3.33Å; F434-Q438 HydrophobicContact CD1-CG 4.1Å; F434-Q438 HydrophobicContact CD2-CG 4.18Å; F434-Q438 HydrophobicContact CE1-CG 3.72Å; F434-Q438 HydrophobicContact CE2-CG 3.8Å; F434-Q438 HydrophobicContact CG-CG 4.32Å; F434-Q438 HydrophobicContact CZ-CG 3.55Å; F434-Q438 WeakPolarHBondContact O-CB 3.24Å; F434-Q438 VanDerWaalsContact O-CG 3.3Å; F434-Q438 WeakPolarHBondContact O-CG 3.34Å; F434-Q438 PolarHBondContact O-N 3.29Å; F434-C527 HydrophobicContact CE1-CB 4.15Å; F434-C527 HydrophobicContact CZ-CB 3.96Å; F434-L531 HydrophobicContact CD1-CD1 3.65Å; F434-L531 HydrophobicContact CE1-CD1 3.88Å
435	M	66.3	Low	62.3	Low	23 Å²	23	66.9 Å²	66.9	11%	0.113	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-41.3	179.5	-67.4	-79.5	-71.4	0	0	111.9	Q431 T432 R439 Y528 L531 C532	Q431-M435 VanDerWaalsContact O-CB 3.24Å; Q431-M435 WeakPolarHBondContact O-CB 3.49Å; Q431-M435 WeakPolarHBondContact O-CG 3.44Å; Q431-M435 PolarHBondContact O-N 3.44Å; T432-M435 PolarHBondContact O-N 3.47Å; M435-R439 VanDerWaalsContact O-CB 3.24Å; M435-R439 WeakPolarHBondContact O-CB 3.29Å; M435-R439 PolarHBondContact O-N 3.36Å; M435-Y528 HydrophobicContact CB-CD2 4.47Å; M435-Y528 HydrophobicContact CB-CE2 4.15Å; M435-Y528 HydrophobicContact CE-CD2 4.1Å; M435-Y528 HydrophobicContact CE-CE2 3.69Å; M435-Y528 HydrophobicContact CG-CD2 4.46Å; M435-Y528 HydrophobicContact CG-CE2 4.46Å; M435-Y528 WeakPolarHBondContact O-CE2 3.44Å; M435-Y528 HydrophobicContact SD-CD2 3.37Å; M435-Y528 WeakPolarHBondContact SD-CD2 2.93Å; M435-Y528 HydrophobicContact SD-CE2 3.54Å; M435-Y528 VanDerWaalsContact SD-CE2 3.54Å; M435-Y528 HydrophobicContact SD-CG 4.28Å; M435-L531 HydrophobicContact CE-CB 4.47Å; M435-L531 HydrophobicContact SD-CB 3.59Å; M435-L531 VanDerWaalsContact SD-CB 3.59Å; M435-L531 HydrophobicContact SD-CD1 4.15Å; M435-C532 HydrophobicContact CE-CB 4.41Å; M435-C532 WeakPolarHBondContact CE-SG 3.27Å
436	Q	66.8	Low	64	Low	132 Å²	132	62.3 Å²	62.3	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-43.7	175.1	-74.5	177.6	-2.6	0	0	112	T432 G433 F434 R439 A440	T432-Q436 WeakPolarHBondContact O-CB 3.43Å; T432-Q436 WeakPolarHBondContact O-CG 3.4Å; T432-Q436 PolarHBondContact O-N 3.1Å; G433-Q436 PolarHBondContact O-N 2.89Å; F434-Q436 PolarHBondContact O-N 2.88Å; Q436-R439 PolarHBondContact O-N 3.04Å; Q436-A440 PolarHBondContact O-N 3.01Å
437	Q	69.7	Low	65.9	Low	122 Å²	122	63.3 Å²	63.3	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-65.1	-45.8	178.5	-175.1	178.1	-1.3	0	0	111.7	G433 F434 R439 A440 L441	G433-Q437 WeakPolarHBondContact O-CB 3.37Å; G433-Q437 PolarHBondContact O-N 3.14Å; F434-Q437 PolarHBondContact O-N 3.33Å; Q437-R439 VanDerWaalsContact C-N 3.35Å; Q437-A440 PolarHBondContact O-N 2.81Å; Q437-L441 HydrophobicContact CG-CD1 4.22Å; Q437-L441 WeakPolarHBondContact O-CG 3.32Å; Q437-L441 PolarHBondContact O-N 2.84Å
438	Q	71.7	Confident	67.3	Low	8 Å²	8	64.9 Å²	64.9	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-65.9	-38.8	178	-70.7	-57	-31.4	0	0	111.6	F434 A440 L441 I442 D524 Y528	F434-Q438 HydrophobicContact CD1-CG 4.1Å; F434-Q438 HydrophobicContact CD2-CG 4.18Å; F434-Q438 HydrophobicContact CE1-CG 3.72Å; F434-Q438 HydrophobicContact CE2-CG 3.8Å; F434-Q438 HydrophobicContact CG-CG 4.32Å; F434-Q438 HydrophobicContact CZ-CG 3.55Å; F434-Q438 WeakPolarHBondContact O-CB 3.24Å; F434-Q438 VanDerWaalsContact O-CG 3.3Å; F434-Q438 WeakPolarHBondContact O-CG 3.34Å; F434-Q438 PolarHBondContact O-N 3.29Å; Q438-A440 PolarHBondContact O-N 3.4Å; Q438-L441 PolarHBondContact O-N 2.78Å; Q438-I442 WeakPolarHBondContact O-CB 3.42Å; Q438-I442 WeakPolarHBondContact O-CD1 3.33Å; Q438-I442 WeakPolarHBondContact O-CG1 3.47Å; Q438-I442 PolarHBondContact O-N 3.3Å; Q438-D524 PolarHBondContact NE2-OD2 3.42Å; Q438-Y528 HydrophobicContact CB-CD2 3.6Å; Q438-Y528 HydrophobicContact CB-CE2 4.28Å; Q438-Y528 HydrophobicContact CB-CG 4.04Å; Q438-Y528 HydrophobicContact CG-CD2 4.45Å
439	R	69.4	Low	68.6	Low	122 Å²	122	64.9 Å²	64.9	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-46.3	172.1	-175.5	179.7	178.3	-174.4	0.9	111.6	M435 Q436 Q437 L441 I442 M443	M435-R439 VanDerWaalsContact O-CB 3.24Å; M435-R439 WeakPolarHBondContact O-CB 3.29Å; M435-R439 PolarHBondContact O-N 3.36Å; Q436-R439 PolarHBondContact O-N 3.04Å; Q437-R439 VanDerWaalsContact C-N 3.35Å; R439-L441 VanDerWaalsContact C-N 3.33Å; R439-L441 PolarHBondContact O-N 2.84Å; R439-I442 PolarHBondContact O-N 3.47Å; R439-M443 HydrophobicContact CG-CG 4.37Å; R439-M443 WeakPolarHBondContact O-CB 3.18Å; R439-M443 WeakPolarHBondContact O-CG 3.25Å; R439-M443 PolarHBondContact O-N 2.94Å
440	A	70.1	Confident	70.1	Confident	51 Å²	51	59.9 Å²	59.9	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-40.6	177.6	0	0	0	0	0	112.1	Q436 Q437 Q438 M443 H444	Q436-A440 PolarHBondContact O-N 3.01Å; Q437-A440 PolarHBondContact O-N 2.81Å; Q438-A440 PolarHBondContact O-N 3.4Å; A440-M443 PolarHBondContact O-N 3.45Å; A440-H444 PolarHBondContact O-CD2 2.94Å; A440-H444 PolarHBondContact O-N 3.26Å
441	L	73.1	Confident	71.5	Confident	59 Å²	59	55.3 Å²	55.3	31%	0.309	28%	0.283	S	S	.	.	I	π-helix	trans	-63.9	-44.5	175.5	-74.3	168.1	0	0	0	112.1	Q437 Q438 R439 M443 A445 F446	Q437-L441 HydrophobicContact CG-CD1 4.22Å; Q437-L441 WeakPolarHBondContact O-CG 3.32Å; Q437-L441 PolarHBondContact O-N 2.84Å; Q438-L441 PolarHBondContact O-N 2.78Å; R439-L441 VanDerWaalsContact C-N 3.33Å; R439-L441 PolarHBondContact O-N 2.84Å; L441-M443 VanDerWaalsContact C-N 3.35Å; L441-M443 PolarHBondContact O-N 3.41Å; L441-A445 HydrophobicContact CD2-CB 4.09Å; L441-A445 WeakPolarHBondContact O-CA 3.42Å; L441-A445 WeakPolarHBondContact O-CB 3.27Å; L441-A445 PolarHBondContact O-N 3.22Å; L441-F446 PolarHBondContact O-N 3.21Å
442	I	71.9	Confident	72.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-67.8	-36.3	179.3	-64.4	160	0	0	0	111.3	Q438 R439 F446 Y528 I624 I629	Q438-I442 WeakPolarHBondContact O-CB 3.42Å; Q438-I442 WeakPolarHBondContact O-CD1 3.33Å; Q438-I442 WeakPolarHBondContact O-CG1 3.47Å; Q438-I442 PolarHBondContact O-N 3.3Å; R439-I442 PolarHBondContact O-N 3.47Å; I442-F446 HydrophobicContact CB-CD2 4.48Å; I442-F446 HydrophobicContact CG1-CD2 4.33Å; I442-F446 HydrophobicContact CG1-CE1 4.5Å; I442-F446 HydrophobicContact CG1-CE2 3.92Å; I442-F446 HydrophobicContact CG1-CZ 4.03Å; I442-Y528 HydrophobicContact CD1-CD1 3.88Å; I442-Y528 HydrophobicContact CD1-CE1 4.12Å; I442-Y528 HydrophobicContact CD1-CG 4.33Å; I442-I624 HydrophobicContact CD1-CD1 4.29Å; I442-I624 HydrophobicContact CD1-CG2 4.2Å; I442-I624 HydrophobicContact CG2-CB 4.43Å; I442-I624 HydrophobicContact CG2-CD1 4.27Å; I442-I624 HydrophobicContact CG2-CG2 4Å; I442-I629 HydrophobicContact CG2-CD1 4.04Å
443	M	69.6	Low	73.6	Confident	72 Å²	72	52.9 Å²	52.9	36%	0.355	28%	0.275	S	S	.	.	I	π-helix	trans	-71.3	-44.2	179.4	-72.6	-63.8	-59.6	0	0	112.9	R439 A440 L441 L625 I629	R439-M443 HydrophobicContact CG-CG 4.37Å; R439-M443 WeakPolarHBondContact O-CB 3.18Å; R439-M443 WeakPolarHBondContact O-CG 3.25Å; R439-M443 PolarHBondContact O-N 2.94Å; A440-M443 PolarHBondContact O-N 3.45Å; L441-M443 VanDerWaalsContact C-N 3.35Å; L441-M443 PolarHBondContact O-N 3.41Å; M443-L625 HydrophobicContact CE-CD2 4.48Å; M443-L625 HydrophobicContact SD-CD2 3.49Å; M443-L625 WeakPolarHBondContact SD-CD2 3.35Å; M443-I629 HydrophobicContact SD-CD1 4.31Å
444	H	74.3	Confident	74.6	Confident	131 Å²	131	52.2 Å²	52.2	61%	0.606	27%	0.265	S	S	*	.	I	π-helix	trans	-106.3	-42.6	-170.8	-63.6	-68.9	0	0	0	113.6	A440 P447 E448	A440-H444 PolarHBondContact O-CD2 2.94Å; A440-H444 PolarHBondContact O-N 3.26Å; H444-P447 WeakPolarHBondContact O-CD 3.49Å; H444-P447 WeakPolarHBondContact O-CG 3.45Å; H444-E448 WeakPolarHBondContact O-CG 3.26Å
445	A	77.2	Confident	75.4	Confident	18 Å²	18	57.7 Å²	57.7	15%	0.149	28%	0.284	C	S	.	.	I	π-helix	trans	-83.5	-32.1	-171.6	0	0	0	0	0	113.4	L441 E448 K449	L441-A445 HydrophobicContact CD2-CB 4.09Å; L441-A445 WeakPolarHBondContact O-CA 3.42Å; L441-A445 WeakPolarHBondContact O-CB 3.27Å; L441-A445 PolarHBondContact O-N 3.22Å; A445-E448 PolarHBondContact O-N 2.83Å; A445-K449 WeakPolarHBondContact O-CB 3.37Å; A445-K449 VanDerWaalsContact O-CG 3.26Å; A445-K449 WeakPolarHBondContact O-CG 3.42Å; A445-K449 PolarHBondContact O-N 3.48Å
446	F	79.2	Confident	76	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-47.3	178	-82.8	-134.4	0	0	0	113.2	L441 I442 K449 E450 A525 Y617	L441-F446 PolarHBondContact O-N 3.21Å; I442-F446 HydrophobicContact CB-CD2 4.48Å; I442-F446 HydrophobicContact CG1-CD2 4.33Å; I442-F446 HydrophobicContact CG1-CE1 4.5Å; I442-F446 HydrophobicContact CG1-CE2 3.92Å; I442-F446 HydrophobicContact CG1-CZ 4.03Å; F446-K449 PolarHBondContact O-N 3.41Å; F446-E450 WeakPolarHBondContact O-CB 3.43Å; F446-E450 PolarHBondContact O-N 2.98Å; F446-A525 HydrophobicContact CZ-CB 4.48Å; F446-Y617 HydrophobicContact CB-CD1 4.28Å; F446-Y617 AromaticContact CD1-CD1 3.64Å; F446-Y617 HydrophobicContact CD1-CD1 3.64Å; F446-Y617 HydrophobicContact CD1-CE1 4.27Å; F446-Y617 HydrophobicContact CD2-CD1 4.39Å; F446-Y617 HydrophobicContact CD2-CE1 4.38Å; F446-Y617 AromaticContact CE1-CD1 3.97Å; F446-Y617 HydrophobicContact CE1-CD1 3.97Å; F446-Y617 HydrophobicContact CE1-CE1 4.29Å; F446-Y617 HydrophobicContact CE2-CE1 4.42Å; F446-Y617 AromaticContact CG-CD1 3.86Å; F446-Y617 HydrophobicContact CG-CD1 3.86Å; F446-Y617 HydrophobicContact CG-CE1 4.31Å; F446-Y617 HydrophobicContact CZ-CD1 4.48Å; F446-Y617 HydrophobicContact CZ-CE1 4.36Å
447	P	76.9	Confident	76.5	Confident	29 Å²	29	53.2 Å²	53.2	19%	0.188	26%	0.264	C	S	.	.	H	α-helix	trans	-67.2	-35.4	176.4	22.9	-31.1	0	0	0	113.1	H444 E450 A451	H444-P447 WeakPolarHBondContact O-CD 3.49Å; H444-P447 WeakPolarHBondContact O-CG 3.45Å; P447-E450 PolarHBondContact O-N 2.87Å; P447-A451 WeakPolarHBondContact O-CB 3.42Å; P447-A451 PolarHBondContact O-N 3.4Å
448	E	80.4	Confident	77	Confident	139 Å²	139	52 Å²	52	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-64	-41.8	174	-71.3	179.1	179.1	0	0	111.7	H444 A445 A451 A452	H444-E448 WeakPolarHBondContact O-CG 3.26Å; A445-E448 PolarHBondContact O-N 2.83Å; E448-A451 PolarHBondContact O-N 3.01Å; E448-A452 WeakPolarHBondContact O-CB 3.42Å; E448-A452 PolarHBondContact O-N 3.42Å
449	K	81.4	Confident	77.3	Confident	62 Å²	62	57 Å²	57	27%	0.27	28%	0.28	S	S	.	.	H	α-helix	trans	-67.6	-41	176.6	-75.3	179.6	175.6	-173	0	112.2	A445 F446 A452 L453 D521 Y617	A445-K449 WeakPolarHBondContact O-CB 3.37Å; A445-K449 VanDerWaalsContact O-CG 3.26Å; A445-K449 WeakPolarHBondContact O-CG 3.42Å; A445-K449 PolarHBondContact O-N 3.48Å; F446-K449 PolarHBondContact O-N 3.41Å; K449-A452 PolarHBondContact O-N 3.46Å; K449-L453 WeakPolarHBondContact O-CB 3.1Å; K449-L453 VanDerWaalsContact O-CG 3.31Å; K449-L453 WeakPolarHBondContact O-CG 3.48Å; K449-L453 PolarHBondContact O-N 2.93Å; K449-D521 WeakPolarHBondContact CD-OD2 3.2Å; K449-D521 IonicContact NZ-OD1 3.8Å; K449-D521 PolarHBondContact NZ-OD1 3.2Å; K449-D521 IonicContact NZ-OD2 2.73Å; K449-D521 PolarHBondContact NZ-OD2 3.09Å; K449-Y617 HydrophobicContact CB-CE1 4.29Å; K449-Y617 HydrophobicContact CD-CE1 4.07Å
450	E	81.1	Confident	77.5	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-51.6	172.9	-174.7	-168.2	161.9	0	0	110.8	F446 P447 A452 L453 V454	F446-E450 WeakPolarHBondContact O-CB 3.43Å; F446-E450 PolarHBondContact O-N 2.98Å; P447-E450 PolarHBondContact O-N 2.87Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 3.16Å; E450-L453 PolarHBondContact O-N 2.97Å; E450-V454 WeakPolarHBondContact O-CG2 3.3Å; E450-V454 PolarHBondContact O-N 3.42Å
451	A	79.4	Confident	77.7	Confident	12 Å²	12	52.4 Å²	52.4	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-39.8	178.6	0	0	0	0	0	112	I381 P447 E448 R455	I381-A451 HydrophobicContact CG2-CB 4.37Å; P447-A451 WeakPolarHBondContact O-CB 3.42Å; P447-A451 PolarHBondContact O-N 3.4Å; E448-A451 PolarHBondContact O-N 3.01Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 WeakPolarHBondContact O-CG 3.46Å; A451-R455 PolarHBondContact O-N 3.26Å
452	A	81.3	Confident	77.7	Confident	44 Å²	44	52.1 Å²	52.1	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-44.4	175.5	0	0	0	0	0	112.2	E448 K449 E450 R455 M456	E448-A452 WeakPolarHBondContact O-CB 3.42Å; E448-A452 PolarHBondContact O-N 3.42Å; K449-A452 PolarHBondContact O-N 3.46Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 3.16Å; A452-R455 PolarHBondContact O-N 3.38Å; A452-M456 WeakPolarHBondContact O-CB 3.5Å; A452-M456 WeakPolarHBondContact O-CG 3.44Å; A452-M456 PolarHBondContact O-N 3.3Å
453	L	80.7	Confident	77.7	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-42.8	177.5	-74.4	167.7	0	0	0	111.9	K449 E450 M456 H457 L514 V610 L613 A614 Y617	K449-L453 WeakPolarHBondContact O-CB 3.1Å; K449-L453 VanDerWaalsContact O-CG 3.31Å; K449-L453 WeakPolarHBondContact O-CG 3.48Å; K449-L453 PolarHBondContact O-N 2.93Å; E450-L453 PolarHBondContact O-N 2.97Å; L453-M456 HydrophobicContact CD2-CE 3.95Å; L453-M456 PolarHBondContact O-N 2.79Å; L453-H457 WeakPolarHBondContact O-CB 3.48Å; L453-H457 PolarHBondContact O-N 3.41Å; L453-L514 HydrophobicContact CD2-CB 4.32Å; L453-L514 HydrophobicContact CD2-CD1 4.08Å; L453-V610 HydrophobicContact CD2-CG1 4.17Å; L453-L613 HydrophobicContact CD1-CB 3.91Å; L453-A614 HydrophobicContact CB-CB 4.1Å; L453-Y617 HydrophobicContact CD1-CD2 3.54Å; L453-Y617 HydrophobicContact CD1-CE2 3.61Å
454	V	81.4	Confident	77.4	Confident	15 Å²	15	57.6 Å²	57.6	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-42.6	175.9	174	0	0	0	0	111	I381 E450 H457 K458 A614	I381-V454 HydrophobicContact CD1-CB 4.44Å; I381-V454 HydrophobicContact CD1-CG2 4.09Å; E450-V454 WeakPolarHBondContact O-CG2 3.3Å; E450-V454 PolarHBondContact O-N 3.42Å; V454-H457 PolarHBondContact O-N 3.2Å; V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.33Å; V454-A614 HydrophobicContact CG2-CB 4.04Å
455	R	81.6	Confident	77	Confident	148 Å²	148	56.8 Å²	56.8	56%	0.558	28%	0.276	S	S	*	.	H	α-helix	trans	-62.1	-45.6	175.1	-73.9	173.8	-168.2	177.9	6.5	111.5	E385 A451 A452 K458 Q459	E385-R455 IonicContact OE1-NH2 3.67Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 WeakPolarHBondContact O-CG 3.46Å; A451-R455 PolarHBondContact O-N 3.26Å; A452-R455 PolarHBondContact O-N 3.38Å; R455-K458 PolarHBondContact O-N 3.36Å; R455-Q459 WeakPolarHBondContact O-CG 3.2Å; R455-Q459 PolarHBondContact O-N 3.08Å
456	M	78.4	Confident	76.4	Confident	54 Å²	54	62.7 Å²	62.7	27%	0.266	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-39.7	177.4	-77.7	-169.5	-60.3	0	0	112.3	A452 L453 K458 Q459 L460 L514	A452-M456 WeakPolarHBondContact O-CB 3.5Å; A452-M456 WeakPolarHBondContact O-CG 3.44Å; A452-M456 PolarHBondContact O-N 3.3Å; L453-M456 HydrophobicContact CD2-CE 3.95Å; L453-M456 PolarHBondContact O-N 2.79Å; M456-K458 VanDerWaalsContact C-N 3.33Å; M456-K458 PolarHBondContact O-N 2.87Å; M456-Q459 PolarHBondContact O-N 3.43Å; M456-L460 WeakPolarHBondContact O-CB 3.49Å; M456-L460 WeakPolarHBondContact O-CG 3.26Å; M456-L460 PolarHBondContact O-N 3.06Å; M456-L514 HydrophobicContact CE-CD1 3.26Å; M456-L514 HydrophobicContact CE-CD2 3.49Å; M456-L514 VanDerWaalsContact CE-CD2 3.49Å; M456-L514 HydrophobicContact CE-CG 3.99Å; M456-L514 HydrophobicContact SD-CD1 3.86Å; M456-L514 HydrophobicContact SD-CD2 4.28Å
457	H	78.1	Confident	75.6	Confident	7 Å²	7	66.5 Å²	66.5	3%	0.032	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-45.1	174.8	-177.6	66.5	0	0	0	111.6	L453 V454 L460 I461 V610 Q611	L453-H457 WeakPolarHBondContact O-CB 3.48Å; L453-H457 PolarHBondContact O-N 3.41Å; V454-H457 PolarHBondContact O-N 3.2Å; H457-L460 PolarHBondContact O-N 3.1Å; H457-I461 WeakPolarHBondContact NE2-CD1 3.47Å; H457-I461 WeakPolarHBondContact O-CG1 3.23Å; H457-I461 PolarHBondContact O-N 2.8Å; H457-V610 HydrophobicContact CB-CG1 3.95Å; H457-Q611 VanDerWaalsContact CE1-CD 3.5Å; H457-Q611 WeakPolarHBondContact CE1-CG 3.31Å; H457-Q611 PolarHBondContact CE1-NE2 3.46Å; H457-Q611 WeakPolarHBondContact NE2-CG 3.37Å; H457-Q611 PolarHBondContact NE2-NE2 3.49Å
458	K	79.6	Confident	74.6	Confident	98 Å²	98	67.1 Å²	67.1	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-44	173.5	-71.3	-178.9	179.5	-176.4	0	112.2	V454 R455 M456 I461 A462	V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.33Å; R455-K458 PolarHBondContact O-N 3.36Å; M456-K458 VanDerWaalsContact C-N 3.33Å; M456-K458 PolarHBondContact O-N 2.87Å; K458-I461 PolarHBondContact O-N 3.36Å; K458-A462 WeakPolarHBondContact O-CB 3.24Å; K458-A462 PolarHBondContact O-N 3.19Å
459	Q	79	Confident	73.3	Confident	112 Å²	112	64.5 Å²	64.5	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-40.7	178.4	-74.7	176.5	-4.2	0	0	112.6	R455 M456 A462 R463	R455-Q459 WeakPolarHBondContact O-CG 3.2Å; R455-Q459 PolarHBondContact O-N 3.08Å; M456-Q459 PolarHBondContact O-N 3.43Å; Q459-A462 PolarHBondContact O-N 2.81Å; Q459-R463 WeakPolarHBondContact O-CB 3.44Å; Q459-R463 WeakPolarHBondContact O-CG 3.39Å; Q459-R463 PolarHBondContact O-N 3.18Å
460	L	72	Confident	72.1	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-53.4	175.7	-73.9	169.2	0	0	0	109.6	M456 H457 A462 R463 W464 L607	M456-L460 WeakPolarHBondContact O-CB 3.49Å; M456-L460 WeakPolarHBondContact O-CG 3.26Å; M456-L460 PolarHBondContact O-N 3.06Å; H457-L460 PolarHBondContact O-N 3.1Å; L460-A462 VanDerWaalsContact C-N 3.27Å; L460-A462 PolarHBondContact O-N 3.34Å; L460-R463 PolarHBondContact O-N 3.48Å; L460-W464 WeakPolarHBondContact O-CB 3.34Å; L460-W464 PolarHBondContact O-N 3.46Å; L460-L607 HydrophobicContact CB-CD2 3.8Å; L460-L607 HydrophobicContact CD1-CD2 4.28Å
461	I	74.9	Confident	70.5	Confident	56 Å²	56	69.5 Å²	69.5	29%	0.287	34%	0.341	S	S	.	.	H	α-helix	trans	-53.5	-46.1	177	-70.4	174	0	0	0	111.3	H457 K458 W464 Q465 L607	H457-I461 WeakPolarHBondContact NE2-CD1 3.47Å; H457-I461 WeakPolarHBondContact O-CG1 3.23Å; H457-I461 PolarHBondContact O-N 2.8Å; K458-I461 PolarHBondContact O-N 3.36Å; I461-W464 PolarHBondContact O-N 3.05Å; I461-Q465 HydrophobicContact CG2-CG 4.27Å; I461-Q465 WeakPolarHBondContact O-CG 3.46Å; I461-Q465 PolarHBondContact O-N 3.45Å; I461-L607 HydrophobicContact CG1-CD2 4.31Å
462	A	74.3	Confident	68.9	Low	53 Å²	53	77.5 Å²	77.5	44%	0.438	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-45.2	-179.6	0	0	0	0	0	112.7	K458 Q459 L460 W464 Q465 K466	K458-A462 WeakPolarHBondContact O-CB 3.24Å; K458-A462 PolarHBondContact O-N 3.19Å; Q459-A462 PolarHBondContact O-N 2.81Å; L460-A462 VanDerWaalsContact C-N 3.27Å; L460-A462 PolarHBondContact O-N 3.34Å; A462-W464 PolarHBondContact O-N 3.29Å; A462-Q465 PolarHBondContact O-N 3.14Å; A462-K466 WeakPolarHBondContact O-CB 3.41Å; A462-K466 PolarHBondContact O-N 3.02Å
463	R	71.4	Confident	67.2	Low	156 Å²	156	81.8 Å²	81.8	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-58.4	-38.2	175.2	-79.2	-178.7	177.1	-174.5	-0.4	111.6	Q459 L460 K467	Q459-R463 WeakPolarHBondContact O-CB 3.44Å; Q459-R463 WeakPolarHBondContact O-CG 3.39Å; Q459-R463 PolarHBondContact O-N 3.18Å; L460-R463 PolarHBondContact O-N 3.48Å; R463-K467 PolarHBondContact O-N 3.04Å
464	W	63.5	Low	65.8	Low	31 Å²	31	89.2 Å²	89.2	12%	0.117	42%	0.422	C	S	.	.	H	α-helix	trans	-76.6	-42.2	-178.7	-76.1	115.8	0	0	0	113.5	L460 I461 A462 K466 K467 A468 M503 I507 R603	L460-W464 WeakPolarHBondContact O-CB 3.34Å; L460-W464 PolarHBondContact O-N 3.46Å; I461-W464 PolarHBondContact O-N 3.05Å; A462-W464 PolarHBondContact O-N 3.29Å; W464-K466 PolarHBondContact O-N 3.31Å; W464-K467 PolarHBondContact O-N 3.01Å; W464-A468 VanDerWaalsContact O-CB 3.29Å; W464-A468 WeakPolarHBondContact O-CB 3.39Å; W464-A468 PolarHBondContact O-N 3.22Å; W464-M503 HydrophobicContact CH2-CG 3.29Å; W464-M503 HydrophobicContact CH2-SD 3.26Å; W464-M503 WeakPolarHBondContact CH2-SD 3.45Å; W464-M503 HydrophobicContact CZ2-CG 4.11Å; W464-M503 HydrophobicContact CZ2-SD 4.48Å; W464-M503 HydrophobicContact CZ3-CG 3.95Å; W464-M503 HydrophobicContact CZ3-SD 3.26Å; W464-M503 WeakPolarHBondContact CZ3-SD 3.42Å; W464-I507 HydrophobicContact CH2-CD1 3.95Å; W464-I507 HydrophobicContact CH2-CG1 4.49Å; W464-I507 HydrophobicContact CZ2-CD1 3.39Å; W464-I507 HydrophobicContact CZ2-CG1 3.6Å; W464-R603 HydrophobicContact CZ2-CG 4.48Å
465	Q	65.3	Low	63.9	Low	114 Å²	114	93.7 Å²	93.7	53%	0.533	44%	0.441	S	S	.	.	H	α-helix	trans	-58.2	-40.4	172.4	-75	176.3	-19.1	0	0	110.8	I461 A462 A468 V469	I461-Q465 HydrophobicContact CG2-CG 4.27Å; I461-Q465 WeakPolarHBondContact O-CG 3.46Å; I461-Q465 PolarHBondContact O-N 3.45Å; A462-Q465 PolarHBondContact O-N 3.14Å; Q465-A468 PolarHBondContact O-N 2.94Å; Q465-V469 WeakPolarHBondContact O-CB 3.34Å; Q465-V469 WeakPolarHBondContact O-CG2 3.37Å; Q465-V469 PolarHBondContact O-N 3.12Å
466	K	65.6	Low	62.1	Low	141 Å²	141	90.6 Å²	90.6	61%	0.613	44%	0.436	S	S	*	.	H	α-helix	trans	-62.2	-49.4	174.3	-170.1	176.9	179	178.6	0	112.2	A462 W464 V469 E470	A462-K466 WeakPolarHBondContact O-CB 3.41Å; A462-K466 PolarHBondContact O-N 3.02Å; W464-K466 PolarHBondContact O-N 3.31Å; K466-V469 PolarHBondContact O-N 3.39Å; K466-E470 WeakPolarHBondContact CE-OE1 3.32Å; K466-E470 WeakPolarHBondContact O-CG 3.3Å; K466-E470 PolarHBondContact O-N 3.39Å
467	K	61.4	Low	60.6	Low	84 Å²	84	90.9 Å²	90.9	37%	0.365	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-40.5	176.6	-82.8	-171	175.5	-175.9	0	113.4	R463 W464 V469 E470 E471 M503	R463-K467 PolarHBondContact O-N 3.04Å; W464-K467 PolarHBondContact O-N 3.01Å; K467-V469 VanDerWaalsContact C-N 3.31Å; K467-V469 PolarHBondContact O-N 2.63Å; K467-E470 CarbonylContact O-C 3.56Å; K467-E470 WeakPolarHBondContact O-CB 3.38Å; K467-E470 PolarHBondContact O-N 3.08Å; K467-E470 VanDerWaalsContact O-N 3.15Å; K467-E471 WeakPolarHBondContact O-CB 3.49Å; K467-E471 PolarHBondContact O-N 3.36Å; K467-M503 HydrophobicContact CD-CE 4.5Å
468	A	55.5	Low	59.3	Low	42 Å²	42	98.8 Å²	98.8	35%	0.347	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-35.3	178.4	0	0	0	0	0	112	W464 Q465 K472	W464-A468 VanDerWaalsContact O-CB 3.29Å; W464-A468 WeakPolarHBondContact O-CB 3.39Å; W464-A468 PolarHBondContact O-N 3.22Å; Q465-A468 PolarHBondContact O-N 2.94Å; A468-K472 WeakPolarHBondContact O-CB 3.25Å; A468-K472 WeakPolarHBondContact O-CG 3.48Å; A468-K472 PolarHBondContact O-N 2.82Å
469	V	54.1	Low	57.7	Low	84 Å²	84	101.1 Å²	101.1	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-69.1	-40.8	171.5	171.4	0	0	0	0	110.8	Q465 K466 K467 E471 N473	Q465-V469 WeakPolarHBondContact O-CB 3.34Å; Q465-V469 WeakPolarHBondContact O-CG2 3.37Å; Q465-V469 PolarHBondContact O-N 3.12Å; K466-V469 PolarHBondContact O-N 3.39Å; K467-V469 VanDerWaalsContact C-N 3.31Å; K467-V469 PolarHBondContact O-N 2.63Å; V469-E471 VanDerWaalsContact C-N 3.35Å; V469-E471 PolarHBondContact O-N 3.49Å; V469-N473 VanDerWaalsContact O-CB 3.31Å; V469-N473 WeakPolarHBondContact O-CB 3.06Å; V469-N473 VanDerWaalsContact O-CG 3.23Å; V469-N473 PolarHBondContact O-N 3.03Å; V469-N473 VanDerWaalsContact O-N 3.09Å; V469-N473 PolarHBondContact O-ND2 3Å
470	E	55.3	Low	56.2	Low	87 Å²	87	100.6 Å²	100.6	41%	0.407	49%	0.49	S	S	.	.	H	α-helix	trans	-65.3	-34.6	175.6	-72.5	171.8	-169.3	0	0	113	K466 K467 K474	K466-E470 WeakPolarHBondContact CE-OE1 3.32Å; K466-E470 WeakPolarHBondContact O-CG 3.3Å; K466-E470 PolarHBondContact O-N 3.39Å; K467-E470 CarbonylContact O-C 3.56Å; K467-E470 WeakPolarHBondContact O-CB 3.38Å; K467-E470 PolarHBondContact O-N 3.08Å; K467-E470 VanDerWaalsContact O-N 3.15Å; E470-K474 WeakPolarHBondContact O-CB 3.24Å; E470-K474 WeakPolarHBondContact O-CG 3.35Å; E470-K474 PolarHBondContact O-N 3.12Å
471	E	48.8	Very low	55	Low	92 Å²	92	103.2 Å²	103.2	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-78.8	-41.6	177.2	-78	177.2	169.2	0	0	112.6	K467 V469 N473 K474 H475 M503	K467-E471 WeakPolarHBondContact O-CB 3.49Å; K467-E471 PolarHBondContact O-N 3.36Å; V469-E471 VanDerWaalsContact C-N 3.35Å; V469-E471 PolarHBondContact O-N 3.49Å; E471-N473 PolarHBondContact O-N 3.29Å; E471-K474 PolarHBondContact O-N 3.12Å; E471-H475 PolarHBondContact O-N 3.31Å; E471-M503 WeakPolarHBondContact OE1-CE 3.36Å
472	K	45.7	Very low	54	Low	180 Å²	180	107.7 Å²	107.7	78%	0.783	53%	0.526	S	S	*	.	H	α-helix	trans	-57.3	-30.9	169.3	-87	-174.4	172.9	-176.4	0	112.4	A468	A468-K472 WeakPolarHBondContact O-CB 3.25Å; A468-K472 WeakPolarHBondContact O-CG 3.48Å; A468-K472 PolarHBondContact O-N 2.82Å
473	N	45.4	Very low	52.4	Low	134 Å²	134	110.7 Å²	110.7	72%	0.717	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.3	177.2	-72.1	-21.4	0	0	0	113.9	V469 E471	V469-N473 VanDerWaalsContact O-CB 3.31Å; V469-N473 WeakPolarHBondContact O-CB 3.06Å; V469-N473 VanDerWaalsContact O-CG 3.23Å; V469-N473 PolarHBondContact O-N 3.03Å; V469-N473 VanDerWaalsContact O-N 3.09Å; V469-N473 PolarHBondContact O-ND2 3Å; E471-N473 PolarHBondContact O-N 3.29Å
474	K	51	Low	51.2	Low	164 Å²	164	107.9 Å²	107.9	71%	0.713	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-14.6	-177.4	-79	177.7	178.7	171.1	0	115.3	E470 E471	E470-K474 WeakPolarHBondContact O-CB 3.24Å; E470-K474 WeakPolarHBondContact O-CG 3.35Å; E470-K474 PolarHBondContact O-N 3.12Å; E471-K474 PolarHBondContact O-N 3.12Å
475	H	42.2	Very low	50.4	Low	109 Å²	109	114.1 Å²	114.1	51%	0.505	56%	0.559	S	S	.	*	S	Bend	trans	-128.6	106.7	-176.1	-82	-74.4	0	0	0	113.2	E471	E471-H475 PolarHBondContact O-N 3.31Å
476	L	43.7	Very low	49.5	Very low	84 Å²	84	116.5 Å²	116.5	44%	0.44	57%	0.57	S	S	.	*			trans	63.8	111.7	156.7	-73	84.9	0	0	0	120.2	E480 L484	L476-E480 WeakPolarHBondContact CA-OE2 3.46Å; L476-E480 HydrophobicContact CB-CB 3.99Å; L476-E480 HydrophobicContact CD2-CB 3.5Å; L476-E480 VanDerWaalsContact CD2-CB 3.5Å; L476-E480 HydrophobicContact CG-CB 3.73Å; L476-L484 HydrophobicContact CD2-CD1 3.45Å; L476-L484 VanDerWaalsContact CD2-CD1 3.45Å
477	S	46.3	Very low	48.1	Very low	59 Å²	59	117.6 Å²	117.6	41%	0.413	57%	0.572	S	S	.	*			trans	-53.4	147.2	162.9	167.5	0	0	0	0	110.2	E479 E480 C481	S477-E479 PolarHBondContact O-N 2.77Å; S477-E479 PolarHBondContact OG-N 3.49Å; S477-E480 PolarHBondContact N-OE2 2.88Å; S477-E480 VanDerWaalsContact N-OE2 3.13Å; S477-E480 PolarHBondContact O-N 3.43Å; S477-C481 PolarHBondContact O-N 3.23Å
478	E	50.2	Low	46.8	Very low	174 Å²	174	121 Å²	121	81%	0.813	59%	0.594	S	S	*	*	H	α-helix	trans	-50	-22.7	172.4	-83.4	-176.6	148.1	0	0	113	K482	E478-K482 PolarHBondContact O-N 3.31Å
479	E	47.3	Very low	46.2	Very low	147 Å²	147	124.2 Å²	124.2	69%	0.687	61%	0.605	S	S	*	*	H	α-helix	trans	-74	-33.1	175	-65	177.1	154.1	0	0	113.2	S477 M483	S477-E479 PolarHBondContact O-N 2.77Å; S477-E479 PolarHBondContact OG-N 3.49Å; E479-M483 WeakPolarHBondContact O-CB 3.46Å; E479-M483 WeakPolarHBondContact O-CG 3.43Å; E479-M483 PolarHBondContact O-N 3.01Å
480	E	47	Very low	45.2	Very low	101 Å²	101	125.8 Å²	125.8	47%	0.472	61%	0.614	S	S	.	*	H	α-helix	trans	-77.9	-30.3	178.9	-65.8	174.8	127.7	0	0	111.4	L476 S477 M483 L484	L476-E480 WeakPolarHBondContact CA-OE2 3.46Å; L476-E480 HydrophobicContact CB-CB 3.99Å; L476-E480 HydrophobicContact CD2-CB 3.5Å; L476-E480 VanDerWaalsContact CD2-CB 3.5Å; L476-E480 HydrophobicContact CG-CB 3.73Å; S477-E480 PolarHBondContact N-OE2 2.88Å; S477-E480 VanDerWaalsContact N-OE2 3.13Å; S477-E480 PolarHBondContact O-N 3.43Å; E480-M483 PolarHBondContact O-N 3.5Å; E480-L484 WeakPolarHBondContact O-CB 3.43Å; E480-L484 VanDerWaalsContact O-CG 3.23Å; E480-L484 WeakPolarHBondContact O-CG 3.28Å; E480-L484 PolarHBondContact O-N 3.15Å
481	C	47.2	Very low	44.5	Very low	75 Å²	75	126.5 Å²	126.5	51%	0.507	63%	0.625	S	S	.	*	H	α-helix	trans	-71.5	-31.5	173.4	-148.6	0	0	0	0	112.4	S477	S477-C481 PolarHBondContact O-N 3.23Å
482	K	52.5	Low	44	Very low	150 Å²	150	129.3 Å²	129.3	65%	0.652	64%	0.643	S	S	*	*	H	α-helix	trans	-73	-39.8	168.9	-83.8	177.4	176.7	171	0	112.5	E478 L484 Q485	E478-K482 PolarHBondContact O-N 3.31Å; K482-L484 VanDerWaalsContact C-N 3.31Å; K482-L484 PolarHBondContact O-N 2.95Å; K482-Q485 PolarHBondContact O-N 3.48Å
483	M	40.3	Very low	43.9	Very low	116 Å²	116	124.7 Å²	124.7	57%	0.571	63%	0.627	S	S	*	*	H	α-helix	trans	-63.8	-33.9	175.8	-76.3	-78.7	-70.1	0	0	112.9	E479 E480 Q485 E486 Y487	E479-M483 WeakPolarHBondContact O-CB 3.46Å; E479-M483 WeakPolarHBondContact O-CG 3.43Å; E479-M483 PolarHBondContact O-N 3.01Å; E480-M483 PolarHBondContact O-N 3.5Å; M483-Q485 VanDerWaalsContact C-N 3.3Å; M483-Q485 PolarHBondContact O-N 3.25Å; M483-E486 PolarHBondContact O-N 3.33Å; M483-Y487 PolarHBondContact O-N 2.88Å
484	L	46.6	Very low	44	Very low	97 Å²	97	122 Å²	122	51%	0.508	62%	0.617	S	S	.	*	H	α-helix	trans	-75.1	-14.6	176	-72.2	170.6	0	0	0	114	L476 E480 K482	L476-L484 HydrophobicContact CD2-CD1 3.45Å; L476-L484 VanDerWaalsContact CD2-CD1 3.45Å; E480-L484 WeakPolarHBondContact O-CB 3.43Å; E480-L484 VanDerWaalsContact O-CG 3.23Å; E480-L484 WeakPolarHBondContact O-CG 3.28Å; E480-L484 PolarHBondContact O-N 3.15Å; K482-L484 VanDerWaalsContact C-N 3.31Å; K482-L484 PolarHBondContact O-N 2.95Å
485	Q	47.8	Very low	43.8	Very low	163 Å²	163	118.1 Å²	118.1	76%	0.762	60%	0.604	S	S	*	*	H	α-helix	trans	-85.4	-16.3	172.7	-74.5	177.7	-4.1	0	0	113.2	K482 M483	K482-Q485 PolarHBondContact O-N 3.48Å; M483-Q485 VanDerWaalsContact C-N 3.3Å; M483-Q485 PolarHBondContact O-N 3.25Å
486	E	45.3	Very low	43.9	Very low	164 Å²	164	117.1 Å²	117.1	77%	0.766	60%	0.601	S	S	*	*	H	α-helix	trans	-107.2	-12.7	-177.8	-81.4	-175.8	157.1	0	0	114.9	M483	M483-E486 PolarHBondContact O-N 3.33Å
487	Y	36.1	Very low	44.1	Very low	164 Å²	164	116 Å²	116	64%	0.643	60%	0.595	S	S	*	*			trans	-123.7	110.3	-178.8	-92.3	-89.4	0	0	0	114	M483 L489	M483-Y487 PolarHBondContact O-N 2.88Å; Y487-L489 VanDerWaalsContact C-N 3.34Å; Y487-L489 HydrophobicContact CD1-CD1 3.62Å; Y487-L489 HydrophobicContact CE1-CD1 4.47Å; Y487-L489 HydrophobicContact CG-CD1 4.47Å; Y487-L489 PolarHBondContact O-N 3.23Å
488	N	35.4	Very low	44.3	Very low	155 Å²	155	118.1 Å²	118.1	83%	0.829	60%	0.596	S	S	*	*			trans	-63.7	79.9	163.8	-85.2	-28.3	0	0	0	111.4
489	L	41.3	Very low	44.3	Very low	109 Å²	109	115.8 Å²	115.8	57%	0.571	58%	0.584	S	S	*	*			trans	-140.9	108.7	168.9	-83.8	105.9	0	0	0	113.3	Y487	Y487-L489 VanDerWaalsContact C-N 3.34Å; Y487-L489 HydrophobicContact CD1-CD1 3.62Å; Y487-L489 HydrophobicContact CE1-CD1 4.47Å; Y487-L489 HydrophobicContact CG-CD1 4.47Å; Y487-L489 PolarHBondContact O-N 3.23Å
490	T	34	Very low	44.5	Very low	117 Å²	117	110.2 Å²	110.2	72%	0.718	56%	0.561	S	S	*	*			trans	15.4	106.1	135.9	57.5	0	0	0	0	117.9
491	T	41.4	Very low	44.9	Very low	103 Å²	103	108.6 Å²	108.6	63%	0.632	55%	0.553	S	S	*	*			trans	-131	90	153.8	-40.9	0	0	0	0	108.6	D493	T491-D493 HydrophobicContact CG2-CB 4.26Å; T491-D493 PolarHBondContact O-N 2.88Å
492	D	37.7	Very low	45.5	Very low	150 Å²	150	113.3 Å²	113.3	80%	0.802	56%	0.56	S	S	*	*			trans	-74.5	59.9	171.7	-69.3	-39.4	0	0	0	110.8	P494	D492-P494 WeakPolarHBondContact O-CD 3.33Å
493	D	44.2	Very low	45.9	Very low	83 Å²	83	108.2 Å²	108.2	44%	0.444	54%	0.539	S	S	.	.			trans	-103.7	95.9	176.3	-156.9	-6	0	0	0	112.3	T491 D495 M496	T491-D493 HydrophobicContact CG2-CB 4.26Å; T491-D493 PolarHBondContact O-N 2.88Å; D493-D495 PolarHBondContact O-N 3.36Å; D493-D495 VanDerWaalsContact O-N 3.07Å; D493-D495 PolarHBondContact OD1-N 3.35Å; D493-M496 PolarHBondContact O-N 3.47Å
494	P	46.1	Very low	47.2	Very low	78 Å²	78	103 Å²	103	51%	0.506	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-10	179	24.9	-33.2	0	0	0	113.9	D492	D492-P494 WeakPolarHBondContact O-CD 3.33Å
495	D	46.5	Very low	48.3	Very low	82 Å²	82	102.9 Å²	102.9	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-77.3	-18.8	179.8	-85.9	-2.1	0	0	0	114.1	D493 K498 K499	D493-D495 PolarHBondContact O-N 3.36Å; D493-D495 VanDerWaalsContact O-N 3.07Å; D493-D495 PolarHBondContact OD1-N 3.35Å; D495-K498 IonicContact OD1-NZ 3.69Å; D495-K499 WeakPolarHBondContact O-CG 3.38Å; D495-K499 PolarHBondContact O-N 3.47Å
496	M	44.5	Very low	49.3	Very low	89 Å²	89	98.6 Å²	98.6	44%	0.438	50%	0.495	S	S	.	.	H	α-helix	trans	-72.6	-40.5	175.4	-73.1	-63.1	177.5	0	0	112.2	D493 K499 S500	D493-M496 PolarHBondContact O-N 3.47Å; M496-K499 PolarHBondContact O-N 3.29Å; M496-S500 PolarHBondContact O-N 2.93Å
497	L	47.7	Very low	50.5	Low	60 Å²	60	91.2 Å²	91.2	31%	0.314	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.1	-79	154.4	0	0	0	111.5	K499 S500 E501 T592 L595	L497-K499 VanDerWaalsContact C-N 3.26Å; L497-K499 PolarHBondContact O-N 2.91Å; L497-S500 PolarHBondContact O-N 3.45Å; L497-S500 PolarHBondContact O-OG 3.06Å; L497-E501 PolarHBondContact O-N 2.69Å; L497-E501 VanDerWaalsContact O-N 3.11Å; L497-T592 HydrophobicContact CD1-CG2 4.31Å; L497-T592 HydrophobicContact CD2-CG2 4.02Å; L497-T592 HydrophobicContact CG-CG2 3.96Å; L497-L595 HydrophobicContact CD2-CD1 3.6Å
498	K	50.9	Low	52.6	Low	103 Å²	103	83.7 Å²	83.7	45%	0.448	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-29	177.3	-70.1	176.6	-170.7	161.2	0	113.8	D495 R502	D495-K498 IonicContact OD1-NZ 3.69Å; K498-R502 WeakPolarHBondContact O-CG 3.34Å; K498-R502 PolarHBondContact O-N 3.32Å
499	K	50.5	Low	54.7	Low	126 Å²	126	83.3 Å²	83.3	55%	0.548	43%	0.425	S	S	.	.	H	α-helix	trans	-73.2	-38.6	176.9	-76	174	-174.7	169.3	0	111.8	D495 M496 L497	D495-K499 WeakPolarHBondContact O-CG 3.38Å; D495-K499 PolarHBondContact O-N 3.47Å; M496-K499 PolarHBondContact O-N 3.29Å; L497-K499 VanDerWaalsContact C-N 3.26Å; L497-K499 PolarHBondContact O-N 2.91Å
500	S	51.5	Low	56.5	Low	29 Å²	29	80.8 Å²	80.8	20%	0.203	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-41.4	173.7	67.2	0	0	0	0	112.1	M496 L497 M503 I504	M496-S500 PolarHBondContact O-N 2.93Å; L497-S500 PolarHBondContact O-N 3.45Å; L497-S500 PolarHBondContact O-OG 3.06Å; S500-M503 WeakPolarHBondContact O-CB 3.25Å; S500-M503 PolarHBondContact O-N 2.8Å; S500-M503 VanDerWaalsContact O-N 3.16Å; S500-I504 PolarHBondContact O-N 2.93Å
501	E	56.2	Low	58.8	Low	67 Å²	67	75.3 Å²	75.3	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-57.5	-53.6	178.2	-78.9	-177.2	158.6	0	0	113.4	L497 M503 I504 E505 R575	L497-E501 PolarHBondContact O-N 2.69Å; L497-E501 VanDerWaalsContact O-N 3.11Å; E501-M503 PolarHBondContact O-N 2.93Å; E501-I504 PolarHBondContact O-N 3.19Å; E501-E505 WeakPolarHBondContact O-CG 3.29Å; E501-E505 PolarHBondContact O-N 3.36Å; E501-R575 VanDerWaalsContact CG-NH1 3.32Å; E501-R575 IonicContact OE1-CZ 2.75Å; E501-R575 IonicContact OE1-NH1 3.94Å; E501-R575 PolarHBondContact OE1-NH1 3.1Å; E501-R575 IonicContact OE1-NH2 3.67Å
502	R	59.3	Low	60.9	Low	174 Å²	174	75.1 Å²	75.1	66%	0.657	37%	0.368	S	S	*	.	H	α-helix	trans	-58.7	-27.3	-179.5	-72.8	178	179.2	-174.2	1.1	112.5	K498 V506	K498-R502 WeakPolarHBondContact O-CG 3.34Å; K498-R502 PolarHBondContact O-N 3.32Å; R502-V506 WeakPolarHBondContact O-CG2 3.36Å; R502-V506 PolarHBondContact O-N 3.38Å
503	M	60.1	Low	63.2	Low	43 Å²	43	70.7 Å²	70.7	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-76.2	-38.4	-174.8	-169.3	179.4	-61.1	0	0	111.8	W464 K467 E471 S500 E501 I507	W464-M503 HydrophobicContact CH2-CG 3.29Å; W464-M503 HydrophobicContact CH2-SD 3.26Å; W464-M503 WeakPolarHBondContact CH2-SD 3.45Å; W464-M503 HydrophobicContact CZ2-CG 4.11Å; W464-M503 HydrophobicContact CZ2-SD 4.48Å; W464-M503 HydrophobicContact CZ3-CG 3.95Å; W464-M503 HydrophobicContact CZ3-SD 3.26Å; W464-M503 WeakPolarHBondContact CZ3-SD 3.42Å; K467-M503 HydrophobicContact CD-CE 4.5Å; E471-M503 WeakPolarHBondContact OE1-CE 3.36Å; S500-M503 WeakPolarHBondContact O-CB 3.25Å; S500-M503 PolarHBondContact O-N 2.8Å; S500-M503 VanDerWaalsContact O-N 3.16Å; E501-M503 PolarHBondContact O-N 2.93Å; M503-I507 WeakPolarHBondContact O-CG1 3.45Å
504	I	69.3	Low	65.2	Low	8 Å²	8	68.6 Å²	68.6	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-82	-33.5	176	-71.1	-179.6	0	0	0	112.5	S500 E501 V506 I507 H508 Y571 D599	S500-I504 PolarHBondContact O-N 2.93Å; E501-I504 PolarHBondContact O-N 3.19Å; I504-V506 PolarHBondContact O-N 2.86Å; I504-I507 HydrophobicContact CG1-CD1 4.24Å; I504-I507 WeakPolarHBondContact O-CA 3.43Å; I504-I507 WeakPolarHBondContact O-CB 3.39Å; I504-I507 PolarHBondContact O-N 3.26Å; I504-H508 PolarHBondContact O-N 2.94Å; I504-Y571 HydrophobicContact CD1-CE2 4.35Å; I504-Y571 WeakPolarHBondContact CD1-OH 3.44Å; I504-Y571 HydrophobicContact CG2-CE1 3.68Å; I504-Y571 WeakPolarHBondContact CG2-OH 3.43Å; I504-D599 HydrophobicContact CD1-CB 3.22Å; I504-D599 HydrophobicContact CG1-CB 4.41Å
505	E	69.5	Low	67.1	Low	94 Å²	94	64.9 Å²	64.9	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-53.1	-43.8	170.7	-73.7	174.4	171.5	0	0	111.1	E501 I507 H508 E509	E501-E505 WeakPolarHBondContact O-CG 3.29Å; E501-E505 PolarHBondContact O-N 3.36Å; E505-I507 VanDerWaalsContact C-N 3.33Å; E505-I507 PolarHBondContact O-N 2.94Å; E505-H508 PolarHBondContact O-N 3.47Å; E505-E509 WeakPolarHBondContact O-CB 3.37Å; E505-E509 VanDerWaalsContact O-CG 3.31Å; E505-E509 WeakPolarHBondContact O-CG 3.41Å; E505-E509 PolarHBondContact O-N 3.38Å
506	V	69	Low	69	Low	73 Å²	73	62.7 Å²	62.7	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-34.7	176.1	172.1	0	0	0	0	112.7	R502 I504 T510	R502-V506 WeakPolarHBondContact O-CG2 3.36Å; R502-V506 PolarHBondContact O-N 3.38Å; I504-V506 PolarHBondContact O-N 2.86Å; V506-T510 WeakPolarHBondContact O-CG2 3.44Å; V506-T510 PolarHBondContact O-N 3.26Å; V506-T510 PolarHBondContact O-OG1 3.45Å
507	I	69.7	Low	71	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-47.3	174.9	-58.4	171.4	0	0	0	109.7	W464 M503 I504 E505 T510 V511 R603 C606	W464-I507 HydrophobicContact CH2-CD1 3.95Å; W464-I507 HydrophobicContact CH2-CG1 4.49Å; W464-I507 HydrophobicContact CZ2-CD1 3.39Å; W464-I507 HydrophobicContact CZ2-CG1 3.6Å; M503-I507 WeakPolarHBondContact O-CG1 3.45Å; I504-I507 HydrophobicContact CG1-CD1 4.24Å; I504-I507 WeakPolarHBondContact O-CA 3.43Å; I504-I507 WeakPolarHBondContact O-CB 3.39Å; I504-I507 PolarHBondContact O-N 3.26Å; E505-I507 VanDerWaalsContact C-N 3.33Å; E505-I507 PolarHBondContact O-N 2.94Å; I507-T510 PolarHBondContact O-N 2.89Å; I507-T510 PolarHBondContact O-OG1 3.06Å; I507-V511 HydrophobicContact CG2-CG2 3.92Å; I507-V511 WeakPolarHBondContact O-CB 3.12Å; I507-V511 VanDerWaalsContact O-CG2 3.31Å; I507-V511 WeakPolarHBondContact O-CG2 3.42Å; I507-V511 PolarHBondContact O-N 3.06Å; I507-R603 HydrophobicContact CD1-CB 4Å; I507-R603 HydrophobicContact CD1-CG 3.94Å; I507-C606 HydrophobicContact CG2-CB 3.78Å
508	H	79.8	Confident	72.8	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-39.3	-177.7	-77.4	-158.5	0	0	0	111.5	I504 E505 T510 V511 W512 Y571 Y572 E602	I504-H508 PolarHBondContact O-N 2.94Å; E505-H508 PolarHBondContact O-N 3.47Å; H508-T510 PolarHBondContact O-N 3.47Å; H508-V511 PolarHBondContact O-N 3Å; H508-W512 WeakPolarHBondContact O-CB 3.2Å; H508-W512 PolarHBondContact O-N 3.36Å; H508-Y571 AromaticContact CE1-CD1 3.43Å; H508-Y571 VanDerWaalsContact CE1-CD1 3.43Å; H508-Y571 WeakPolarHBondContact CE1-CD1 3.33Å; H508-Y571 AromaticContact CE1-CE1 3.83Å; H508-Y572 WeakPolarHBondContact CB-OH 3.21Å; H508-Y572 AromaticContact CE1-CE2 3.81Å; H508-Y572 AromaticContact ND1-CE2 3.1Å; H508-Y572 WeakPolarHBondContact ND1-CE2 3.29Å; H508-Y572 AromaticContact ND1-CZ 3.21Å; H508-Y572 PolarHBondContact ND1-OH 3.32Å; H508-E602 IonicContact NE2-OE1 3.26Å
509	E	79.2	Confident	74.6	Confident	147 Å²	147	57.5 Å²	57.5	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-59.2	-30.8	172.9	-78.6	-171.8	165.1	0	0	112.9	E505 P513	E505-E509 WeakPolarHBondContact O-CB 3.37Å; E505-E509 VanDerWaalsContact O-CG 3.31Å; E505-E509 WeakPolarHBondContact O-CG 3.41Å; E505-E509 PolarHBondContact O-N 3.38Å; E509-P513 WeakPolarHBondContact O-CD 3.24Å; E509-P513 VanDerWaalsContact O-CG 3.3Å; E509-P513 WeakPolarHBondContact O-CG 3.37Å
510	T	80	Confident	76.2	Confident	57 Å²	57	58.8 Å²	58.8	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-88.8	-37.4	178.6	51.7	0	0	0	0	113.1	V506 I507 H508 L514	V506-T510 WeakPolarHBondContact O-CG2 3.44Å; V506-T510 PolarHBondContact O-N 3.26Å; V506-T510 PolarHBondContact O-OG1 3.45Å; I507-T510 PolarHBondContact O-N 2.89Å; I507-T510 PolarHBondContact O-OG1 3.06Å; H508-T510 PolarHBondContact O-N 3.47Å; T510-L514 WeakPolarHBondContact O-CD1 3.47Å; T510-L514 WeakPolarHBondContact O-CG 3.29Å
511	V	82.9	Confident	77.8	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-86.8	-37.6	-174.5	176.9	0	0	0	0	112.4	I507 H508 L514 I515 C606 V610	I507-V511 HydrophobicContact CG2-CG2 3.92Å; I507-V511 WeakPolarHBondContact O-CB 3.12Å; I507-V511 VanDerWaalsContact O-CG2 3.31Å; I507-V511 WeakPolarHBondContact O-CG2 3.42Å; I507-V511 PolarHBondContact O-N 3.06Å; H508-V511 PolarHBondContact O-N 3Å; V511-L514 WeakPolarHBondContact O-CB 3.46Å; V511-L514 PolarHBondContact O-N 2.66Å; V511-L514 VanDerWaalsContact O-N 3.1Å; V511-I515 HydrophobicContact CG1-CD1 3.75Å; V511-I515 HydrophobicContact CG1-CG1 4.1Å; V511-I515 PolarHBondContact O-N 2.91Å; V511-I515 VanDerWaalsContact O-N 3.09Å; V511-C606 HydrophobicContact CG2-CB 4.44Å; V511-V610 HydrophobicContact CG1-CG2 4.19Å; V511-V610 HydrophobicContact CG2-CG2 4.08Å
512	W	84	Confident	79.2	Confident	100 Å²	100	55.2 Å²	55.2	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-44.6	-176.8	176.5	-101.8	0	0	0	114.2	H508 L514 I515 T516 M565 Q568 V569	H508-W512 WeakPolarHBondContact O-CB 3.2Å; H508-W512 PolarHBondContact O-N 3.36Å; W512-L514 PolarHBondContact O-N 2.99Å; W512-I515 PolarHBondContact O-N 3.36Å; W512-T516 WeakPolarHBondContact O-CB 3.25Å; W512-T516 PolarHBondContact O-N 3.16Å; W512-T516 PolarHBondContact O-OG1 3.16Å; W512-M565 HydrophobicContact CH2-CE 3.94Å; W512-M565 HydrophobicContact CZ2-CE 4.12Å; W512-M565 HydrophobicContact CZ3-CB 4.18Å; W512-M565 HydrophobicContact CZ3-CE 4.36Å; W512-M565 HydrophobicContact CZ3-CG 4.47Å; W512-Q568 HydrophobicContact CE3-CB 4.35Å; W512-Q568 HydrophobicContact CZ3-CB 4.18Å; W512-V569 HydrophobicContact CH2-CG2 4.31Å
513	P	86.9	Confident	80.4	Confident	57 Å²	57	51.9 Å²	51.9	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-35.4	175.7	-23.3	35.1	0	0	0	112.1	E509 T516 D517	E509-P513 WeakPolarHBondContact O-CD 3.24Å; E509-P513 VanDerWaalsContact O-CG 3.3Å; E509-P513 WeakPolarHBondContact O-CG 3.37Å; P513-T516 PolarHBondContact O-N 3.41Å; P513-D517 WeakPolarHBondContact O-CB 3.27Å; P513-D517 PolarHBondContact O-N 3.45Å
514	L	85	Confident	81.4	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-68.9	-43.6	-179.9	-56	173.8	0	0	0	112.2	L453 M456 T510 V511 W512 T516 A518	L453-L514 HydrophobicContact CD2-CB 4.32Å; L453-L514 HydrophobicContact CD2-CD1 4.08Å; M456-L514 HydrophobicContact CE-CD1 3.26Å; M456-L514 HydrophobicContact CE-CD2 3.49Å; M456-L514 VanDerWaalsContact CE-CD2 3.49Å; M456-L514 HydrophobicContact CE-CG 3.99Å; M456-L514 HydrophobicContact SD-CD1 3.86Å; M456-L514 HydrophobicContact SD-CD2 4.28Å; T510-L514 WeakPolarHBondContact O-CD1 3.47Å; T510-L514 WeakPolarHBondContact O-CG 3.29Å; V511-L514 WeakPolarHBondContact O-CB 3.46Å; V511-L514 PolarHBondContact O-N 2.66Å; V511-L514 VanDerWaalsContact O-N 3.1Å; W512-L514 PolarHBondContact O-N 2.99Å; L514-T516 VanDerWaalsContact C-N 3.32Å; L514-A518 WeakPolarHBondContact O-CB 3.19Å; L514-A518 PolarHBondContact O-N 3.23Å
515	I	86.1	Confident	82	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-42.4	174.9	-61.1	173.8	0	0	0	109.7	V511 W512 A518 Y519 I561 M564 M565 L613	V511-I515 HydrophobicContact CG1-CD1 3.75Å; V511-I515 HydrophobicContact CG1-CG1 4.1Å; V511-I515 PolarHBondContact O-N 2.91Å; V511-I515 VanDerWaalsContact O-N 3.09Å; W512-I515 PolarHBondContact O-N 3.36Å; I515-A518 PolarHBondContact O-N 3.48Å; I515-Y519 WeakPolarHBondContact O-CB 3.45Å; I515-Y519 PolarHBondContact O-N 3.31Å; I515-I561 HydrophobicContact CG2-CG2 3.96Å; I515-M564 HydrophobicContact CD1-CB 4.48Å; I515-M564 HydrophobicContact CD1-CE 4.34Å; I515-M564 HydrophobicContact CG1-CE 4.32Å; I515-M564 HydrophobicContact CG2-CB 4.34Å; I515-M565 HydrophobicContact CG2-CG 3.4Å; I515-M565 VanDerWaalsContact CG2-CG 3.4Å; I515-M565 HydrophobicContact CG2-SD 4.45Å; I515-L613 HydrophobicContact CG1-CD1 4.02Å
516	T	86.6	Confident	82.5	Confident	37 Å²	37	47.7 Å²	47.7	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-41.8	-179.7	-56.6	0	0	0	0	112.4	W512 P513 L514 Y519 R520	W512-T516 WeakPolarHBondContact O-CB 3.25Å; W512-T516 PolarHBondContact O-N 3.16Å; W512-T516 PolarHBondContact O-OG1 3.16Å; P513-T516 PolarHBondContact O-N 3.41Å; L514-T516 VanDerWaalsContact C-N 3.32Å; T516-Y519 PolarHBondContact O-N 3.04Å; T516-R520 PolarHBondContact O-N 3.48Å; T516-R520 VanDerWaalsContact O-N 3.15Å
517	D	86.3	Confident	82.9	Confident	79 Å²	79	46.9 Å²	46.9	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-41.8	176.1	-77.3	-15.2	0	0	0	111	P513 Y519 R520 D521	P513-D517 WeakPolarHBondContact O-CB 3.27Å; P513-D517 PolarHBondContact O-N 3.45Å; D517-Y519 PolarHBondContact O-N 3.41Å; D517-R520 PolarHBondContact O-N 3.4Å; D517-D521 VanDerWaalsContact O-CG 3.32Å; D517-D521 PolarHBondContact O-N 3.37Å
518	A	86	Confident	83.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-42.8	173.6	0	0	0	0	0	112.1	L514 I515 R520 D521 F522 I561 L613 Y617	L514-A518 WeakPolarHBondContact O-CB 3.19Å; L514-A518 PolarHBondContact O-N 3.23Å; I515-A518 PolarHBondContact O-N 3.48Å; A518-R520 VanDerWaalsContact C-N 3.27Å; A518-R520 PolarHBondContact O-N 2.97Å; A518-D521 PolarHBondContact O-N 3.3Å; A518-F522 HydrophobicContact CB-CD2 4.48Å; A518-F522 WeakPolarHBondContact O-CB 3.46Å; A518-F522 VanDerWaalsContact O-CD2 3.29Å; A518-F522 WeakPolarHBondContact O-CD2 3.38Å; A518-F522 PolarHBondContact O-N 3.38Å; A518-I561 HydrophobicContact CB-CD1 4.22Å; A518-L613 HydrophobicContact CB-CD1 4.5Å; A518-L613 HydrophobicContact CB-CD2 3.68Å; A518-Y617 VanDerWaalsContact CA-OH 3.3Å; A518-Y617 WeakPolarHBondContact CA-OH 3.18Å; A518-Y617 HydrophobicContact CB-CE2 4.14Å
519	Y	88.2	Confident	83	Confident	63 Å²	63	46.8 Å²	46.8	25%	0.247	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-43.1	175.8	178.1	-96.7	0	0	0	111.7	I515 T516 D517 K523 H558 I561 E562 M565	I515-Y519 WeakPolarHBondContact O-CB 3.45Å; I515-Y519 PolarHBondContact O-N 3.31Å; T516-Y519 PolarHBondContact O-N 3.04Å; D517-Y519 PolarHBondContact O-N 3.41Å; Y519-K523 VanDerWaalsContact O-CB 3.24Å; Y519-K523 WeakPolarHBondContact O-CB 3.39Å; Y519-K523 PolarHBondContact O-N 3.44Å; Y519-H558 AromaticContact CD2-CE1 3.44Å; Y519-H558 VanDerWaalsContact CD2-CE1 3.44Å; Y519-H558 WeakPolarHBondContact CD2-CE1 3.29Å; Y519-H558 AromaticContact CD2-ND1 3.82Å; Y519-H558 AromaticContact CE2-CE1 3.1Å; Y519-H558 WeakPolarHBondContact CE2-CE1 3.23Å; Y519-H558 AromaticContact CE2-ND1 3.86Å; Y519-H558 AromaticContact CE2-NE2 3.67Å; Y519-H558 AromaticContact CZ-CE1 3.52Å; Y519-H558 AromaticContact CZ-NE2 3.93Å; Y519-I561 HydrophobicContact CD2-CG2 4.33Å; Y519-E562 HydrophobicContact CE2-CB 4.13Å; Y519-E562 HydrophobicContact CE2-CG 4.36Å; Y519-M565 HydrophobicContact CD1-SD 4.49Å; Y519-M565 HydrophobicContact CD2-SD 4.1Å; Y519-M565 HydrophobicContact CG-SD 3.94Å
520	R	85.5	Confident	82.7	Confident	154 Å²	154	44.6 Å²	44.6	58%	0.581	22%	0.216	S	C	*	.	H	α-helix	trans	-66.3	-46.7	176.9	-170.4	-173.8	-54.1	-129.9	-0.3	112	T516 D517 A518 F522 K523 D524	T516-R520 PolarHBondContact O-N 3.48Å; T516-R520 VanDerWaalsContact O-N 3.15Å; D517-R520 PolarHBondContact O-N 3.4Å; A518-R520 VanDerWaalsContact C-N 3.27Å; A518-R520 PolarHBondContact O-N 2.97Å; R520-F522 PolarHBondContact O-N 3.04Å; R520-K523 WeakPolarHBondContact O-CB 3.2Å; R520-K523 PolarHBondContact O-N 2.72Å; R520-D524 PolarHBondContact O-N 3.32Å
521	D	84.6	Confident	82.2	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-46.4	179.1	-69.4	-24.7	0	0	0	111.6	K449 D517 A518 D524 A525 Y617	K449-D521 WeakPolarHBondContact CD-OD2 3.2Å; K449-D521 IonicContact NZ-OD1 3.8Å; K449-D521 PolarHBondContact NZ-OD1 3.2Å; K449-D521 IonicContact NZ-OD2 2.73Å; K449-D521 PolarHBondContact NZ-OD2 3.09Å; D517-D521 VanDerWaalsContact O-CG 3.32Å; D517-D521 PolarHBondContact O-N 3.37Å; A518-D521 PolarHBondContact O-N 3.3Å; D521-D524 PolarHBondContact O-N 3.38Å; D521-A525 WeakPolarHBondContact O-CB 3.21Å; D521-A525 PolarHBondContact O-N 2.76Å; D521-Y617 HydrophobicContact CB-CE1 4.44Å; D521-Y617 PolarHBondContact OD2-OH 2.9Å
522	F	86	Confident	81.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.5	-30.7	-179.1	-83.2	-80.5	0	0	0	112.6	A518 R520 A525 C526 L554 I557 H558 I561 Y617	A518-F522 HydrophobicContact CB-CD2 4.48Å; A518-F522 WeakPolarHBondContact O-CB 3.46Å; A518-F522 VanDerWaalsContact O-CD2 3.29Å; A518-F522 WeakPolarHBondContact O-CD2 3.38Å; A518-F522 PolarHBondContact O-N 3.38Å; R520-F522 PolarHBondContact O-N 3.04Å; F522-A525 PolarHBondContact O-N 3.42Å; F522-C526 WeakPolarHBondContact O-CB 3.34Å; F522-C526 PolarHBondContact O-N 3.06Å; F522-C526 PolarHBondContact O-SG 2.83Å; F522-L554 HydrophobicContact CD1-CD2 4.38Å; F522-L554 HydrophobicContact CE1-CD2 4.28Å; F522-I557 HydrophobicContact CD1-CB 4.27Å; F522-I557 HydrophobicContact CD1-CG2 3.6Å; F522-I557 HydrophobicContact CD2-CG2 4.36Å; F522-I557 HydrophobicContact CE1-CB 4.28Å; F522-I557 HydrophobicContact CE1-CD1 4.21Å; F522-I557 HydrophobicContact CE1-CG2 3.49Å; F522-I557 VanDerWaalsContact CE1-CG2 3.49Å; F522-I557 HydrophobicContact CE2-CG2 4.28Å; F522-I557 HydrophobicContact CG-CG2 4.05Å; F522-I557 HydrophobicContact CZ-CG2 3.86Å; F522-H558 HydrophobicContact CB-CB 4.38Å; F522-I561 HydrophobicContact CB-CD1 4.09Å; F522-I561 HydrophobicContact CD2-CD1 3.31Å; F522-I561 HydrophobicContact CE2-CD1 3.9Å; F522-I561 HydrophobicContact CG-CD1 3.77Å; F522-Y617 HydrophobicContact CE2-CD1 4.3Å; F522-Y617 HydrophobicContact CE2-CD2 4.44Å; F522-Y617 HydrophobicContact CE2-CE1 4.15Å; F522-Y617 HydrophobicContact CE2-CE2 4.27Å; F522-Y617 HydrophobicContact CE2-CG 4.46Å
523	K	84.6	Confident	80.9	Confident	104 Å²	104	40.2 Å²	40.2	45%	0.452	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-48.7	169	-177.8	177.3	179.2	174	0	111.1	Y519 R520 C526 C527	Y519-K523 VanDerWaalsContact O-CB 3.24Å; Y519-K523 WeakPolarHBondContact O-CB 3.39Å; Y519-K523 PolarHBondContact O-N 3.44Å; R520-K523 WeakPolarHBondContact O-CB 3.2Å; R520-K523 PolarHBondContact O-N 2.72Å; K523-C526 PolarHBondContact O-N 2.95Å; K523-C527 PolarHBondContact O-N 3.32Å; K523-C527 PolarHBondContact O-SG 3.28Å; K523-C527 VanDerWaalsContact O-SG 3.34Å
524	D	80.9	Confident	79.9	Confident	48 Å²	48	41.4 Å²	41.4	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-37.6	178.6	-75.5	-7.2	0	0	0	111.7	Q438 R520 D521 C527 Y528	Q438-D524 PolarHBondContact NE2-OD2 3.42Å; R520-D524 PolarHBondContact O-N 3.32Å; D521-D524 PolarHBondContact O-N 3.38Å; D524-C527 WeakPolarHBondContact O-CB 3.46Å; D524-C527 PolarHBondContact O-N 3.09Å; D524-Y528 WeakPolarHBondContact O-CB 3.49Å; D524-Y528 PolarHBondContact O-N 3.31Å
525	A	80.6	Confident	78.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-37.6	174.2	0	0	0	0	0	112.5	F446 D521 F522 Y528 G529	F446-A525 HydrophobicContact CZ-CB 4.48Å; D521-A525 WeakPolarHBondContact O-CB 3.21Å; D521-A525 PolarHBondContact O-N 2.76Å; F522-A525 PolarHBondContact O-N 3.42Å; A525-Y528 PolarHBondContact O-N 2.85Å; A525-G529 PolarHBondContact O-N 3.32Å
526	C	81.5	Confident	77.8	Confident	9 Å²	9	45 Å²	45	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-42.4	171.9	-72.6	0	0	0	0	111.3	F522 K523 G529 K530	F522-C526 WeakPolarHBondContact O-CB 3.34Å; F522-C526 PolarHBondContact O-N 3.06Å; F522-C526 PolarHBondContact O-SG 2.83Å; K523-C526 PolarHBondContact O-N 2.95Å; C526-G529 PolarHBondContact O-N 3.38Å; C526-K530 WeakPolarHBondContact O-CB 3.24Å; C526-K530 VanDerWaalsContact O-CG 3.28Å; C526-K530 WeakPolarHBondContact O-CG 3.34Å; C526-K530 PolarHBondContact O-N 3.35Å
527	C	75.9	Confident	76.6	Confident	56 Å²	56	50.4 Å²	50.4	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-45	173.9	-69.2	0	0	0	0	111.5	F434 K523 D524 K530 L531	F434-C527 HydrophobicContact CE1-CB 4.15Å; F434-C527 HydrophobicContact CZ-CB 3.96Å; K523-C527 PolarHBondContact O-N 3.32Å; K523-C527 PolarHBondContact O-SG 3.28Å; K523-C527 VanDerWaalsContact O-SG 3.34Å; D524-C527 WeakPolarHBondContact O-CB 3.46Å; D524-C527 PolarHBondContact O-N 3.09Å; C527-K530 PolarHBondContact O-N 3.48Å; C527-L531 WeakPolarHBondContact O-CG 3.34Å; C527-L531 PolarHBondContact O-N 3.33Å
528	Y	76.7	Confident	75.3	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-49.9	175	177	-98.5	0	0	0	111.6	M435 Q438 I442 D524 A525 K530 L531 C532 I624 L628	M435-Y528 HydrophobicContact CB-CD2 4.47Å; M435-Y528 HydrophobicContact CB-CE2 4.15Å; M435-Y528 HydrophobicContact CE-CD2 4.1Å; M435-Y528 HydrophobicContact CE-CE2 3.69Å; M435-Y528 HydrophobicContact CG-CD2 4.46Å; M435-Y528 HydrophobicContact CG-CE2 4.46Å; M435-Y528 WeakPolarHBondContact O-CE2 3.44Å; M435-Y528 HydrophobicContact SD-CD2 3.37Å; M435-Y528 WeakPolarHBondContact SD-CD2 2.93Å; M435-Y528 HydrophobicContact SD-CE2 3.54Å; M435-Y528 VanDerWaalsContact SD-CE2 3.54Å; M435-Y528 HydrophobicContact SD-CG 4.28Å; Q438-Y528 HydrophobicContact CB-CD2 3.6Å; Q438-Y528 HydrophobicContact CB-CE2 4.28Å; Q438-Y528 HydrophobicContact CB-CG 4.04Å; Q438-Y528 HydrophobicContact CG-CD2 4.45Å; I442-Y528 HydrophobicContact CD1-CD1 3.88Å; I442-Y528 HydrophobicContact CD1-CE1 4.12Å; I442-Y528 HydrophobicContact CD1-CG 4.33Å; D524-Y528 WeakPolarHBondContact O-CB 3.49Å; D524-Y528 PolarHBondContact O-N 3.31Å; A525-Y528 PolarHBondContact O-N 2.85Å; Y528-K530 VanDerWaalsContact C-N 3.32Å; Y528-K530 PolarHBondContact O-N 3.3Å; Y528-L531 PolarHBondContact O-N 3.17Å; Y528-C532 VanDerWaalsContact CE1-SG 3.53Å; Y528-C532 VanDerWaalsContact CZ-SG 3.55Å; Y528-C532 PolarHBondContact O-N 3.07Å; Y528-C532 PolarHBondContact O-SG 3Å; Y528-C532 VanDerWaalsContact O-SG 3.38Å; Y528-I624 HydrophobicContact CE1-CG2 4.29Å; Y528-L628 HydrophobicContact CE1-CB 4.34Å
529	G	74.8	Confident	73.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-41.4	177.7	0	0	0	0	0	112.9	A525 C526 C532 L533	A525-G529 PolarHBondContact O-N 3.32Å; C526-G529 PolarHBondContact O-N 3.38Å; G529-C532 WeakPolarHBondContact O-CB 3.32Å; G529-C532 PolarHBondContact O-N 3.42Å; G529-L533 WeakPolarHBondContact O-CG 3.42Å; G529-L533 PolarHBondContact O-N 3.45Å
530	K	72.6	Confident	72.7	Confident	101 Å²	101	61.8 Å²	61.8	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-41.1	175.8	-72.6	174.2	-177.4	-177.8	0	112.8	C526 C527 Y528 C532 L533 T534 V551	C526-K530 WeakPolarHBondContact O-CB 3.24Å; C526-K530 VanDerWaalsContact O-CG 3.28Å; C526-K530 WeakPolarHBondContact O-CG 3.34Å; C526-K530 PolarHBondContact O-N 3.35Å; C527-K530 PolarHBondContact O-N 3.48Å; Y528-K530 VanDerWaalsContact C-N 3.32Å; Y528-K530 PolarHBondContact O-N 3.3Å; K530-C532 VanDerWaalsContact C-N 3.34Å; K530-L533 WeakPolarHBondContact O-CB 3.08Å; K530-L533 PolarHBondContact O-N 3.23Å; K530-T534 PolarHBondContact O-N 3.43Å; K530-V551 HydrophobicContact CG-CG1 4.04Å
531	L	69.5	Low	71.7	Confident	39 Å²	39	58.5 Å²	58.5	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-32.9	174.2	-71.6	171.1	0	0	0	112.3	Q431 F434 M435 C527 Y528 T534 K535	Q431-L531 HydrophobicContact CG-CD2 4.23Å; F434-L531 HydrophobicContact CD1-CD1 3.65Å; F434-L531 HydrophobicContact CE1-CD1 3.88Å; M435-L531 HydrophobicContact CE-CB 4.47Å; M435-L531 HydrophobicContact SD-CB 3.59Å; M435-L531 VanDerWaalsContact SD-CB 3.59Å; M435-L531 HydrophobicContact SD-CD1 4.15Å; C527-L531 WeakPolarHBondContact O-CG 3.34Å; C527-L531 PolarHBondContact O-N 3.33Å; Y528-L531 PolarHBondContact O-N 3.17Å; L531-T534 PolarHBondContact O-OG1 2.86Å; L531-K535 PolarHBondContact O-N 3.45Å
532	C	70.9	Confident	70.9	Confident	9 Å²	9	64.5 Å²	64.5	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-40.3	170.3	-73.2	0	0	0	0	111.5	M435 Y528 G529 K530 T534 K535 L536 L628	M435-C532 HydrophobicContact CE-CB 4.41Å; M435-C532 WeakPolarHBondContact CE-SG 3.27Å; Y528-C532 VanDerWaalsContact CE1-SG 3.53Å; Y528-C532 VanDerWaalsContact CZ-SG 3.55Å; Y528-C532 PolarHBondContact O-N 3.07Å; Y528-C532 PolarHBondContact O-SG 3Å; Y528-C532 VanDerWaalsContact O-SG 3.38Å; G529-C532 WeakPolarHBondContact O-CB 3.32Å; G529-C532 PolarHBondContact O-N 3.42Å; K530-C532 VanDerWaalsContact C-N 3.34Å; C532-T534 PolarHBondContact O-N 2.97Å; C532-K535 PolarHBondContact O-N 2.96Å; C532-L536 WeakPolarHBondContact O-CB 3.34Å; C532-L536 WeakPolarHBondContact O-CG 3.41Å; C532-L536 PolarHBondContact O-N 3Å; C532-L628 HydrophobicContact CB-CD2 3.63Å
533	L	69.9	Low	70.2	Confident	18 Å²	18	66.7 Å²	66.7	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-42.8	178.3	-77.3	175.8	0	0	0	112.4	G529 K530 K535 L536 Y537 Y544 A547 M548 V551	G529-L533 WeakPolarHBondContact O-CG 3.42Å; G529-L533 PolarHBondContact O-N 3.45Å; K530-L533 WeakPolarHBondContact O-CB 3.08Å; K530-L533 PolarHBondContact O-N 3.23Å; L533-K535 VanDerWaalsContact C-N 3.25Å; L533-K535 PolarHBondContact O-N 2.89Å; L533-L536 PolarHBondContact O-N 3.08Å; L533-Y537 WeakPolarHBondContact O-CB 3.33Å; L533-Y537 PolarHBondContact O-N 3.27Å; L533-Y544 HydrophobicContact CB-CE2 4.1Å; L533-Y544 HydrophobicContact CD2-CD2 3.99Å; L533-Y544 HydrophobicContact CD2-CE2 3.86Å; L533-Y544 WeakPolarHBondContact O-CE2 3.48Å; L533-A547 HydrophobicContact CD2-CB 3.57Å; L533-M548 HydrophobicContact CD1-CG 4.12Å; L533-M548 HydrophobicContact CD2-CB 4.48Å; L533-M548 HydrophobicContact CD2-CG 3.79Å; L533-V551 HydrophobicContact CD1-CB 3.86Å; L533-V551 HydrophobicContact CD1-CG1 4.07Å; L533-V551 HydrophobicContact CD1-CG2 3.58Å; L533-V551 HydrophobicContact CG-CG2 3.92Å
534	T	65.9	Low	69.5	Low	82 Å²	82	64.5 Å²	64.5	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-35	177.5	55.4	0	0	0	0	111.7	K530 L531 C532 N538	K530-T534 PolarHBondContact O-N 3.43Å; L531-T534 PolarHBondContact O-OG1 2.86Å; C532-T534 PolarHBondContact O-N 2.97Å; T534-N538 PolarHBondContact O-ND2 3.45Å
535	K	64.6	Low	69.2	Low	80 Å²	80	67.6 Å²	67.6	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-72.8	-48.4	173	-66.6	-173.1	178.2	-169.1	0	112	L531 C532 L533 Y537 N538 F539	L531-K535 PolarHBondContact O-N 3.45Å; C532-K535 PolarHBondContact O-N 2.96Å; L533-K535 VanDerWaalsContact C-N 3.25Å; L533-K535 PolarHBondContact O-N 2.89Å; K535-Y537 VanDerWaalsContact C-N 3.3Å; K535-Y537 PolarHBondContact O-N 3.35Å; K535-N538 WeakPolarHBondContact O-CB 3.33Å; K535-N538 PolarHBondContact O-N 2.78Å; K535-F539 VanDerWaalsContact O-CD2 3.25Å; K535-F539 WeakPolarHBondContact O-CD2 3.45Å; K535-F539 PolarHBondContact O-N 3.28Å
536	L	62.5	Low	69	Low	34 Å²	34	72.3 Å²	72.3	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-37.4	-178	-76.5	169.4	0	0	0	112.7	C532 L533 N538 F539 K540 A547 L628	C532-L536 WeakPolarHBondContact O-CB 3.34Å; C532-L536 WeakPolarHBondContact O-CG 3.41Å; C532-L536 PolarHBondContact O-N 3Å; L533-L536 PolarHBondContact O-N 3.08Å; L536-N538 PolarHBondContact O-N 2.9Å; L536-F539 PolarHBondContact O-N 3.12Å; L536-K540 CarbonylContact O-C 3.38Å; L536-K540 PolarHBondContact O-N 3.13Å; L536-A547 HydrophobicContact CD1-CB 3.55Å; L536-L628 HydrophobicContact CD1-CD2 4.16Å
537	Y	61.5	Low	68.7	Low	149 Å²	149	71.9 Å²	71.9	58%	0.584	35%	0.353	S	S	*	.	H	α-helix	trans	-55.3	-35.8	174.8	-173.2	-100	0	0	0	112.4	L533 K535 Y544	L533-Y537 WeakPolarHBondContact O-CB 3.33Å; L533-Y537 PolarHBondContact O-N 3.27Å; K535-Y537 VanDerWaalsContact C-N 3.3Å; K535-Y537 PolarHBondContact O-N 3.35Å; Y537-Y544 HydrophobicContact CD2-CD1 4.35Å; Y537-Y544 HydrophobicContact CD2-CD2 4.05Å; Y537-Y544 HydrophobicContact CD2-CE1 4.18Å; Y537-Y544 AromaticContact CD2-CE2 3.87Å; Y537-Y544 HydrophobicContact CD2-CE2 3.87Å; Y537-Y544 HydrophobicContact CD2-CG 4.29Å; Y537-Y544 AromaticContact CD2-CZ 3.94Å; Y537-Y544 HydrophobicContact CG-CD2 4.47Å; Y537-Y544 HydrophobicContact CG-CE2 4.24Å
538	N	58	Low	68.9	Low	123 Å²	123	71.2 Å²	71.2	66%	0.658	35%	0.345	S	S	*	.	H	α-helix	trans	-82.1	-29.7	-179.1	-64.5	-26.5	0	0	0	113.3	T534 K535 L536	T534-N538 PolarHBondContact O-ND2 3.45Å; K535-N538 WeakPolarHBondContact O-CB 3.33Å; K535-N538 PolarHBondContact O-N 2.78Å; L536-N538 PolarHBondContact O-N 2.9Å
539	F	57.6	Low	69.2	Low	155 Å²	155	74.5 Å²	74.5	68%	0.68	36%	0.364	S	S	*	.	H	α-helix	trans	-103.6	-40.1	-170.7	-74.7	-77.2	0	0	0	114.5	K535 L536	K535-F539 VanDerWaalsContact O-CD2 3.25Å; K535-F539 WeakPolarHBondContact O-CD2 3.45Å; K535-F539 PolarHBondContact O-N 3.28Å; L536-F539 PolarHBondContact O-N 3.12Å
540	K	62.9	Low	69.5	Low	104 Å²	104	74.9 Å²	74.9	45%	0.452	37%	0.366	S	S	.	.			trans	-148.3	86.7	-176.3	-71.5	-168.2	-177.6	177.7	0	110.6	L536 D542 L543	L536-K540 CarbonylContact O-C 3.38Å; L536-K540 PolarHBondContact O-N 3.13Å; K540-D542 PolarHBondContact O-N 3.37Å; K540-L543 HydrophobicContact CB-CD1 4.14Å; K540-L543 HydrophobicContact CD-CD1 3.62Å; K540-L543 PolarHBondContact O-N 3.12Å
541	P	65	Low	70	Confident	84 Å²	84	70.5 Å²	70.5	55%	0.545	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25.8	179.3	24.5	-33.3	0	0	0	112.9	L543 Y544	P541-L543 VanDerWaalsContact C-N 3.27Å; P541-L543 PolarHBondContact O-N 3.4Å; P541-Y544 WeakPolarHBondContact O-CB 3.3Å; P541-Y544 PolarHBondContact O-N 3.05Å; P541-Y544 VanDerWaalsContact O-N 3.08Å
542	D	67.9	Low	70.7	Confident	148 Å²	148	75.2 Å²	75.2	79%	0.791	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-64.4	-29.9	-179.8	-54.3	-31.8	0	0	0	113.4	K540	K540-D542 PolarHBondContact O-N 3.37Å
543	L	70.1	Confident	71.5	Confident	45 Å²	45	77.8 Å²	77.8	24%	0.236	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-91.5	-5.2	177.3	-79.9	147.7	0	0	0	112.5	K540 P541 A547	K540-L543 HydrophobicContact CB-CD1 4.14Å; K540-L543 HydrophobicContact CD-CD1 3.62Å; K540-L543 PolarHBondContact O-N 3.12Å; P541-L543 VanDerWaalsContact C-N 3.27Å; P541-L543 PolarHBondContact O-N 3.4Å; L543-A547 VanDerWaalsContact O-CB 3.27Å; L543-A547 WeakPolarHBondContact O-CB 3.38Å; L543-A547 PolarHBondContact O-N 3.37Å
544	Y	70.2	Confident	72.2	Confident	59 Å²	59	77 Å²	77	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-41.1	-174.9	-175.1	-101.9	0	0	0	111.8	L533 Y537 P541 A547 M548	L533-Y544 HydrophobicContact CB-CE2 4.1Å; L533-Y544 HydrophobicContact CD2-CD2 3.99Å; L533-Y544 HydrophobicContact CD2-CE2 3.86Å; L533-Y544 WeakPolarHBondContact O-CE2 3.48Å; Y537-Y544 HydrophobicContact CD2-CD1 4.35Å; Y537-Y544 HydrophobicContact CD2-CD2 4.05Å; Y537-Y544 HydrophobicContact CD2-CE1 4.18Å; Y537-Y544 AromaticContact CD2-CE2 3.87Å; Y537-Y544 HydrophobicContact CD2-CE2 3.87Å; Y537-Y544 HydrophobicContact CD2-CG 4.29Å; Y537-Y544 AromaticContact CD2-CZ 3.94Å; Y537-Y544 HydrophobicContact CG-CD2 4.47Å; Y537-Y544 HydrophobicContact CG-CE2 4.24Å; P541-Y544 WeakPolarHBondContact O-CB 3.3Å; P541-Y544 PolarHBondContact O-N 3.05Å; P541-Y544 VanDerWaalsContact O-N 3.08Å; Y544-A547 PolarHBondContact O-N 2.61Å; Y544-M548 HydrophobicContact CD1-CE 3.58Å; Y544-M548 HydrophobicContact CD1-CG 4.13Å; Y544-M548 HydrophobicContact CD1-SD 4.03Å; Y544-M548 HydrophobicContact CE1-CE 3.42Å; Y544-M548 VanDerWaalsContact CE1-CE 3.42Å; Y544-M548 HydrophobicContact CE1-CG 3.78Å; Y544-M548 HydrophobicContact CE1-SD 3.33Å; Y544-M548 WeakPolarHBondContact CE1-SD 3.35Å; Y544-M548 WeakPolarHBondContact O-CB 3.25Å; Y544-M548 WeakPolarHBondContact O-CG 3.22Å; Y544-M548 PolarHBondContact O-N 2.58Å
545	E	75.1	Confident	73.2	Confident	113 Å²	113	74.6 Å²	74.6	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-47.2	176.8	-71.7	-62.9	154.6	0	0	111.8	A547 M548 D549	E545-A547 VanDerWaalsContact C-N 3.34Å; E545-A547 PolarHBondContact O-N 3.39Å; E545-M548 VanDerWaalsContact CD-CE 3.4Å; E545-M548 HydrophobicContact CG-CE 4.46Å; E545-M548 WeakPolarHBondContact O-CB 3.44Å; E545-M548 PolarHBondContact O-N 2.87Å; E545-M548 VanDerWaalsContact OE1-CE 3.3Å; E545-M548 WeakPolarHBondContact OE1-CE 3.45Å; E545-M548 VanDerWaalsContact OE2-CE 3.25Å; E545-M548 WeakPolarHBondContact OE2-CE 3.49Å; E545-D549 PolarHBondContact O-N 3.26Å
546	E	76.3	Confident	74.4	Confident	99 Å²	99	76.5 Å²	76.5	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.2	-66.6	-171.8	-174	0	0	111.8	M548 D549 V550	E546-M548 VanDerWaalsContact C-N 3.34Å; E546-D549 WeakPolarHBondContact O-CB 3.4Å; E546-D549 PolarHBondContact O-N 2.9Å; E546-V550 WeakPolarHBondContact O-CG2 3.23Å; E546-V550 PolarHBondContact O-N 3.35Å; E546-V550 VanDerWaalsContact O-N 3.1Å
547	A	74.3	Confident	75.6	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67.5	-35.2	176	0	0	0	0	0	112.1	L533 L536 L543 Y544 E545 V550 V551 L628	L533-A547 HydrophobicContact CD2-CB 3.57Å; L536-A547 HydrophobicContact CD1-CB 3.55Å; L543-A547 VanDerWaalsContact O-CB 3.27Å; L543-A547 WeakPolarHBondContact O-CB 3.38Å; L543-A547 PolarHBondContact O-N 3.37Å; Y544-A547 PolarHBondContact O-N 2.61Å; E545-A547 VanDerWaalsContact C-N 3.34Å; E545-A547 PolarHBondContact O-N 3.39Å; A547-V550 PolarHBondContact O-N 3.21Å; A547-V551 WeakPolarHBondContact O-CG2 3.45Å; A547-V551 PolarHBondContact O-N 2.88Å; A547-L628 HydrophobicContact CB-CD2 4.19Å
548	M	80	Confident	76.9	Confident	41 Å²	41	69.3 Å²	69.3	20%	0.202	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-40.7	174.5	-82.4	-159.9	-64.3	0	0	111.4	L533 Y544 E545 E546 V550 V551 R552	L533-M548 HydrophobicContact CD1-CG 4.12Å; L533-M548 HydrophobicContact CD2-CB 4.48Å; L533-M548 HydrophobicContact CD2-CG 3.79Å; Y544-M548 HydrophobicContact CD1-CE 3.58Å; Y544-M548 HydrophobicContact CD1-CG 4.13Å; Y544-M548 HydrophobicContact CD1-SD 4.03Å; Y544-M548 HydrophobicContact CE1-CE 3.42Å; Y544-M548 VanDerWaalsContact CE1-CE 3.42Å; Y544-M548 HydrophobicContact CE1-CG 3.78Å; Y544-M548 HydrophobicContact CE1-SD 3.33Å; Y544-M548 WeakPolarHBondContact CE1-SD 3.35Å; Y544-M548 WeakPolarHBondContact O-CB 3.25Å; Y544-M548 WeakPolarHBondContact O-CG 3.22Å; Y544-M548 PolarHBondContact O-N 2.58Å; E545-M548 VanDerWaalsContact CD-CE 3.4Å; E545-M548 HydrophobicContact CG-CE 4.46Å; E545-M548 WeakPolarHBondContact O-CB 3.44Å; E545-M548 PolarHBondContact O-N 2.87Å; E545-M548 VanDerWaalsContact OE1-CE 3.3Å; E545-M548 WeakPolarHBondContact OE1-CE 3.45Å; E545-M548 VanDerWaalsContact OE2-CE 3.25Å; E545-M548 WeakPolarHBondContact OE2-CE 3.49Å; E546-M548 VanDerWaalsContact C-N 3.34Å; M548-V550 VanDerWaalsContact C-N 3.29Å; M548-V550 PolarHBondContact O-N 3.32Å; M548-V551 PolarHBondContact O-N 3.38Å; M548-R552 WeakPolarHBondContact O-CB 3.38Å; M548-R552 WeakPolarHBondContact O-CG 3.28Å; M548-R552 PolarHBondContact O-N 2.83Å
549	D	82.9	Confident	78.4	Confident	82 Å²	82	65.6 Å²	65.6	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-43.2	172.8	-74.7	-22.8	0	0	0	111	E545 E546 R552 H553	E545-D549 PolarHBondContact O-N 3.26Å; E546-D549 WeakPolarHBondContact O-CB 3.4Å; E546-D549 PolarHBondContact O-N 2.9Å; D549-R552 PolarHBondContact O-N 3.49Å; D549-R552 IonicContact OD1-CZ 3.69Å; D549-R552 IonicContact OD1-NH1 2.73Å; D549-R552 PolarHBondContact OD1-NH1 3.45Å; D549-R552 IonicContact OD1-NH2 3.57Å; D549-R552 PolarHBondContact OD1-NH2 3.02Å; D549-H553 WeakPolarHBondContact O-CB 3.35Å; D549-H553 PolarHBondContact O-N 3.26Å
550	V	82.4	Confident	79.9	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-44.7	176	173	0	0	0	0	111.8	E546 A547 M548 H553 L554 H623 C627 L628	E546-V550 WeakPolarHBondContact O-CG2 3.23Å; E546-V550 PolarHBondContact O-N 3.35Å; E546-V550 VanDerWaalsContact O-N 3.1Å; A547-V550 PolarHBondContact O-N 3.21Å; M548-V550 VanDerWaalsContact C-N 3.29Å; M548-V550 PolarHBondContact O-N 3.32Å; V550-H553 PolarHBondContact O-N 3.4Å; V550-L554 HydrophobicContact CG1-CD1 4.22Å; V550-L554 HydrophobicContact CG1-CG 4.48Å; V550-L554 WeakPolarHBondContact O-CG 3.42Å; V550-L554 PolarHBondContact O-N 3.16Å; V550-H623 HydrophobicContact CG1-CB 4Å; V550-H623 HydrophobicContact CG2-CB 4.12Å; V550-C627 HydrophobicContact CG2-CB 4Å; V550-L628 HydrophobicContact CG1-CD1 3.73Å; V550-L628 HydrophobicContact CG1-CG 4.32Å
551	V	83.1	Confident	81.1	Confident	10 Å²	10	54.9 Å²	54.9	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-37.4	178	173.9	0	0	0	0	111.9	K530 L533 A547 M548 H553 L554 T555	K530-V551 HydrophobicContact CG-CG1 4.04Å; L533-V551 HydrophobicContact CD1-CB 3.86Å; L533-V551 HydrophobicContact CD1-CG1 4.07Å; L533-V551 HydrophobicContact CD1-CG2 3.58Å; L533-V551 HydrophobicContact CG-CG2 3.92Å; A547-V551 WeakPolarHBondContact O-CG2 3.45Å; A547-V551 PolarHBondContact O-N 2.88Å; M548-V551 PolarHBondContact O-N 3.38Å; V551-H553 VanDerWaalsContact C-N 3.33Å; V551-L554 PolarHBondContact O-N 3.39Å; V551-T555 WeakPolarHBondContact O-CB 3.47Å; V551-T555 PolarHBondContact O-N 3.1Å; V551-T555 PolarHBondContact O-OG1 3.05Å
552	R	84.7	Confident	82.3	Confident	137 Å²	137	54.1 Å²	54.1	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-43.7	172.1	-79.2	-172.2	-100.1	118.7	0.1	110.9	M548 D549 T555 Q556	M548-R552 WeakPolarHBondContact O-CB 3.38Å; M548-R552 WeakPolarHBondContact O-CG 3.28Å; M548-R552 PolarHBondContact O-N 2.83Å; D549-R552 PolarHBondContact O-N 3.49Å; D549-R552 IonicContact OD1-CZ 3.69Å; D549-R552 IonicContact OD1-NH1 2.73Å; D549-R552 PolarHBondContact OD1-NH1 3.45Å; D549-R552 IonicContact OD1-NH2 3.57Å; D549-R552 PolarHBondContact OD1-NH2 3.02Å; R552-T555 PolarHBondContact O-N 2.76Å; R552-Q556 PolarHBondContact O-N 2.93Å
553	H	86.5	Confident	83.3	Confident	64 Å²	64	50.2 Å²	50.2	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-45.3	176.2	-171.5	65	0	0	0	112.5	D549 V550 V551 T555 Q556 I557 H623	D549-H553 WeakPolarHBondContact O-CB 3.35Å; D549-H553 PolarHBondContact O-N 3.26Å; V550-H553 PolarHBondContact O-N 3.4Å; V551-H553 VanDerWaalsContact C-N 3.33Å; H553-T555 VanDerWaalsContact C-N 3.29Å; H553-T555 PolarHBondContact O-N 2.86Å; H553-Q556 WeakPolarHBondContact O-CB 3.49Å; H553-Q556 PolarHBondContact O-N 3.17Å; H553-I557 WeakPolarHBondContact O-CG1 3.22Å; H553-I557 PolarHBondContact O-N 2.93Å; H553-H623 AromaticContact CD2-CD2 3.67Å; H553-H623 AromaticContact NE2-CD2 3.9Å
554	L	85.5	Confident	84.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-39.5	174.8	-70.7	172.5	0	0	0	112.3	F522 V550 V551 I557 H558 I624 L628	F522-L554 HydrophobicContact CD1-CD2 4.38Å; F522-L554 HydrophobicContact CE1-CD2 4.28Å; V550-L554 HydrophobicContact CG1-CD1 4.22Å; V550-L554 HydrophobicContact CG1-CG 4.48Å; V550-L554 WeakPolarHBondContact O-CG 3.42Å; V550-L554 PolarHBondContact O-N 3.16Å; V551-L554 PolarHBondContact O-N 3.39Å; L554-I557 PolarHBondContact O-N 3.25Å; L554-H558 PolarHBondContact O-N 3.11Å; L554-I624 HydrophobicContact CD1-CD1 4.24Å; L554-I624 HydrophobicContact CD1-CG1 4.06Å; L554-I624 HydrophobicContact CD2-CD1 4.02Å; L554-I624 HydrophobicContact CD2-CG1 4.31Å; L554-L628 HydrophobicContact CD1-CD1 4.47Å
555	T	86.2	Confident	84.9	Confident	32 Å²	32	47.1 Å²	47.1	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-40.4	177.2	-54	0	0	0	0	111.1	V551 R552 H553 I557 H558 L559	V551-T555 WeakPolarHBondContact O-CB 3.47Å; V551-T555 PolarHBondContact O-N 3.1Å; V551-T555 PolarHBondContact O-OG1 3.05Å; R552-T555 PolarHBondContact O-N 2.76Å; H553-T555 VanDerWaalsContact C-N 3.29Å; H553-T555 PolarHBondContact O-N 2.86Å; T555-I557 VanDerWaalsContact C-N 3.33Å; T555-I557 PolarHBondContact O-N 2.97Å; T555-H558 PolarHBondContact O-N 3.18Å; T555-L559 HydrophobicContact CG2-CD1 4.34Å; T555-L559 WeakPolarHBondContact O-CG 3.33Å; T555-L559 PolarHBondContact O-N 3.28Å
556	Q	89.4	Confident	85.5	Confident	121 Å²	121	46.2 Å²	46.2	57%	0.565	23%	0.227	S	C	*	.	H	α-helix	trans	-62.9	-39.9	175.4	-172.3	60.3	54.1	0	0	112	R552 H553 L559 D560	R552-Q556 PolarHBondContact O-N 2.93Å; H553-Q556 WeakPolarHBondContact O-CB 3.49Å; H553-Q556 PolarHBondContact O-N 3.17Å; Q556-L559 PolarHBondContact O-N 3.08Å; Q556-D560 PolarHBondContact O-N 2.86Å
557	I	89.1	Confident	86	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-46.1	173.9	-66.9	170.9	0	0	0	110.5	F522 H553 L554 T555 L559 D560 I561 Y616	F522-I557 HydrophobicContact CD1-CB 4.27Å; F522-I557 HydrophobicContact CD1-CG2 3.6Å; F522-I557 HydrophobicContact CD2-CG2 4.36Å; F522-I557 HydrophobicContact CE1-CB 4.28Å; F522-I557 HydrophobicContact CE1-CD1 4.21Å; F522-I557 HydrophobicContact CE1-CG2 3.49Å; F522-I557 VanDerWaalsContact CE1-CG2 3.49Å; F522-I557 HydrophobicContact CE2-CG2 4.28Å; F522-I557 HydrophobicContact CG-CG2 4.05Å; F522-I557 HydrophobicContact CZ-CG2 3.86Å; H553-I557 WeakPolarHBondContact O-CG1 3.22Å; H553-I557 PolarHBondContact O-N 2.93Å; L554-I557 PolarHBondContact O-N 3.25Å; T555-I557 VanDerWaalsContact C-N 3.33Å; T555-I557 PolarHBondContact O-N 2.97Å; I557-L559 VanDerWaalsContact C-N 3.29Å; I557-L559 PolarHBondContact O-N 2.97Å; I557-D560 PolarHBondContact O-N 3.21Å; I557-D560 VanDerWaalsContact O-N 3.16Å; I557-I561 HydrophobicContact CG2-CD1 3.92Å; I557-I561 HydrophobicContact CG2-CG1 4.46Å; I557-I561 WeakPolarHBondContact O-CG1 3.35Å; I557-I561 PolarHBondContact O-N 3.44Å; I557-Y616 HydrophobicContact CB-CD1 4.36Å; I557-Y616 HydrophobicContact CD1-CD1 3.89Å; I557-Y616 HydrophobicContact CD1-CG 4.43Å; I557-Y616 HydrophobicContact CG1-CD1 3.66Å; I557-Y616 HydrophobicContact CG1-CE1 3.96Å; I557-Y616 HydrophobicContact CG1-CG 4.24Å; I557-Y616 HydrophobicContact CG2-CD1 3.89Å; I557-Y616 HydrophobicContact CG2-CD2 3.86Å; I557-Y616 HydrophobicContact CG2-CE1 4.47Å; I557-Y616 HydrophobicContact CG2-CE2 4.45Å; I557-Y616 HydrophobicContact CG2-CG 3.57Å
558	H	87.8	Confident	86.5	Confident	28 Å²	28	44 Å²	44	13%	0.13	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-41.8	178.9	-177.6	56.4	0	0	0	112.2	Y519 F522 L554 T555 I561 E562	Y519-H558 AromaticContact CD2-CE1 3.44Å; Y519-H558 VanDerWaalsContact CD2-CE1 3.44Å; Y519-H558 WeakPolarHBondContact CD2-CE1 3.29Å; Y519-H558 AromaticContact CD2-ND1 3.82Å; Y519-H558 AromaticContact CE2-CE1 3.1Å; Y519-H558 WeakPolarHBondContact CE2-CE1 3.23Å; Y519-H558 AromaticContact CE2-ND1 3.86Å; Y519-H558 AromaticContact CE2-NE2 3.67Å; Y519-H558 AromaticContact CZ-CE1 3.52Å; Y519-H558 AromaticContact CZ-NE2 3.93Å; F522-H558 HydrophobicContact CB-CB 4.38Å; L554-H558 PolarHBondContact O-N 3.11Å; T555-H558 PolarHBondContact O-N 3.18Å; H558-I561 PolarHBondContact O-N 3.49Å; H558-E562 PolarHBondContact O-N 3.01Å
559	L	88.4	Confident	86.7	Confident	44 Å²	44	45.4 Å²	45.4	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-41.5	174.9	-72.8	164.2	0	0	0	112.3	Y111 T555 Q556 I557 I561 E562 T563	Y111-L559 WeakPolarHBondContact OH-CD2 3.43Å; T555-L559 HydrophobicContact CG2-CD1 4.34Å; T555-L559 WeakPolarHBondContact O-CG 3.33Å; T555-L559 PolarHBondContact O-N 3.28Å; Q556-L559 PolarHBondContact O-N 3.08Å; I557-L559 VanDerWaalsContact C-N 3.29Å; I557-L559 PolarHBondContact O-N 2.97Å; L559-I561 VanDerWaalsContact C-N 3.32Å; L559-I561 PolarHBondContact O-N 3.44Å; L559-E562 WeakPolarHBondContact O-CB 3.48Å; L559-E562 PolarHBondContact O-N 3.21Å; L559-T563 WeakPolarHBondContact O-CG2 3.29Å; L559-T563 PolarHBondContact O-N 2.93Å
560	D	90.1	Very high	86.8	Confident	34 Å²	34	44.1 Å²	44.1	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-42.1	176.2	-163.7	64.4	0	0	0	110.8	Q556 I557 E562 T563 M564 Y616	Q556-D560 PolarHBondContact O-N 2.86Å; I557-D560 PolarHBondContact O-N 3.21Å; I557-D560 VanDerWaalsContact O-N 3.16Å; D560-E562 VanDerWaalsContact C-N 3.32Å; D560-E562 PolarHBondContact O-N 3.45Å; D560-T563 PolarHBondContact O-N 3.44Å; D560-T563 VanDerWaalsContact O-N 3.12Å; D560-T563 PolarHBondContact O-OG1 3.26Å; D560-M564 VanDerWaalsContact O-CG 3.29Å; D560-M564 WeakPolarHBondContact O-CG 3.1Å; D560-M564 PolarHBondContact O-N 3.28Å; D560-Y616 HydrophobicContact CB-CE2 4.42Å; D560-Y616 WeakPolarHBondContact OD2-CE2 3.23Å; D560-Y616 PolarHBondContact OD2-OH 3.01Å
561	I	89	Confident	87	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-39	175.4	-62.8	168.4	0	0	0	111.5	I515 A518 Y519 F522 I557 H558 L559 T563 M564 M565 L613	I515-I561 HydrophobicContact CG2-CG2 3.96Å; A518-I561 HydrophobicContact CB-CD1 4.22Å; Y519-I561 HydrophobicContact CD2-CG2 4.33Å; F522-I561 HydrophobicContact CB-CD1 4.09Å; F522-I561 HydrophobicContact CD2-CD1 3.31Å; F522-I561 HydrophobicContact CE2-CD1 3.9Å; F522-I561 HydrophobicContact CG-CD1 3.77Å; I557-I561 HydrophobicContact CG2-CD1 3.92Å; I557-I561 HydrophobicContact CG2-CG1 4.46Å; I557-I561 WeakPolarHBondContact O-CG1 3.35Å; I557-I561 PolarHBondContact O-N 3.44Å; H558-I561 PolarHBondContact O-N 3.49Å; L559-I561 VanDerWaalsContact C-N 3.32Å; L559-I561 PolarHBondContact O-N 3.44Å; I561-T563 VanDerWaalsContact C-N 3.35Å; I561-M564 WeakPolarHBondContact O-CB 3.4Å; I561-M564 PolarHBondContact O-N 3.5Å; I561-M565 PolarHBondContact O-N 2.83Å; I561-M565 VanDerWaalsContact O-N 3.08Å; I561-L613 HydrophobicContact CD1-CD2 4.14Å; I561-L613 HydrophobicContact CG1-CD2 3.95Å
562	E	88.3	Confident	87.1	Confident	69 Å²	69	48.4 Å²	48.4	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-42.2	173.7	-171.5	176.7	-174.7	0	0	111.5	Y519 H558 L559 D560 M564 M565 N566	Y519-E562 HydrophobicContact CE2-CB 4.13Å; Y519-E562 HydrophobicContact CE2-CG 4.36Å; H558-E562 PolarHBondContact O-N 3.01Å; L559-E562 WeakPolarHBondContact O-CB 3.48Å; L559-E562 PolarHBondContact O-N 3.21Å; D560-E562 VanDerWaalsContact C-N 3.32Å; D560-E562 PolarHBondContact O-N 3.45Å; E562-M564 VanDerWaalsContact C-N 3.31Å; E562-M564 PolarHBondContact O-N 2.99Å; E562-M565 PolarHBondContact O-N 3.48Å; E562-N566 PolarHBondContact O-N 3.23Å; E562-N566 VanDerWaalsContact O-N 3.1Å; E562-N566 PolarHBondContact O-ND2 3.34Å
563	T	90	Very high	87	Confident	66 Å²	66	47.6 Å²	47.6	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-38.1	173.8	64.9	0	0	0	0	112.2	L559 D560 I561 M565 N566 D567	L559-T563 WeakPolarHBondContact O-CG2 3.29Å; L559-T563 PolarHBondContact O-N 2.93Å; D560-T563 PolarHBondContact O-N 3.44Å; D560-T563 VanDerWaalsContact O-N 3.12Å; D560-T563 PolarHBondContact O-OG1 3.26Å; I561-T563 VanDerWaalsContact C-N 3.35Å; T563-M565 VanDerWaalsContact C-N 3.29Å; T563-M565 PolarHBondContact O-N 3.38Å; T563-N566 PolarHBondContact O-N 2.86Å; T563-D567 WeakPolarHBondContact O-CB 3.07Å; T563-D567 PolarHBondContact O-N 2.82Å
564	M	88.3	Confident	86.9	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-32.9	175.4	-64.5	167.9	59.6	0	0	112.8	I515 D560 I561 E562 L613	I515-M564 HydrophobicContact CD1-CB 4.48Å; I515-M564 HydrophobicContact CD1-CE 4.34Å; I515-M564 HydrophobicContact CG1-CE 4.32Å; I515-M564 HydrophobicContact CG2-CB 4.34Å; D560-M564 VanDerWaalsContact O-CG 3.29Å; D560-M564 WeakPolarHBondContact O-CG 3.1Å; D560-M564 PolarHBondContact O-N 3.28Å; I561-M564 WeakPolarHBondContact O-CB 3.4Å; I561-M564 PolarHBondContact O-N 3.5Å; E562-M564 VanDerWaalsContact C-N 3.31Å; E562-M564 PolarHBondContact O-N 2.99Å; M564-L613 HydrophobicContact CE-CD1 4.41Å; M564-L613 HydrophobicContact CE-CD2 4.17Å; M564-L613 HydrophobicContact CE-CG 3.97Å
565	M	85.9	Confident	86.7	Confident	35 Å²	35	50.5 Å²	50.5	17%	0.172	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-45.7	173.1	-67.9	-176	68.8	0	0	111.3	W512 I515 Y519 I561 E562 T563 D567 Q568 V569	W512-M565 HydrophobicContact CH2-CE 3.94Å; W512-M565 HydrophobicContact CZ2-CE 4.12Å; W512-M565 HydrophobicContact CZ3-CB 4.18Å; W512-M565 HydrophobicContact CZ3-CE 4.36Å; W512-M565 HydrophobicContact CZ3-CG 4.47Å; I515-M565 HydrophobicContact CG2-CG 3.4Å; I515-M565 VanDerWaalsContact CG2-CG 3.4Å; I515-M565 HydrophobicContact CG2-SD 4.45Å; Y519-M565 HydrophobicContact CD1-SD 4.49Å; Y519-M565 HydrophobicContact CD2-SD 4.1Å; Y519-M565 HydrophobicContact CG-SD 3.94Å; I561-M565 PolarHBondContact O-N 2.83Å; I561-M565 VanDerWaalsContact O-N 3.08Å; E562-M565 PolarHBondContact O-N 3.48Å; T563-M565 VanDerWaalsContact C-N 3.29Å; T563-M565 PolarHBondContact O-N 3.38Å; M565-D567 VanDerWaalsContact C-N 3.27Å; M565-D567 PolarHBondContact O-N 3.5Å; M565-Q568 PolarHBondContact O-N 2.96Å; M565-V569 PolarHBondContact O-N 3.08Å
566	N	88.2	Confident	86.3	Confident	95 Å²	95	51.5 Å²	51.5	51%	0.508	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-36.3	178.5	-70.2	-34.2	0	0	0	112	E562 T563 Q568 V569 D570	E562-N566 PolarHBondContact O-N 3.23Å; E562-N566 VanDerWaalsContact O-N 3.1Å; E562-N566 PolarHBondContact O-ND2 3.34Å; T563-N566 PolarHBondContact O-N 2.86Å; N566-Q568 VanDerWaalsContact C-N 3.32Å; N566-Q568 PolarHBondContact O-N 2.63Å; N566-V569 PolarHBondContact O-N 2.95Å; N566-V569 VanDerWaalsContact O-N 3.16Å; N566-D570 WeakPolarHBondContact O-CB 3.39Å; N566-D570 PolarHBondContact O-N 3.36Å
567	D	85.9	Confident	85.8	Confident	45 Å²	45	47 Å²	47	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-40.1	176.8	-78.8	-14.2	0	0	0	113.2	T563 M565 D570 Y571 R605	T563-D567 WeakPolarHBondContact O-CB 3.07Å; T563-D567 PolarHBondContact O-N 2.82Å; M565-D567 VanDerWaalsContact C-N 3.27Å; M565-D567 PolarHBondContact O-N 3.5Å; D567-D570 PolarHBondContact O-N 3.2Å; D567-Y571 PolarHBondContact O-N 2.86Å; D567-R605 VanDerWaalsContact CB-CZ 3.42Å; D567-R605 IonicContact OD1-CZ 3.49Å; D567-R605 IonicContact OD1-NH2 3.93Å; D567-R605 PolarHBondContact OD1-NH2 3.4Å; D567-R605 IonicContact OD2-CZ 2.79Å; D567-R605 VanDerWaalsContact OD2-CZ 3.27Å; D567-R605 IonicContact OD2-NE 2.98Å; D567-R605 PolarHBondContact OD2-NE 2.96Å; D567-R605 IonicContact OD2-NH2 3.79Å; D567-R605 PolarHBondContact OD2-NH2 3.34Å
568	Q	83.9	Confident	85	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-71.2	-33.9	176.7	-69.4	-163.1	-16.6	0	0	112.3	W512 M565 N566 Y572	W512-Q568 HydrophobicContact CE3-CB 4.35Å; W512-Q568 HydrophobicContact CZ3-CB 4.18Å; M565-Q568 PolarHBondContact O-N 2.96Å; N566-Q568 VanDerWaalsContact C-N 3.32Å; N566-Q568 PolarHBondContact O-N 2.63Å; Q568-Y572 VanDerWaalsContact O-CD2 3.24Å; Q568-Y572 WeakPolarHBondContact O-CD2 3.47Å; Q568-Y572 PolarHBondContact O-N 3.13Å
569	V	85.2	Confident	84.1	Confident	71 Å²	71	51.5 Å²	51.5	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-44.1	173.9	178.6	0	0	0	0	110.4	W512 M565 N566 Y571 Y572 L573	W512-V569 HydrophobicContact CH2-CG2 4.31Å; M565-V569 PolarHBondContact O-N 3.08Å; N566-V569 PolarHBondContact O-N 2.95Å; N566-V569 VanDerWaalsContact O-N 3.16Å; V569-Y571 VanDerWaalsContact C-N 3.3Å; V569-Y571 PolarHBondContact O-N 3.33Å; V569-Y572 PolarHBondContact O-N 3.37Å; V569-L573 HydrophobicContact CG1-CD1 4.32Å; V569-L573 PolarHBondContact O-N 3.15Å; V569-L573 VanDerWaalsContact O-N 3.16Å
570	D	86	Confident	83.1	Confident	56 Å²	56	54 Å²	54	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-37.2	177.7	-176.4	48.7	0	0	0	112	N566 D567 Y572 L573 K574	N566-D570 WeakPolarHBondContact O-CB 3.39Å; N566-D570 PolarHBondContact O-N 3.36Å; D567-D570 PolarHBondContact O-N 3.2Å; D570-Y572 PolarHBondContact O-N 3.28Å; D570-L573 PolarHBondContact O-N 3.1Å; D570-K574 WeakPolarHBondContact O-CB 3.35Å; D570-K574 WeakPolarHBondContact O-CG 3.36Å; D570-K574 PolarHBondContact O-N 2.99Å; D570-K574 WeakPolarHBondContact OD1-CE 3.47Å; D570-K574 IonicContact OD1-NZ 3.87Å; D570-K574 WeakPolarHBondContact OD2-CE 3.43Å; D570-K574 IonicContact OD2-NZ 2.58Å; D570-K574 PolarHBondContact OD2-NZ 3.17Å
571	Y	86.5	Confident	81.7	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-49.8	172.4	165.8	-94.2	0	0	0	112.3	I504 H508 D567 V569 L573 K574 R575 Y598 D599 E602	I504-Y571 HydrophobicContact CD1-CE2 4.35Å; I504-Y571 WeakPolarHBondContact CD1-OH 3.44Å; I504-Y571 HydrophobicContact CG2-CE1 3.68Å; I504-Y571 WeakPolarHBondContact CG2-OH 3.43Å; H508-Y571 AromaticContact CE1-CD1 3.43Å; H508-Y571 VanDerWaalsContact CE1-CD1 3.43Å; H508-Y571 WeakPolarHBondContact CE1-CD1 3.33Å; H508-Y571 AromaticContact CE1-CE1 3.83Å; D567-Y571 PolarHBondContact O-N 2.86Å; V569-Y571 VanDerWaalsContact C-N 3.3Å; V569-Y571 PolarHBondContact O-N 3.33Å; Y571-L573 VanDerWaalsContact C-N 3.32Å; Y571-L573 PolarHBondContact O-N 3.17Å; Y571-K574 PolarHBondContact O-N 3.47Å; Y571-R575 VanDerWaalsContact O-CB 3.22Å; Y571-R575 WeakPolarHBondContact O-CB 3.26Å; Y571-R575 PolarHBondContact O-N 2.83Å; Y571-R575 WeakPolarHBondContact OH-CD 3.45Å; Y571-R575 PolarHBondContact OH-NE 3.48Å; Y571-Y598 HydrophobicContact CD2-CD1 4.03Å; Y571-Y598 AromaticContact CD2-CE1 3.33Å; Y571-Y598 HydrophobicContact CD2-CE1 3.33Å; Y571-Y598 AromaticContact CD2-CZ 3.87Å; Y571-Y598 AromaticContact CE2-CD1 3.71Å; Y571-Y598 HydrophobicContact CE2-CD1 3.71Å; Y571-Y598 AromaticContact CE2-CE1 3.48Å; Y571-Y598 HydrophobicContact CE2-CE1 3.48Å; Y571-Y598 VanDerWaalsContact CE2-CE1 3.48Å; Y571-Y598 HydrophobicContact CG-CE1 4.37Å; Y571-D599 PolarHBondContact OH-OD1 3.25Å; Y571-E602 HydrophobicContact CD1-CG 4.28Å; Y571-E602 HydrophobicContact CD2-CB 3.54Å; Y571-E602 HydrophobicContact CD2-CG 3.36Å; Y571-E602 HydrophobicContact CE2-CB 3.53Å; Y571-E602 HydrophobicContact CE2-CG 3.67Å; Y571-E602 HydrophobicContact CG-CB 4.38Å; Y571-E602 HydrophobicContact CG-CG 3.69Å
572	Y	83.6	Confident	80	Confident	105 Å²	105	63.1 Å²	63.1	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-37.8	-179.9	-78.1	-68.6	0	0	0	112.3	H508 Q568 V569 D570 A576	H508-Y572 WeakPolarHBondContact CB-OH 3.21Å; H508-Y572 AromaticContact CE1-CE2 3.81Å; H508-Y572 AromaticContact ND1-CE2 3.1Å; H508-Y572 WeakPolarHBondContact ND1-CE2 3.29Å; H508-Y572 AromaticContact ND1-CZ 3.21Å; H508-Y572 PolarHBondContact ND1-OH 3.32Å; Q568-Y572 VanDerWaalsContact O-CD2 3.24Å; Q568-Y572 WeakPolarHBondContact O-CD2 3.47Å; Q568-Y572 PolarHBondContact O-N 3.13Å; V569-Y572 PolarHBondContact O-N 3.37Å; D570-Y572 PolarHBondContact O-N 3.28Å; Y572-A576 VanDerWaalsContact O-CB 3.28Å; Y572-A576 WeakPolarHBondContact O-CB 3.33Å; Y572-A576 PolarHBondContact O-N 2.98Å
573	L	83.4	Confident	78.2	Confident	120 Å²	120	67.9 Å²	67.9	63%	0.628	37%	0.369	S	S	*	.	H	α-helix	trans	-65.7	-46.4	176.8	-69.9	173.1	0	0	0	111.8	V569 D570 Y571 A576 G577	V569-L573 HydrophobicContact CG1-CD1 4.32Å; V569-L573 PolarHBondContact O-N 3.15Å; V569-L573 VanDerWaalsContact O-N 3.16Å; D570-L573 PolarHBondContact O-N 3.1Å; Y571-L573 VanDerWaalsContact C-N 3.32Å; Y571-L573 PolarHBondContact O-N 3.17Å; L573-A576 PolarHBondContact O-N 2.9Å; L573-G577 PolarHBondContact O-N 3.35Å
574	K	84.1	Confident	76.6	Confident	102 Å²	102	66.9 Å²	66.9	44%	0.443	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-42.1	177.9	-77.6	174	176.7	165.2	0	112.2	D570 Y571 G577 M578 Y598	D570-K574 WeakPolarHBondContact O-CB 3.35Å; D570-K574 WeakPolarHBondContact O-CG 3.36Å; D570-K574 PolarHBondContact O-N 2.99Å; D570-K574 WeakPolarHBondContact OD1-CE 3.47Å; D570-K574 IonicContact OD1-NZ 3.87Å; D570-K574 WeakPolarHBondContact OD2-CE 3.43Å; D570-K574 IonicContact OD2-NZ 2.58Å; D570-K574 PolarHBondContact OD2-NZ 3.17Å; Y571-K574 PolarHBondContact O-N 3.47Å; K574-G577 PolarHBondContact O-N 3.38Å; K574-M578 WeakPolarHBondContact O-CG 3.26Å; K574-M578 PolarHBondContact O-N 2.73Å; K574-Y598 HydrophobicContact CB-CE1 4.26Å; K574-Y598 VanDerWaalsContact CB-OH 3.32Å; K574-Y598 WeakPolarHBondContact CB-OH 3.3Å; K574-Y598 WeakPolarHBondContact CD-OH 3.5Å
575	R	81.3	Confident	74.9	Confident	23 Å²	23	76.6 Å²	76.6	9%	0.087	42%	0.418	C	S	.	.	H	α-helix	trans	-62.2	-43.6	175.3	-172.7	178.4	-166.5	-79.9	-7.9	111.6	E501 Y571 G577 M578 V579 L595 Y598 D599	E501-R575 VanDerWaalsContact CG-NH1 3.32Å; E501-R575 IonicContact OE1-CZ 2.75Å; E501-R575 IonicContact OE1-NH1 3.94Å; E501-R575 PolarHBondContact OE1-NH1 3.1Å; E501-R575 IonicContact OE1-NH2 3.67Å; Y571-R575 VanDerWaalsContact O-CB 3.22Å; Y571-R575 WeakPolarHBondContact O-CB 3.26Å; Y571-R575 PolarHBondContact O-N 2.83Å; Y571-R575 WeakPolarHBondContact OH-CD 3.45Å; Y571-R575 PolarHBondContact OH-NE 3.48Å; R575-G577 VanDerWaalsContact C-N 3.3Å; R575-G577 PolarHBondContact O-N 3.47Å; R575-M578 PolarHBondContact O-N 3.16Å; R575-V579 WeakPolarHBondContact O-CG2 3.31Å; R575-V579 PolarHBondContact O-N 3.2Å; R575-V579 VanDerWaalsContact O-N 3.11Å; R575-L595 HydrophobicContact CG-CD2 4.1Å; R575-Y598 HydrophobicContact CB-CE1 4.33Å; R575-D599 IonicContact NE-OD1 3.81Å; R575-D599 PolarHBondContact NE-OD1 2.82Å; R575-D599 IonicContact NH2-OD2 3.99Å
576	A	78.2	Confident	73.5	Confident	53 Å²	53	79 Å²	79	44%	0.438	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-42.5	173.9	0	0	0	0	0	111.3	Y572 L573 V579 T580	Y572-A576 VanDerWaalsContact O-CB 3.28Å; Y572-A576 WeakPolarHBondContact O-CB 3.33Å; Y572-A576 PolarHBondContact O-N 2.98Å; L573-A576 PolarHBondContact O-N 2.9Å; A576-V579 PolarHBondContact O-N 3.02Å; A576-T580 WeakPolarHBondContact O-CG2 3.42Å; A576-T580 PolarHBondContact O-N 3.09Å; A576-T580 PolarHBondContact O-OG1 3.42Å
577	G	77.9	Confident	72.3	Confident	26 Å²	26	79.1 Å²	79.1	27%	0.268	43%	0.43	S	S	.	.	H	α-helix	trans	-56.8	-48.3	173.5	0	0	0	0	0	113.4	L573 K574 R575 V579 T580 D581	L573-G577 PolarHBondContact O-N 3.35Å; K574-G577 PolarHBondContact O-N 3.38Å; R575-G577 VanDerWaalsContact C-N 3.3Å; R575-G577 PolarHBondContact O-N 3.47Å; G577-V579 PolarHBondContact O-N 2.91Å; G577-T580 WeakPolarHBondContact CA-OG1 3.39Å; G577-T580 PolarHBondContact O-N 3.09Å; G577-T580 VanDerWaalsContact O-N 3.08Å; G577-T580 PolarHBondContact O-OG1 3.23Å; G577-D581 PolarHBondContact O-N 3.34Å
578	M	72.7	Confident	71.2	Confident	70 Å²	70	79.7 Å²	79.7	35%	0.345	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-29.1	177.5	-68.1	-178.1	-173.8	0	0	113.1	K574 R575 L595 Y598	K574-M578 WeakPolarHBondContact O-CG 3.26Å; K574-M578 PolarHBondContact O-N 2.73Å; R575-M578 PolarHBondContact O-N 3.16Å; M578-L595 HydrophobicContact CB-CD2 3.91Å; M578-L595 HydrophobicContact SD-CD2 4.24Å; M578-Y598 HydrophobicContact CE-CD1 4.21Å; M578-Y598 HydrophobicContact CE-CD2 3.79Å; M578-Y598 HydrophobicContact CE-CE1 4.49Å; M578-Y598 HydrophobicContact CE-CE2 4.12Å; M578-Y598 HydrophobicContact CE-CG 3.86Å; M578-Y598 HydrophobicContact SD-CD1 4.13Å; M578-Y598 HydrophobicContact SD-CG 4.07Å
579	V	70.2	Confident	70.1	Confident	57 Å²	57	83.7 Å²	83.7	35%	0.345	46%	0.462	S	S	.	.	H	α-helix	trans	-81.8	-29.2	175.7	175.7	0	0	0	0	111.7	R575 A576 G577 L582 L595	R575-V579 WeakPolarHBondContact O-CG2 3.31Å; R575-V579 PolarHBondContact O-N 3.2Å; R575-V579 VanDerWaalsContact O-N 3.11Å; A576-V579 PolarHBondContact O-N 3.02Å; G577-V579 PolarHBondContact O-N 2.91Å; V579-L582 WeakPolarHBondContact O-CD1 3.41Å; V579-L582 WeakPolarHBondContact O-CG 3.38Å; V579-L595 HydrophobicContact CG2-CD1 4.26Å; V579-L595 HydrophobicContact CG2-CD2 4.27Å
580	T	66.6	Low	69.2	Low	96 Å²	96	85.2 Å²	85.2	59%	0.589	46%	0.464	S	S	*	.	H	α-helix	trans	-82.3	-21.6	178.9	51.2	0	0	0	0	114.1	A576 G577 L582	A576-T580 WeakPolarHBondContact O-CG2 3.42Å; A576-T580 PolarHBondContact O-N 3.09Å; A576-T580 PolarHBondContact O-OG1 3.42Å; G577-T580 WeakPolarHBondContact CA-OG1 3.39Å; G577-T580 PolarHBondContact O-N 3.09Å; G577-T580 VanDerWaalsContact O-N 3.08Å; G577-T580 PolarHBondContact O-OG1 3.23Å; T580-L582 PolarHBondContact O-N 2.73Å
581	D	60.3	Low	68.2	Low	113 Å²	113	83.8 Å²	83.8	60%	0.604	46%	0.456	S	S	*	.			trans	-73	29.2	177.1	-70.8	-18.6	0	0	0	113.4	G577 D583 G584	G577-D581 PolarHBondContact O-N 3.34Å; D581-D583 PolarHBondContact O-N 3.46Å; D581-D583 VanDerWaalsContact O-N 3.1Å; D581-G584 PolarHBondContact O-N 2.89Å; D581-G584 VanDerWaalsContact O-N 3.16Å
582	L	54.2	Low	67.3	Low	114 Å²	114	86.2 Å²	86.2	60%	0.597	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.1	176.3	-79.3	160.3	0	0	0	113.8	V579 T580	V579-L582 WeakPolarHBondContact O-CD1 3.41Å; V579-L582 WeakPolarHBondContact O-CG 3.38Å; T580-L582 PolarHBondContact O-N 2.73Å
583	D	50.8	Low	66.4	Low	168 Å²	168	89 Å²	89	90%	0.898	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.8	178.4	-69.5	-27.8	0	0	0	113.6	D581	D581-D583 PolarHBondContact O-N 3.46Å; D581-D583 VanDerWaalsContact O-N 3.1Å
584	G	54.7	Low	65.7	Low	45 Å²	45	85 Å²	85	46%	0.464	47%	0.466	S	S	.	.	S	Bend	trans	-88.8	158.7	178.2	0	0	0	0	0	114.1	D581 M586	D581-G584 PolarHBondContact O-N 2.89Å; D581-G584 VanDerWaalsContact O-N 3.16Å; G584-M586 PolarHBondContact O-N 3.25Å
585	E	53.6	Low	65.2	Low	207 Å²	207	80.4 Å²	80.4	97%	0.967	45%	0.447	S	S	*	.	S	Bend	trans	-57.3	9.4	-176.6	-61.3	-179.9	158.7	0	0	116.7
586	M	56.9	Low	64.7	Low	87 Å²	87	82.1 Å²	82.1	43%	0.429	46%	0.462	S	S	.	.			trans	-88	118.8	-175	-125.1	172.9	72.6	0	0	111.1	G584 Q590 Q591 A594	G584-M586 PolarHBondContact O-N 3.25Å; M586-Q590 HydrophobicContact CE-CB 4.31Å; M586-Q590 HydrophobicContact CG-CB 3.93Å; M586-Q591 HydrophobicContact CB-CG 4.02Å; M586-Q591 VanDerWaalsContact CE-CA 3.43Å; M586-Q591 HydrophobicContact CE-CB 4Å; M586-Q591 HydrophobicContact CE-CG 3.41Å; M586-Q591 VanDerWaalsContact CE-CG 3.41Å; M586-Q591 PolarHBondContact O-NE2 3.46Å; M586-A594 HydrophobicContact CE-CB 4.09Å
587	N	62	Low	64.4	Low	96 Å²	96	86.2 Å²	86.2	51%	0.513	47%	0.47	S	S	.	.			trans	-58.7	144.9	175.2	-80.8	-25.1	0	0	0	110.6	I589 Q590 Q591	N587-I589 PolarHBondContact O-N 3.3Å; N587-Q590 HydrophobicContact CB-CG 4.35Å; N587-Q590 WeakPolarHBondContact O-CA 3.29Å; N587-Q590 WeakPolarHBondContact O-CB 3.42Å; N587-Q590 PolarHBondContact O-N 3.39Å; N587-Q591 PolarHBondContact O-N 2.84Å
588	A	62.8	Low	64.6	Low	58 Å²	58	87.2 Å²	87.2	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-51.5	-32.7	-179.8	0	0	0	0	0	113.7	Q591 T592	A588-Q591 PolarHBondContact O-N 2.94Å; A588-T592 WeakPolarHBondContact O-CG2 3.38Å; A588-T592 PolarHBondContact O-N 3.12Å; A588-T592 PolarHBondContact O-OG1 2.95Å
589	I	61.6	Low	64.9	Low	90 Å²	90	84.5 Å²	84.5	46%	0.462	45%	0.453	S	S	.	.	H	α-helix	trans	-68.1	-39	175.2	-59.7	174.4	0	0	0	111.7	N587 T592 Y593	N587-I589 PolarHBondContact O-N 3.3Å; I589-T592 VanDerWaalsContact CA-OG1 3.29Å; I589-T592 WeakPolarHBondContact CA-OG1 3.31Å; I589-T592 PolarHBondContact O-OG1 3.48Å; I589-Y593 WeakPolarHBondContact O-CB 3.25Å; I589-Y593 PolarHBondContact O-N 3.31Å
590	Q	64.9	Low	65.1	Low	103 Å²	103	85.2 Å²	85.2	48%	0.481	46%	0.455	S	S	.	.	H	α-helix	trans	-68.8	-37.3	175.4	-67.3	174.1	-31.5	0	0	111.3	M586 N587 A594	M586-Q590 HydrophobicContact CE-CB 4.31Å; M586-Q590 HydrophobicContact CG-CB 3.93Å; N587-Q590 HydrophobicContact CB-CG 4.35Å; N587-Q590 WeakPolarHBondContact O-CA 3.29Å; N587-Q590 WeakPolarHBondContact O-CB 3.42Å; N587-Q590 PolarHBondContact O-N 3.39Å; Q590-A594 VanDerWaalsContact O-CB 3.25Å; Q590-A594 WeakPolarHBondContact O-CB 3.49Å; Q590-A594 PolarHBondContact O-N 2.97Å
591	Q	65.4	Low	65.8	Low	26 Å²	26	83.3 Å²	83.3	12%	0.121	45%	0.449	C	S	.	.	H	α-helix	trans	-65.4	-47.8	175.9	-70.6	178.7	-8.8	0	0	111.8	M586 N587 A588 Y593 A594 L595	M586-Q591 HydrophobicContact CB-CG 4.02Å; M586-Q591 VanDerWaalsContact CE-CA 3.43Å; M586-Q591 HydrophobicContact CE-CB 4Å; M586-Q591 HydrophobicContact CE-CG 3.41Å; M586-Q591 VanDerWaalsContact CE-CG 3.41Å; M586-Q591 PolarHBondContact O-NE2 3.46Å; N587-Q591 PolarHBondContact O-N 2.84Å; A588-Q591 PolarHBondContact O-N 2.94Å; Q591-Y593 PolarHBondContact O-N 2.8Å; Q591-A594 PolarHBondContact O-N 3.2Å; Q591-L595 WeakPolarHBondContact O-CB 3.13Å; Q591-L595 WeakPolarHBondContact O-CG 3.21Å; Q591-L595 PolarHBondContact O-N 2.92Å
592	T	67.1	Low	66.9	Low	52 Å²	52	78.3 Å²	78.3	32%	0.319	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-40.4	176.1	45.9	0	0	0	0	112.6	L497 A588 I589 S596	L497-T592 HydrophobicContact CD1-CG2 4.31Å; L497-T592 HydrophobicContact CD2-CG2 4.02Å; L497-T592 HydrophobicContact CG-CG2 3.96Å; A588-T592 WeakPolarHBondContact O-CG2 3.38Å; A588-T592 PolarHBondContact O-N 3.12Å; A588-T592 PolarHBondContact O-OG1 2.95Å; I589-T592 VanDerWaalsContact CA-OG1 3.29Å; I589-T592 WeakPolarHBondContact CA-OG1 3.31Å; I589-T592 PolarHBondContact O-OG1 3.48Å; T592-S596 WeakPolarHBondContact O-CB 3.38Å; T592-S596 PolarHBondContact O-N 3.49Å
593	Y	66.1	Low	68.1	Low	162 Å²	162	75.9 Å²	75.9	64%	0.635	41%	0.405	S	S	*	.	H	α-helix	trans	-65.4	-43.2	173.6	-178	-100.1	0	0	0	112.4	I589 Q591 S596 K597	I589-Y593 WeakPolarHBondContact O-CB 3.25Å; I589-Y593 PolarHBondContact O-N 3.31Å; Q591-Y593 PolarHBondContact O-N 2.8Å; Y593-S596 PolarHBondContact O-N 3.48Å; Y593-K597 WeakPolarHBondContact O-CB 3.45Å; Y593-K597 PolarHBondContact O-N 2.94Å
594	A	68.8	Low	69.6	Low	37 Å²	37	72.8 Å²	72.8	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-43.6	177.4	0	0	0	0	0	111.9	M586 Q590 Q591 K597 Y598	M586-A594 HydrophobicContact CE-CB 4.09Å; Q590-A594 VanDerWaalsContact O-CB 3.25Å; Q590-A594 WeakPolarHBondContact O-CB 3.49Å; Q590-A594 PolarHBondContact O-N 2.97Å; Q591-A594 PolarHBondContact O-N 3.2Å; A594-K597 PolarHBondContact O-N 2.99Å; A594-Y598 WeakPolarHBondContact O-CB 3.48Å; A594-Y598 PolarHBondContact O-N 3.38Å
595	L	73.9	Confident	71.1	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-48.9	173.7	-77.8	164.9	0	0	0	111	L497 R575 M578 V579 Q591 K597 Y598 D599	L497-L595 HydrophobicContact CD2-CD1 3.6Å; R575-L595 HydrophobicContact CG-CD2 4.1Å; M578-L595 HydrophobicContact CB-CD2 3.91Å; M578-L595 HydrophobicContact SD-CD2 4.24Å; V579-L595 HydrophobicContact CG2-CD1 4.26Å; V579-L595 HydrophobicContact CG2-CD2 4.27Å; Q591-L595 WeakPolarHBondContact O-CB 3.13Å; Q591-L595 WeakPolarHBondContact O-CG 3.21Å; Q591-L595 PolarHBondContact O-N 2.92Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.04Å; L595-Y598 WeakPolarHBondContact O-CB 3.38Å; L595-Y598 PolarHBondContact O-N 3.05Å; L595-Y598 VanDerWaalsContact O-N 3.12Å; L595-D599 WeakPolarHBondContact O-CB 3.37Å; L595-D599 PolarHBondContact O-N 3.16Å
596	S	69.6	Low	72.6	Confident	59 Å²	59	64.7 Å²	64.7	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-40.6	177.5	-175	0	0	0	0	112.6	T592 Y593 D600	T592-S596 WeakPolarHBondContact O-CB 3.38Å; T592-S596 PolarHBondContact O-N 3.49Å; Y593-S596 PolarHBondContact O-N 3.48Å; S596-D600 WeakPolarHBondContact O-CB 3.2Å; S596-D600 PolarHBondContact O-N 2.89Å
597	K	73.4	Confident	73.8	Confident	139 Å²	139	62 Å²	62	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-69.2	-37.4	177.7	-175.1	178.4	179	-179.7	0	112.1	Y593 A594 L595 A601	Y593-K597 WeakPolarHBondContact O-CB 3.45Å; Y593-K597 PolarHBondContact O-N 2.94Å; A594-K597 PolarHBondContact O-N 2.99Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.04Å; K597-A601 PolarHBondContact O-N 3.38Å; K597-A601 VanDerWaalsContact O-N 3.16Å
598	Y	80.5	Confident	75	Confident	47 Å²	47	61.5 Å²	61.5	18%	0.184	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-43.7	175.7	-172.3	-112	0	0	0	111.2	Y571 K574 R575 M578 A594 L595 D600 A601 E602	Y571-Y598 HydrophobicContact CD2-CD1 4.03Å; Y571-Y598 AromaticContact CD2-CE1 3.33Å; Y571-Y598 HydrophobicContact CD2-CE1 3.33Å; Y571-Y598 AromaticContact CD2-CZ 3.87Å; Y571-Y598 AromaticContact CE2-CD1 3.71Å; Y571-Y598 HydrophobicContact CE2-CD1 3.71Å; Y571-Y598 AromaticContact CE2-CE1 3.48Å; Y571-Y598 HydrophobicContact CE2-CE1 3.48Å; Y571-Y598 VanDerWaalsContact CE2-CE1 3.48Å; Y571-Y598 HydrophobicContact CG-CE1 4.37Å; K574-Y598 HydrophobicContact CB-CE1 4.26Å; K574-Y598 VanDerWaalsContact CB-OH 3.32Å; K574-Y598 WeakPolarHBondContact CB-OH 3.3Å; K574-Y598 WeakPolarHBondContact CD-OH 3.5Å; R575-Y598 HydrophobicContact CB-CE1 4.33Å; M578-Y598 HydrophobicContact CE-CD1 4.21Å; M578-Y598 HydrophobicContact CE-CD2 3.79Å; M578-Y598 HydrophobicContact CE-CE1 4.49Å; M578-Y598 HydrophobicContact CE-CE2 4.12Å; M578-Y598 HydrophobicContact CE-CG 3.86Å; M578-Y598 HydrophobicContact SD-CD1 4.13Å; M578-Y598 HydrophobicContact SD-CG 4.07Å; A594-Y598 WeakPolarHBondContact O-CB 3.48Å; A594-Y598 PolarHBondContact O-N 3.38Å; L595-Y598 WeakPolarHBondContact O-CB 3.38Å; L595-Y598 PolarHBondContact O-N 3.05Å; L595-Y598 VanDerWaalsContact O-N 3.12Å; Y598-D600 PolarHBondContact O-N 3.17Å; Y598-A601 WeakPolarHBondContact O-CB 3.21Å; Y598-A601 PolarHBondContact O-N 3.28Å; Y598-E602 PolarHBondContact O-N 3.16Å
599	D	79.8	Confident	76.1	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.064	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-43.5	175	-77.1	7.7	0	0	0	111.4	I504 Y571 R575 L595 A601 E602 R603	I504-D599 HydrophobicContact CD1-CB 3.22Å; I504-D599 HydrophobicContact CG1-CB 4.41Å; Y571-D599 PolarHBondContact OH-OD1 3.25Å; R575-D599 IonicContact NE-OD1 3.81Å; R575-D599 PolarHBondContact NE-OD1 2.82Å; R575-D599 IonicContact NH2-OD2 3.99Å; L595-D599 WeakPolarHBondContact O-CB 3.37Å; L595-D599 PolarHBondContact O-N 3.16Å; D599-A601 PolarHBondContact O-N 2.8Å; D599-E602 PolarHBondContact O-N 3.42Å; D599-R603 PolarHBondContact O-N 2.84Å
600	D	74.3	Confident	77.3	Confident	72 Å²	72	55 Å²	55	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-40	174.4	-88.6	-39	0	0	0	113.2	S596 Y598 R603 E604	S596-D600 WeakPolarHBondContact O-CB 3.2Å; S596-D600 PolarHBondContact O-N 2.89Å; Y598-D600 PolarHBondContact O-N 3.17Å; D600-R603 PolarHBondContact O-N 2.97Å; D600-R603 IonicContact OD1-CZ 2.65Å; D600-R603 VanDerWaalsContact OD1-CZ 3.26Å; D600-R603 IonicContact OD1-NE 3.73Å; D600-R603 IonicContact OD1-NH1 2.9Å; D600-R603 IonicContact OD1-NH2 3.84Å; D600-R603 PolarHBondContact OD1-NH2 3.41Å; D600-E604 PolarHBondContact O-N 2.84Å; D600-E604 VanDerWaalsContact O-N 3.16Å
601	A	81.9	Confident	78.2	Confident	56 Å²	56	52 Å²	52	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-40.2	177.6	0	0	0	0	0	111.5	K597 Y598 D599 R603 E604 R605	K597-A601 PolarHBondContact O-N 3.38Å; K597-A601 VanDerWaalsContact O-N 3.16Å; Y598-A601 WeakPolarHBondContact O-CB 3.21Å; Y598-A601 PolarHBondContact O-N 3.28Å; D599-A601 PolarHBondContact O-N 2.8Å; A601-R603 VanDerWaalsContact C-N 3.33Å; A601-R603 PolarHBondContact O-N 2.91Å; A601-E604 PolarHBondContact O-N 3.3Å; A601-R605 PolarHBondContact O-N 3.38Å
602	E	83.4	Confident	79.3	Confident	9 Å²	9	56 Å²	56	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-36	176.1	-172.6	59.7	-151.8	0	0	111.8	H508 Y571 Y598 D599 E604 R605 C606	H508-E602 IonicContact NE2-OE1 3.26Å; Y571-E602 HydrophobicContact CD1-CG 4.28Å; Y571-E602 HydrophobicContact CD2-CB 3.54Å; Y571-E602 HydrophobicContact CD2-CG 3.36Å; Y571-E602 HydrophobicContact CE2-CB 3.53Å; Y571-E602 HydrophobicContact CE2-CG 3.67Å; Y571-E602 HydrophobicContact CG-CB 4.38Å; Y571-E602 HydrophobicContact CG-CG 3.69Å; Y598-E602 PolarHBondContact O-N 3.16Å; D599-E602 PolarHBondContact O-N 3.42Å; E602-E604 PolarHBondContact O-N 3.3Å; E602-R605 WeakPolarHBondContact O-CB 3.36Å; E602-R605 PolarHBondContact O-N 3.35Å; E602-R605 WeakPolarHBondContact OE2-CD 2.95Å; E602-R605 IonicContact OE2-NH1 3.48Å; E602-R605 PolarHBondContact OE2-NH1 3.15Å; E602-C606 WeakPolarHBondContact O-CB 3.47Å; E602-C606 PolarHBondContact O-N 2.82Å
603	R	79.5	Confident	80.3	Confident	62 Å²	62	53.6 Å²	53.6	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-46.8	172.2	176.2	-170.7	65.4	-173.2	-10.9	111.7	W464 I507 D599 D600 A601 R605 C606 L607	W464-R603 HydrophobicContact CZ2-CG 4.48Å; I507-R603 HydrophobicContact CD1-CB 4Å; I507-R603 HydrophobicContact CD1-CG 3.94Å; D599-R603 PolarHBondContact O-N 2.84Å; D600-R603 PolarHBondContact O-N 2.97Å; D600-R603 IonicContact OD1-CZ 2.65Å; D600-R603 VanDerWaalsContact OD1-CZ 3.26Å; D600-R603 IonicContact OD1-NE 3.73Å; D600-R603 IonicContact OD1-NH1 2.9Å; D600-R603 IonicContact OD1-NH2 3.84Å; D600-R603 PolarHBondContact OD1-NH2 3.41Å; A601-R603 VanDerWaalsContact C-N 3.33Å; A601-R603 PolarHBondContact O-N 2.91Å; R603-R605 VanDerWaalsContact C-N 3.27Å; R603-R605 PolarHBondContact O-N 2.86Å; R603-C606 PolarHBondContact O-N 3.07Å; R603-L607 HydrophobicContact CG-CD1 4.38Å; R603-L607 PolarHBondContact O-N 3.22Å
604	E	81.6	Confident	81.2	Confident	103 Å²	103	46.5 Å²	46.5	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-40.1	178.4	-165.6	-171.4	149	0	0	110.9	D600 A601 E602 L607 K608	D600-E604 PolarHBondContact O-N 2.84Å; D600-E604 VanDerWaalsContact O-N 3.16Å; A601-E604 PolarHBondContact O-N 3.3Å; E602-E604 PolarHBondContact O-N 3.3Å; E604-L607 PolarHBondContact O-N 3.12Å; E604-K608 HydrophobicContact CG-CD 4.42Å; E604-K608 WeakPolarHBondContact O-CB 3.31Å; E604-K608 WeakPolarHBondContact O-CG 3.46Å; E604-K608 PolarHBondContact O-N 3.38Å; E604-K608 VanDerWaalsContact OE1-CE 3.29Å; E604-K608 WeakPolarHBondContact OE1-CE 3.46Å; E604-K608 IonicContact OE1-NZ 2.64Å; E604-K608 PolarHBondContact OE1-NZ 3.45Å
605	R	85.8	Confident	82.1	Confident	79 Å²	79	51.1 Å²	51.1	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-49.5	173.2	-164.6	-171.9	-163.6	171.5	10.2	112	D567 A601 E602 R603 L607 K608 S609	D567-R605 VanDerWaalsContact CB-CZ 3.42Å; D567-R605 IonicContact OD1-CZ 3.49Å; D567-R605 IonicContact OD1-NH2 3.93Å; D567-R605 PolarHBondContact OD1-NH2 3.4Å; D567-R605 IonicContact OD2-CZ 2.79Å; D567-R605 VanDerWaalsContact OD2-CZ 3.27Å; D567-R605 IonicContact OD2-NE 2.98Å; D567-R605 PolarHBondContact OD2-NE 2.96Å; D567-R605 IonicContact OD2-NH2 3.79Å; D567-R605 PolarHBondContact OD2-NH2 3.34Å; A601-R605 PolarHBondContact O-N 3.38Å; E602-R605 WeakPolarHBondContact O-CB 3.36Å; E602-R605 PolarHBondContact O-N 3.35Å; E602-R605 WeakPolarHBondContact OE2-CD 2.95Å; E602-R605 IonicContact OE2-NH1 3.48Å; E602-R605 PolarHBondContact OE2-NH1 3.15Å; R603-R605 VanDerWaalsContact C-N 3.27Å; R603-R605 PolarHBondContact O-N 2.86Å; R605-L607 VanDerWaalsContact C-N 3.34Å; R605-L607 PolarHBondContact O-N 3.42Å; R605-K608 WeakPolarHBondContact O-CB 3.36Å; R605-K608 PolarHBondContact O-N 2.96Å; R605-S609 WeakPolarHBondContact O-CB 3.48Å; R605-S609 PolarHBondContact O-N 3.28Å; R605-S609 PolarHBondContact O-OG 2.96Å; R605-S609 VanDerWaalsContact O-OG 3.06Å
606	C	85	Confident	82.8	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-40.5	176.3	-80.2	0	0	0	0	112.6	I507 V511 E602 R603 S609 V610	I507-C606 HydrophobicContact CG2-CB 3.78Å; V511-C606 HydrophobicContact CG2-CB 4.44Å; E602-C606 WeakPolarHBondContact O-CB 3.47Å; E602-C606 PolarHBondContact O-N 2.82Å; R603-C606 PolarHBondContact O-N 3.07Å; C606-S609 WeakPolarHBondContact O-CB 3.33Å; C606-S609 PolarHBondContact O-N 3.48Å; C606-V610 WeakPolarHBondContact O-CG2 3.47Å; C606-V610 PolarHBondContact O-N 2.96Å; C606-V610 VanDerWaalsContact O-N 3.08Å
607	L	83.4	Confident	83.6	Confident	32 Å²	32	50.2 Å²	50.2	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-42.9	175.3	-74.9	171.3	0	0	0	112.1	L460 I461 R603 E604 R605 S609 V610 Q611	L460-L607 HydrophobicContact CB-CD2 3.8Å; L460-L607 HydrophobicContact CD1-CD2 4.28Å; I461-L607 HydrophobicContact CG1-CD2 4.31Å; R603-L607 HydrophobicContact CG-CD1 4.38Å; R603-L607 PolarHBondContact O-N 3.22Å; E604-L607 PolarHBondContact O-N 3.12Å; R605-L607 VanDerWaalsContact C-N 3.34Å; R605-L607 PolarHBondContact O-N 3.42Å; L607-S609 VanDerWaalsContact C-N 3.31Å; L607-S609 PolarHBondContact O-N 2.96Å; L607-V610 PolarHBondContact O-N 3.37Å; L607-Q611 WeakPolarHBondContact O-CG 3.38Å; L607-Q611 PolarHBondContact O-N 3.24Å; L607-Q611 VanDerWaalsContact O-N 3.13Å
608	K	86.1	Confident	84	Confident	84 Å²	84	45.6 Å²	45.6	37%	0.365	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-39.5	173.7	-77.2	171.2	170.5	168.8	0	111.4	E604 R605 Q611 R612	E604-K608 HydrophobicContact CG-CD 4.42Å; E604-K608 WeakPolarHBondContact O-CB 3.31Å; E604-K608 WeakPolarHBondContact O-CG 3.46Å; E604-K608 PolarHBondContact O-N 3.38Å; E604-K608 VanDerWaalsContact OE1-CE 3.29Å; E604-K608 WeakPolarHBondContact OE1-CE 3.46Å; E604-K608 IonicContact OE1-NZ 2.64Å; E604-K608 PolarHBondContact OE1-NZ 3.45Å; R605-K608 WeakPolarHBondContact O-CB 3.36Å; R605-K608 PolarHBondContact O-N 2.96Å; K608-Q611 PolarHBondContact O-N 3.08Å; K608-R612 WeakPolarHBondContact O-CG 3.15Å; K608-R612 PolarHBondContact O-N 3.29Å
609	S	86.3	Confident	84.1	Confident	11 Å²	11	47 Å²	47	8%	0.077	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-49.2	174.5	-72.2	0	0	0	0	112.1	R605 C606 L607 Q611 R612 L613	R605-S609 WeakPolarHBondContact O-CB 3.48Å; R605-S609 PolarHBondContact O-N 3.28Å; R605-S609 PolarHBondContact O-OG 2.96Å; R605-S609 VanDerWaalsContact O-OG 3.06Å; C606-S609 WeakPolarHBondContact O-CB 3.33Å; C606-S609 PolarHBondContact O-N 3.48Å; L607-S609 VanDerWaalsContact C-N 3.31Å; L607-S609 PolarHBondContact O-N 2.96Å; S609-Q611 VanDerWaalsContact C-N 3.35Å; S609-Q611 PolarHBondContact O-N 3.35Å; S609-R612 PolarHBondContact O-N 3.03Å; S609-L613 WeakPolarHBondContact O-CG 3.36Å; S609-L613 PolarHBondContact O-N 3.07Å
610	V	85.7	Confident	84.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-40.4	177.6	177.6	0	0	0	0	111.7	L453 H457 V511 C606 L607 L613 A614	L453-V610 HydrophobicContact CD2-CG1 4.17Å; H457-V610 HydrophobicContact CB-CG1 3.95Å; V511-V610 HydrophobicContact CG1-CG2 4.19Å; V511-V610 HydrophobicContact CG2-CG2 4.08Å; C606-V610 WeakPolarHBondContact O-CG2 3.47Å; C606-V610 PolarHBondContact O-N 2.96Å; C606-V610 VanDerWaalsContact O-N 3.08Å; L607-V610 PolarHBondContact O-N 3.37Å; V610-L613 PolarHBondContact O-N 3.36Å; V610-A614 PolarHBondContact O-N 2.89Å; V610-A614 VanDerWaalsContact O-N 3.15Å
611	Q	85.5	Confident	84.4	Confident	42 Å²	42	44 Å²	44	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-42.2	174.9	-71.1	-179.8	-15.8	0	0	112.5	H457 L607 K608 S609 A614 R615	H457-Q611 VanDerWaalsContact CE1-CD 3.5Å; H457-Q611 WeakPolarHBondContact CE1-CG 3.31Å; H457-Q611 PolarHBondContact CE1-NE2 3.46Å; H457-Q611 WeakPolarHBondContact NE2-CG 3.37Å; H457-Q611 PolarHBondContact NE2-NE2 3.49Å; L607-Q611 WeakPolarHBondContact O-CG 3.38Å; L607-Q611 PolarHBondContact O-N 3.24Å; L607-Q611 VanDerWaalsContact O-N 3.13Å; K608-Q611 PolarHBondContact O-N 3.08Å; S609-Q611 VanDerWaalsContact C-N 3.35Å; S609-Q611 PolarHBondContact O-N 3.35Å; Q611-A614 PolarHBondContact O-N 2.94Å; Q611-R615 WeakPolarHBondContact O-CG 3.46Å; Q611-R615 PolarHBondContact O-N 3.47Å; Q611-R615 VanDerWaalsContact O-N 3.12Å
612	R	87.8	Confident	84.1	Confident	110 Å²	110	44.3 Å²	44.3	42%	0.415	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-45.5	176.8	-75.7	-179.4	-169	-177	5.2	111.2	K608 S609 A614 R615 Y616	K608-R612 WeakPolarHBondContact O-CG 3.15Å; K608-R612 PolarHBondContact O-N 3.29Å; S609-R612 PolarHBondContact O-N 3.03Å; R612-A614 VanDerWaalsContact C-N 3.33Å; R612-A614 PolarHBondContact O-N 3.41Å; R612-R615 WeakPolarHBondContact O-CB 3.34Å; R612-R615 PolarHBondContact O-N 2.8Å; R612-R615 VanDerWaalsContact O-N 3.13Å; R612-Y616 HydrophobicContact CB-CD2 4.5Å; R612-Y616 HydrophobicContact CB-CE2 4.02Å; R612-Y616 VanDerWaalsContact O-CD2 3.29Å; R612-Y616 WeakPolarHBondContact O-CD2 3.42Å; R612-Y616 PolarHBondContact O-N 2.96Å
613	L	88.1	Confident	83.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-47.1	175.5	-71.3	177.7	0	0	0	111.7	L453 I515 A518 I561 M564 S609 V610 R615 Y616 Y617	L453-L613 HydrophobicContact CD1-CB 3.91Å; I515-L613 HydrophobicContact CG1-CD1 4.02Å; A518-L613 HydrophobicContact CB-CD1 4.5Å; A518-L613 HydrophobicContact CB-CD2 3.68Å; I561-L613 HydrophobicContact CD1-CD2 4.14Å; I561-L613 HydrophobicContact CG1-CD2 3.95Å; M564-L613 HydrophobicContact CE-CD1 4.41Å; M564-L613 HydrophobicContact CE-CD2 4.17Å; M564-L613 HydrophobicContact CE-CG 3.97Å; S609-L613 WeakPolarHBondContact O-CG 3.36Å; S609-L613 PolarHBondContact O-N 3.07Å; V610-L613 PolarHBondContact O-N 3.36Å; L613-R615 VanDerWaalsContact C-N 3.33Å; L613-R615 PolarHBondContact O-N 3Å; L613-Y616 PolarHBondContact O-N 3.42Å; L613-Y616 VanDerWaalsContact O-N 3.12Å; L613-Y617 VanDerWaalsContact O-CD2 3.23Å; L613-Y617 WeakPolarHBondContact O-CD2 3.32Å; L613-Y617 PolarHBondContact O-N 2.93Å
614	A	85.3	Confident	83.2	Confident	12 Å²	12	44.3 Å²	44.3	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-43.3	177.5	0	0	0	0	0	112.2	L453 V454 V610 Q611 R612 Y616 Y617 D618	L453-A614 HydrophobicContact CB-CB 4.1Å; V454-A614 HydrophobicContact CG2-CB 4.04Å; V610-A614 PolarHBondContact O-N 2.89Å; V610-A614 VanDerWaalsContact O-N 3.15Å; Q611-A614 PolarHBondContact O-N 2.94Å; R612-A614 VanDerWaalsContact C-N 3.33Å; R612-A614 PolarHBondContact O-N 3.41Å; A614-Y616 VanDerWaalsContact C-N 3.33Å; A614-Y616 PolarHBondContact O-N 3.07Å; A614-Y617 PolarHBondContact O-N 3.39Å; A614-D618 PolarHBondContact O-N 2.69Å
615	R	87.2	Confident	82.6	Confident	135 Å²	135	42 Å²	42	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-38.2	175	-68.3	178.7	-171.6	167.2	4.9	112.2	Q611 R612 L613 D618 Q619	Q611-R615 WeakPolarHBondContact O-CG 3.46Å; Q611-R615 PolarHBondContact O-N 3.47Å; Q611-R615 VanDerWaalsContact O-N 3.12Å; R612-R615 WeakPolarHBondContact O-CB 3.34Å; R612-R615 PolarHBondContact O-N 2.8Å; R612-R615 VanDerWaalsContact O-N 3.13Å; L613-R615 VanDerWaalsContact C-N 3.33Å; L613-R615 PolarHBondContact O-N 3Å; R615-D618 PolarHBondContact O-N 2.88Å; R615-Q619 WeakPolarHBondContact O-CB 3.29Å; R615-Q619 VanDerWaalsContact O-CG 3.27Å; R615-Q619 WeakPolarHBondContact O-CG 3.41Å; R615-Q619 PolarHBondContact O-N 3.11Å
616	Y	88.7	Confident	81.8	Confident	40 Å²	40	45.1 Å²	45.1	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-39.7	178.2	-68.7	-36.6	0	0	0	112.8	I557 D560 R612 L613 A614 S620	I557-Y616 HydrophobicContact CB-CD1 4.36Å; I557-Y616 HydrophobicContact CD1-CD1 3.89Å; I557-Y616 HydrophobicContact CD1-CG 4.43Å; I557-Y616 HydrophobicContact CG1-CD1 3.66Å; I557-Y616 HydrophobicContact CG1-CE1 3.96Å; I557-Y616 HydrophobicContact CG1-CG 4.24Å; I557-Y616 HydrophobicContact CG2-CD1 3.89Å; I557-Y616 HydrophobicContact CG2-CD2 3.86Å; I557-Y616 HydrophobicContact CG2-CE1 4.47Å; I557-Y616 HydrophobicContact CG2-CE2 4.45Å; I557-Y616 HydrophobicContact CG2-CG 3.57Å; D560-Y616 HydrophobicContact CB-CE2 4.42Å; D560-Y616 WeakPolarHBondContact OD2-CE2 3.23Å; D560-Y616 PolarHBondContact OD2-OH 3.01Å; R612-Y616 HydrophobicContact CB-CD2 4.5Å; R612-Y616 HydrophobicContact CB-CE2 4.02Å; R612-Y616 VanDerWaalsContact O-CD2 3.29Å; R612-Y616 WeakPolarHBondContact O-CD2 3.42Å; R612-Y616 PolarHBondContact O-N 2.96Å; L613-Y616 PolarHBondContact O-N 3.42Å; L613-Y616 VanDerWaalsContact O-N 3.12Å; A614-Y616 VanDerWaalsContact C-N 3.33Å; A614-Y616 PolarHBondContact O-N 3.07Å; Y616-S620 WeakPolarHBondContact O-CB 3.22Å; Y616-S620 PolarHBondContact O-N 3.26Å; Y616-S620 PolarHBondContact O-OG 3.16Å
617	Y	85.9	Confident	80.7	Confident	6 Å²	6	45.7 Å²	45.7	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-42.7	173.9	-79.9	-75.6	0	0	0	112.2	F446 K449 L453 A518 D521 F522 L613 A614 S620 R621	F446-Y617 HydrophobicContact CB-CD1 4.28Å; F446-Y617 AromaticContact CD1-CD1 3.64Å; F446-Y617 HydrophobicContact CD1-CD1 3.64Å; F446-Y617 HydrophobicContact CD1-CE1 4.27Å; F446-Y617 HydrophobicContact CD2-CD1 4.39Å; F446-Y617 HydrophobicContact CD2-CE1 4.38Å; F446-Y617 AromaticContact CE1-CD1 3.97Å; F446-Y617 HydrophobicContact CE1-CD1 3.97Å; F446-Y617 HydrophobicContact CE1-CE1 4.29Å; F446-Y617 HydrophobicContact CE2-CE1 4.42Å; F446-Y617 AromaticContact CG-CD1 3.86Å; F446-Y617 HydrophobicContact CG-CD1 3.86Å; F446-Y617 HydrophobicContact CG-CE1 4.31Å; F446-Y617 HydrophobicContact CZ-CD1 4.48Å; F446-Y617 HydrophobicContact CZ-CE1 4.36Å; K449-Y617 HydrophobicContact CB-CE1 4.29Å; K449-Y617 HydrophobicContact CD-CE1 4.07Å; L453-Y617 HydrophobicContact CD1-CD2 3.54Å; L453-Y617 HydrophobicContact CD1-CE2 3.61Å; A518-Y617 VanDerWaalsContact CA-OH 3.3Å; A518-Y617 WeakPolarHBondContact CA-OH 3.18Å; A518-Y617 HydrophobicContact CB-CE2 4.14Å; D521-Y617 HydrophobicContact CB-CE1 4.44Å; D521-Y617 PolarHBondContact OD2-OH 2.9Å; F522-Y617 HydrophobicContact CE2-CD1 4.3Å; F522-Y617 HydrophobicContact CE2-CD2 4.44Å; F522-Y617 HydrophobicContact CE2-CE1 4.15Å; F522-Y617 HydrophobicContact CE2-CE2 4.27Å; F522-Y617 HydrophobicContact CE2-CG 4.46Å; L613-Y617 VanDerWaalsContact O-CD2 3.23Å; L613-Y617 WeakPolarHBondContact O-CD2 3.32Å; L613-Y617 PolarHBondContact O-N 2.93Å; A614-Y617 PolarHBondContact O-N 3.39Å; Y617-S620 PolarHBondContact O-OG 3.33Å; Y617-S620 VanDerWaalsContact O-OG 3.1Å; Y617-R621 VanDerWaalsContact O-CB 3.25Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 2.75Å
618	D	82.1	Confident	79.5	Confident	42 Å²	42	45 Å²	45	23%	0.225	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-46.2	177.9	-177.6	48.1	0	0	0	112.9	R384 A614 R615 T622	R384-D618 IonicContact CZ-OD1 3.77Å; R384-D618 IonicContact NH1-OD1 3.8Å; R384-D618 PolarHBondContact NH1-OD1 3.34Å; R384-D618 IonicContact NH2-OD1 2.94Å; A614-D618 PolarHBondContact O-N 2.69Å; R615-D618 PolarHBondContact O-N 2.88Å; D618-T622 WeakPolarHBondContact O-CB 3.35Å; D618-T622 PolarHBondContact O-N 3.2Å; D618-T622 PolarHBondContact O-OG1 3.43Å
619	Q	83.7	Confident	78	Confident	75 Å²	75	41.9 Å²	41.9	35%	0.35	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-52.1	177.7	-74.8	176.2	-1	0	0	111	R615 R621 T622 H623	R615-Q619 WeakPolarHBondContact O-CB 3.29Å; R615-Q619 VanDerWaalsContact O-CG 3.27Å; R615-Q619 WeakPolarHBondContact O-CG 3.41Å; R615-Q619 PolarHBondContact O-N 3.11Å; Q619-R621 PolarHBondContact O-N 2.98Å; Q619-T622 PolarHBondContact O-N 3.21Å; Q619-H623 PolarHBondContact O-CD2 2.96Å; Q619-H623 PolarHBondContact O-N 3.34Å
620	S	80.9	Confident	76.2	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-44	-178.7	60.2	0	0	0	0	112	Y616 Y617 T622 H623 I624	Y616-S620 WeakPolarHBondContact O-CB 3.22Å; Y616-S620 PolarHBondContact O-N 3.26Å; Y616-S620 PolarHBondContact O-OG 3.16Å; Y617-S620 PolarHBondContact O-OG 3.33Å; Y617-S620 VanDerWaalsContact O-OG 3.1Å; S620-T622 VanDerWaalsContact C-N 3.31Å; S620-T622 PolarHBondContact O-N 3.23Å; S620-H623 PolarHBondContact O-N 3.46Å; S620-I624 VanDerWaalsContact O-CB 3.24Å; S620-I624 WeakPolarHBondContact O-CB 3.33Å; S620-I624 WeakPolarHBondContact O-CD1 3.41Å; S620-I624 WeakPolarHBondContact O-CG1 3.41Å; S620-I624 PolarHBondContact O-N 3.06Å
621	R	78	Confident	73.7	Confident	22 Å²	22	52.3 Å²	52.3	8%	0.083	25%	0.25	C	S	.	.	H	α-helix	trans	-56.9	-47	175.1	179.6	-176.4	174.6	-150.6	2.7	111	D388 Y617 Q619 I624 L625	D388-R621 IonicContact OD2-NH2 2.69Å; Y617-R621 VanDerWaalsContact O-CB 3.25Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 2.75Å; Q619-R621 PolarHBondContact O-N 2.98Å; R621-I624 PolarHBondContact O-N 3.44Å; R621-L625 HydrophobicContact CG-CD1 3.66Å; R621-L625 HydrophobicContact CG-CG 4.27Å; R621-L625 VanDerWaalsContact O-CB 3.23Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 WeakPolarHBondContact O-CG 3.29Å; R621-L625 PolarHBondContact O-N 3.43Å
622	T	75.4	Confident	71.3	Confident	62 Å²	62	55.1 Å²	55.1	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-43.8	-178.6	-58.7	0	0	0	0	111.5	D618 Q619 S620 K626	D618-T622 WeakPolarHBondContact O-CB 3.35Å; D618-T622 PolarHBondContact O-N 3.2Å; D618-T622 PolarHBondContact O-OG1 3.43Å; Q619-T622 PolarHBondContact O-N 3.21Å; S620-T622 VanDerWaalsContact C-N 3.31Å; S620-T622 PolarHBondContact O-N 3.23Å; T622-K626 VanDerWaalsContact O-CB 3.29Å; T622-K626 WeakPolarHBondContact O-CB 3.29Å; T622-K626 PolarHBondContact O-N 3.26Å
623	H	73.6	Confident	68.6	Low	71 Å²	71	56.8 Å²	56.8	33%	0.329	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-43.6	177.3	-74	-62.5	0	0	0	112.9	V550 H553 Q619 S620 K626 C627	V550-H623 HydrophobicContact CG1-CB 4Å; V550-H623 HydrophobicContact CG2-CB 4.12Å; H553-H623 AromaticContact CD2-CD2 3.67Å; H553-H623 AromaticContact NE2-CD2 3.9Å; Q619-H623 PolarHBondContact O-CD2 2.96Å; Q619-H623 PolarHBondContact O-N 3.34Å; S620-H623 PolarHBondContact O-N 3.46Å; H623-K626 PolarHBondContact O-N 3.45Å; H623-C627 PolarHBondContact O-N 3.05Å
624	I	72.2	Confident	66.2	Low	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-44.6	178.1	-64	163.7	0	0	0	110	I442 Y528 L554 S620 R621 K626 L628 I629	I442-I624 HydrophobicContact CD1-CD1 4.29Å; I442-I624 HydrophobicContact CD1-CG2 4.2Å; I442-I624 HydrophobicContact CG2-CB 4.43Å; I442-I624 HydrophobicContact CG2-CD1 4.27Å; I442-I624 HydrophobicContact CG2-CG2 4Å; Y528-I624 HydrophobicContact CE1-CG2 4.29Å; L554-I624 HydrophobicContact CD1-CD1 4.24Å; L554-I624 HydrophobicContact CD1-CG1 4.06Å; L554-I624 HydrophobicContact CD2-CD1 4.02Å; L554-I624 HydrophobicContact CD2-CG1 4.31Å; S620-I624 VanDerWaalsContact O-CB 3.24Å; S620-I624 WeakPolarHBondContact O-CB 3.33Å; S620-I624 WeakPolarHBondContact O-CD1 3.41Å; S620-I624 WeakPolarHBondContact O-CG1 3.41Å; S620-I624 PolarHBondContact O-N 3.06Å; R621-I624 PolarHBondContact O-N 3.44Å; I624-K626 VanDerWaalsContact C-N 3.32Å; I624-K626 PolarHBondContact O-N 2.8Å; I624-L628 HydrophobicContact CB-CD1 4.42Å; I624-L628 HydrophobicContact CG1-CD1 4.12Å; I624-L628 HydrophobicContact CG2-CB 3.92Å; I624-L628 HydrophobicContact CG2-CD1 4.2Å; I624-L628 CarbonylContact O-C 3.53Å; I624-L628 VanDerWaalsContact O-CA 3.29Å; I624-L628 WeakPolarHBondContact O-CA 3.37Å; I624-L628 WeakPolarHBondContact O-CB 3.39Å; I624-L628 PolarHBondContact O-N 3.2Å; I624-I629 HydrophobicContact CG2-CD1 3.64Å; I624-I629 HydrophobicContact CG2-CG1 3.89Å; I624-I629 PolarHBondContact O-N 2.91Å
625	L	69	Low	63.7	Low	56 Å²	56	68.9 Å²	68.9	29%	0.293	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-38.2	177.3	-74.9	171.9	0	0	0	112.6	M443 R621 I629	M443-L625 HydrophobicContact CE-CD2 4.48Å; M443-L625 HydrophobicContact SD-CD2 3.49Å; M443-L625 WeakPolarHBondContact SD-CD2 3.35Å; R621-L625 HydrophobicContact CG-CD1 3.66Å; R621-L625 HydrophobicContact CG-CG 4.27Å; R621-L625 VanDerWaalsContact O-CB 3.23Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 WeakPolarHBondContact O-CG 3.29Å; R621-L625 PolarHBondContact O-N 3.43Å; L625-I629 HydrophobicContact CD2-CB 4.17Å; L625-I629 HydrophobicContact CD2-CD1 3.73Å; L625-I629 HydrophobicContact CD2-CG2 4.29Å; L625-I629 HydrophobicContact CG-CD1 4.37Å; L625-I629 CarbonylContact O-C 3.58Å; L625-I629 VanDerWaalsContact O-O 3.07Å
626	K	67.5	Low	61.4	Low	143 Å²	143	66.8 Å²	66.8	62%	0.622	35%	0.348	S	S	*	.	H	α-helix	trans	-68.1	-43.2	-177.8	-171	-178.3	177.4	-169.7	0	112.8	T622 H623 I624	T622-K626 VanDerWaalsContact O-CB 3.29Å; T622-K626 WeakPolarHBondContact O-CB 3.29Å; T622-K626 PolarHBondContact O-N 3.26Å; H623-K626 PolarHBondContact O-N 3.45Å; I624-K626 VanDerWaalsContact C-N 3.32Å; I624-K626 PolarHBondContact O-N 2.8Å
627	C	62.2	Low	59.1	Low	16 Å²	16	69.5 Å²	69.5	11%	0.108	36%	0.364	C	S	.	.	H	α-helix	trans	-116.8	-29.2	-167.1	-59.7	0	0	0	0	114	V550 H623	V550-C627 HydrophobicContact CG2-CB 4Å; H623-C627 PolarHBondContact O-N 3.05Å
628	L	58.4	Low	57.1	Low	16 Å²	16	72.8 Å²	72.8	8%	0.084	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-9.4	-173.7	-59.8	172	0	0	0	113.1	Y528 C532 L536 A547 V550 L554 I624	Y528-L628 HydrophobicContact CE1-CB 4.34Å; C532-L628 HydrophobicContact CB-CD2 3.63Å; L536-L628 HydrophobicContact CD1-CD2 4.16Å; A547-L628 HydrophobicContact CB-CD2 4.19Å; V550-L628 HydrophobicContact CG1-CD1 3.73Å; V550-L628 HydrophobicContact CG1-CG 4.32Å; L554-L628 HydrophobicContact CD1-CD1 4.47Å; I624-L628 HydrophobicContact CB-CD1 4.42Å; I624-L628 HydrophobicContact CG1-CD1 4.12Å; I624-L628 HydrophobicContact CG2-CB 3.92Å; I624-L628 HydrophobicContact CG2-CD1 4.2Å; I624-L628 CarbonylContact O-C 3.53Å; I624-L628 VanDerWaalsContact O-CA 3.29Å; I624-L628 WeakPolarHBondContact O-CA 3.37Å; I624-L628 WeakPolarHBondContact O-CB 3.39Å; I624-L628 PolarHBondContact O-N 3.2Å
629	I	54.7	Low	55.3	Low	20 Å²	20	72.4 Å²	72.4	10%	0.103	39%	0.388	C	S	.	.			trans	-132.8	65	177.3	-47.5	169.7	0	0	0	109.4	I442 M443 I624 L625	I442-I629 HydrophobicContact CG2-CD1 4.04Å; M443-I629 HydrophobicContact SD-CD1 4.31Å; I624-I629 HydrophobicContact CG2-CD1 3.64Å; I624-I629 HydrophobicContact CG2-CG1 3.89Å; I624-I629 PolarHBondContact O-N 2.91Å; L625-I629 HydrophobicContact CD2-CB 4.17Å; L625-I629 HydrophobicContact CD2-CD1 3.73Å; L625-I629 HydrophobicContact CD2-CG2 4.29Å; L625-I629 HydrophobicContact CG-CD1 4.37Å; L625-I629 CarbonylContact O-C 3.58Å; L625-I629 VanDerWaalsContact O-O 3.07Å
630	Q	49	Very low	53.4	Low	119 Å²	119	70.9 Å²	70.9	56%	0.556	39%	0.388	S	S	*	.			trans	-89.4	137.1	158.9	-83.1	-166.7	-8.8	0	0	110.2	V632	Q630-V632 PolarHBondContact O-N 2.91Å
631	P	33.2	Very low	51.8	Low	111 Å²	111	72.4 Å²	72.4	72%	0.721	40%	0.401	S	S	*	.			trans	-77.7	105.2	-179.7	32.2	-28.6	0	0	0	107.6
632	V	34.3	Very low	50.6	Low	101 Å²	101	76.2 Å²	76.2	61%	0.612	42%	0.422	S	S	*	.			trans	-125	115.2	160.3	-171.4	0	0	0	0	106.4	Q630 D634	Q630-V632 PolarHBondContact O-N 2.91Å; V632-D634 PolarHBondContact O-N 3.43Å
633	D	31.2	Very low	49.8	Very low	145 Å²	145	82.2 Å²	82.2	78%	0.775	44%	0.443	S	S	*	.			trans	-29.1	116.8	174.4	-54.6	-57.3	0	0	0	113.4
634	D	37.3	Very low	48.7	Very low	106 Å²	106	84.5 Å²	84.5	57%	0.567	46%	0.458	S	S	*	.			trans	-148.9	32.1	168.9	-112.5	-27.4	0	0	0	114.8	V632 L637	V632-D634 PolarHBondContact O-N 3.43Å; D634-L637 WeakPolarHBondContact OD1-CA 3.26Å; D634-L637 WeakPolarHBondContact OD1-CB 3.46Å; D634-L637 WeakPolarHBondContact OD1-CD1 3.42Å; D634-L637 WeakPolarHBondContact OD1-CG 3.26Å; D634-L637 PolarHBondContact OD1-N 3.3Å; D634-L637 WeakPolarHBondContact OD2-CD1 3.38Å
635	I	33.6	Very low	48	Very low	160 Å²	160	85.9 Å²	85.9	82%	0.821	47%	0.469	S	S	*	.	S	Bend	trans	-73.9	110.6	135.7	-60.9	166.3	0	0	0	103.1
636	D	38.1	Very low	47.7	Very low	92 Å²	92	92.5 Å²	92.5	49%	0.492	50%	0.495	S	S	.	.			trans	80.9	38	169.9	-76.5	-18	0	0	0	120.6	T638 A639 A640	D636-T638 PolarHBondContact O-N 3.37Å; D636-A639 HydrophobicContact CB-CB 3.56Å; D636-A639 PolarHBondContact O-N 3.01Å; D636-A639 VanDerWaalsContact O-N 3.16Å; D636-A639 WeakPolarHBondContact OD1-CB 3.43Å; D636-A639 WeakPolarHBondContact OD2-CB 3.34Å; D636-A640 WeakPolarHBondContact O-CA 3.43Å; D636-A640 WeakPolarHBondContact O-CB 3.18Å; D636-A640 PolarHBondContact O-N 3.18Å
637	L	40.1	Very low	47.6	Very low	96 Å²	96	88.6 Å²	88.6	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-60.2	-30.9	161.1	-91.9	167.5	0	0	0	111.9	D634 A641	D634-L637 WeakPolarHBondContact OD1-CA 3.26Å; D634-L637 WeakPolarHBondContact OD1-CB 3.46Å; D634-L637 WeakPolarHBondContact OD1-CD1 3.42Å; D634-L637 WeakPolarHBondContact OD1-CG 3.26Å; D634-L637 PolarHBondContact OD1-N 3.3Å; D634-L637 WeakPolarHBondContact OD2-CD1 3.38Å; L637-A641 WeakPolarHBondContact O-CA 3.4Å; L637-A641 WeakPolarHBondContact O-CB 3.15Å; L637-A641 PolarHBondContact O-N 3.34Å
638	T	44.5	Very low	47.3	Very low	76 Å²	76	93.2 Å²	93.2	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-44.4	170.6	23.4	0	0	0	0	111.7	D636 L642 T658	D636-T638 PolarHBondContact O-N 3.37Å; T638-L642 WeakPolarHBondContact O-CB 3.32Å; T638-L642 WeakPolarHBondContact O-CD1 3.45Å; T638-L642 WeakPolarHBondContact O-CG 3.42Å; T638-L642 PolarHBondContact O-N 3.07Å; T638-T658 HydrophobicContact CG2-CG2 3.73Å
639	A	44.5	Very low	47.1	Very low	34 Å²	34	98.3 Å²	98.3	28%	0.281	54%	0.538	S	S	.	.	H	α-helix	trans	-79.2	-27.8	-179.7	0	0	0	0	0	114.1	D636 K643	D636-A639 HydrophobicContact CB-CB 3.56Å; D636-A639 PolarHBondContact O-N 3.01Å; D636-A639 VanDerWaalsContact O-N 3.16Å; D636-A639 WeakPolarHBondContact OD1-CB 3.43Å; D636-A639 WeakPolarHBondContact OD2-CB 3.34Å; A639-K643 WeakPolarHBondContact O-CB 3.29Å; A639-K643 PolarHBondContact O-N 3.26Å
640	A	44.2	Very low	47.1	Very low	42 Å²	42	100.4 Å²	100.4	35%	0.347	55%	0.549	S	S	.	.	H	α-helix	trans	-76.6	-39	172.3	0	0	0	0	0	111.5	D636 K643 N644	D636-A640 WeakPolarHBondContact O-CA 3.43Å; D636-A640 WeakPolarHBondContact O-CB 3.18Å; D636-A640 PolarHBondContact O-N 3.18Å; A640-K643 PolarHBondContact O-N 3.5Å; A640-N644 VanDerWaalsContact O-CB 3.32Å; A640-N644 WeakPolarHBondContact O-CB 3.36Å; A640-N644 PolarHBondContact O-N 2.78Å; A640-N644 PolarHBondContact O-ND2 3.06Å
641	A	47.2	Very low	47.4	Very low	33 Å²	33	98.8 Å²	98.8	27%	0.273	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-36.9	169.9	0	0	0	0	0	111.4	L637 N644 A645 I654	L637-A641 WeakPolarHBondContact O-CA 3.4Å; L637-A641 WeakPolarHBondContact O-CB 3.15Å; L637-A641 PolarHBondContact O-N 3.34Å; A641-N644 PolarHBondContact O-N 3.35Å; A641-A645 WeakPolarHBondContact O-CB 3.43Å; A641-A645 PolarHBondContact O-N 3.46Å; A641-I654 HydrophobicContact CB-CD1 3.67Å; A641-I654 HydrophobicContact CB-CG1 4.05Å; A641-I654 WeakPolarHBondContact O-CD1 3.31Å
642	L	53.1	Low	48.5	Very low	101 Å²	101	99.1 Å²	99.1	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-37	170.8	-83.4	158.8	0	0	0	112.5	T638 L651	T638-L642 WeakPolarHBondContact O-CB 3.32Å; T638-L642 WeakPolarHBondContact O-CD1 3.45Å; T638-L642 WeakPolarHBondContact O-CG 3.42Å; T638-L642 PolarHBondContact O-N 3.07Å; L642-L651 HydrophobicContact CD2-CD2 4.17Å
643	K	57	Low	49.6	Very low	188 Å²	188	98.3 Å²	98.3	82%	0.817	53%	0.529	S	S	*	.	H	α-helix	trans	-72	-27.8	174.5	-97.4	179.4	175.2	172.9	0	113.8	A639 A640	A639-K643 WeakPolarHBondContact O-CB 3.29Å; A639-K643 PolarHBondContact O-N 3.26Å; A640-K643 PolarHBondContact O-N 3.5Å
644	N	51.6	Low	50.7	Low	120 Å²	120	92.9 Å²	92.9	64%	0.642	50%	0.5	S	S	*	.	H	α-helix	trans	-99.7	-4.5	-176.9	-73.4	-28.9	0	0	0	114.1	A640 A641 K646	A640-N644 VanDerWaalsContact O-CB 3.32Å; A640-N644 WeakPolarHBondContact O-CB 3.36Å; A640-N644 PolarHBondContact O-N 2.78Å; A640-N644 PolarHBondContact O-ND2 3.06Å; A641-N644 PolarHBondContact O-N 3.35Å; N644-K646 PolarHBondContact O-N 2.85Å; N644-K646 VanDerWaalsContact O-N 3.1Å
645	A	58.2	Low	51.2	Low	28 Å²	28	90.5 Å²	90.5	23%	0.231	49%	0.492	C	S	.	.			trans	-65	107.4	175	0	0	0	0	0	110.5	A641 D650 L651 I654	A641-A645 WeakPolarHBondContact O-CB 3.43Å; A641-A645 PolarHBondContact O-N 3.46Å; A645-D650 HydrophobicContact CB-CB 3.85Å; A645-L651 HydrophobicContact CB-CD2 3.85Å; A645-L651 HydrophobicContact CB-CG 4.06Å; A645-I654 HydrophobicContact CB-CD1 4.22Å
646	K	62	Low	51.8	Low	195 Å²	195	88.7 Å²	88.7	85%	0.848	48%	0.478	S	S	*	.			trans	-98.8	-18.7	178.3	-69.9	179.4	-176.2	175.8	0	112	N644 D650	N644-K646 PolarHBondContact O-N 2.85Å; N644-K646 VanDerWaalsContact O-N 3.1Å; K646-D650 PolarHBondContact N-OD2 3.47Å; K646-D650 VanDerWaalsContact N-OD2 3.14Å
647	T	65.2	Low	52.2	Low	62 Å²	62	89.1 Å²	89.1	38%	0.38	48%	0.477	S	S	.	.	S	Bend	trans	-123.7	152.1	-177.2	71	0	0	0	0	111.9	M649 D650 L651	T647-M649 PolarHBondContact O-N 2.96Å; T647-M649 VanDerWaalsContact O-N 3.16Å; T647-D650 PolarHBondContact N-OD2 3.36Å; T647-D650 WeakPolarHBondContact O-CB 3.38Å; T647-D650 PolarHBondContact O-N 3.4Å; T647-D650 PolarHBondContact OG1-N 3.32Å; T647-D650 PolarHBondContact OG1-OD1 3.26Å; T647-D650 PolarHBondContact OG1-OD2 3.04Å; T647-L651 PolarHBondContact O-N 3.21Å
648	P	56.9	Low	52.5	Low	112 Å²	112	87.8 Å²	87.8	73%	0.727	47%	0.473	S	S	*	.	H	α-helix	trans	-58.1	-24.6	172	-23.2	32.9	0	0	0	113.5	F652	P648-F652 PolarHBondContact O-N 3.42Å; P648-F652 VanDerWaalsContact O-N 3.08Å
649	M	54.1	Low	52.4	Low	124 Å²	124	91.9 Å²	91.9	61%	0.611	48%	0.481	S	S	*	.	H	α-helix	trans	-69.7	-38.2	174.4	-89.7	-69.5	-75	0	0	112.2	T647 L651 F652 V653	T647-M649 PolarHBondContact O-N 2.96Å; T647-M649 VanDerWaalsContact O-N 3.16Å; M649-L651 VanDerWaalsContact C-N 3.29Å; M649-L651 PolarHBondContact O-N 3.39Å; M649-F652 PolarHBondContact O-N 2.98Å; M649-F652 VanDerWaalsContact O-N 3.1Å; M649-V653 WeakPolarHBondContact O-CG2 3.44Å; M649-V653 PolarHBondContact O-N 3.41Å
650	D	53.3	Low	52.2	Low	63 Å²	63	95.7 Å²	95.7	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176	-55.4	-37.7	0	0	0	110.2	A645 K646 T647 F652 V653 I654	A645-D650 HydrophobicContact CB-CB 3.85Å; K646-D650 PolarHBondContact N-OD2 3.47Å; K646-D650 VanDerWaalsContact N-OD2 3.14Å; T647-D650 PolarHBondContact N-OD2 3.36Å; T647-D650 WeakPolarHBondContact O-CB 3.38Å; T647-D650 PolarHBondContact O-N 3.4Å; T647-D650 PolarHBondContact OG1-N 3.32Å; T647-D650 PolarHBondContact OG1-OD1 3.26Å; T647-D650 PolarHBondContact OG1-OD2 3.04Å; D650-F652 VanDerWaalsContact C-N 3.32Å; D650-F652 PolarHBondContact O-N 3.41Å; D650-V653 PolarHBondContact O-N 2.9Å; D650-I654 WeakPolarHBondContact O-CB 3.2Å; D650-I654 VanDerWaalsContact O-CD1 3.29Å; D650-I654 WeakPolarHBondContact O-CD1 3.23Å; D650-I654 WeakPolarHBondContact O-CG1 3.33Å; D650-I654 PolarHBondContact O-N 2.97Å
651	L	56.5	Low	51.9	Low	86 Å²	86	98.9 Å²	98.9	45%	0.45	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-34.3	174.3	-67.7	172	0	0	0	112.7	L642 A645 T647 M649 S655	L642-L651 HydrophobicContact CD2-CD2 4.17Å; A645-L651 HydrophobicContact CB-CD2 3.85Å; A645-L651 HydrophobicContact CB-CG 4.06Å; T647-L651 PolarHBondContact O-N 3.21Å; M649-L651 VanDerWaalsContact C-N 3.29Å; M649-L651 PolarHBondContact O-N 3.39Å; L651-S655 WeakPolarHBondContact O-CB 3.32Å; L651-S655 PolarHBondContact O-N 2.92Å; L651-S655 PolarHBondContact O-OG 2.81Å
652	F	56.3	Low	52.2	Low	118 Å²	118	102.2 Å²	102.2	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-72.4	-37.1	176.7	-173.9	-97.9	0	0	0	112.5	P648 M649 D650 S655 K656	P648-F652 PolarHBondContact O-N 3.42Å; P648-F652 VanDerWaalsContact O-N 3.08Å; M649-F652 PolarHBondContact O-N 2.98Å; M649-F652 VanDerWaalsContact O-N 3.1Å; D650-F652 VanDerWaalsContact C-N 3.32Å; D650-F652 PolarHBondContact O-N 3.41Å; F652-S655 WeakPolarHBondContact CA-OG 3.49Å; F652-S655 PolarHBondContact O-OG 2.97Å; F652-S655 VanDerWaalsContact O-OG 3.05Å; F652-K656 HydrophobicContact CE1-CD 4.29Å; F652-K656 WeakPolarHBondContact O-CB 3.22Å; F652-K656 PolarHBondContact O-N 3.37Å
653	V	57.7	Low	52.1	Low	83 Å²	83	102.3 Å²	102.3	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-44.2	175	174.1	0	0	0	0	110.1	M649 D650 S655 K656 Q657	M649-V653 WeakPolarHBondContact O-CG2 3.44Å; M649-V653 PolarHBondContact O-N 3.41Å; D650-V653 PolarHBondContact O-N 2.9Å; V653-S655 PolarHBondContact O-N 3.5Å; V653-K656 PolarHBondContact O-N 2.97Å; V653-Q657 VanDerWaalsContact O-CB 3.28Å; V653-Q657 WeakPolarHBondContact O-CB 3.48Å; V653-Q657 PolarHBondContact O-N 3.21Å
654	I	53.8	Low	51.8	Low	31 Å²	31	97.5 Å²	97.5	16%	0.159	50%	0.502	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175	-65.1	161.5	0	0	0	110.6	A641 A645 D650 Q657 T658	A641-I654 HydrophobicContact CB-CD1 3.67Å; A641-I654 HydrophobicContact CB-CG1 4.05Å; A641-I654 WeakPolarHBondContact O-CD1 3.31Å; A645-I654 HydrophobicContact CB-CD1 4.22Å; D650-I654 WeakPolarHBondContact O-CB 3.2Å; D650-I654 VanDerWaalsContact O-CD1 3.29Å; D650-I654 WeakPolarHBondContact O-CD1 3.23Å; D650-I654 WeakPolarHBondContact O-CG1 3.33Å; D650-I654 PolarHBondContact O-N 2.97Å; I654-Q657 PolarHBondContact O-N 3.09Å; I654-T658 WeakPolarHBondContact O-CB 3.46Å; I654-T658 WeakPolarHBondContact O-CG2 3.49Å; I654-T658 PolarHBondContact O-N 3.04Å; I654-T658 PolarHBondContact O-OG1 3.22Å
655	S	47.4	Very low	51.8	Low	57 Å²	57	96.2 Å²	96.2	40%	0.399	49%	0.494	S	S	.	.	H	α-helix	trans	-70.3	-34.9	178.4	74.9	0	0	0	0	113.1	L651 F652 V653 T658 Y659	L651-S655 WeakPolarHBondContact O-CB 3.32Å; L651-S655 PolarHBondContact O-N 2.92Å; L651-S655 PolarHBondContact O-OG 2.81Å; F652-S655 WeakPolarHBondContact CA-OG 3.49Å; F652-S655 PolarHBondContact O-OG 2.97Å; F652-S655 VanDerWaalsContact O-OG 3.05Å; V653-S655 PolarHBondContact O-N 3.5Å; S655-T658 WeakPolarHBondContact CA-OG1 3.45Å; S655-T658 PolarHBondContact O-OG1 3.36Å; S655-Y659 WeakPolarHBondContact O-CB 3.15Å; S655-Y659 PolarHBondContact O-N 2.81Å
656	K	46.4	Very low	51.4	Low	122 Å²	122	100.4 Å²	100.4	53%	0.53	51%	0.51	S	S	.	.	H	α-helix	trans	-72.3	-37.4	175.1	-167.1	177.1	-177.9	-175.9	0	111.1	F652 V653 Y659 L660	F652-K656 HydrophobicContact CE1-CD 4.29Å; F652-K656 WeakPolarHBondContact O-CB 3.22Å; F652-K656 PolarHBondContact O-N 3.37Å; V653-K656 PolarHBondContact O-N 2.97Å; K656-Y659 PolarHBondContact O-N 3.15Å; K656-L660 HydrophobicContact CG-CD1 4.15Å; K656-L660 WeakPolarHBondContact O-CB 3.41Å; K656-L660 WeakPolarHBondContact O-CD1 3.38Å; K656-L660 WeakPolarHBondContact O-CG 3.38Å; K656-L660 PolarHBondContact O-N 3.3Å
657	Q	45.6	Very low	50.7	Low	100 Å²	100	94.1 Å²	94.1	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-67	-44.8	174.1	-159.5	71.7	18.7	0	0	110.8	V653 I654 Y659 L660 D661	V653-Q657 VanDerWaalsContact O-CB 3.28Å; V653-Q657 WeakPolarHBondContact O-CB 3.48Å; V653-Q657 PolarHBondContact O-N 3.21Å; I654-Q657 PolarHBondContact O-N 3.09Å; Q657-Y659 PolarHBondContact O-N 3.44Å; Q657-L660 PolarHBondContact O-N 2.9Å; Q657-L660 VanDerWaalsContact O-N 3.16Å; Q657-D661 VanDerWaalsContact O-CB 3.25Å; Q657-D661 WeakPolarHBondContact O-CB 3.34Å; Q657-D661 PolarHBondContact O-N 3.32Å
658	T	47.4	Very low	49.7	Very low	68 Å²	68	96.4 Å²	96.4	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-72.4	-5.4	173	47.5	0	0	0	0	115.1	T638 I654 S655 D661	T638-T658 HydrophobicContact CG2-CG2 3.73Å; I654-T658 WeakPolarHBondContact O-CB 3.46Å; I654-T658 WeakPolarHBondContact O-CG2 3.49Å; I654-T658 PolarHBondContact O-N 3.04Å; I654-T658 PolarHBondContact O-OG1 3.22Å; S655-T658 WeakPolarHBondContact CA-OG1 3.45Å; S655-T658 PolarHBondContact O-OG1 3.36Å; T658-D661 VanDerWaalsContact O-OXT 3.11Å
659	Y	41.6	Very low	49.2	Very low	162 Å²	162	95.2 Å²	95.2	64%	0.635	48%	0.478	S	S	*	.	H	α-helix	trans	-98.7	-20.6	170.7	-176.2	-89.5	0	0	0	112.1	R421 S655 K656 Q657	R421-Y659 PolarHBondContact NH2-OH 2.88Å; S655-Y659 WeakPolarHBondContact O-CB 3.15Å; S655-Y659 PolarHBondContact O-N 2.81Å; K656-Y659 PolarHBondContact O-N 3.15Å; Q657-Y659 PolarHBondContact O-N 3.44Å
660	L	40.3	Very low	48.7	Very low	115 Å²	115	92.8 Å²	92.8	60%	0.602	47%	0.467	S	S	*	.	H	α-helix	trans	-92.7	-37.6	175.6	-71.4	166.8	0	0	0	111	K428 K656 Q657	K428-L660 PolarHBondContact NZ-O 3.13Å; K656-L660 HydrophobicContact CG-CD1 4.15Å; K656-L660 WeakPolarHBondContact O-CB 3.41Å; K656-L660 WeakPolarHBondContact O-CD1 3.38Å; K656-L660 WeakPolarHBondContact O-CG 3.38Å; K656-L660 PolarHBondContact O-N 3.3Å; Q657-L660 PolarHBondContact O-N 2.9Å; Q657-L660 VanDerWaalsContact O-N 3.16Å
661	D	38.6	Very low	48.3	Very low	109 Å²	109	95.5 Å²	95.5	58%	0.583	48%	0.479	S	S	*	.			trans	-70.2	0	157.3	-65.4	-26.4	0	0	0	110.2	K428 Q657 T658	K428-D661 PolarHBondContact NZ-O 3.36Å; Q657-D661 VanDerWaalsContact O-CB 3.25Å; Q657-D661 WeakPolarHBondContact O-CB 3.34Å; Q657-D661 PolarHBondContact O-N 3.32Å; T658-D661 VanDerWaalsContact O-OXT 3.11Å

Retrieved 661 of 661 residues in 273.5 ms (Link to these results)

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