A0A077Z052_TRITR Loading...

Serine:threonine protein phosphatase 4

AlphaFold DB , UniProt , Accession A0A077Z052, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 662 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	89.2	Confident	83.6	Confident	19 Å²	19	94.5 Å²	94.5	9%	0.094	43%	0.426	C	S	.	.				0	136.6	0	169.4	-168.4	165	0	0	107.7	M3 K13 G14 M52 L53 M81 L83	M1-M3 HydrophobicContact CE-CG 3.95Å; M1-M3 HydrophobicContact CE-SD 3.94Å; M1-K13 HydrophobicContact CE-CB 4.49Å; M1-K13 HydrophobicContact CE-CG 4.43Å; M1-K13 HydrophobicContact CG-CB 4.32Å; M1-K13 PolarHBondContact O-N 3.39Å; M1-K13 HydrophobicContact SD-CB 4.23Å; M1-G14 PolarHBondContact N-O 3.45Å; M1-M52 HydrophobicContact CB-CE 4.36Å; M1-M52 HydrophobicContact SD-CB 4.2Å; M1-M52 HydrophobicContact SD-CE 4.28Å; M1-L53 HydrophobicContact CE-CB 3.9Å; M1-L53 HydrophobicContact CE-CD1 4.2Å; M1-L53 HydrophobicContact CE-CD2 4.24Å; M1-L53 HydrophobicContact CE-CG 4.35Å; M1-L53 HydrophobicContact SD-CB 3.77Å; M1-L53 HydrophobicContact SD-CD2 4.4Å; M1-M81 HydrophobicContact CE-CE 3.39Å; M1-L83 HydrophobicContact CB-CD2 4.22Å; M1-L83 HydrophobicContact CG-CD2 4.17Å
2	Y	90.2	Very high	84.1	Confident	82 Å²	82	94.6 Å²	94.6	32%	0.322	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.9	-178.7	-58.8	-91.2	0	0	0	111.6	W10 D11 D12 A82	Y2-W10 HydrophobicContact CD1-CB 4.36Å; Y2-D11 VanDerWaalsContact CA-O 3.27Å; Y2-D11 WeakPolarHBondContact CA-O 3.33Å; Y2-D12 HydrophobicContact CD1-CB 3.94Å; Y2-D12 HydrophobicContact CE1-CB 3.67Å; Y2-A82 PolarHBondContact N-O 2.84Å; Y2-A82 PolarHBondContact O-N 3.17Å
3	M	88.6	Confident	84.3	Confident	63 Å²	63	93.6 Å²	93.6	31%	0.31	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.5	169.6	-56.2	-162.4	-70.7	0	0	109.9	M1 D11 K13 D80 M81	M1-M3 HydrophobicContact CE-CG 3.95Å; M1-M3 HydrophobicContact CE-SD 3.94Å; M3-D11 PolarHBondContact N-O 3.11Å; M3-D11 PolarHBondContact O-N 3.1Å; M3-K13 HydrophobicContact CB-CG 4.42Å; M3-K13 HydrophobicContact CE-CD 3.63Å; M3-K13 HydrophobicContact CE-CG 3.87Å; M3-K13 HydrophobicContact CG-CD 4.46Å; M3-K13 HydrophobicContact CG-CG 3.84Å; M3-K13 HydrophobicContact SD-CG 4.47Å; M3-D80 WeakPolarHBondContact CA-O 3.35Å; M3-M81 HydrophobicContact CB-SD 4.29Å; M3-M81 HydrophobicContact CG-CE 4.16Å; M3-M81 HydrophobicContact CG-SD 3.46Å; M3-M81 WeakPolarHBondContact CG-SD 3.2Å; M3-M81 HydrophobicContact SD-CE 3.94Å; M3-M81 HydrophobicContact SD-SD 3.44Å
4	L	83.2	Confident	84.5	Confident	30 Å²	30	88.4 Å²	88.4	16%	0.157	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	177.5	-161	73.9	0	0	0	110.2	W10 D80	L4-W10 HydrophobicContact CB-CE3 4.14Å; L4-W10 HydrophobicContact CB-CH2 4.4Å; L4-W10 HydrophobicContact CB-CZ3 4.08Å; L4-W10 HydrophobicContact CD1-CD2 3.81Å; L4-W10 HydrophobicContact CD1-CE3 4.28Å; L4-W10 HydrophobicContact CD1-CG 4.05Å; L4-W10 HydrophobicContact CD1-CZ2 4.29Å; L4-D80 HydrophobicContact CB-CB 3.69Å; L4-D80 HydrophobicContact CD2-CB 4.15Å; L4-D80 VanDerWaalsContact CD2-OD2 3.26Å; L4-D80 WeakPolarHBondContact CD2-OD2 3.29Å; L4-D80 PolarHBondContact N-O 3.16Å
5	N	78.3	Confident	84.7	Confident	40 Å²	40	88.8 Å²	88.8	21%	0.214	42%	0.423	C	S	.	.			trans	-87.6	173.3	178.6	67.9	26.7	0	0	0	112.6	K7 R8 T9 D11	N5-K7 PolarHBondContact O-N 3.47Å; N5-K7 WeakPolarHBondContact OD1-CA 3.44Å; N5-K7 WeakPolarHBondContact OD1-CB 3.18Å; N5-K7 PolarHBondContact OD1-N 3.34Å; N5-R8 WeakPolarHBondContact O-CA 3.25Å; N5-R8 PolarHBondContact O-N 3.43Å; N5-R8 PolarHBondContact OD1-N 3.19Å; N5-T9 PolarHBondContact N-O 2.83Å; N5-T9 PolarHBondContact ND2-O 3.34Å; N5-T9 PolarHBondContact ND2-OG1 3.47Å; N5-T9 PolarHBondContact OD1-N 3.12Å; N5-T9 PolarHBondContact OD1-O 2.89Å; N5-T9 VanDerWaalsContact OD1-O 3.1Å; N5-T9 PolarHBondContact OD1-OG1 3.34Å; N5-D11 PolarHBondContact ND2-OD1 3.04Å
6	E	79.6	Confident	84.9	Confident	205 Å²	205	84.9 Å²	84.9	96%	0.958	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.6	179.2	-64.4	-177.5	170.7	0	0	114.1	R8	E6-R8 PolarHBondContact O-N 2.99Å
7	K	80	Confident	85.1	Confident	182 Å²	182	88.3 Å²	88.3	79%	0.791	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	7.5	176.2	-61.1	-179.1	-178.5	174.3	0	113.1	N5 T9	N5-K7 PolarHBondContact O-N 3.47Å; N5-K7 WeakPolarHBondContact OD1-CA 3.44Å; N5-K7 WeakPolarHBondContact OD1-CB 3.18Å; N5-K7 PolarHBondContact OD1-N 3.34Å; K7-T9 PolarHBondContact O-N 2.96Å
8	R	77.9	Confident	85.4	Confident	168 Å²	168	85.6 Å²	85.6	63%	0.634	42%	0.418	S	S	*	.	S	Bend	trans	57	36.5	-173.4	-63.2	-74.2	-171.6	172.1	-1.9	112.5	N5 E6 D80	N5-R8 WeakPolarHBondContact O-CA 3.25Å; N5-R8 PolarHBondContact O-N 3.43Å; N5-R8 PolarHBondContact OD1-N 3.19Å; E6-R8 PolarHBondContact O-N 2.99Å; R8-D80 IonicContact NH1-OD2 2.77Å
9	T	78.8	Confident	85.5	Confident	71 Å²	71	84.2 Å²	84.2	44%	0.436	42%	0.415	S	S	.	.			trans	-118.6	143.2	173.1	53.9	0	0	0	0	110.3	N5 K7 D11	N5-T9 PolarHBondContact N-O 2.83Å; N5-T9 PolarHBondContact ND2-O 3.34Å; N5-T9 PolarHBondContact ND2-OG1 3.47Å; N5-T9 PolarHBondContact OD1-N 3.12Å; N5-T9 PolarHBondContact OD1-O 2.89Å; N5-T9 VanDerWaalsContact OD1-O 3.1Å; N5-T9 PolarHBondContact OD1-OG1 3.34Å; K7-T9 PolarHBondContact O-N 2.96Å; T9-D11 PolarHBondContact O-N 3.37Å
10	W	86.7	Confident	85.7	Confident	119 Å²	119	81.7 Å²	81.7	45%	0.451	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	115.9	-179.3	-70.4	106.3	0	0	0	110.7	Y2 L4 V72 D80 A82	Y2-W10 HydrophobicContact CD1-CB 4.36Å; L4-W10 HydrophobicContact CB-CE3 4.14Å; L4-W10 HydrophobicContact CB-CH2 4.4Å; L4-W10 HydrophobicContact CB-CZ3 4.08Å; L4-W10 HydrophobicContact CD1-CD2 3.81Å; L4-W10 HydrophobicContact CD1-CE3 4.28Å; L4-W10 HydrophobicContact CD1-CG 4.05Å; L4-W10 HydrophobicContact CD1-CZ2 4.29Å; W10-V72 HydrophobicContact CH2-CG1 3.91Å; W10-V72 HydrophobicContact CZ2-CG1 4.26Å; W10-D80 HydrophobicContact CH2-CB 4.06Å; W10-D80 HydrophobicContact CZ3-CB 4.44Å; W10-A82 HydrophobicContact CE3-CB 4.35Å; W10-A82 HydrophobicContact CH2-CB 3.94Å; W10-A82 HydrophobicContact CZ3-CB 3.81Å
11	D	86.7	Confident	85.6	Confident	60 Å²	60	81.5 Å²	81.5	32%	0.321	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.5	169.6	-77.7	-6.8	0	0	0	109.7	Y2 M3 N5 T9 K13	Y2-D11 VanDerWaalsContact CA-O 3.27Å; Y2-D11 WeakPolarHBondContact CA-O 3.33Å; M3-D11 PolarHBondContact N-O 3.11Å; M3-D11 PolarHBondContact O-N 3.1Å; N5-D11 PolarHBondContact ND2-OD1 3.04Å; T9-D11 PolarHBondContact O-N 3.37Å; D11-K13 PolarHBondContact O-N 2.93Å; D11-K13 IonicContact OD2-NZ 3.93Å; D11-K13 PolarHBondContact OD2-NZ 2.95Å
12	D	89.5	Confident	85.3	Confident	96 Å²	96	86.4 Å²	86.4	51%	0.513	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.3	167.4	-171.7	2.2	0	0	0	110.2	Y2 G14	Y2-D12 HydrophobicContact CD1-CB 3.94Å; Y2-D12 HydrophobicContact CE1-CB 3.67Å; D12-G14 WeakPolarHBondContact OD1-CA 3.35Å; D12-G14 PolarHBondContact OD1-N 3.36Å
13	K	86.8	Confident	84.8	Confident	82 Å²	82	84 Å²	84	36%	0.357	42%	0.417	S	S	.	.			trans	-98.3	-8.7	177	-57.7	-60.5	166.1	179.9	0	112.8	M1 M3 D11 M52	M1-K13 HydrophobicContact CE-CB 4.49Å; M1-K13 HydrophobicContact CE-CG 4.43Å; M1-K13 HydrophobicContact CG-CB 4.32Å; M1-K13 PolarHBondContact O-N 3.39Å; M1-K13 HydrophobicContact SD-CB 4.23Å; M3-K13 HydrophobicContact CB-CG 4.42Å; M3-K13 HydrophobicContact CE-CD 3.63Å; M3-K13 HydrophobicContact CE-CG 3.87Å; M3-K13 HydrophobicContact CG-CD 4.46Å; M3-K13 HydrophobicContact CG-CG 3.84Å; M3-K13 HydrophobicContact SD-CG 4.47Å; D11-K13 PolarHBondContact O-N 2.93Å; D11-K13 IonicContact OD2-NZ 3.93Å; D11-K13 PolarHBondContact OD2-NZ 2.95Å; K13-M52 VanDerWaalsContact C-CE 3.48Å; K13-M52 HydrophobicContact CB-CE 4.28Å; K13-M52 WeakPolarHBondContact O-CE 3.33Å
14	G	87.2	Confident	84	Confident	21 Å²	21	88.5 Å²	88.5	22%	0.216	44%	0.437	C	S	.	.			trans	119.3	178.7	176.4	0	0	0	0	0	114.2	M1 D12	M1-G14 PolarHBondContact N-O 3.45Å; D12-G14 WeakPolarHBondContact OD1-CA 3.35Å; D12-G14 PolarHBondContact OD1-N 3.36Å
15	T	87.9	Confident	83.6	Confident	94 Å²	94	95.7 Å²	95.7	58%	0.577	47%	0.469	S	S	*	.			trans	-104.2	139.3	-179.3	-54.7	0	0	0	0	110.6	E36	T15-E36 PolarHBondContact O-N 2.81Å
16	G	88.1	Confident	83.7	Confident	26 Å²	26	98.5 Å²	98.5	27%	0.268	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	168.2	-178.4	0	0	0	0	0	112.5	V34	G16-V34 CarbonylContact C-O 3.44Å; G16-V34 WeakPolarHBondContact CA-O 3.48Å
17	Q	88.5	Confident	83.7	Confident	143 Å²	143	98.7 Å²	98.7	67%	0.668	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.3	174.1	-170.3	174.6	8	0	0	109.5	V33 V34	Q17-V33 WeakPolarHBondContact O-CA 3.3Å; Q17-V34 PolarHBondContact N-O 3.4Å; Q17-V34 PolarHBondContact O-N 2.79Å
18	V	90.5	Very high	83.9	Confident	40 Å²	40	90.6 Å²	90.6	24%	0.242	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136	174.7	60.8	0	0	0	0	110.2	K32 V33 L83 F85 V94	V18-K32 CarbonylContact C-O 3.59Å; V18-K32 WeakPolarHBondContact CA-O 3.41Å; V18-V33 HydrophobicContact CB-CG2 4.24Å; V18-V33 HydrophobicContact CG2-CG2 4.18Å; V18-L83 HydrophobicContact CG2-CD1 4.23Å; V18-F85 HydrophobicContact CG1-CD1 4.19Å; V18-F85 HydrophobicContact CG1-CE1 3.49Å; V18-F85 VanDerWaalsContact CG1-CE1 3.49Å; V18-F85 HydrophobicContact CG1-CZ 4.2Å; V18-V94 HydrophobicContact CG1-CG2 4.12Å; V18-V94 HydrophobicContact CG2-CG2 4.15Å
19	T	87.6	Confident	84.3	Confident	58 Å²	58	83.8 Å²	83.8	36%	0.356	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.6	173.1	53.3	0	0	0	0	108.9	K32	T19-K32 PolarHBondContact N-O 3.49Å; T19-K32 PolarHBondContact O-N 2.92Å; T19-K32 PolarHBondContact OG1-O 2.88Å
20	C	88.4	Confident	84.8	Confident	35 Å²	35	80.6 Å²	80.6	24%	0.236	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116	172.9	-168.8	0	0	0	0	107.8	V29 I30 L31 S97	C20-V29 WeakPolarHBondContact SG-CG1 3.36Å; C20-I30 WeakPolarHBondContact CA-O 3.44Å; C20-L31 HydrophobicContact CB-CD2 3.94Å; C20-S97 WeakPolarHBondContact SG-CB 3.5Å
21	F	84.9	Confident	85.1	Confident	77 Å²	77	74.9 Å²	74.9	34%	0.338	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155	-176.1	67	-86	0	0	0	111.7	N23 V29 I30 K32	F21-N23 HydrophobicContact CE2-CB 4.05Å; F21-N23 PolarHBondContact O-N 2.88Å; F21-V29 WeakPolarHBondContact O-CA 3.25Å; F21-I30 HydrophobicContact CZ-CB 4.35Å; F21-I30 PolarHBondContact N-O 3.48Å; F21-I30 VanDerWaalsContact N-O 3.16Å; F21-I30 PolarHBondContact O-N 3.08Å; F21-K32 HydrophobicContact CE1-CB 3.85Å; F21-K32 HydrophobicContact CE1-CD 4.09Å; F21-K32 HydrophobicContact CZ-CD 4.38Å
22	F	82.5	Confident	85.3	Confident	123 Å²	123	74.2 Å²	74.2	54%	0.539	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.6	173.6	-172.1	-99.7	0	0	0	110	R27 V29	F22-R27 HydrophobicContact CZ-CB 4.24Å; F22-V29 HydrophobicContact CB-CG2 4.42Å; F22-V29 HydrophobicContact CD2-CG2 3.88Å
23	N	79.3	Confident	85.3	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.171	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112	175.5	-176.4	-42.9	0	0	0	109.5	F21 H25 L26 R27 A28 I30	F21-N23 HydrophobicContact CE2-CB 4.05Å; F21-N23 PolarHBondContact O-N 2.88Å; N23-H25 VanDerWaalsContact C-N 3.28Å; N23-H25 PolarHBondContact O-N 3.01Å; N23-H25 WeakPolarHBondContact OD1-CB 3.47Å; N23-H25 PolarHBondContact OD1-N 2.71Å; N23-L26 HydrophobicContact CB-CB 4.37Å; N23-L26 PolarHBondContact O-N 2.89Å; N23-L26 PolarHBondContact OD1-N 3.09Å; N23-R27 WeakPolarHBondContact O-CA 3.38Å; N23-R27 PolarHBondContact O-N 3.07Å; N23-A28 PolarHBondContact N-O 3.22Å; N23-A28 PolarHBondContact O-N 3Å; N23-I30 HydrophobicContact CB-CG1 3.62Å
24	E	72.2	Confident	85.3	Confident	157 Å²	157	66.7 Å²	66.7	73%	0.734	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.4	-177.2	-64.6	-166	155.9	0	0	114.1	R27	E24-R27 WeakPolarHBondContact O-CG 3.19Å
25	H	74.1	Confident	85	Confident	181 Å²	181	67.7 Å²	67.7	84%	0.838	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-40	-178	-69.8	60.7	0	0	0	111.2	N23	N23-H25 VanDerWaalsContact C-N 3.28Å; N23-H25 PolarHBondContact O-N 3.01Å; N23-H25 WeakPolarHBondContact OD1-CB 3.47Å; N23-H25 PolarHBondContact OD1-N 2.71Å
26	L	79.8	Confident	84.2	Confident	98 Å²	98	68.3 Å²	68.3	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.3	176.4	-62.6	176.1	0	0	0	112.8	N23 A28 I30	N23-L26 HydrophobicContact CB-CB 4.37Å; N23-L26 PolarHBondContact O-N 2.89Å; N23-L26 PolarHBondContact OD1-N 3.09Å; L26-A28 HydrophobicContact CB-CB 4.43Å; L26-A28 PolarHBondContact O-N 3.41Å; L26-I30 HydrophobicContact CD1-CD1 3.88Å; L26-I30 HydrophobicContact CD1-CG1 4.38Å
27	R	79.7	Confident	82.9	Confident	210 Å²	210	74.8 Å²	74.8	79%	0.792	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	40.6	-170.5	-65.4	-170.3	169.7	-166.4	-3	112.9	F22 N23 E24	F22-R27 HydrophobicContact CZ-CB 4.24Å; N23-R27 WeakPolarHBondContact O-CA 3.38Å; N23-R27 PolarHBondContact O-N 3.07Å; E24-R27 WeakPolarHBondContact O-CG 3.19Å
28	A	84	Confident	81.1	Confident	11 Å²	11	71.4 Å²	71.4	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.4	-176.9	0	0	0	0	0	111	N23 L26 I30 Q56	N23-A28 PolarHBondContact N-O 3.22Å; N23-A28 PolarHBondContact O-N 3Å; L26-A28 HydrophobicContact CB-CB 4.43Å; L26-A28 PolarHBondContact O-N 3.41Å; A28-I30 HydrophobicContact CB-CD1 4.48Å; A28-Q56 VanDerWaalsContact CB-CD 3.44Å; A28-Q56 HydrophobicContact CB-CG 3.71Å; A28-Q56 VanDerWaalsContact CB-NE2 3.35Å
29	V	87.6	Confident	79.1	Confident	25 Å²	25	72.2 Å²	72.2	15%	0.152	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.9	171.8	175.1	0	0	0	0	109.4	C20 F21 F22 V57 V101	C20-V29 WeakPolarHBondContact SG-CG1 3.36Å; F21-V29 WeakPolarHBondContact O-CA 3.25Å; F22-V29 HydrophobicContact CB-CG2 4.42Å; F22-V29 HydrophobicContact CD2-CG2 3.88Å; V29-V57 HydrophobicContact CG1-CG2 4.14Å; V29-V57 PolarHBondContact O-N 3.16Å; V29-V101 HydrophobicContact CB-CG2 3.6Å; V29-V101 HydrophobicContact CG1-CG2 3.97Å; V29-V101 HydrophobicContact CG2-CG2 3.39Å
30	I	89.9	Confident	77	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.8	-175.7	-55.8	-58.4	0	0	0	109.4	C20 F21 N23 L26 A28 E54 S55 Q56	C20-I30 WeakPolarHBondContact CA-O 3.44Å; F21-I30 HydrophobicContact CZ-CB 4.35Å; F21-I30 PolarHBondContact N-O 3.48Å; F21-I30 VanDerWaalsContact N-O 3.16Å; F21-I30 PolarHBondContact O-N 3.08Å; N23-I30 HydrophobicContact CB-CG1 3.62Å; L26-I30 HydrophobicContact CD1-CD1 3.88Å; L26-I30 HydrophobicContact CD1-CG1 4.38Å; A28-I30 HydrophobicContact CB-CD1 4.48Å; I30-E54 HydrophobicContact CG2-CG 3.43Å; I30-E54 VanDerWaalsContact CG2-CG 3.43Å; I30-S55 WeakPolarHBondContact CA-O 3.28Å; I30-Q56 HydrophobicContact CD1-CB 3.78Å; I30-Q56 HydrophobicContact CD1-CG 4.08Å
31	L	91.7	Very high	74.7	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.8	164.2	-65.3	173.3	0	0	0	108.4	C20 E54 S55 V57 Y63 W73 V94 I98	C20-L31 HydrophobicContact CB-CD2 3.94Å; L31-E54 WeakPolarHBondContact O-CA 3.24Å; L31-S55 PolarHBondContact N-O 2.98Å; L31-S55 PolarHBondContact O-N 3.35Å; L31-V57 HydrophobicContact CD1-CG2 4.01Å; L31-V57 HydrophobicContact CD2-CG2 4.44Å; L31-V57 HydrophobicContact CG-CG2 3.79Å; L31-Y63 HydrophobicContact CD1-CE1 4.46Å; L31-W73 HydrophobicContact CD1-CH2 4.44Å; L31-V94 HydrophobicContact CD2-CG1 3.6Å; L31-I98 HydrophobicContact CD1-CD1 3.91Å; L31-I98 HydrophobicContact CD1-CG1 4.22Å; L31-I98 HydrophobicContact CD2-CD1 4.34Å; L31-I98 HydrophobicContact CD2-CG1 4.29Å
32	K	90.4	Very high	72.3	Confident	45 Å²	45	85.1 Å²	85.1	20%	0.196	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.6	179.3	-172.8	172.1	-176.8	152.7	0	111.1	V18 T19 F21 V34 T51 L53 E54	V18-K32 CarbonylContact C-O 3.59Å; V18-K32 WeakPolarHBondContact CA-O 3.41Å; T19-K32 PolarHBondContact N-O 3.49Å; T19-K32 PolarHBondContact O-N 2.92Å; T19-K32 PolarHBondContact OG1-O 2.88Å; F21-K32 HydrophobicContact CE1-CB 3.85Å; F21-K32 HydrophobicContact CE1-CD 4.09Å; F21-K32 HydrophobicContact CZ-CD 4.38Å; K32-V34 HydrophobicContact CD-CG2 4.46Å; K32-V34 HydrophobicContact CG-CG2 4.23Å; K32-T51 HydrophobicContact CD-CG2 4.4Å; K32-T51 WeakPolarHBondContact CE-OG1 3.35Å; K32-T51 HydrophobicContact CG-CG2 3.99Å; K32-T51 PolarHBondContact NZ-OG1 2.93Å; K32-L53 CarbonylContact C-O 3.36Å; K32-L53 VanDerWaalsContact CA-O 3.29Å; K32-L53 WeakPolarHBondContact CA-O 3.44Å; K32-E54 IonicContact NZ-OE2 3.69Å; K32-E54 PolarHBondContact NZ-OE2 3.41Å
33	V	91	Very high	70.4	Confident	4 Å²	4	85 Å²	85	2%	0.024	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.4	174.2	-174.7	0	0	0	0	109.5	Q17 V18 M52 L53 L83	Q17-V33 WeakPolarHBondContact O-CA 3.3Å; V18-V33 HydrophobicContact CB-CG2 4.24Å; V18-V33 HydrophobicContact CG2-CG2 4.18Å; V33-M52 HydrophobicContact CB-CB 4.45Å; V33-M52 HydrophobicContact CG1-CB 4.4Å; V33-M52 HydrophobicContact CG1-SD 4.47Å; V33-M52 PolarHBondContact O-N 3.27Å; V33-L53 HydrophobicContact CB-CB 4Å; V33-L53 HydrophobicContact CG2-CB 4.03Å; V33-L53 HydrophobicContact CG2-CD2 4.23Å; V33-L53 PolarHBondContact N-O 2.93Å; V33-L53 PolarHBondContact O-N 3.29Å; V33-L83 HydrophobicContact CG2-CD2 3.77Å
34	V	86.1	Confident	68.4	Low	17 Å²	17	87.2 Å²	87.2	10%	0.103	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	179.5	-177.6	0	0	0	0	109.6	G16 Q17 K32 E36 I47	G16-V34 CarbonylContact C-O 3.44Å; G16-V34 WeakPolarHBondContact CA-O 3.48Å; Q17-V34 PolarHBondContact N-O 3.4Å; Q17-V34 PolarHBondContact O-N 2.79Å; K32-V34 HydrophobicContact CD-CG2 4.46Å; K32-V34 HydrophobicContact CG-CG2 4.23Å; V34-E36 PolarHBondContact O-N 3.31Å; V34-I47 HydrophobicContact CG1-CG2 4.2Å; V34-I47 HydrophobicContact CG2-CG2 4.41Å
35	N	81.1	Confident	67.1	Low	41 Å²	41	88.1 Å²	88.1	22%	0.219	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.2	-177.3	-167.7	-37.6	0	0	0	112.3	E37 N50 M52	N35-E37 PolarHBondContact OD1-N 3.24Å; N35-N50 PolarHBondContact N-O 3.06Å; N35-M52 VanDerWaalsContact CA-SD 3.59Å; N35-M52 HydrophobicContact CB-CG 3.88Å; N35-M52 HydrophobicContact CB-SD 3.6Å; N35-M52 VanDerWaalsContact CB-SD 3.6Å
36	E	70.7	Confident	65.3	Low	107 Å²	107	82.9 Å²	82.9	50%	0.5	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.9	-180	-160.4	-171.7	158.4	0	0	113.4	T15 V34 D38 G39	T15-E36 PolarHBondContact O-N 2.81Å; V34-E36 PolarHBondContact O-N 3.31Å; E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.87Å; E36-G39 PolarHBondContact O-N 2.81Å
37	E	60.6	Low	63.3	Low	162 Å²	162	85 Å²	85	76%	0.757	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-28	-176.8	-69.7	-164.4	155.9	0	0	113.2	N35	N35-E37 PolarHBondContact OD1-N 3.24Å
38	D	51.7	Low	61.5	Low	72 Å²	72	82.3 Å²	82.3	39%	0.385	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-22.4	177.8	-75.1	-31.7	0	0	0	113	E36 K40 K41	E36-D38 VanDerWaalsContact C-N 3.33Å; E36-D38 PolarHBondContact O-N 2.87Å; D38-K40 PolarHBondContact O-N 3.19Å; D38-K40 VanDerWaalsContact O-N 3.12Å; D38-K41 PolarHBondContact O-N 3.3Å
39	G	47.5	Very low	60.1	Low	57 Å²	57	82.3 Å²	82.3	59%	0.588	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.8	176.7	0	0	0	0	0	113.9	E36	E36-G39 PolarHBondContact O-N 2.81Å
40	K	43.8	Very low	59.3	Low	170 Å²	170	86.8 Å²	86.8	74%	0.739	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.9	-179.9	-69.2	180	-176.6	165.3	0	114.7	D38	D38-K40 PolarHBondContact O-N 3.19Å; D38-K40 VanDerWaalsContact O-N 3.12Å
41	K	40.4	Very low	58.9	Low	189 Å²	189	89.2 Å²	89.2	82%	0.822	50%	0.495	S	S	*	.	S	Bend	trans	-103.8	1.6	-173.9	-95	-175.7	-178.6	172.3	0	116.4	D38	D38-K41 PolarHBondContact O-N 3.3Å
42	V	34.8	Very low	58.4	Low	83 Å²	83	91.2 Å²	91.2	50%	0.503	51%	0.505	S	S	.	.			trans	-117.8	95.1	175.8	-170.6	0	0	0	0	109.7	C44	V42-C44 HydrophobicContact CG1-CB 4.08Å; V42-C44 PolarHBondContact O-N 2.94Å
43	A	43	Very low	58.3	Low	119 Å²	119	89.8 Å²	89.8	98%	0.983	50%	0.499	S	S	*	.			trans	-73.3	39.2	171.5	0	0	0	0	0	112.8
44	C	36.1	Very low	58.2	Low	80 Å²	80	94.3 Å²	94.3	54%	0.541	52%	0.52	S	S	.	.	S	Bend	trans	-140.7	133.4	174.7	-175.7	0	0	0	0	106.5	V42 C46	V42-C44 HydrophobicContact CG1-CB 4.08Å; V42-C44 PolarHBondContact O-N 2.94Å; C44-C46 PolarHBondContact O-N 3.39Å
45	N	45	Very low	58.4	Low	176 Å²	176	93.5 Å²	93.5	94%	0.941	52%	0.515	S	S	*	.	S	Bend	trans	-64.6	38.8	-175.2	-77.7	-9.6	0	0	0	114.8
46	C	36.4	Very low	58.8	Low	71 Å²	71	95.6 Å²	95.6	48%	0.48	52%	0.524	S	S	.	.			trans	-111.3	102.5	168.8	-54.8	0	0	0	0	106.6	C44 L48	C44-C46 PolarHBondContact O-N 3.39Å; C46-L48 HydrophobicContact CB-CD1 4.37Å; C46-L48 PolarHBondContact O-N 3.04Å
47	I	38.6	Very low	59.8	Low	143 Å²	143	90.8 Å²	90.8	73%	0.733	50%	0.502	S	S	*	.			trans	-69.1	71.8	168.9	-52.6	171.4	0	0	0	107.4	V34	V34-I47 HydrophobicContact CG1-CG2 4.2Å; V34-I47 HydrophobicContact CG2-CG2 4.41Å
48	L	41.6	Very low	60.9	Low	153 Å²	153	86.1 Å²	86.1	80%	0.801	48%	0.48	S	S	*	.			trans	-98.1	45.4	161.9	-84.1	154.8	0	0	0	107.6	C46	C46-L48 HydrophobicContact CB-CD1 4.37Å; C46-L48 PolarHBondContact O-N 3.04Å
49	G	54.1	Low	62.4	Low	10 Å²	10	90 Å²	90	10%	0.103	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-67.5	146.7	163.3	0	0	0	0	0	108.7	T51	G49-T51 PolarHBondContact O-N 3.2Å; G49-T51 VanDerWaalsContact O-N 3.07Å
50	N	71.4	Confident	64.1	Low	119 Å²	119	93.6 Å²	93.6	64%	0.636	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-59.9	119.1	-178.8	-150.1	17	0	0	0	108.9	N35 M52	N35-N50 PolarHBondContact N-O 3.06Å; N50-M52 PolarHBondContact O-N 3.26Å
51	T	80.6	Confident	66.2	Low	55 Å²	55	86.2 Å²	86.2	34%	0.337	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.1	-176.8	-61.9	0	0	0	0	108.1	K32 G49 L53 E54	K32-T51 HydrophobicContact CD-CG2 4.4Å; K32-T51 WeakPolarHBondContact CE-OG1 3.35Å; K32-T51 HydrophobicContact CG-CG2 3.99Å; K32-T51 PolarHBondContact NZ-OG1 2.93Å; G49-T51 PolarHBondContact O-N 3.2Å; G49-T51 VanDerWaalsContact O-N 3.07Å; T51-L53 WeakPolarHBondContact CG2-O 3.27Å; T51-E54 HydrophobicContact CG2-CB 3.99Å
52	M	82	Confident	68.6	Low	43 Å²	43	80.2 Å²	80.2	21%	0.212	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-35	-179.2	-65.2	-180	54	0	0	112	M1 K13 V33 N35 N50	M1-M52 HydrophobicContact CB-CE 4.36Å; M1-M52 HydrophobicContact SD-CB 4.2Å; M1-M52 HydrophobicContact SD-CE 4.28Å; K13-M52 VanDerWaalsContact C-CE 3.48Å; K13-M52 HydrophobicContact CB-CE 4.28Å; K13-M52 WeakPolarHBondContact O-CE 3.33Å; V33-M52 HydrophobicContact CB-CB 4.45Å; V33-M52 HydrophobicContact CG1-CB 4.4Å; V33-M52 HydrophobicContact CG1-SD 4.47Å; V33-M52 PolarHBondContact O-N 3.27Å; N35-M52 VanDerWaalsContact CA-SD 3.59Å; N35-M52 HydrophobicContact CB-CG 3.88Å; N35-M52 HydrophobicContact CB-SD 3.6Å; N35-M52 VanDerWaalsContact CB-SD 3.6Å; N50-M52 PolarHBondContact O-N 3.26Å
53	L	88.3	Confident	71.4	Confident	14 Å²	14	76.2 Å²	76.2	7%	0.073	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.2	176.9	179	58.8	0	0	0	108.9	M1 K32 V33 T51 W73 M81 L83	M1-L53 HydrophobicContact CE-CB 3.9Å; M1-L53 HydrophobicContact CE-CD1 4.2Å; M1-L53 HydrophobicContact CE-CD2 4.24Å; M1-L53 HydrophobicContact CE-CG 4.35Å; M1-L53 HydrophobicContact SD-CB 3.77Å; M1-L53 HydrophobicContact SD-CD2 4.4Å; K32-L53 CarbonylContact C-O 3.36Å; K32-L53 VanDerWaalsContact CA-O 3.29Å; K32-L53 WeakPolarHBondContact CA-O 3.44Å; V33-L53 HydrophobicContact CB-CB 4Å; V33-L53 HydrophobicContact CG2-CB 4.03Å; V33-L53 HydrophobicContact CG2-CD2 4.23Å; V33-L53 PolarHBondContact N-O 2.93Å; V33-L53 PolarHBondContact O-N 3.29Å; T51-L53 WeakPolarHBondContact CG2-O 3.27Å; L53-W73 HydrophobicContact CD2-CH2 3.8Å; L53-W73 HydrophobicContact CD2-CZ2 3.94Å; L53-M81 HydrophobicContact CD1-CE 3.3Å; L53-M81 HydrophobicContact CD2-CE 3.84Å; L53-M81 HydrophobicContact CG-CE 4.17Å; L53-L83 HydrophobicContact CD2-CD2 4.24Å
54	E	88.5	Confident	73.8	Confident	99 Å²	99	74.6 Å²	74.6	46%	0.463	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	104.6	162.6	-163.7	167.1	128.5	0	0	106.4	I30 L31 K32 T51	I30-E54 HydrophobicContact CG2-CG 3.43Å; I30-E54 VanDerWaalsContact CG2-CG 3.43Å; L31-E54 WeakPolarHBondContact O-CA 3.24Å; K32-E54 IonicContact NZ-OE2 3.69Å; K32-E54 PolarHBondContact NZ-OE2 3.41Å; T51-E54 HydrophobicContact CG2-CB 3.99Å
55	S	90.2	Very high	76.6	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.8	-176.1	173.2	0	0	0	0	109.2	I30 L31 E75	I30-S55 WeakPolarHBondContact CA-O 3.28Å; L31-S55 PolarHBondContact N-O 2.98Å; L31-S55 PolarHBondContact O-N 3.35Å; S55-E75 VanDerWaalsContact CB-OE1 3.28Å; S55-E75 WeakPolarHBondContact CB-OE1 3.33Å; S55-E75 PolarHBondContact OG-OE1 3.2Å
56	Q	89.7	Confident	78.6	Confident	84 Å²	84	66.8 Å²	66.8	39%	0.393	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.5	174.7	178.5	177.6	-25.3	0	0	109.6	A28 I30 Q58	A28-Q56 VanDerWaalsContact CB-CD 3.44Å; A28-Q56 HydrophobicContact CB-CG 3.71Å; A28-Q56 VanDerWaalsContact CB-NE2 3.35Å; I30-Q56 HydrophobicContact CD1-CB 3.78Å; I30-Q56 HydrophobicContact CD1-CG 4.08Å; Q56-Q58 PolarHBondContact O-N 3.45Å; Q56-Q58 VanDerWaalsContact O-N 3.15Å
57	V	90.7	Very high	80.8	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.036	37%	0.365	C	S	.	.			trans	-70.9	109.9	170.2	-175.4	0	0	0	0	108.7	V29 L31 Y63 I98 V101	V29-V57 HydrophobicContact CG1-CG2 4.14Å; V29-V57 PolarHBondContact O-N 3.16Å; L31-V57 HydrophobicContact CD1-CG2 4.01Å; L31-V57 HydrophobicContact CD2-CG2 4.44Å; L31-V57 HydrophobicContact CG-CG2 3.79Å; V57-Y63 WeakPolarHBondContact CA-OH 3.18Å; V57-Y63 HydrophobicContact CG1-CE2 4.18Å; V57-I98 HydrophobicContact CG1-CB 4.48Å; V57-I98 HydrophobicContact CG1-CG2 4.06Å; V57-I98 HydrophobicContact CG2-CG1 4.13Å; V57-V101 HydrophobicContact CB-CG1 4.17Å; V57-V101 HydrophobicContact CG1-CB 4.03Å; V57-V101 HydrophobicContact CG1-CG1 3.85Å
58	Q	85	Confident	83	Confident	65 Å²	65	66.1 Å²	66.1	30%	0.304	34%	0.337	S	S	.	.			trans	-97.2	154.8	-179.7	-55.9	-173.6	14	0	0	110.9	Q56 I61 Y63 Q102	Q56-Q58 PolarHBondContact O-N 3.45Å; Q56-Q58 VanDerWaalsContact O-N 3.15Å; Q58-I61 HydrophobicContact CB-CB 4.4Å; Q58-I61 HydrophobicContact CB-CD1 3.85Å; Q58-I61 HydrophobicContact CB-CG1 3.98Å; Q58-I61 HydrophobicContact CG-CD1 3.88Å; Q58-Y63 PolarHBondContact N-OH 3.37Å; Q58-Q102 PolarHBondContact O-NE2 2.72Å
59	Q	83	Confident	85.3	Confident	153 Å²	153	61 Å²	61	72%	0.715	31%	0.313	S	S	*	.	S	Bend	trans	-78.6	-25.7	-178	-77	-151.5	-30	0	0	114.2
60	D	83.3	Confident	87.1	Confident	133 Å²	133	62.3 Å²	62.3	71%	0.711	32%	0.317	S	S	*	.	S	Bend	trans	-95.5	-8.5	-174.4	55.8	-43.7	0	0	0	113.7
61	I	87.5	Confident	88.2	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.072	29%	0.287	C	S	.	.	S	Bend	trans	-84.2	131.6	174.6	-67	178.4	0	0	0	110	Q58 Y63 W73 E75 Q102	Q58-I61 HydrophobicContact CB-CB 4.4Å; Q58-I61 HydrophobicContact CB-CD1 3.85Å; Q58-I61 HydrophobicContact CB-CG1 3.98Å; Q58-I61 HydrophobicContact CG-CD1 3.88Å; I61-Y63 HydrophobicContact CB-CE2 3.86Å; I61-Y63 HydrophobicContact CG2-CD2 4.12Å; I61-Y63 HydrophobicContact CG2-CE1 4.37Å; I61-Y63 HydrophobicContact CG2-CE2 3.65Å; I61-Y63 WeakPolarHBondContact O-CD2 3.36Å; I61-W73 HydrophobicContact CG2-CB 3.87Å; I61-W73 HydrophobicContact CG2-CG 4.24Å; I61-E75 HydrophobicContact CD1-CG 3.98Å; I61-Q102 PolarHBondContact O-NE2 2.91Å
62	V	90.8	Very high	88.8	Confident	63 Å²	63	55 Å²	55	38%	0.382	28%	0.277	S	S	.	.			trans	-82	124.7	170.7	173.6	0	0	0	0	109.5	W73 Q112	V62-W73 WeakPolarHBondContact O-CB 3.43Å; V62-Q112 HydrophobicContact CG1-CB 3.71Å; V62-Q112 HydrophobicContact CG1-CG 4.46Å; V62-Q112 HydrophobicContact CG2-CB 4.03Å; V62-Q112 HydrophobicContact CG2-CG 4.13Å
63	Y	94.7	Very high	89.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.1	170	-62	-97.5	0	0	0	108.8	L31 V57 Q58 I61 I71 V72 W73 W95 I98 T110 T111	L31-Y63 HydrophobicContact CD1-CE1 4.46Å; V57-Y63 WeakPolarHBondContact CA-OH 3.18Å; V57-Y63 HydrophobicContact CG1-CE2 4.18Å; Q58-Y63 PolarHBondContact N-OH 3.37Å; I61-Y63 HydrophobicContact CB-CE2 3.86Å; I61-Y63 HydrophobicContact CG2-CD2 4.12Å; I61-Y63 HydrophobicContact CG2-CE1 4.37Å; I61-Y63 HydrophobicContact CG2-CE2 3.65Å; I61-Y63 WeakPolarHBondContact O-CD2 3.36Å; Y63-I71 HydrophobicContact CD1-CG2 4.45Å; Y63-V72 WeakPolarHBondContact CA-O 3.37Å; Y63-W73 HydrophobicContact CD1-CB 3.48Å; Y63-W73 VanDerWaalsContact CD1-CB 3.48Å; Y63-W73 AromaticContact CD1-CD2 3.83Å; Y63-W73 HydrophobicContact CD1-CD2 3.83Å; Y63-W73 AromaticContact CD1-CE3 3.98Å; Y63-W73 HydrophobicContact CD1-CE3 3.98Å; Y63-W73 AromaticContact CD1-CG 3.64Å; Y63-W73 HydrophobicContact CD1-CG 3.64Å; Y63-W73 HydrophobicContact CE1-CB 3.71Å; Y63-W73 AromaticContact CE1-CD1 3.75Å; Y63-W73 AromaticContact CE1-CD2 3.57Å; Y63-W73 HydrophobicContact CE1-CD2 3.57Å; Y63-W73 HydrophobicContact CE1-CE3 4.07Å; Y63-W73 AromaticContact CE1-CG 3.39Å; Y63-W73 HydrophobicContact CE1-CG 3.39Å; Y63-W73 HydrophobicContact CG-CB 4.05Å; Y63-W95 WeakPolarHBondContact O-CH2 3.45Å; Y63-I98 HydrophobicContact CD1-CD1 4.2Å; Y63-I98 HydrophobicContact CD1-CG2 4.19Å; Y63-I98 HydrophobicContact CD2-CG2 3.73Å; Y63-I98 HydrophobicContact CE2-CG2 4.22Å; Y63-I98 HydrophobicContact CG-CG2 3.74Å; Y63-T110 WeakPolarHBondContact O-CA 3.31Å; Y63-T111 PolarHBondContact N-OG1 2.61Å; Y63-T111 PolarHBondContact O-N 3.19Å; Y63-T111 PolarHBondContact O-OG1 3.21Å
64	Q	92.8	Very high	89.2	Confident	85 Å²	85	55.5 Å²	55.5	40%	0.397	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	178.7	-165	179.6	27.8	0	0	111	Q66 I71 V72 D109	Q64-Q66 HydrophobicContact CG-CG 4.15Å; Q64-I71 CarbonylContact O-C 3.45Å; Q64-I71 WeakPolarHBondContact O-CA 3.38Å; Q64-V72 PolarHBondContact N-O 2.98Å; Q64-V72 PolarHBondContact O-N 3.35Å; Q64-D109 CarbonylContact C-O 3.5Å; Q64-D109 WeakPolarHBondContact CA-O 3.01Å; Q64-D109 VanDerWaalsContact CG-O 3.27Å; Q64-D109 WeakPolarHBondContact CG-O 3.08Å
65	K	93.7	Very high	88.7	Confident	18 Å²	18	54.1 Å²	54.1	8%	0.078	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.8	167.5	-169.6	168.2	69.7	-177	0	109.3	L70 D92 W95 D109	K65-L70 CarbonylContact C-O 3.53Å; K65-L70 VanDerWaalsContact CA-O 3.23Å; K65-L70 WeakPolarHBondContact CA-O 3.19Å; K65-D92 IonicContact NZ-OD1 2.82Å; K65-D92 PolarHBondContact NZ-OD1 2.84Å; K65-W95 HydrophobicContact CB-CD2 3.87Å; K65-W95 HydrophobicContact CB-CE3 3.94Å; K65-W95 HydrophobicContact CB-CH2 4.05Å; K65-W95 HydrophobicContact CB-CZ2 3.99Å; K65-W95 HydrophobicContact CB-CZ3 4.01Å; K65-W95 HydrophobicContact CD-CB 4.27Å; K65-W95 HydrophobicContact CD-CD2 4.08Å; K65-W95 HydrophobicContact CD-CG 3.84Å; K65-W95 HydrophobicContact CG-CD2 4.49Å; K65-D109 HydrophobicContact CB-CB 4.5Å; K65-D109 WeakPolarHBondContact CE-OD1 3.24Å; K65-D109 PolarHBondContact N-O 3.03Å; K65-D109 WeakPolarHBondContact O-CB 3.46Å
66	Q	87.5	Confident	87.9	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.341	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.9	178.2	-60.5	-176.4	0.7	0	0	109.7	Q64 G68 T69 L70	Q64-Q66 HydrophobicContact CG-CG 4.15Å; Q66-G68 PolarHBondContact O-N 3.02Å; Q66-T69 PolarHBondContact O-N 3.33Å; Q66-L70 HydrophobicContact CB-CB 4.22Å; Q66-L70 HydrophobicContact CB-CD2 4.17Å; Q66-L70 PolarHBondContact N-O 3.09Å; Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 PolarHBondContact O-N 3.02Å; Q66-L70 VanDerWaalsContact O-N 3.08Å
67	Q	83.7	Confident	86.5	Confident	184 Å²	184	61.8 Å²	61.8	86%	0.86	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	22.9	175.5	-55.4	179.9	-3.5	0	0	114.4	T69	Q67-T69 PolarHBondContact O-N 3.18Å; Q67-T69 VanDerWaalsContact O-N 3.11Å; Q67-T69 PolarHBondContact O-OG1 2.91Å
68	G	83.8	Confident	85.4	Confident	16 Å²	16	66.9 Å²	66.9	17%	0.165	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	2.6	179	0	0	0	0	0	116.6	Q66	Q66-G68 PolarHBondContact O-N 3.02Å
69	T	90.3	Very high	85.2	Confident	46 Å²	46	67.6 Å²	67.6	28%	0.282	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	6.7	-176.9	51	0	0	0	0	113.4	Q66 Q67 S84 F85 K88	Q66-T69 PolarHBondContact O-N 3.33Å; Q67-T69 PolarHBondContact O-N 3.18Å; Q67-T69 VanDerWaalsContact O-N 3.11Å; Q67-T69 PolarHBondContact O-OG1 2.91Å; T69-S84 WeakPolarHBondContact O-CA 3.3Å; T69-F85 WeakPolarHBondContact O-CD2 3.41Å; T69-F85 PolarHBondContact O-N 2.94Å; T69-K88 HydrophobicContact CG2-CB 4.32Å
70	L	91.7	Very high	85.4	Confident	37 Å²	37	61.6 Å²	61.6	19%	0.194	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	180	-167.2	77.2	0	0	0	109.3	K65 Q66 V72 A82 L83	K65-L70 CarbonylContact C-O 3.53Å; K65-L70 VanDerWaalsContact CA-O 3.23Å; K65-L70 WeakPolarHBondContact CA-O 3.19Å; Q66-L70 HydrophobicContact CB-CB 4.22Å; Q66-L70 HydrophobicContact CB-CD2 4.17Å; Q66-L70 PolarHBondContact N-O 3.09Å; Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 PolarHBondContact O-N 3.02Å; Q66-L70 VanDerWaalsContact O-N 3.08Å; L70-V72 HydrophobicContact CD2-CG2 3.62Å; L70-V72 HydrophobicContact CG-CG2 3.83Å; L70-A82 HydrophobicContact CD1-CB 4.25Å; L70-L83 CarbonylContact C-O 3.58Å; L70-L83 VanDerWaalsContact CA-O 3.29Å; L70-L83 WeakPolarHBondContact CA-O 3.48Å
71	I	95.3	Very high	85.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.5	170	-59.9	174.2	0	0	0	108.1	Y63 Q64 W73 A82 L83 F85 V94 W95 I98	Y63-I71 HydrophobicContact CD1-CG2 4.45Å; Q64-I71 CarbonylContact O-C 3.45Å; Q64-I71 WeakPolarHBondContact O-CA 3.38Å; I71-W73 HydrophobicContact CG2-CE3 4.3Å; I71-W73 HydrophobicContact CG2-CZ3 4.48Å; I71-A82 CarbonylContact O-C 3.46Å; I71-A82 VanDerWaalsContact O-CA 3.31Å; I71-A82 WeakPolarHBondContact O-CA 3.36Å; I71-L83 PolarHBondContact N-O 3.1Å; I71-L83 PolarHBondContact O-N 2.7Å; I71-F85 HydrophobicContact CB-CE2 4.43Å; I71-F85 HydrophobicContact CD1-CE2 3.81Å; I71-F85 HydrophobicContact CD1-CZ 4.02Å; I71-F85 HydrophobicContact CG1-CE2 4.02Å; I71-V94 HydrophobicContact CD1-CB 4.3Å; I71-V94 HydrophobicContact CD1-CG1 4.03Å; I71-W95 HydrophobicContact CD1-CB 4.11Å; I71-W95 HydrophobicContact CD1-CE3 4.07Å; I71-W95 HydrophobicContact CG1-CE3 4.1Å; I71-W95 HydrophobicContact CG2-CE3 4.23Å; I71-W95 HydrophobicContact CG2-CZ3 4.22Å; I71-I98 HydrophobicContact CD1-CD1 4.27Å; I71-I98 HydrophobicContact CG2-CD1 4.11Å
72	V	92.8	Very high	86.1	Confident	21 Å²	21	55.2 Å²	55.2	13%	0.127	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	-175.2	-168.4	0	0	0	0	110.1	W10 Y63 Q64 L70 M81 A82	W10-V72 HydrophobicContact CH2-CG1 3.91Å; W10-V72 HydrophobicContact CZ2-CG1 4.26Å; Y63-V72 WeakPolarHBondContact CA-O 3.37Å; Q64-V72 PolarHBondContact N-O 2.98Å; Q64-V72 PolarHBondContact O-N 3.35Å; L70-V72 HydrophobicContact CD2-CG2 3.62Å; L70-V72 HydrophobicContact CG-CG2 3.83Å; V72-M81 VanDerWaalsContact CA-O 3.27Å; V72-M81 WeakPolarHBondContact CA-O 3.37Å; V72-M81 VanDerWaalsContact CG1-O 3.31Å; V72-M81 WeakPolarHBondContact CG1-O 3.45Å; V72-A82 HydrophobicContact CG1-CB 4.38Å; V72-A82 HydrophobicContact CG2-CB 3.96Å
73	W	93.8	Very high	86.2	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.2	173.4	72.2	100.3	0	0	0	111.7	L31 L53 I61 V62 Y63 I71 M81 L83	L31-W73 HydrophobicContact CD1-CH2 4.44Å; L53-W73 HydrophobicContact CD2-CH2 3.8Å; L53-W73 HydrophobicContact CD2-CZ2 3.94Å; I61-W73 HydrophobicContact CG2-CB 3.87Å; I61-W73 HydrophobicContact CG2-CG 4.24Å; V62-W73 WeakPolarHBondContact O-CB 3.43Å; Y63-W73 HydrophobicContact CD1-CB 3.48Å; Y63-W73 VanDerWaalsContact CD1-CB 3.48Å; Y63-W73 AromaticContact CD1-CD2 3.83Å; Y63-W73 HydrophobicContact CD1-CD2 3.83Å; Y63-W73 AromaticContact CD1-CE3 3.98Å; Y63-W73 HydrophobicContact CD1-CE3 3.98Å; Y63-W73 AromaticContact CD1-CG 3.64Å; Y63-W73 HydrophobicContact CD1-CG 3.64Å; Y63-W73 HydrophobicContact CE1-CB 3.71Å; Y63-W73 AromaticContact CE1-CD1 3.75Å; Y63-W73 AromaticContact CE1-CD2 3.57Å; Y63-W73 HydrophobicContact CE1-CD2 3.57Å; Y63-W73 HydrophobicContact CE1-CE3 4.07Å; Y63-W73 AromaticContact CE1-CG 3.39Å; Y63-W73 HydrophobicContact CE1-CG 3.39Å; Y63-W73 HydrophobicContact CG-CB 4.05Å; I71-W73 HydrophobicContact CG2-CE3 4.3Å; I71-W73 HydrophobicContact CG2-CZ3 4.48Å; W73-M81 HydrophobicContact CD2-CB 3.9Å; W73-M81 HydrophobicContact CE3-CB 4.17Å; W73-M81 HydrophobicContact CH2-CB 4.01Å; W73-M81 HydrophobicContact CZ2-CB 3.72Å; W73-M81 HydrophobicContact CZ2-CE 4.49Å; W73-M81 HydrophobicContact CZ2-CG 4.19Å; W73-M81 HydrophobicContact CZ3-CB 4.22Å; W73-M81 PolarHBondContact N-O 3.01Å; W73-M81 PolarHBondContact O-N 2.92Å; W73-L83 HydrophobicContact CH2-CD1 3.92Å; W73-L83 HydrophobicContact CH2-CG 3.89Å; W73-L83 HydrophobicContact CZ3-CD1 4.01Å; W73-L83 HydrophobicContact CZ3-CG 3.85Å
74	T	84.3	Confident	86.2	Confident	64 Å²	64	55.8 Å²	55.8	39%	0.393	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.4	177.5	-48.3	0	0	0	0	109.6	S76 N79 D80	T74-S76 WeakPolarHBondContact CG2-O 3.21Å; T74-N79 WeakPolarHBondContact CA-O 3.39Å; T74-D80 WeakPolarHBondContact CB-OD1 3.37Å; T74-D80 VanDerWaalsContact CG2-OD1 3.24Å; T74-D80 WeakPolarHBondContact CG2-OD1 3.47Å; T74-D80 PolarHBondContact OG1-OD1 3.28Å
75	E	77.5	Confident	86.2	Confident	69 Å²	69	52.8 Å²	52.8	32%	0.322	28%	0.282	S	S	.	.			trans	-90.8	-30.2	-174.2	-137.7	174.2	-146.9	0	0	113.2	S55 I61 N79	S55-E75 VanDerWaalsContact CB-OE1 3.28Å; S55-E75 WeakPolarHBondContact CB-OE1 3.33Å; S55-E75 PolarHBondContact OG-OE1 3.2Å; I61-E75 HydrophobicContact CD1-CG 3.98Å; E75-N79 HydrophobicContact CB-CB 4.42Å; E75-N79 PolarHBondContact N-O 2.92Å
76	S	74.1	Confident	86	Confident	59 Å²	59	61.5 Å²	61.5	41%	0.413	32%	0.323	S	S	.	.	S	Bend	trans	-156.6	171.5	176.6	62.7	0	0	0	0	110.4	T74 N78 N79	T74-S76 WeakPolarHBondContact CG2-O 3.21Å; S76-N78 PolarHBondContact O-N 3Å; S76-N79 PolarHBondContact O-N 2.8Å; S76-N79 PolarHBondContact OG-ND2 2.75Å
77	E	61	Low	85.9	Confident	188 Å²	188	62 Å²	62	88%	0.879	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	102.1	176.1	-69.1	-172.7	173.3	0	0	110.6
78	N	66.9	Low	86.1	Confident	112 Å²	112	59.4 Å²	59.4	60%	0.599	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	17.6	-176.6	-46.2	-51.9	0	0	0	118.7	S76	S76-N78 PolarHBondContact O-N 3Å
79	N	80.1	Confident	86.3	Confident	81 Å²	81	65 Å²	65	43%	0.433	34%	0.336	S	S	.	.			trans	-110.2	75.7	169.5	-80.6	-25.8	0	0	0	111.2	T74 E75 S76	T74-N79 WeakPolarHBondContact CA-O 3.39Å; E75-N79 HydrophobicContact CB-CB 4.42Å; E75-N79 PolarHBondContact N-O 2.92Å; S76-N79 PolarHBondContact O-N 2.8Å; S76-N79 PolarHBondContact OG-ND2 2.75Å
80	D	87.5	Confident	86	Confident	27 Å²	27	63.7 Å²	63.7	14%	0.144	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	174.4	-56.6	-64.6	0	0	0	110.5	M3 L4 R8 W10 T74	M3-D80 WeakPolarHBondContact CA-O 3.35Å; L4-D80 HydrophobicContact CB-CB 3.69Å; L4-D80 HydrophobicContact CD2-CB 4.15Å; L4-D80 VanDerWaalsContact CD2-OD2 3.26Å; L4-D80 WeakPolarHBondContact CD2-OD2 3.29Å; L4-D80 PolarHBondContact N-O 3.16Å; R8-D80 IonicContact NH1-OD2 2.77Å; W10-D80 HydrophobicContact CH2-CB 4.06Å; W10-D80 HydrophobicContact CZ3-CB 4.44Å; T74-D80 WeakPolarHBondContact CB-OD1 3.37Å; T74-D80 VanDerWaalsContact CG2-OD1 3.24Å; T74-D80 WeakPolarHBondContact CG2-OD1 3.47Å; T74-D80 PolarHBondContact OG1-OD1 3.28Å
81	M	91.8	Very high	86	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.3	-171.1	-60.5	-68.9	-78.1	0	0	110	M1 M3 L53 V72 W73	M1-M81 HydrophobicContact CE-CE 3.39Å; M3-M81 HydrophobicContact CB-SD 4.29Å; M3-M81 HydrophobicContact CG-CE 4.16Å; M3-M81 HydrophobicContact CG-SD 3.46Å; M3-M81 WeakPolarHBondContact CG-SD 3.2Å; M3-M81 HydrophobicContact SD-CE 3.94Å; M3-M81 HydrophobicContact SD-SD 3.44Å; L53-M81 HydrophobicContact CD1-CE 3.3Å; L53-M81 HydrophobicContact CD2-CE 3.84Å; L53-M81 HydrophobicContact CG-CE 4.17Å; V72-M81 VanDerWaalsContact CA-O 3.27Å; V72-M81 WeakPolarHBondContact CA-O 3.37Å; V72-M81 VanDerWaalsContact CG1-O 3.31Å; V72-M81 WeakPolarHBondContact CG1-O 3.45Å; W73-M81 HydrophobicContact CD2-CB 3.9Å; W73-M81 HydrophobicContact CE3-CB 4.17Å; W73-M81 HydrophobicContact CH2-CB 4.01Å; W73-M81 HydrophobicContact CZ2-CB 3.72Å; W73-M81 HydrophobicContact CZ2-CE 4.49Å; W73-M81 HydrophobicContact CZ2-CG 4.19Å; W73-M81 HydrophobicContact CZ3-CB 4.22Å; W73-M81 PolarHBondContact N-O 3.01Å; W73-M81 PolarHBondContact O-N 2.92Å
82	A	93.5	Very high	85.7	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.3	171.4	0	0	0	0	0	113.1	Y2 W10 L70 I71 V72	Y2-A82 PolarHBondContact N-O 2.84Å; Y2-A82 PolarHBondContact O-N 3.17Å; W10-A82 HydrophobicContact CE3-CB 4.35Å; W10-A82 HydrophobicContact CH2-CB 3.94Å; W10-A82 HydrophobicContact CZ3-CB 3.81Å; L70-A82 HydrophobicContact CD1-CB 4.25Å; I71-A82 CarbonylContact O-C 3.46Å; I71-A82 VanDerWaalsContact O-CA 3.31Å; I71-A82 WeakPolarHBondContact O-CA 3.36Å; V72-A82 HydrophobicContact CG1-CB 4.38Å; V72-A82 HydrophobicContact CG2-CB 3.96Å
83	L	94.5	Very high	85.6	Confident	9 Å²	9	67.9 Å²	67.9	5%	0.047	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	169.7	-64.9	178.3	0	0	0	109	M1 V18 V33 L53 L70 I71 W73 F85	M1-L83 HydrophobicContact CB-CD2 4.22Å; M1-L83 HydrophobicContact CG-CD2 4.17Å; V18-L83 HydrophobicContact CG2-CD1 4.23Å; V33-L83 HydrophobicContact CG2-CD2 3.77Å; L53-L83 HydrophobicContact CD2-CD2 4.24Å; L70-L83 CarbonylContact C-O 3.58Å; L70-L83 VanDerWaalsContact CA-O 3.29Å; L70-L83 WeakPolarHBondContact CA-O 3.48Å; I71-L83 PolarHBondContact N-O 3.1Å; I71-L83 PolarHBondContact O-N 2.7Å; W73-L83 HydrophobicContact CH2-CD1 3.92Å; W73-L83 HydrophobicContact CH2-CG 3.89Å; W73-L83 HydrophobicContact CZ3-CD1 4.01Å; W73-L83 HydrophobicContact CZ3-CG 3.85Å; L83-F85 HydrophobicContact CB-CD2 4.41Å; L83-F85 HydrophobicContact CB-CE2 3.68Å; L83-F85 HydrophobicContact CB-CZ 4.23Å; L83-F85 HydrophobicContact CD1-CZ 4.47Å
84	S	93.2	Very high	85.5	Confident	66 Å²	66	68.1 Å²	68.1	46%	0.462	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	172.6	-179.3	0	0	0	0	108.6	T69	T69-S84 WeakPolarHBondContact O-CA 3.3Å
85	F	93.7	Very high	86	Confident	23 Å²	23	65.1 Å²	65.1	10%	0.101	33%	0.333	C	S	.	.			trans	-101.1	144.5	-175.7	-65.8	-106.2	0	0	0	110	V18 T69 I71 L83 D87 G90 C91 V94	V18-F85 HydrophobicContact CG1-CD1 4.19Å; V18-F85 HydrophobicContact CG1-CE1 3.49Å; V18-F85 VanDerWaalsContact CG1-CE1 3.49Å; V18-F85 HydrophobicContact CG1-CZ 4.2Å; T69-F85 WeakPolarHBondContact O-CD2 3.41Å; T69-F85 PolarHBondContact O-N 2.94Å; I71-F85 HydrophobicContact CB-CE2 4.43Å; I71-F85 HydrophobicContact CD1-CE2 3.81Å; I71-F85 HydrophobicContact CD1-CZ 4.02Å; I71-F85 HydrophobicContact CG1-CE2 4.02Å; L83-F85 HydrophobicContact CB-CD2 4.41Å; L83-F85 HydrophobicContact CB-CE2 3.68Å; L83-F85 HydrophobicContact CB-CZ 4.23Å; L83-F85 HydrophobicContact CD1-CZ 4.47Å; F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 WeakPolarHBondContact CB-O 3.38Å; F85-G90 VanDerWaalsContact CE1-O 3.3Å; F85-G90 WeakPolarHBondContact CE1-O 3.37Å; F85-C91 HydrophobicContact CB-CB 3.84Å; F85-C91 HydrophobicContact CD1-CB 4.07Å; F85-C91 HydrophobicContact CD2-CB 3.77Å; F85-C91 HydrophobicContact CE2-CB 4.33Å; F85-C91 HydrophobicContact CG-CB 3.63Å; F85-V94 HydrophobicContact CE1-CB 4.07Å; F85-V94 HydrophobicContact CE1-CG2 3.76Å; F85-V94 HydrophobicContact CZ-CB 3.86Å; F85-V94 HydrophobicContact CZ-CG1 4.07Å; F85-V94 HydrophobicContact CZ-CG2 3.97Å
86	Q	88.2	Confident	86.7	Confident	200 Å²	200	67.1 Å²	67.1	94%	0.935	34%	0.343	S	S	*	.	S	Bend	trans	-69.9	-34.5	177.4	-175.3	176.4	-0.4	0	0	111.8
87	D	87.4	Confident	87.4	Confident	85 Å²	85	66.3 Å²	66.3	46%	0.455	34%	0.337	S	S	.	.	S	Bend	trans	-129.4	156.2	178.5	69.9	84.3	0	0	0	111.5	F85 Q89 G90	F85-D87 VanDerWaalsContact C-N 3.33Å; F85-D87 WeakPolarHBondContact CB-O 3.38Å; D87-Q89 WeakPolarHBondContact OD1-CA 3.47Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.46Å; D87-Q89 PolarHBondContact OD1-N 3.28Å; D87-G90 PolarHBondContact OD1-N 2.87Å
88	K	87.1	Confident	88.8	Confident	128 Å²	128	57.4 Å²	57.4	56%	0.557	30%	0.295	S	S	*	.	H	α-helix	trans	-69.1	-33.6	-178.3	176.7	173.9	178.2	-174.4	0	112.4	T69 C91 D92	T69-K88 HydrophobicContact CG2-CB 4.32Å; K88-C91 WeakPolarHBondContact O-CB 3.33Å; K88-C91 PolarHBondContact O-N 3.4Å; K88-D92 WeakPolarHBondContact CE-OD2 3.37Å; K88-D92 WeakPolarHBondContact CG-OD2 3.15Å; K88-D92 WeakPolarHBondContact O-CB 3.38Å; K88-D92 PolarHBondContact O-N 3.32Å
89	Q	87.4	Confident	89.9	Confident	134 Å²	134	52 Å²	52	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-49.3	-175.8	-179.5	-176.9	-11.1	0	0	110.9	D87 C91 D92 E93	D87-Q89 WeakPolarHBondContact OD1-CA 3.47Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.46Å; D87-Q89 PolarHBondContact OD1-N 3.28Å; Q89-C91 PolarHBondContact O-N 3.27Å; Q89-D92 PolarHBondContact O-N 2.88Å; Q89-D92 VanDerWaalsContact O-N 3.13Å; Q89-E93 PolarHBondContact NE2-OE1 3.45Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.15Å; Q89-E93 WeakPolarHBondContact O-CG 3.27Å; Q89-E93 PolarHBondContact O-N 3.44Å
90	G	85.1	Confident	90.2	Very high	18 Å²	18	56.8 Å²	56.8	19%	0.186	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-32.6	176.2	0	0	0	0	0	112.9	F85 D87 V94	F85-G90 VanDerWaalsContact CE1-O 3.3Å; F85-G90 WeakPolarHBondContact CE1-O 3.37Å; D87-G90 PolarHBondContact OD1-N 2.87Å; G90-V94 WeakPolarHBondContact O-CG2 3.45Å; G90-V94 PolarHBondContact O-N 3.42Å
91	C	91.3	Very high	90.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-46.5	172.4	-171.7	0	0	0	0	111.6	F85 K88 Q89 V94 W95	F85-C91 HydrophobicContact CB-CB 3.84Å; F85-C91 HydrophobicContact CD1-CB 4.07Å; F85-C91 HydrophobicContact CD2-CB 3.77Å; F85-C91 HydrophobicContact CE2-CB 4.33Å; F85-C91 HydrophobicContact CG-CB 3.63Å; K88-C91 WeakPolarHBondContact O-CB 3.33Å; K88-C91 PolarHBondContact O-N 3.4Å; Q89-C91 PolarHBondContact O-N 3.27Å; C91-V94 PolarHBondContact O-N 3.12Å; C91-W95 VanDerWaalsContact O-CB 3.24Å; C91-W95 WeakPolarHBondContact O-CB 3.35Å; C91-W95 PolarHBondContact O-N 2.88Å
92	D	89.6	Confident	89.9	Confident	40 Å²	40	58.1 Å²	58.1	21%	0.214	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-38.4	-178.7	-75.2	-29.1	0	0	0	111.3	K65 K88 Q89 V94 W95 E96	K65-D92 IonicContact NZ-OD1 2.82Å; K65-D92 PolarHBondContact NZ-OD1 2.84Å; K88-D92 WeakPolarHBondContact CE-OD2 3.37Å; K88-D92 WeakPolarHBondContact CG-OD2 3.15Å; K88-D92 WeakPolarHBondContact O-CB 3.38Å; K88-D92 PolarHBondContact O-N 3.32Å; Q89-D92 PolarHBondContact O-N 2.88Å; Q89-D92 VanDerWaalsContact O-N 3.13Å; D92-V94 PolarHBondContact O-N 3.19Å; D92-W95 PolarHBondContact O-N 3.13Å; D92-E96 WeakPolarHBondContact O-CB 3.29Å; D92-E96 WeakPolarHBondContact O-CG 3.42Å; D92-E96 PolarHBondContact O-N 3.02Å
93	E	89.7	Confident	89.4	Confident	106 Å²	106	61.2 Å²	61.2	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.7	-73	174.8	-166.7	0	0	112.9	Q89 S97	Q89-E93 PolarHBondContact NE2-OE1 3.45Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.15Å; Q89-E93 WeakPolarHBondContact O-CG 3.27Å; Q89-E93 PolarHBondContact O-N 3.44Å; E93-S97 PolarHBondContact O-N 3.04Å; E93-S97 PolarHBondContact O-OG 2.79Å
94	V	92.5	Very high	89	Confident	10 Å²	10	64 Å²	64	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-39.9	176.2	175.2	0	0	0	0	110.7	V18 L31 I71 F85 G90 C91 D92 S97 I98	V18-V94 HydrophobicContact CG1-CG2 4.12Å; V18-V94 HydrophobicContact CG2-CG2 4.15Å; L31-V94 HydrophobicContact CD2-CG1 3.6Å; I71-V94 HydrophobicContact CD1-CB 4.3Å; I71-V94 HydrophobicContact CD1-CG1 4.03Å; F85-V94 HydrophobicContact CE1-CB 4.07Å; F85-V94 HydrophobicContact CE1-CG2 3.76Å; F85-V94 HydrophobicContact CZ-CB 3.86Å; F85-V94 HydrophobicContact CZ-CG1 4.07Å; F85-V94 HydrophobicContact CZ-CG2 3.97Å; G90-V94 WeakPolarHBondContact O-CG2 3.45Å; G90-V94 PolarHBondContact O-N 3.42Å; C91-V94 PolarHBondContact O-N 3.12Å; D92-V94 PolarHBondContact O-N 3.19Å; V94-S97 WeakPolarHBondContact O-CB 3.13Å; V94-S97 PolarHBondContact O-N 3.28Å; V94-I98 HydrophobicContact CG1-CD1 4.03Å; V94-I98 WeakPolarHBondContact O-CG1 3.4Å; V94-I98 PolarHBondContact O-N 3.41Å
95	W	94.4	Very high	88.3	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-48	176.5	-175.9	-112.5	0	0	0	112.1	Y63 K65 I71 C91 D92 S97 I98 C99 P106 F108 T111	Y63-W95 WeakPolarHBondContact O-CH2 3.45Å; K65-W95 HydrophobicContact CB-CD2 3.87Å; K65-W95 HydrophobicContact CB-CE3 3.94Å; K65-W95 HydrophobicContact CB-CH2 4.05Å; K65-W95 HydrophobicContact CB-CZ2 3.99Å; K65-W95 HydrophobicContact CB-CZ3 4.01Å; K65-W95 HydrophobicContact CD-CB 4.27Å; K65-W95 HydrophobicContact CD-CD2 4.08Å; K65-W95 HydrophobicContact CD-CG 3.84Å; K65-W95 HydrophobicContact CG-CD2 4.49Å; I71-W95 HydrophobicContact CD1-CB 4.11Å; I71-W95 HydrophobicContact CD1-CE3 4.07Å; I71-W95 HydrophobicContact CG1-CE3 4.1Å; I71-W95 HydrophobicContact CG2-CE3 4.23Å; I71-W95 HydrophobicContact CG2-CZ3 4.22Å; C91-W95 VanDerWaalsContact O-CB 3.24Å; C91-W95 WeakPolarHBondContact O-CB 3.35Å; C91-W95 PolarHBondContact O-N 2.88Å; D92-W95 PolarHBondContact O-N 3.13Å; W95-S97 VanDerWaalsContact C-N 3.26Å; W95-S97 PolarHBondContact O-N 3.01Å; W95-I98 PolarHBondContact O-N 3.39Å; W95-I98 VanDerWaalsContact O-N 3.17Å; W95-C99 VanDerWaalsContact CE2-SG 3.55Å; W95-C99 WeakPolarHBondContact O-CB 3.5Å; W95-C99 PolarHBondContact O-N 2.99Å; W95-C99 PolarHBondContact O-SG 3.29Å; W95-C99 VanDerWaalsContact O-SG 3.38Å; W95-P106 PolarHBondContact NE1-O 3.48Å; W95-F108 WeakPolarHBondContact CZ2-O 3.37Å; W95-F108 PolarHBondContact NE1-O 3.49Å; W95-T111 HydrophobicContact CH2-CG2 3.8Å; W95-T111 HydrophobicContact CZ2-CG2 4.25Å; W95-T111 HydrophobicContact CZ3-CG2 4.43Å
96	E	91	Very high	87.8	Confident	111 Å²	111	65.7 Å²	65.7	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-56.7	-40.9	174.9	-78.1	-178.1	-175.1	0	0	112	D92 K100 P106	D92-E96 WeakPolarHBondContact O-CB 3.29Å; D92-E96 WeakPolarHBondContact O-CG 3.42Å; D92-E96 PolarHBondContact O-N 3.02Å; E96-K100 WeakPolarHBondContact O-CB 3.5Å; E96-K100 PolarHBondContact O-N 2.71Å; E96-P106 HydrophobicContact CB-CB 4.41Å; E96-P106 HydrophobicContact CG-CB 3.71Å; E96-P106 HydrophobicContact CG-CG 3.95Å
97	S	88.6	Confident	87.3	Confident	42 Å²	42	59.9 Å²	59.9	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-43.4	177.5	-60.9	0	0	0	0	112.3	C20 E93 V94 W95 K100 V101	C20-S97 WeakPolarHBondContact SG-CB 3.5Å; E93-S97 PolarHBondContact O-N 3.04Å; E93-S97 PolarHBondContact O-OG 2.79Å; V94-S97 WeakPolarHBondContact O-CB 3.13Å; V94-S97 PolarHBondContact O-N 3.28Å; W95-S97 VanDerWaalsContact C-N 3.26Å; W95-S97 PolarHBondContact O-N 3.01Å; S97-K100 PolarHBondContact O-N 3.21Å; S97-V101 VanDerWaalsContact O-CG2 3.28Å; S97-V101 WeakPolarHBondContact O-CG2 3.26Å; S97-V101 PolarHBondContact O-N 3.27Å
98	I	92	Very high	87.1	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-50.8	176	-67.7	166	0	0	0	110.2	L31 V57 Y63 I71 V94 W95 K100 V101 Q102	L31-I98 HydrophobicContact CD1-CD1 3.91Å; L31-I98 HydrophobicContact CD1-CG1 4.22Å; L31-I98 HydrophobicContact CD2-CD1 4.34Å; L31-I98 HydrophobicContact CD2-CG1 4.29Å; V57-I98 HydrophobicContact CG1-CB 4.48Å; V57-I98 HydrophobicContact CG1-CG2 4.06Å; V57-I98 HydrophobicContact CG2-CG1 4.13Å; Y63-I98 HydrophobicContact CD1-CD1 4.2Å; Y63-I98 HydrophobicContact CD1-CG2 4.19Å; Y63-I98 HydrophobicContact CD2-CG2 3.73Å; Y63-I98 HydrophobicContact CE2-CG2 4.22Å; Y63-I98 HydrophobicContact CG-CG2 3.74Å; I71-I98 HydrophobicContact CD1-CD1 4.27Å; I71-I98 HydrophobicContact CG2-CD1 4.11Å; V94-I98 HydrophobicContact CG1-CD1 4.03Å; V94-I98 WeakPolarHBondContact O-CG1 3.4Å; V94-I98 PolarHBondContact O-N 3.41Å; W95-I98 PolarHBondContact O-N 3.39Å; W95-I98 VanDerWaalsContact O-N 3.17Å; I98-K100 VanDerWaalsContact C-N 3.32Å; I98-K100 PolarHBondContact O-N 2.9Å; I98-V101 PolarHBondContact O-N 3.33Å; I98-V101 VanDerWaalsContact O-N 3.15Å; I98-Q102 PolarHBondContact O-N 2.94Å; I98-Q102 VanDerWaalsContact O-N 3.1Å
99	C	89.7	Confident	87.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-42.6	178.6	-72.9	0	0	0	0	111.7	W95 V101 Q102 G103 K104 P106	W95-C99 VanDerWaalsContact CE2-SG 3.55Å; W95-C99 WeakPolarHBondContact O-CB 3.5Å; W95-C99 PolarHBondContact O-N 2.99Å; W95-C99 PolarHBondContact O-SG 3.29Å; W95-C99 VanDerWaalsContact O-SG 3.38Å; C99-V101 VanDerWaalsContact C-N 3.32Å; C99-V101 PolarHBondContact O-N 3.05Å; C99-Q102 CarbonylContact O-C 3.59Å; C99-Q102 PolarHBondContact O-N 3.23Å; C99-G103 WeakPolarHBondContact O-CA 3.47Å; C99-G103 PolarHBondContact O-N 3.19Å; C99-K104 HydrophobicContact CB-CB 4.41Å; C99-K104 WeakPolarHBondContact CB-O 3.22Å; C99-K104 PolarHBondContact O-N 3.02Å; C99-P106 HydrophobicContact CB-CB 4.02Å
100	K	86.1	Confident	87.2	Confident	180 Å²	180	56 Å²	56	78%	0.783	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-39.9	176.4	-176.5	177.4	-177.4	175.1	0	112.6	E96 S97 I98 G103	E96-K100 WeakPolarHBondContact O-CB 3.5Å; E96-K100 PolarHBondContact O-N 2.71Å; S97-K100 PolarHBondContact O-N 3.21Å; I98-K100 VanDerWaalsContact C-N 3.32Å; I98-K100 PolarHBondContact O-N 2.9Å; K100-G103 PolarHBondContact O-N 3.27Å
101	V	85.4	Confident	87.3	Confident	44 Å²	44	55.6 Å²	55.6	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-38.7	177.6	173.6	0	0	0	0	111.8	V29 V57 S97 I98 C99 G103	V29-V101 HydrophobicContact CB-CG2 3.6Å; V29-V101 HydrophobicContact CG1-CG2 3.97Å; V29-V101 HydrophobicContact CG2-CG2 3.39Å; V57-V101 HydrophobicContact CB-CG1 4.17Å; V57-V101 HydrophobicContact CG1-CB 4.03Å; V57-V101 HydrophobicContact CG1-CG1 3.85Å; S97-V101 VanDerWaalsContact O-CG2 3.28Å; S97-V101 WeakPolarHBondContact O-CG2 3.26Å; S97-V101 PolarHBondContact O-N 3.27Å; I98-V101 PolarHBondContact O-N 3.33Å; I98-V101 VanDerWaalsContact O-N 3.15Å; C99-V101 VanDerWaalsContact C-N 3.32Å; C99-V101 PolarHBondContact O-N 3.05Å; V101-G103 VanDerWaalsContact C-N 3.35Å
102	Q	88	Confident	86.8	Confident	20 Å²	20	59.8 Å²	59.8	9%	0.093	32%	0.323	C	S	.	.	H	α-helix	trans	-85	-5.4	177.9	-64.3	-166.3	-32	0	0	113.9	Q58 I61 I98 C99 K104 T111	Q58-Q102 PolarHBondContact O-NE2 2.72Å; I61-Q102 PolarHBondContact O-NE2 2.91Å; I98-Q102 PolarHBondContact O-N 2.94Å; I98-Q102 VanDerWaalsContact O-N 3.1Å; C99-Q102 CarbonylContact O-C 3.59Å; C99-Q102 PolarHBondContact O-N 3.23Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 HydrophobicContact CB-CG 3.87Å; Q102-K104 PolarHBondContact O-N 3.08Å; Q102-T111 PolarHBondContact OE1-OG1 3.24Å
103	G	82	Confident	85.8	Confident	69 Å²	69	63 Å²	63	71%	0.711	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	28.8	-174.6	0	0	0	0	0	113.6	C99 K100 V101	C99-G103 WeakPolarHBondContact O-CA 3.47Å; C99-G103 PolarHBondContact O-N 3.19Å; K100-G103 PolarHBondContact O-N 3.27Å; V101-G103 VanDerWaalsContact C-N 3.35Å
104	K	85.9	Confident	84.1	Confident	66 Å²	66	63 Å²	63	29%	0.287	36%	0.358	S	S	.	.			trans	-100.2	157.9	179.2	-59	-63.7	-173.1	178.6	0	110.7	C99 Q102 T111 D113	C99-K104 HydrophobicContact CB-CB 4.41Å; C99-K104 WeakPolarHBondContact CB-O 3.22Å; C99-K104 PolarHBondContact O-N 3.02Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 HydrophobicContact CB-CG 3.87Å; Q102-K104 PolarHBondContact O-N 3.08Å; K104-T111 HydrophobicContact CB-CG2 4.49Å; K104-T111 WeakPolarHBondContact CE-O 3.3Å; K104-T111 HydrophobicContact CG-CG2 4.42Å; K104-D113 VanDerWaalsContact NZ-CG 3.25Å; K104-D113 IonicContact NZ-OD1 3.61Å; K104-D113 PolarHBondContact NZ-OD1 3.32Å; K104-D113 IonicContact NZ-OD2 3.42Å; K104-D113 PolarHBondContact NZ-OD2 3.24Å; K104-D113 VanDerWaalsContact NZ-OD2 3.16Å
105	D	78.3	Confident	81.7	Confident	85 Å²	85	69.1 Å²	69.1	46%	0.455	39%	0.391	S	S	.	.			trans	-82.3	122	176.6	177.6	-0.1	0	0	0	110.2	S107 F108	D105-S107 PolarHBondContact O-N 2.79Å; D105-S107 VanDerWaalsContact OD1-CB 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.89Å; D105-S107 PolarHBondContact OD1-OG 3.42Å; D105-S107 VanDerWaalsContact OD1-OG 3.06Å; D105-S107 PolarHBondContact OD2-OG 3.33Å; D105-F108 HydrophobicContact CB-CD2 3.86Å; D105-F108 HydrophobicContact CB-CE2 4.06Å; D105-F108 PolarHBondContact O-N 3.25Å
106	P	83.5	Confident	79.1	Confident	40 Å²	40	72.6 Å²	72.6	26%	0.26	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.1	179.2	28.9	-36.5	0	0	0	114.8	W95 E96 C99 F108	W95-P106 PolarHBondContact NE1-O 3.48Å; E96-P106 HydrophobicContact CB-CB 4.41Å; E96-P106 HydrophobicContact CG-CB 3.71Å; E96-P106 HydrophobicContact CG-CG 3.95Å; C99-P106 HydrophobicContact CB-CB 4.02Å; P106-F108 PolarHBondContact O-N 3.08Å
107	S	78.7	Confident	76.2	Confident	79 Å²	79	74.1 Å²	74.1	55%	0.552	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.8	173.8	75.2	0	0	0	0	113.1	D105	D105-S107 PolarHBondContact O-N 2.79Å; D105-S107 VanDerWaalsContact OD1-CB 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.89Å; D105-S107 PolarHBondContact OD1-OG 3.42Å; D105-S107 VanDerWaalsContact OD1-OG 3.06Å; D105-S107 PolarHBondContact OD2-OG 3.33Å
108	F	83.6	Confident	73.4	Confident	130 Å²	130	78 Å²	78	57%	0.57	45%	0.454	S	S	*	.	S	Bend	trans	-84.7	152	174.4	-64.6	-84.5	0	0	0	111.4	W95 D105 P106	W95-F108 WeakPolarHBondContact CZ2-O 3.37Å; W95-F108 PolarHBondContact NE1-O 3.49Å; D105-F108 HydrophobicContact CB-CD2 3.86Å; D105-F108 HydrophobicContact CB-CE2 4.06Å; D105-F108 PolarHBondContact O-N 3.25Å; P106-F108 PolarHBondContact O-N 3.08Å
109	D	87.7	Confident	70.4	Confident	89 Å²	89	84.5 Å²	84.5	48%	0.476	49%	0.493	S	S	.	.	S	Bend	trans	-88.9	0	179.5	-79.2	-26.9	0	0	0	113.1	Q64 K65	Q64-D109 CarbonylContact C-O 3.5Å; Q64-D109 WeakPolarHBondContact CA-O 3.01Å; Q64-D109 VanDerWaalsContact CG-O 3.27Å; Q64-D109 WeakPolarHBondContact CG-O 3.08Å; K65-D109 HydrophobicContact CB-CB 4.5Å; K65-D109 WeakPolarHBondContact CE-OD1 3.24Å; K65-D109 PolarHBondContact N-O 3.03Å; K65-D109 WeakPolarHBondContact O-CB 3.46Å
110	T	88.3	Confident	67.5	Low	47 Å²	47	89.9 Å²	89.9	29%	0.288	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-142.3	146.8	175.8	-173.1	0	0	0	0	110.4	Y63 Q112	Y63-T110 WeakPolarHBondContact O-CA 3.31Å; T110-Q112 VanDerWaalsContact C-N 3.31Å; T110-Q112 HydrophobicContact CG2-CB 4.28Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.45Å; T110-Q112 PolarHBondContact OG1-N 2.86Å
111	T	86.4	Confident	64.8	Low	8 Å²	8	88.5 Å²	88.5	5%	0.049	53%	0.532	C	S	.	.	S	Bend	trans	-88.7	-2.7	170.8	68.5	0	0	0	0	112.8	Y63 W95 Q102 K104	Y63-T111 PolarHBondContact N-OG1 2.61Å; Y63-T111 PolarHBondContact O-N 3.19Å; Y63-T111 PolarHBondContact O-OG1 3.21Å; W95-T111 HydrophobicContact CH2-CG2 3.8Å; W95-T111 HydrophobicContact CZ2-CG2 4.25Å; W95-T111 HydrophobicContact CZ3-CG2 4.43Å; Q102-T111 PolarHBondContact OE1-OG1 3.24Å; K104-T111 HydrophobicContact CB-CG2 4.49Å; K104-T111 WeakPolarHBondContact CE-O 3.3Å; K104-T111 HydrophobicContact CG-CG2 4.42Å
112	Q	81.4	Confident	62.2	Low	89 Å²	89	93.8 Å²	93.8	42%	0.416	56%	0.559	S	S	.	*	S	Bend	trans	-70.7	134	173.7	-164.4	173	-5.5	0	0	111.3	V62 T110 A114 S116	V62-Q112 HydrophobicContact CG1-CB 3.71Å; V62-Q112 HydrophobicContact CG1-CG 4.46Å; V62-Q112 HydrophobicContact CG2-CB 4.03Å; V62-Q112 HydrophobicContact CG2-CG 4.13Å; T110-Q112 VanDerWaalsContact C-N 3.31Å; T110-Q112 HydrophobicContact CG2-CB 4.28Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.45Å; T110-Q112 PolarHBondContact OG1-N 2.86Å; Q112-A114 PolarHBondContact O-N 3.23Å; Q112-S116 PolarHBondContact NE2-OG 3.03Å
113	D	68.7	Low	59.4	Low	108 Å²	108	100.6 Å²	100.6	58%	0.578	60%	0.596	S	S	*	*			trans	-69.8	127.3	173.9	-66.4	-43.4	0	0	0	110.2	K104 N115	K104-D113 VanDerWaalsContact NZ-CG 3.25Å; K104-D113 IonicContact NZ-OD1 3.61Å; K104-D113 PolarHBondContact NZ-OD1 3.32Å; K104-D113 IonicContact NZ-OD2 3.42Å; K104-D113 PolarHBondContact NZ-OD2 3.24Å; K104-D113 VanDerWaalsContact NZ-OD2 3.16Å; D113-N115 PolarHBondContact O-N 2.8Å
114	A	52.9	Low	56.8	Low	104 Å²	104	104.6 Å²	104.6	86%	0.86	61%	0.606	S	S	*	*	S	Bend	trans	-66.7	16.7	-171.5	0	0	0	0	0	116.1	Q112	Q112-A114 PolarHBondContact O-N 3.23Å
115	N	43.5	Very low	54.2	Low	139 Å²	139	104 Å²	104	74%	0.743	62%	0.619	S	S	*	*			trans	-116.1	28.8	-173.8	-84.7	-14.4	0	0	0	114.9	D113	D113-N115 PolarHBondContact O-N 2.8Å
116	S	38.7	Very low	51.9	Low	74 Å²	74	108.9 Å²	108.9	52%	0.517	64%	0.639	S	S	.	*	S	Bend	trans	-111.8	-8.5	177.1	47.8	0	0	0	0	117.4	Q112	Q112-S116 PolarHBondContact NE2-OG 3.03Å
117	D	31.8	Very low	49.7	Very low	143 Å²	143	115.2 Å²	115.2	77%	0.765	67%	0.671	S	S	*	*			trans	-129.2	78.5	-179.2	-76.5	-34.8	0	0	0	113.3
118	S	29.7	Very low	47.2	Very low	123 Å²	123	114.3 Å²	114.3	86%	0.86	67%	0.674	S	S	*	*			trans	-132	78.1	149.6	54.8	0	0	0	0	109.2
119	V	28.2	Very low	44.7	Very low	137 Å²	137	112.6 Å²	112.6	83%	0.83	68%	0.684	S	S	*	*			trans	-81.5	109.7	159	-92.5	0	0	0	0	109
120	S	29.2	Very low	42.1	Very low	114 Å²	114	114.8 Å²	114.8	80%	0.797	70%	0.7	S	S	*	*			trans	-144.5	119.3	144.4	62	0	0	0	0	108.5
121	D	29.9	Very low	39.1	Very low	151 Å²	151	121.8 Å²	121.8	81%	0.807	73%	0.727	S	S	*	*			trans	-53.6	167.4	175.3	-68.5	-56.5	0	0	0	113.9
122	D	29.8	Very low	36.6	Very low	155 Å²	155	128 Å²	128	83%	0.829	76%	0.759	S	S	*	*			trans	88.2	76.3	171.5	-55.9	-24	0	0	0	117.3
123	D	28.6	Very low	34.2	Very low	163 Å²	163	128.1 Å²	128.1	87%	0.872	78%	0.775	S	S	*	*				-168.3	112.1	114.9	-119.6	-20.6	0	0	0	111.6	G125	D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact O-N 3.03Å
124	V	29.2	Very low	32.5	Very low	152 Å²	152	127.2 Å²	127.2	92%	0.921	78%	0.777	S	S	*	*			trans	-77.1	82.7	169.7	-177.8	0	0	0	0	107.5
125	G	31.3	Very low	31.7	Very low	54 Å²	54	130.5 Å²	130.5	56%	0.557	78%	0.775	S	S	*	*			trans	-110.2	108.6	173.5	0	0	0	0	0	111.2	D123 N127	D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact O-N 3.03Å; G125-N127 PolarHBondContact O-N 2.98Å
126	E	29.1	Very low	31.5	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.1	126.4	177.5	-68.3	176.8	146.3	0	0	112.6	G128	E126-G128 PolarHBondContact O-N 2.68Å
127	N	36.7	Very low	32	Very low	172 Å²	172	132.9 Å²	132.9	92%	0.92	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	24.2	169.1	-58.8	-25.2	0	0	0	117.7	G125 A129	G125-N127 PolarHBondContact O-N 2.98Å; N127-A129 PolarHBondContact O-N 3.32Å
128	G	27.2	Very low	33.4	Very low	60 Å²	60	129.4 Å²	129.4	62%	0.619	77%	0.768	S	S	*	*			trans	-84	85.7	167	0	0	0	0	0	112.3	E126 V130	E126-G128 PolarHBondContact O-N 2.68Å; G128-V130 PolarHBondContact O-N 2.71Å
129	A	31.4	Very low	35.1	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	77%	0.765	S	S	*	*			trans	-53.7	110	165.8	0	0	0	0	0	109.4	N127 K131	N127-A129 PolarHBondContact O-N 3.32Å; A129-K131 VanDerWaalsContact C-N 3.32Å; A129-K131 PolarHBondContact O-N 3.18Å
130	V	31.9	Very low	37.2	Very low	134 Å²	134	127.2 Å²	127.2	81%	0.812	74%	0.736	S	S	*	*			trans	-63.3	99	169.7	179.8	0	0	0	0	106.1	G128 L132	G128-V130 PolarHBondContact O-N 2.71Å; V130-L132 VanDerWaalsContact C-N 3.31Å; V130-L132 PolarHBondContact O-N 3.28Å
131	K	26	Very low	39.7	Very low	194 Å²	194	122.3 Å²	122.3	84%	0.843	70%	0.701	S	S	*	*			trans	-56.3	103.2	164.5	-84.5	177.8	173	178.9	0	105.7	A129 A133	A129-K131 VanDerWaalsContact C-N 3.32Å; A129-K131 PolarHBondContact O-N 3.18Å; K131-A133 PolarHBondContact O-N 2.95Å
132	L	33.5	Very low	42.3	Very low	140 Å²	140	118.1 Å²	118.1	73%	0.733	68%	0.683	S	S	*	*			trans	-41.2	112.9	154.8	-80.4	140.1	0	0	0	105.4	V130 S134	V130-L132 VanDerWaalsContact C-N 3.31Å; V130-L132 PolarHBondContact O-N 3.28Å; L132-S134 PolarHBondContact O-N 2.9Å
133	A	31.8	Very low	45	Very low	91 Å²	91	112.3 Å²	112.3	75%	0.752	65%	0.654	S	S	*	*			trans	-62.7	87.9	166.8	0	0	0	0	0	104.7	K131 E135	K131-A133 PolarHBondContact O-N 2.95Å; A133-E135 PolarHBondContact O-N 2.91Å
134	S	32.3	Very low	47.8	Very low	89 Å²	89	109.4 Å²	109.4	62%	0.622	64%	0.635	S	S	*	*			trans	-47.3	112.8	163.1	46.2	0	0	0	0	104.9	L132	L132-S134 PolarHBondContact O-N 2.9Å
135	E	36.7	Very low	50.5	Low	172 Å²	172	104.9 Å²	104.9	80%	0.804	61%	0.605	S	S	*	*			trans	-40.6	130.2	156.3	-72.8	179.5	153.8	0	0	106.3	A133 L137	A133-E135 PolarHBondContact O-N 2.91Å; E135-L137 PolarHBondContact O-N 3.13Å
136	P	38.9	Very low	53.2	Low	114 Å²	114	107.8 Å²	107.8	74%	0.74	61%	0.612	S	S	*	*			trans	-54.1	112.8	-170.3	20.8	-30.3	0	0	0	107.1	I138	P136-I138 PolarHBondContact O-N 3.14Å
137	L	48.7	Very low	56.1	Low	149 Å²	149	101.3 Å²	101.3	78%	0.78	58%	0.582	S	S	*	*			trans	-54.2	102.1	165.8	-84.8	147.7	0	0	0	103.9	E135 E139	E135-L137 PolarHBondContact O-N 3.13Å; L137-E139 PolarHBondContact O-N 3.29Å
138	I	61.8	Low	58.6	Low	70 Å²	70	93.2 Å²	93.2	36%	0.359	54%	0.538	S	S	.	.			trans	-67.3	91.9	171.8	-62	173.9	0	0	0	104.1	P136 L140 F154	P136-I138 PolarHBondContact O-N 3.14Å; I138-L140 PolarHBondContact O-N 3.03Å; I138-L140 VanDerWaalsContact O-N 3.13Å; I138-F154 HydrophobicContact CG2-CE2 3.34Å; I138-F154 HydrophobicContact CG2-CZ 3.38Å
139	E	65.8	Low	61.6	Low	171 Å²	171	96 Å²	96	80%	0.799	53%	0.533	S	S	*	.			trans	-66	111.9	175.3	-79.3	-173.3	165.6	0	0	107.3	L137	L137-E139 PolarHBondContact O-N 3.29Å
140	L	71.7	Confident	64.4	Low	44 Å²	44	96.2 Å²	96.2	23%	0.23	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-59.9	137.2	170.8	-71.2	174.4	0	0	0	108.9	I138 F154 T162 L165 Y169	I138-L140 PolarHBondContact O-N 3.03Å; I138-L140 VanDerWaalsContact O-N 3.13Å; L140-F154 HydrophobicContact CD2-CD1 4.06Å; L140-F154 HydrophobicContact CD2-CE1 3.3Å; L140-F154 HydrophobicContact CD2-CZ 3.8Å; L140-T162 HydrophobicContact CD2-CG2 4.22Å; L140-L165 HydrophobicContact CD1-CB 3.79Å; L140-L165 HydrophobicContact CD1-CD2 3.99Å; L140-L165 HydrophobicContact CD1-CG 4.36Å; L140-L165 HydrophobicContact CD2-CB 4.36Å; L140-L165 HydrophobicContact CD2-CD1 4.43Å; L140-L165 HydrophobicContact CG-CB 4.27Å; L140-L165 HydrophobicContact CG-CD1 4.31Å; L140-L165 HydrophobicContact CG-CD2 4.31Å; L140-Y169 HydrophobicContact CB-CE2 4.32Å; L140-Y169 HydrophobicContact CD1-CD2 3.64Å; L140-Y169 HydrophobicContact CD1-CE2 4.19Å; L140-Y169 HydrophobicContact CD1-CG 4.01Å
141	P	82.1	Confident	67.1	Low	10 Å²	10	89.9 Å²	89.9	7%	0.065	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-53.7	147.7	171.9	-23.4	32	0	0	0	111.2	C143 E150 I151 F154 Y169	P141-C143 PolarHBondContact O-N 2.81Å; P141-E150 HydrophobicContact CB-CG 4.01Å; P141-E150 HydrophobicContact CG-CG 3.85Å; P141-I151 HydrophobicContact CB-CG1 3.96Å; P141-F154 HydrophobicContact CG-CB 4.08Å; P141-F154 HydrophobicContact CG-CG 4.28Å; P141-Y169 PolarHBondContact O-OH 2.81Å
142	P	84.1	Confident	70.1	Confident	64 Å²	64	82.2 Å²	82.2	42%	0.416	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-56.7	130.5	177	-22.4	32.3	0	0	0	110.9	E144 H147	P142-E144 HydrophobicContact CB-CG 4.27Å; P142-E144 PolarHBondContact O-N 3.43Å; P142-H147 WeakPolarHBondContact O-CB 3.26Å
143	C	85.6	Confident	72.7	Confident	32 Å²	32	80.3 Å²	80.3	22%	0.216	44%	0.437	C	S	.	.	S	Bend	trans	-76.7	69.8	-178.4	-167.8	0	0	0	0	111.6	P141 Y169 K172	P141-C143 PolarHBondContact O-N 2.81Å; C143-Y169 HydrophobicContact CB-CE2 3.93Å; C143-K172 HydrophobicContact CB-CB 4.02Å; C143-K172 HydrophobicContact CB-CD 4.32Å; C143-K172 WeakPolarHBondContact SG-CB 3.45Å; C143-K172 PolarHBondContact SG-O 3.1Å
144	E	89.2	Confident	75.3	Confident	103 Å²	103	77.7 Å²	77.7	48%	0.481	41%	0.409	S	S	.	.	S	Bend	trans	-131.5	155.2	-176.1	-60.6	179.3	167.6	0	0	110.7	P142 T146 H147 L148	P142-E144 HydrophobicContact CB-CG 4.27Å; P142-E144 PolarHBondContact O-N 3.43Å; E144-T146 PolarHBondContact O-N 3.28Å; E144-H147 PolarHBondContact O-N 3.41Å; E144-H147 IonicContact OE2-CE1 3.48Å; E144-H147 PolarHBondContact OE2-CE1 3.18Å; E144-H147 IonicContact OE2-ND1 3.42Å; E144-H147 PolarHBondContact OE2-ND1 3.19Å; E144-L148 PolarHBondContact O-N 3.48Å
145	I	84.4	Confident	77.8	Confident	56 Å²	56	73.5 Å²	73.5	29%	0.287	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-56	-40.7	-175.6	-58.3	-176.6	0	0	0	110.9	H147 L148 L176 L183 S188	I145-H147 PolarHBondContact O-N 3.1Å; I145-L148 HydrophobicContact CG2-CD1 4.21Å; I145-L148 WeakPolarHBondContact O-CB 3.21Å; I145-L148 WeakPolarHBondContact O-CG 3.46Å; I145-L148 PolarHBondContact O-N 3.2Å; I145-L176 HydrophobicContact CB-CD1 4.41Å; I145-L176 HydrophobicContact CD1-CD1 4.34Å; I145-L176 HydrophobicContact CG1-CD1 3.37Å; I145-L176 HydrophobicContact CG1-CG 4.22Å; I145-L183 HydrophobicContact CD1-CD1 4.34Å; I145-S188 VanDerWaalsContact CG2-OG 3.25Å; I145-S188 WeakPolarHBondContact CG2-OG 3.29Å
146	T	87.7	Confident	80	Confident	115 Å²	115	69.3 Å²	69.3	71%	0.706	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.3	-178.5	50.2	0	0	0	0	113.9	E144	E144-T146 PolarHBondContact O-N 3.28Å
147	H	89.8	Confident	82.1	Confident	53 Å²	53	67.2 Å²	67.2	25%	0.245	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-99.9	1.4	-177.3	-58.5	103.9	0	0	0	112.5	P142 E144 I145 K149 E150 I151	P142-H147 WeakPolarHBondContact O-CB 3.26Å; E144-H147 PolarHBondContact O-N 3.41Å; E144-H147 IonicContact OE2-CE1 3.48Å; E144-H147 PolarHBondContact OE2-CE1 3.18Å; E144-H147 IonicContact OE2-ND1 3.42Å; E144-H147 PolarHBondContact OE2-ND1 3.19Å; I145-H147 PolarHBondContact O-N 3.1Å; H147-K149 PolarHBondContact O-N 3.17Å; H147-E150 IonicContact CD2-OE2 3.45Å; H147-E150 PolarHBondContact CD2-OE2 2.8Å; H147-E150 WeakPolarHBondContact O-CA 3.48Å; H147-E150 WeakPolarHBondContact O-CB 3.36Å; H147-E150 PolarHBondContact O-N 3.09Å; H147-I151 HydrophobicContact CB-CD1 4.42Å; H147-I151 HydrophobicContact CB-CG1 4.42Å; H147-I151 VanDerWaalsContact O-CG1 3.27Å; H147-I151 WeakPolarHBondContact O-CG1 3.39Å; H147-I151 PolarHBondContact O-N 3.01Å
148	L	90.1	Very high	83	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-51.1	-37	-176.2	-82.8	174.8	0	0	0	114.8	E144 I145 I151 H152 L176 I191 L192	E144-L148 PolarHBondContact O-N 3.48Å; I145-L148 HydrophobicContact CG2-CD1 4.21Å; I145-L148 WeakPolarHBondContact O-CB 3.21Å; I145-L148 WeakPolarHBondContact O-CG 3.46Å; I145-L148 PolarHBondContact O-N 3.2Å; L148-I151 HydrophobicContact CD2-CD1 4.37Å; L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 2.96Å; L148-L176 HydrophobicContact CD1-CD2 4.33Å; L148-L176 HydrophobicContact CD2-CD2 3.5Å; L148-L176 VanDerWaalsContact CD2-CD2 3.5Å; L148-L176 HydrophobicContact CG-CD2 3.91Å; L148-I191 HydrophobicContact CB-CB 4.34Å; L148-I191 HydrophobicContact CB-CD1 4.38Å; L148-I191 HydrophobicContact CB-CG2 3.82Å; L148-I191 WeakPolarHBondContact O-CG2 3.49Å; L148-L192 HydrophobicContact CD1-CG 4.32Å; L148-L192 HydrophobicContact CD2-CD2 3.58Å; L148-L192 HydrophobicContact CD2-CG 3.88Å
149	K	90.1	Very high	82.7	Confident	117 Å²	117	66.1 Å²	66.1	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-44.9	176.2	-65.5	-179.7	-178.7	166.3	0	111.5	H147 I151 H152 D153 E187 I191	H147-K149 PolarHBondContact O-N 3.17Å; K149-I151 VanDerWaalsContact C-N 3.32Å; K149-I151 PolarHBondContact O-N 2.92Å; K149-H152 WeakPolarHBondContact O-CB 3.33Å; K149-H152 PolarHBondContact O-N 3.11Å; K149-D153 VanDerWaalsContact O-CG 3.25Å; K149-D153 PolarHBondContact O-N 3.34Å; K149-E187 IonicContact NZ-OE1 2.84Å; K149-E187 PolarHBondContact NZ-OE1 3.38Å; K149-I191 HydrophobicContact CD-CD1 4.36Å; K149-I191 HydrophobicContact CG-CD1 3.73Å; K149-I191 HydrophobicContact CG-CG1 4.48Å
150	E	89.9	Confident	82.4	Confident	101 Å²	101	64.6 Å²	64.6	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.5	-173	-177.4	179.3	0	0	111.6	P141 H147 D153 F154	P141-E150 HydrophobicContact CB-CG 4.01Å; P141-E150 HydrophobicContact CG-CG 3.85Å; H147-E150 IonicContact CD2-OE2 3.45Å; H147-E150 PolarHBondContact CD2-OE2 2.8Å; H147-E150 WeakPolarHBondContact O-CA 3.48Å; H147-E150 WeakPolarHBondContact O-CB 3.36Å; H147-E150 PolarHBondContact O-N 3.09Å; E150-D153 PolarHBondContact O-N 3.32Å; E150-F154 WeakPolarHBondContact O-CB 3.22Å; E150-F154 PolarHBondContact O-N 3.35Å
151	I	88.6	Confident	81.7	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-47.9	174.3	-62.3	173.6	0	0	0	111	P141 H147 L148 K149 F154 I155 Y169 L173 T195	P141-I151 HydrophobicContact CB-CG1 3.96Å; H147-I151 HydrophobicContact CB-CD1 4.42Å; H147-I151 HydrophobicContact CB-CG1 4.42Å; H147-I151 VanDerWaalsContact O-CG1 3.27Å; H147-I151 WeakPolarHBondContact O-CG1 3.39Å; H147-I151 PolarHBondContact O-N 3.01Å; L148-I151 HydrophobicContact CD2-CD1 4.37Å; K149-I151 VanDerWaalsContact C-N 3.32Å; K149-I151 PolarHBondContact O-N 2.92Å; I151-F154 PolarHBondContact O-N 2.95Å; I151-I155 HydrophobicContact CG2-CD1 3.93Å; I151-I155 WeakPolarHBondContact O-CG1 3.34Å; I151-I155 PolarHBondContact O-N 3.05Å; I151-Y169 WeakPolarHBondContact CD1-OH 3.42Å; I151-Y169 WeakPolarHBondContact CG1-OH 3.43Å; I151-Y169 HydrophobicContact CG2-CE1 3.61Å; I151-Y169 WeakPolarHBondContact CG2-OH 3.44Å; I151-L173 HydrophobicContact CD1-CD2 4.29Å; I151-L173 HydrophobicContact CG2-CD2 4Å; I151-T195 HydrophobicContact CG2-CG2 4.35Å
152	H	88.6	Confident	80.8	Confident	34 Å²	34	66.7 Å²	66.7	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-46.4	179.2	178.2	58.8	0	0	0	111.8	L148 K149 F154 I155 T156 I191 R194 T195 S198	L148-H152 WeakPolarHBondContact O-CB 3.43Å; L148-H152 PolarHBondContact O-N 2.96Å; K149-H152 WeakPolarHBondContact O-CB 3.33Å; K149-H152 PolarHBondContact O-N 3.11Å; H152-F154 VanDerWaalsContact C-N 3.34Å; H152-I155 PolarHBondContact O-N 2.84Å; H152-T156 PolarHBondContact CE1-OG1 3.14Å; H152-T156 WeakPolarHBondContact O-CB 3.19Å; H152-T156 PolarHBondContact O-N 2.55Å; H152-T156 PolarHBondContact O-OG1 2.94Å; H152-I191 HydrophobicContact CB-CG2 4.12Å; H152-R194 PolarHBondContact CE1-O 2.82Å; H152-T195 WeakPolarHBondContact CB-OG1 3.35Å; H152-T195 WeakPolarHBondContact ND1-CA 3.29Å; H152-T195 PolarHBondContact ND1-N 2.93Å; H152-T195 PolarHBondContact ND1-OG1 2.89Å; H152-S198 PolarHBondContact CE1-OG 3.42Å
153	D	88.6	Confident	79.8	Confident	100 Å²	100	66.1 Å²	66.1	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-40.3	179.3	-67.7	-19.4	0	0	0	110.8	K149 E150 T156 S157	K149-D153 VanDerWaalsContact O-CG 3.25Å; K149-D153 PolarHBondContact O-N 3.34Å; E150-D153 PolarHBondContact O-N 3.32Å; D153-T156 PolarHBondContact O-N 3.06Å; D153-S157 VanDerWaalsContact O-CB 3.29Å; D153-S157 WeakPolarHBondContact O-CB 3.5Å; D153-S157 PolarHBondContact O-N 2.77Å; D153-S157 PolarHBondContact O-OG 2.93Å
154	F	86.4	Confident	78.9	Confident	36 Å²	36	70.3 Å²	70.3	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-46.2	174.4	177.2	-94	0	0	0	112	I138 L140 P141 E150 I151 H152 T156 S157 S158 T162	I138-F154 HydrophobicContact CG2-CE2 3.34Å; I138-F154 HydrophobicContact CG2-CZ 3.38Å; L140-F154 HydrophobicContact CD2-CD1 4.06Å; L140-F154 HydrophobicContact CD2-CE1 3.3Å; L140-F154 HydrophobicContact CD2-CZ 3.8Å; P141-F154 HydrophobicContact CG-CB 4.08Å; P141-F154 HydrophobicContact CG-CG 4.28Å; E150-F154 WeakPolarHBondContact O-CB 3.22Å; E150-F154 PolarHBondContact O-N 3.35Å; I151-F154 PolarHBondContact O-N 2.95Å; H152-F154 VanDerWaalsContact C-N 3.34Å; F154-T156 VanDerWaalsContact C-N 3.35Å; F154-S157 WeakPolarHBondContact CA-OG 3.22Å; F154-S157 CarbonylContact O-C 3.59Å; F154-S157 PolarHBondContact O-N 3.15Å; F154-S157 PolarHBondContact O-OG 3.09Å; F154-S158 VanDerWaalsContact CE1-OG 3.3Å; F154-S158 WeakPolarHBondContact CE1-OG 3.29Å; F154-S158 WeakPolarHBondContact O-CA 3.42Å; F154-S158 VanDerWaalsContact O-CB 3.3Å; F154-S158 WeakPolarHBondContact O-CB 3.19Å; F154-S158 PolarHBondContact O-N 3.01Å; F154-S158 PolarHBondContact O-OG 3.27Å; F154-T162 HydrophobicContact CE1-CG2 3.78Å; F154-T162 HydrophobicContact CZ-CG2 3.68Å
155	I	84.3	Confident	78.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-39.2	179	-71.3	172	0	0	0	111.2	I151 H152 S157 S158 F166 Y169 L173 T195 I199	I151-I155 HydrophobicContact CG2-CD1 3.93Å; I151-I155 WeakPolarHBondContact O-CG1 3.34Å; I151-I155 PolarHBondContact O-N 3.05Å; H152-I155 PolarHBondContact O-N 2.84Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.47Å; I155-S158 PolarHBondContact O-N 3.33Å; I155-F166 HydrophobicContact CD1-CE1 4.02Å; I155-F166 HydrophobicContact CG1-CE1 3.81Å; I155-F166 HydrophobicContact CG1-CZ 4.13Å; I155-F166 HydrophobicContact CG2-CE1 4.33Å; I155-F166 HydrophobicContact CG2-CZ 4.45Å; I155-Y169 HydrophobicContact CD1-CD1 4.48Å; I155-Y169 HydrophobicContact CD1-CE1 4.15Å; I155-L173 HydrophobicContact CD1-CD1 4.36Å; I155-T195 HydrophobicContact CD1-CG2 3.39Å; I155-I199 HydrophobicContact CD1-CD1 4.13Å; I155-I199 HydrophobicContact CD1-CG1 4.21Å; I155-I199 HydrophobicContact CG2-CG1 3.79Å
156	T	83.6	Confident	77.8	Confident	84 Å²	84	65.8 Å²	65.8	52%	0.515	35%	0.35	S	S	.	.	H	α-helix	trans	-71.9	-27.6	179.6	-54.9	0	0	0	0	112.1	H152 D153 F154 S198	H152-T156 PolarHBondContact CE1-OG1 3.14Å; H152-T156 WeakPolarHBondContact O-CB 3.19Å; H152-T156 PolarHBondContact O-N 2.55Å; H152-T156 PolarHBondContact O-OG1 2.94Å; D153-T156 PolarHBondContact O-N 3.06Å; F154-T156 VanDerWaalsContact C-N 3.35Å; T156-S198 PolarHBondContact OG1-OG 3.5Å
157	S	82.4	Confident	77.3	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-92.1	-9.5	174.3	59.4	0	0	0	0	114.2	D153 F154 I155 F159	D153-S157 VanDerWaalsContact O-CB 3.29Å; D153-S157 WeakPolarHBondContact O-CB 3.5Å; D153-S157 PolarHBondContact O-N 2.77Å; D153-S157 PolarHBondContact O-OG 2.93Å; F154-S157 WeakPolarHBondContact CA-OG 3.22Å; F154-S157 CarbonylContact O-C 3.59Å; F154-S157 PolarHBondContact O-N 3.15Å; F154-S157 PolarHBondContact O-OG 3.09Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.47Å; S157-F159 VanDerWaalsContact O-CD2 3.27Å; S157-F159 WeakPolarHBondContact O-CD2 3.37Å; S157-F159 WeakPolarHBondContact O-CE2 3.04Å; S157-F159 PolarHBondContact O-N 3.46Å
158	S	67.8	Low	76.8	Confident	17 Å²	17	73.1 Å²	73.1	12%	0.119	37%	0.367	C	S	.	.			trans	-67.3	127.8	-177.4	-77.9	0	0	0	0	111.7	F154 I155	F154-S158 VanDerWaalsContact CE1-OG 3.3Å; F154-S158 WeakPolarHBondContact CE1-OG 3.29Å; F154-S158 WeakPolarHBondContact O-CA 3.42Å; F154-S158 VanDerWaalsContact O-CB 3.3Å; F154-S158 WeakPolarHBondContact O-CB 3.19Å; F154-S158 PolarHBondContact O-N 3.01Å; F154-S158 PolarHBondContact O-OG 3.27Å; I155-S158 PolarHBondContact O-N 3.33Å
159	F	56.8	Low	76.7	Confident	178 Å²	178	73.3 Å²	73.3	78%	0.781	37%	0.367	S	S	*	.			trans	-98.8	174.5	166.8	-66.9	-85.2	0	0	0	110.4	S157 S161 T162	S157-F159 VanDerWaalsContact O-CD2 3.27Å; S157-F159 WeakPolarHBondContact O-CD2 3.37Å; S157-F159 WeakPolarHBondContact O-CE2 3.04Å; S157-F159 PolarHBondContact O-N 3.46Å; F159-S161 PolarHBondContact O-N 2.79Å; F159-T162 PolarHBondContact O-N 2.97Å; F159-T162 PolarHBondContact O-OG1 3.21Å
160	E	58.9	Low	76.8	Confident	139 Å²	139	67.8 Å²	67.8	65%	0.65	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-50.2	-23.3	-161.7	-59.6	-172.3	136.4	0	0	117.2	T162 M163 K204	E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 3.26Å; E160-M163 WeakPolarHBondContact O-CG 3.39Å; E160-K204 IonicContact OE1-NZ 3.33Å; E160-K204 PolarHBondContact OE1-NZ 3.47Å
161	S	56.8	Low	77	Confident	94 Å²	94	65 Å²	65	66%	0.657	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-69.8	-8.7	-173.6	51.8	0	0	0	0	116	F159	F159-S161 PolarHBondContact O-N 2.79Å
162	T	63.4	Low	77.2	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.025	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-96.4	4.2	-173.9	-35.3	0	0	0	0	114	L140 F154 F159 E160 T164 L165 F166	L140-T162 HydrophobicContact CD2-CG2 4.22Å; F154-T162 HydrophobicContact CE1-CG2 3.78Å; F154-T162 HydrophobicContact CZ-CG2 3.68Å; F159-T162 PolarHBondContact O-N 2.97Å; F159-T162 PolarHBondContact O-OG1 3.21Å; E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 3.26Å; T162-T164 PolarHBondContact O-N 2.85Å; T162-L165 HydrophobicContact CG2-CB 4.14Å; T162-L165 HydrophobicContact CG2-CD1 3.5Å; T162-L165 HydrophobicContact CG2-CG 4.42Å; T162-L165 WeakPolarHBondContact O-CB 3.47Å; T162-L165 PolarHBondContact O-N 3.25Å; T162-L165 VanDerWaalsContact O-N 3.16Å; T162-F166 HydrophobicContact CG2-CE2 4.26Å; T162-F166 VanDerWaalsContact O-CD2 3.24Å; T162-F166 WeakPolarHBondContact O-CD2 3.44Å
163	M	63.4	Low	77.5	Confident	52 Å²	52	68.9 Å²	68.9	26%	0.256	35%	0.35	S	S	.	.	H	α-helix	trans	-58.7	-42.6	-168	-75.7	-66	-62.3	0	0	115.5	E160 L165 F166 K204 A206 L207	E160-M163 WeakPolarHBondContact O-CG 3.39Å; M163-L165 PolarHBondContact O-N 3.3Å; M163-F166 PolarHBondContact O-N 2.94Å; M163-K204 HydrophobicContact CE-CB 3.71Å; M163-K204 HydrophobicContact CE-CG 4.13Å; M163-K204 HydrophobicContact SD-CB 4.15Å; M163-K204 HydrophobicContact SD-CG 3.91Å; M163-A206 HydrophobicContact CE-CB 3.89Å; M163-L207 HydrophobicContact CE-CD1 4.23Å; M163-L207 HydrophobicContact CE-CD2 4.22Å; M163-L207 HydrophobicContact CE-CG 3.67Å; M163-L207 HydrophobicContact SD-CD1 3.94Å; M163-L207 HydrophobicContact SD-CD2 4.41Å; M163-L207 HydrophobicContact SD-CG 3.99Å
164	T	67	Low	77.9	Confident	120 Å²	120	64.4 Å²	64.4	74%	0.736	33%	0.326	S	S	*	.	H	α-helix	trans	-65.6	-27.1	-178.9	55.9	0	0	0	0	112.6	T162	T162-T164 PolarHBondContact O-N 2.85Å
165	L	72.8	Confident	78.4	Confident	58 Å²	58	67 Å²	67	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-71.4	-34.5	179.2	-69.4	160.6	0	0	0	111.6	L140 T162 M163 F167 R168 Y169	L140-L165 HydrophobicContact CD1-CB 3.79Å; L140-L165 HydrophobicContact CD1-CD2 3.99Å; L140-L165 HydrophobicContact CD1-CG 4.36Å; L140-L165 HydrophobicContact CD2-CB 4.36Å; L140-L165 HydrophobicContact CD2-CD1 4.43Å; L140-L165 HydrophobicContact CG-CB 4.27Å; L140-L165 HydrophobicContact CG-CD1 4.31Å; L140-L165 HydrophobicContact CG-CD2 4.31Å; T162-L165 HydrophobicContact CG2-CB 4.14Å; T162-L165 HydrophobicContact CG2-CD1 3.5Å; T162-L165 HydrophobicContact CG2-CG 4.42Å; T162-L165 WeakPolarHBondContact O-CB 3.47Å; T162-L165 PolarHBondContact O-N 3.25Å; T162-L165 VanDerWaalsContact O-N 3.16Å; M163-L165 PolarHBondContact O-N 3.3Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 2.74Å; L165-R168 VanDerWaalsContact O-N 3.14Å; L165-Y169 WeakPolarHBondContact O-CB 3.14Å; L165-Y169 PolarHBondContact O-N 2.83Å; L165-Y169 VanDerWaalsContact O-N 3.14Å
166	F	77.8	Confident	78.9	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-31.7	-179.6	-76.3	-80.6	0	0	0	113.7	I155 T162 M163 R168 Y169 I170 I199 L202 L207	I155-F166 HydrophobicContact CD1-CE1 4.02Å; I155-F166 HydrophobicContact CG1-CE1 3.81Å; I155-F166 HydrophobicContact CG1-CZ 4.13Å; I155-F166 HydrophobicContact CG2-CE1 4.33Å; I155-F166 HydrophobicContact CG2-CZ 4.45Å; T162-F166 HydrophobicContact CG2-CE2 4.26Å; T162-F166 VanDerWaalsContact O-CD2 3.24Å; T162-F166 WeakPolarHBondContact O-CD2 3.44Å; M163-F166 PolarHBondContact O-N 2.94Å; F166-R168 PolarHBondContact O-N 3.35Å; F166-Y169 PolarHBondContact O-N 2.92Å; F166-I170 HydrophobicContact CB-CD1 4.42Å; F166-I170 PolarHBondContact O-N 3.23Å; F166-I199 HydrophobicContact CE1-CG1 4.39Å; F166-L202 HydrophobicContact CE2-CD1 4.47Å; F166-L202 HydrophobicContact CZ-CD1 4.08Å; F166-L207 HydrophobicContact CB-CD2 3.45Å; F166-L207 VanDerWaalsContact CB-CD2 3.45Å; F166-L207 HydrophobicContact CD1-CD2 4.21Å; F166-L207 HydrophobicContact CD2-CD2 4.15Å; F166-L207 HydrophobicContact CG-CD2 3.7Å
167	F	76.5	Confident	79.6	Confident	125 Å²	125	63.2 Å²	63.2	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-56.8	-37.3	176.7	-174.3	-90.9	0	0	0	112.5	L165 P171 I210	L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 3.08Å; F167-P171 WeakPolarHBondContact O-CD 3.32Å; F167-I210 HydrophobicContact CB-CD1 4.08Å; F167-I210 HydrophobicContact CD2-CD1 3.86Å; F167-I210 HydrophobicContact CD2-CG1 3.9Å; F167-I210 HydrophobicContact CG-CD1 4.45Å
168	R	80.1	Confident	80.3	Confident	197 Å²	197	62.8 Å²	62.8	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-88.7	-19	176.9	-66.3	-177.1	174.3	-178.1	-0.6	113.1	L165 F166	L165-R168 PolarHBondContact O-N 2.74Å; L165-R168 VanDerWaalsContact O-N 3.14Å; F166-R168 PolarHBondContact O-N 3.35Å
169	Y	87.8	Confident	81.6	Confident	7 Å²	7	67.7 Å²	67.7	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-90.2	-42.8	-170.5	-159.8	-117.9	0	0	0	113	L140 P141 C143 I151 I155 L165 F166 K172 L173	L140-Y169 HydrophobicContact CB-CE2 4.32Å; L140-Y169 HydrophobicContact CD1-CD2 3.64Å; L140-Y169 HydrophobicContact CD1-CE2 4.19Å; L140-Y169 HydrophobicContact CD1-CG 4.01Å; P141-Y169 PolarHBondContact O-OH 2.81Å; C143-Y169 HydrophobicContact CB-CE2 3.93Å; I151-Y169 WeakPolarHBondContact CD1-OH 3.42Å; I151-Y169 WeakPolarHBondContact CG1-OH 3.43Å; I151-Y169 HydrophobicContact CG2-CE1 3.61Å; I151-Y169 WeakPolarHBondContact CG2-OH 3.44Å; I155-Y169 HydrophobicContact CD1-CD1 4.48Å; I155-Y169 HydrophobicContact CD1-CE1 4.15Å; L165-Y169 WeakPolarHBondContact O-CB 3.14Å; L165-Y169 PolarHBondContact O-N 2.83Å; L165-Y169 VanDerWaalsContact O-N 3.14Å; F166-Y169 PolarHBondContact O-N 2.92Å; Y169-K172 WeakPolarHBondContact O-CB 3.31Å; Y169-K172 PolarHBondContact O-N 3.43Å; Y169-K172 VanDerWaalsContact O-N 3.08Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.01Å; Y169-L173 HydrophobicContact CE1-CD1 3.68Å; Y169-L173 HydrophobicContact CE1-CD2 3.9Å; Y169-L173 HydrophobicContact CE1-CG 3.9Å; Y169-L173 PolarHBondContact O-N 2.87Å
170	I	92.1	Very high	83.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-47.1	179.2	-71.4	167.9	0	0	0	112.1	F166 K172 L173 L174 F196 I199 L207 I210 L211	F166-I170 HydrophobicContact CB-CD1 4.42Å; F166-I170 PolarHBondContact O-N 3.23Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.19Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.14Å; I170-L174 HydrophobicContact CG2-CD1 4.26Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 3.45Å; I170-F196 HydrophobicContact CG2-CE1 4.31Å; I170-F196 HydrophobicContact CG2-CZ 4.46Å; I170-I199 HydrophobicContact CD1-CG2 4.38Å; I170-I199 HydrophobicContact CG1-CD1 4.37Å; I170-L207 HydrophobicContact CD1-CD2 4.15Å; I170-I210 HydrophobicContact CB-CG2 4.11Å; I170-I210 HydrophobicContact CD1-CB 4.3Å; I170-I210 HydrophobicContact CD1-CG2 3.64Å; I170-I210 HydrophobicContact CG1-CG2 4.46Å; I170-I210 HydrophobicContact CG2-CG2 4.1Å; I170-L211 HydrophobicContact CD1-CD2 4.08Å; I170-L211 HydrophobicContact CD1-CG 4.39Å; I170-L211 HydrophobicContact CG2-CD2 4.3Å
171	P	93.1	Very high	85.3	Confident	42 Å²	42	54.6 Å²	54.6	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-57.3	-41.3	176.4	-26.4	35.8	0	0	0	113.4	F167 L173 L174 D175	F167-P171 WeakPolarHBondContact O-CD 3.32Å; P171-L173 VanDerWaalsContact C-N 3.34Å; P171-L173 PolarHBondContact O-N 3.07Å; P171-L174 PolarHBondContact O-N 2.95Å; P171-D175 PolarHBondContact O-N 3.09Å
172	K	93.4	Very high	87.2	Confident	116 Å²	116	56.7 Å²	56.7	50%	0.504	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-35	178	-62.5	-179.2	178.6	-176.2	0	112.3	C143 Y169 I170 L174 D175 L176	C143-K172 HydrophobicContact CB-CB 4.02Å; C143-K172 HydrophobicContact CB-CD 4.32Å; C143-K172 WeakPolarHBondContact SG-CB 3.45Å; C143-K172 PolarHBondContact SG-O 3.1Å; Y169-K172 WeakPolarHBondContact O-CB 3.31Å; Y169-K172 PolarHBondContact O-N 3.43Å; Y169-K172 VanDerWaalsContact O-N 3.08Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.19Å; K172-L174 VanDerWaalsContact C-N 3.31Å; K172-D175 PolarHBondContact O-N 2.85Å; K172-L176 WeakPolarHBondContact O-CB 3.41Å; K172-L176 PolarHBondContact O-N 3.38Å
173	L	95	Very high	88.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-33.9	173.8	-67.3	175.2	0	0	0	111.9	I151 I155 Y169 I170 P171 L176 F177 T195 F196 I199	I151-L173 HydrophobicContact CD1-CD2 4.29Å; I151-L173 HydrophobicContact CG2-CD2 4Å; I155-L173 HydrophobicContact CD1-CD1 4.36Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.01Å; Y169-L173 HydrophobicContact CE1-CD1 3.68Å; Y169-L173 HydrophobicContact CE1-CD2 3.9Å; Y169-L173 HydrophobicContact CE1-CG 3.9Å; Y169-L173 PolarHBondContact O-N 2.87Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.14Å; P171-L173 VanDerWaalsContact C-N 3.34Å; P171-L173 PolarHBondContact O-N 3.07Å; L173-L176 WeakPolarHBondContact O-CB 3.39Å; L173-L176 PolarHBondContact O-N 3.47Å; L173-F177 WeakPolarHBondContact O-CB 3.16Å; L173-F177 PolarHBondContact O-N 3.42Å; L173-T195 HydrophobicContact CD1-CG2 4.41Å; L173-F196 HydrophobicContact CB-CE2 3.9Å; L173-F196 HydrophobicContact CB-CZ 4.1Å; L173-F196 HydrophobicContact CD1-CE2 4.36Å; L173-I199 HydrophobicContact CD1-CD1 4.33Å
174	L	96.9	Very high	90.3	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-40.3	173.6	-64	175.5	0	0	0	111.6	I170 P171 K172 L176 F177 H178 F196 R216 D219 V220 V223	I170-L174 HydrophobicContact CG2-CD1 4.26Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 3.45Å; P171-L174 PolarHBondContact O-N 2.95Å; K172-L174 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.24Å; L174-F177 VanDerWaalsContact O-CB 3.32Å; L174-F177 WeakPolarHBondContact O-CB 3.5Å; L174-F177 PolarHBondContact O-N 3.42Å; L174-F177 VanDerWaalsContact O-N 3.11Å; L174-H178 PolarHBondContact O-N 3.13Å; L174-F196 HydrophobicContact CD2-CE1 3.81Å; L174-F196 HydrophobicContact CD2-CE2 4.35Å; L174-F196 HydrophobicContact CD2-CZ 3.44Å; L174-F196 VanDerWaalsContact CD2-CZ 3.44Å; L174-F196 HydrophobicContact CG-CE1 4.49Å; L174-F196 HydrophobicContact CG-CZ 3.99Å; L174-R216 HydrophobicContact CD1-CB 3.96Å; L174-R216 HydrophobicContact CD1-CG 3.84Å; L174-D219 HydrophobicContact CB-CB 4.5Å; L174-D219 HydrophobicContact CD1-CB 4.23Å; L174-D219 HydrophobicContact CD2-CB 3.87Å; L174-D219 HydrophobicContact CG-CB 4.41Å; L174-V220 HydrophobicContact CD1-CG2 4.26Å; L174-V220 HydrophobicContact CD2-CG2 4.19Å; L174-V223 HydrophobicContact CD2-CG2 4.04Å
175	D	95.9	Very high	91.6	Very high	91 Å²	91	64 Å²	64	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-36	171.6	-65.8	-28.7	0	0	0	111.6	P171 K172 K179	P171-D175 PolarHBondContact O-N 3.09Å; K172-D175 PolarHBondContact O-N 2.85Å; D175-K179 WeakPolarHBondContact O-CG 3.4Å; D175-K179 PolarHBondContact O-N 2.89Å
176	L	95.2	Very high	92.7	Very high	5 Å²	5	65 Å²	65	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-39.9	175.7	-166.7	61.2	0	0	0	111.6	I145 L148 K172 L173 L174 K179 C180	I145-L176 HydrophobicContact CB-CD1 4.41Å; I145-L176 HydrophobicContact CD1-CD1 4.34Å; I145-L176 HydrophobicContact CG1-CD1 3.37Å; I145-L176 HydrophobicContact CG1-CG 4.22Å; L148-L176 HydrophobicContact CD1-CD2 4.33Å; L148-L176 HydrophobicContact CD2-CD2 3.5Å; L148-L176 VanDerWaalsContact CD2-CD2 3.5Å; L148-L176 HydrophobicContact CG-CD2 3.91Å; K172-L176 WeakPolarHBondContact O-CB 3.41Å; K172-L176 PolarHBondContact O-N 3.38Å; L173-L176 WeakPolarHBondContact O-CB 3.39Å; L173-L176 PolarHBondContact O-N 3.47Å; L174-L176 PolarHBondContact O-N 3.24Å; L176-K179 PolarHBondContact O-N 2.67Å; L176-C180 PolarHBondContact O-N 3.22Å; L176-C180 PolarHBondContact O-SG 3.5Å
177	F	97.7	Very high	93.5	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.5	-49	173	163.7	-106.3	0	0	0	111.7	L173 L174 K179 C180 E181 L189 L192 V223 Y226	L173-F177 WeakPolarHBondContact O-CB 3.16Å; L173-F177 PolarHBondContact O-N 3.42Å; L174-F177 VanDerWaalsContact O-CB 3.32Å; L174-F177 WeakPolarHBondContact O-CB 3.5Å; L174-F177 PolarHBondContact O-N 3.42Å; L174-F177 VanDerWaalsContact O-N 3.11Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.5Å; F177-C180 PolarHBondContact O-N 2.89Å; F177-C180 VanDerWaalsContact O-N 3.15Å; F177-E181 HydrophobicContact CE2-CB 4.44Å; F177-E181 HydrophobicContact CZ-CB 4.48Å; F177-E181 WeakPolarHBondContact CZ-OE1 3.31Å; F177-E181 WeakPolarHBondContact O-CB 3.28Å; F177-E181 PolarHBondContact O-N 2.65Å; F177-L189 HydrophobicContact CD2-CD2 3.57Å; F177-L189 HydrophobicContact CE2-CD2 3.69Å; F177-L192 HydrophobicContact CB-CD1 3.94Å; F177-L192 HydrophobicContact CD2-CD1 4.4Å; F177-V223 HydrophobicContact CB-CG2 3.85Å; F177-V223 HydrophobicContact CD1-CG2 3.9Å; F177-V223 HydrophobicContact CD2-CB 4.29Å; F177-V223 HydrophobicContact CD2-CG2 3.54Å; F177-V223 HydrophobicContact CE1-CG2 4.38Å; F177-V223 HydrophobicContact CE2-CB 4.46Å; F177-V223 HydrophobicContact CE2-CG2 4.06Å; F177-V223 HydrophobicContact CG-CG2 3.46Å; F177-V223 VanDerWaalsContact CG-CG2 3.46Å; F177-V223 HydrophobicContact CZ-CG2 4.46Å; F177-Y226 AromaticContact CE2-CD2 3.96Å; F177-Y226 HydrophobicContact CE2-CD2 3.96Å; F177-Y226 AromaticContact CE2-CE2 3.72Å; F177-Y226 HydrophobicContact CE2-CE2 3.72Å; F177-Y226 HydrophobicContact CZ-CE2 4.19Å
178	H	97.3	Very high	94.4	Very high	61 Å²	61	64.8 Å²	64.8	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-57.1	-43.1	176.9	-63.8	150.7	0	0	0	112.1	L174 E181 D182 D219	L174-H178 PolarHBondContact O-N 3.13Å; H178-E181 PolarHBondContact O-N 2.81Å; H178-D182 WeakPolarHBondContact O-CB 3.45Å; H178-D182 VanDerWaalsContact O-CG 3.3Å; H178-D182 PolarHBondContact O-N 2.87Å; H178-D219 IonicContact CD2-OD1 3.67Å; H178-D219 IonicContact CE1-OD1 2.76Å; H178-D219 IonicContact CE1-OD2 3.4Å; H178-D219 PolarHBondContact CE1-OD2 3.32Å; H178-D219 IonicContact NE2-OD1 3.02Å; H178-D219 PolarHBondContact NE2-OD1 3.24Å; H178-D219 IonicContact NE2-OD2 3.49Å; H178-D219 PolarHBondContact NE2-OD2 3.2Å
179	K	96.6	Very high	95.2	Very high	121 Å²	121	55.5 Å²	55.5	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-44.2	176	-67.8	171.1	-171.6	171.1	0	112.5	D175 L176 F177 E181 L183	D175-K179 WeakPolarHBondContact O-CG 3.4Å; D175-K179 PolarHBondContact O-N 2.89Å; L176-K179 PolarHBondContact O-N 2.67Å; F177-K179 VanDerWaalsContact C-N 3.3Å; F177-K179 PolarHBondContact O-N 3.5Å; K179-E181 VanDerWaalsContact C-N 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.45Å; K179-L183 WeakPolarHBondContact O-CG 3.37Å; K179-L183 PolarHBondContact O-N 3.15Å; K179-L183 VanDerWaalsContact O-N 3.09Å
180	C	96.7	Very high	95.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-37	178.7	-65.8	0	0	0	0	111.4	L176 F177 L183 E184 D185 L189 L192	L176-C180 PolarHBondContact O-N 3.22Å; L176-C180 PolarHBondContact O-SG 3.5Å; F177-C180 PolarHBondContact O-N 2.89Å; F177-C180 VanDerWaalsContact O-N 3.15Å; C180-L183 PolarHBondContact O-N 3.42Å; C180-E184 PolarHBondContact O-N 3.4Å; C180-E184 VanDerWaalsContact O-N 3.15Å; C180-D185 PolarHBondContact O-N 3.3Å; C180-L189 HydrophobicContact CB-CD2 3.75Å; C180-L189 HydrophobicContact CB-CG 3.92Å; C180-L192 HydrophobicContact CB-CD1 4.26Å
181	E	96.5	Very high	95.9	Very high	41 Å²	41	58.3 Å²	58.3	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-47.5	176.6	-179.8	162.6	-105.1	0	0	111.4	F177 H178 K179 L183 E184 L189 Y226 R237	F177-E181 HydrophobicContact CE2-CB 4.44Å; F177-E181 HydrophobicContact CZ-CB 4.48Å; F177-E181 WeakPolarHBondContact CZ-OE1 3.31Å; F177-E181 WeakPolarHBondContact O-CB 3.28Å; F177-E181 PolarHBondContact O-N 2.65Å; H178-E181 PolarHBondContact O-N 2.81Å; K179-E181 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.33Å; E181-E184 PolarHBondContact O-N 2.94Å; E181-L189 HydrophobicContact CB-CD2 4.31Å; E181-Y226 PolarHBondContact OE1-OH 3.25Å; E181-Y226 VanDerWaalsContact OE1-OH 3.08Å; E181-R237 IonicContact OE1-CZ 3.36Å; E181-R237 IonicContact OE1-NH1 3.53Å; E181-R237 PolarHBondContact OE1-NH1 3.08Å; E181-R237 IonicContact OE1-NH2 2.98Å; E181-R237 PolarHBondContact OE1-NH2 3.22Å; E181-R237 IonicContact OE2-CZ 2.65Å; E181-R237 IonicContact OE2-NH1 2.74Å; E181-R237 PolarHBondContact OE2-NH1 3.33Å; E181-R237 IonicContact OE2-NH2 3.62Å
182	D	96.6	Very high	96.1	Very high	138 Å²	138	56.3 Å²	56.3	74%	0.738	28%	0.275	S	S	*	.	H	α-helix	trans	-61	-31.7	175.7	-75.1	-18.9	0	0	0	112.9	H178	H178-D182 WeakPolarHBondContact O-CB 3.45Å; H178-D182 VanDerWaalsContact O-CG 3.3Å; H178-D182 PolarHBondContact O-N 2.87Å
183	L	96.2	Very high	96.3	Very high	122 Å²	122	51.2 Å²	51.2	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.7	177.5	-68.2	174.3	0	0	0	113.7	I145 K179 C180 E181 D185	I145-L183 HydrophobicContact CD1-CD1 4.34Å; K179-L183 WeakPolarHBondContact O-CB 3.45Å; K179-L183 WeakPolarHBondContact O-CG 3.37Å; K179-L183 PolarHBondContact O-N 3.15Å; K179-L183 VanDerWaalsContact O-N 3.09Å; C180-L183 PolarHBondContact O-N 3.42Å; E181-L183 PolarHBondContact O-N 3.33Å; L183-D185 PolarHBondContact O-N 2.92Å
184	E	94.2	Very high	96.3	Very high	160 Å²	160	56.3 Å²	56.3	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	32.2	-171.9	-57.8	-177.4	174.8	0	0	113.2	C180 E181 I186	C180-E184 PolarHBondContact O-N 3.4Å; C180-E184 VanDerWaalsContact O-N 3.15Å; E181-E184 PolarHBondContact O-N 2.94Å; E184-I186 PolarHBondContact O-N 3.43Å
185	D	95.8	Very high	96.2	Very high	49 Å²	49	56 Å²	56	26%	0.262	27%	0.27	S	S	.	.			trans	-79.2	82.7	-179.3	-176.7	-1.4	0	0	0	111.5	C180 L183 E187 S188 L189	C180-D185 PolarHBondContact O-N 3.3Å; L183-D185 PolarHBondContact O-N 2.92Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 PolarHBondContact OD1-N 3.31Å; D185-S188 VanDerWaalsContact CG-CB 3.47Å; D185-S188 VanDerWaalsContact CG-OG 3.26Å; D185-S188 PolarHBondContact O-N 3Å; D185-S188 PolarHBondContact OD1-N 3.11Å; D185-S188 WeakPolarHBondContact OD2-CB 3.5Å; D185-S188 PolarHBondContact OD2-OG 3.45Å; D185-L189 WeakPolarHBondContact O-CB 3.22Å; D185-L189 WeakPolarHBondContact O-CD1 3.27Å; D185-L189 WeakPolarHBondContact O-CG 3.48Å; D185-L189 PolarHBondContact O-N 3.06Å
186	I	95.1	Very high	96.2	Very high	78 Å²	78	51.7 Å²	51.7	40%	0.4	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-33.6	-177.9	-55.3	-55.8	0	0	0	112.9	E184 L189 H190 Y226	E184-I186 PolarHBondContact O-N 3.43Å; I186-L189 HydrophobicContact CD1-CD1 4.24Å; I186-H190 VanDerWaalsContact CG2-CE1 3.41Å; I186-H190 WeakPolarHBondContact CG2-CE1 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.23Å; I186-H190 PolarHBondContact O-N 3.08Å; I186-H190 PolarHBondContact O-ND1 3.16Å; I186-Y226 HydrophobicContact CD1-CE1 4.31Å
187	E	94.9	Very high	96.1	Very high	117 Å²	117	54.8 Å²	54.8	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-47.4	179.5	-172.5	-178.3	167.1	0	0	110.4	K149 D185 H190 I191	K149-E187 IonicContact NZ-OE1 2.84Å; K149-E187 PolarHBondContact NZ-OE1 3.38Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 PolarHBondContact OD1-N 3.31Å; E187-H190 PolarHBondContact O-N 3.09Å; E187-I191 HydrophobicContact CG-CD1 4.47Å; E187-I191 WeakPolarHBondContact O-CG1 3.45Å; E187-I191 PolarHBondContact O-N 2.88Å
188	S	95.9	Very high	95.8	Very high	10 Å²	10	56 Å²	56	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-39.6	178.1	-66.2	0	0	0	0	112.5	I145 D185 H190 I191 L192	I145-S188 VanDerWaalsContact CG2-OG 3.25Å; I145-S188 WeakPolarHBondContact CG2-OG 3.29Å; D185-S188 VanDerWaalsContact CG-CB 3.47Å; D185-S188 VanDerWaalsContact CG-OG 3.26Å; D185-S188 PolarHBondContact O-N 3Å; D185-S188 PolarHBondContact OD1-N 3.11Å; D185-S188 WeakPolarHBondContact OD2-CB 3.5Å; D185-S188 PolarHBondContact OD2-OG 3.45Å; S188-H190 VanDerWaalsContact C-N 3.33Å; S188-H190 PolarHBondContact O-N 3.16Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-I191 VanDerWaalsContact O-N 3.11Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.91Å
189	L	97.5	Very high	95.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-40.1	175.5	-68.8	164.5	0	0	0	111.8	F177 C180 E181 D185 I186 I191 L192 Y193 Y226	F177-L189 HydrophobicContact CD2-CD2 3.57Å; F177-L189 HydrophobicContact CE2-CD2 3.69Å; C180-L189 HydrophobicContact CB-CD2 3.75Å; C180-L189 HydrophobicContact CB-CG 3.92Å; E181-L189 HydrophobicContact CB-CD2 4.31Å; D185-L189 WeakPolarHBondContact O-CB 3.22Å; D185-L189 WeakPolarHBondContact O-CD1 3.27Å; D185-L189 WeakPolarHBondContact O-CG 3.48Å; D185-L189 PolarHBondContact O-N 3.06Å; I186-L189 HydrophobicContact CD1-CD1 4.24Å; L189-I191 VanDerWaalsContact C-N 3.31Å; L189-I191 PolarHBondContact O-N 3.42Å; L189-L192 HydrophobicContact CD2-CD1 4.47Å; L189-L192 PolarHBondContact O-N 3.43Å; L189-Y193 PolarHBondContact O-N 3Å; L189-Y226 HydrophobicContact CB-CD1 3.85Å; L189-Y226 HydrophobicContact CB-CD2 4.35Å; L189-Y226 HydrophobicContact CB-CE1 4.35Å; L189-Y226 HydrophobicContact CB-CG 3.84Å; L189-Y226 HydrophobicContact CD1-CD1 3.94Å; L189-Y226 HydrophobicContact CD1-CE1 3.56Å; L189-Y226 HydrophobicContact CD1-CE2 4.36Å; L189-Y226 HydrophobicContact CD1-CG 4.48Å; L189-Y226 HydrophobicContact CD2-CD2 4.22Å; L189-Y226 HydrophobicContact CD2-CE2 4.14Å; L189-Y226 HydrophobicContact CG-CD1 4.39Å; L189-Y226 HydrophobicContact CG-CE1 4.4Å
190	H	97.1	Very high	95.3	Very high	50 Å²	50	47.4 Å²	47.4	23%	0.231	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-32	173.3	-74.5	169.4	0	0	0	113.5	I186 E187 S188 R194 Y226 P228	I186-H190 VanDerWaalsContact CG2-CE1 3.41Å; I186-H190 WeakPolarHBondContact CG2-CE1 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.23Å; I186-H190 PolarHBondContact O-N 3.08Å; I186-H190 PolarHBondContact O-ND1 3.16Å; E187-H190 PolarHBondContact O-N 3.09Å; S188-H190 VanDerWaalsContact C-N 3.33Å; S188-H190 PolarHBondContact O-N 3.16Å; H190-R194 WeakPolarHBondContact O-CG 3.48Å; H190-R194 PolarHBondContact O-N 2.88Å; H190-R194 PolarHBondContact O-NH1 3.23Å; H190-Y226 PolarHBondContact CD2-O 2.95Å; H190-P228 HydrophobicContact CB-CB 4.37Å; H190-P228 HydrophobicContact CB-CG 3.75Å
191	I	95.8	Very high	95	Very high	17 Å²	17	53 Å²	53	9%	0.087	25%	0.253	C	S	.	.	H	α-helix	trans	-74.4	-40.8	175.4	-61.5	159.9	0	0	0	110.2	L148 K149 H152 E187 S188 L189 Y193 R194 T195	L148-I191 HydrophobicContact CB-CB 4.34Å; L148-I191 HydrophobicContact CB-CD1 4.38Å; L148-I191 HydrophobicContact CB-CG2 3.82Å; L148-I191 WeakPolarHBondContact O-CG2 3.49Å; K149-I191 HydrophobicContact CD-CD1 4.36Å; K149-I191 HydrophobicContact CG-CD1 3.73Å; K149-I191 HydrophobicContact CG-CG1 4.48Å; H152-I191 HydrophobicContact CB-CG2 4.12Å; E187-I191 HydrophobicContact CG-CD1 4.47Å; E187-I191 WeakPolarHBondContact O-CG1 3.45Å; E187-I191 PolarHBondContact O-N 2.88Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-I191 VanDerWaalsContact O-N 3.11Å; L189-I191 VanDerWaalsContact C-N 3.31Å; L189-I191 PolarHBondContact O-N 3.42Å; I191-Y193 PolarHBondContact O-N 3.25Å; I191-R194 PolarHBondContact O-N 3.02Å; I191-T195 WeakPolarHBondContact O-CB 3.33Å; I191-T195 PolarHBondContact O-N 3.46Å; I191-T195 PolarHBondContact O-OG1 3.2Å
192	L	97.2	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-44.7	173.3	-75.1	166.3	0	0	0	111.5	L148 F177 C180 S188 L189 R194 T195 F196 V223	L148-L192 HydrophobicContact CD1-CG 4.32Å; L148-L192 HydrophobicContact CD2-CD2 3.58Å; L148-L192 HydrophobicContact CD2-CG 3.88Å; F177-L192 HydrophobicContact CB-CD1 3.94Å; F177-L192 HydrophobicContact CD2-CD1 4.4Å; C180-L192 HydrophobicContact CB-CD1 4.26Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.91Å; L189-L192 HydrophobicContact CD2-CD1 4.47Å; L189-L192 PolarHBondContact O-N 3.43Å; L192-R194 PolarHBondContact O-N 2.98Å; L192-T195 WeakPolarHBondContact O-CB 3.45Å; L192-T195 PolarHBondContact O-N 3.27Å; L192-T195 VanDerWaalsContact O-N 3.15Å; L192-F196 WeakPolarHBondContact O-CD2 3.39Å; L192-F196 PolarHBondContact O-N 3.42Å; L192-V223 HydrophobicContact CB-CG1 4.04Å
193	Y	97.3	Very high	94.1	Very high	8 Å²	8	48.4 Å²	48.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-53.3	-52.7	172.6	171.8	-86.5	0	0	0	111.6	L189 I191 T195 F196 K197 L224 Y226 D227 P228	L189-Y193 PolarHBondContact O-N 3Å; I191-Y193 PolarHBondContact O-N 3.25Å; Y193-T195 PolarHBondContact O-N 2.87Å; Y193-F196 PolarHBondContact O-N 3.31Å; Y193-K197 HydrophobicContact CE1-CB 4.45Å; Y193-K197 HydrophobicContact CE1-CD 3.71Å; Y193-K197 VanDerWaalsContact O-CB 3.23Å; Y193-K197 WeakPolarHBondContact O-CB 3.38Å; Y193-K197 PolarHBondContact O-N 3.2Å; Y193-L224 HydrophobicContact CD2-CD2 4.42Å; Y193-L224 HydrophobicContact CE2-CD2 4.33Å; Y193-Y226 VanDerWaalsContact CB-O 3.26Å; Y193-Y226 WeakPolarHBondContact CB-O 3.48Å; Y193-D227 HydrophobicContact CD2-CB 4.17Å; Y193-D227 HydrophobicContact CE1-CB 4.32Å; Y193-D227 HydrophobicContact CE2-CB 3.58Å; Y193-D227 PolarHBondContact OH-OD2 3.23Å; Y193-P228 HydrophobicContact CD1-CG 4.14Å
194	R	95.8	Very high	93.7	Very high	108 Å²	108	45.7 Å²	45.7	41%	0.408	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-37.1	179.9	-70.5	-178.5	-173.7	95.9	-3.7	111.6	H152 H190 I191 L192 S198	H152-R194 PolarHBondContact CE1-O 2.82Å; H190-R194 WeakPolarHBondContact O-CG 3.48Å; H190-R194 PolarHBondContact O-N 2.88Å; H190-R194 PolarHBondContact O-NH1 3.23Å; I191-R194 PolarHBondContact O-N 3.02Å; L192-R194 PolarHBondContact O-N 2.98Å; R194-S198 PolarHBondContact O-N 2.91Å; R194-S198 PolarHBondContact O-OG 3.21Å
195	T	94.3	Very high	93.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-53.9	177.6	-57.3	0	0	0	0	111.4	I151 H152 I155 L173 I191 L192 Y193 K197 S198 I199	I151-T195 HydrophobicContact CG2-CG2 4.35Å; H152-T195 WeakPolarHBondContact CB-OG1 3.35Å; H152-T195 WeakPolarHBondContact ND1-CA 3.29Å; H152-T195 PolarHBondContact ND1-N 2.93Å; H152-T195 PolarHBondContact ND1-OG1 2.89Å; I155-T195 HydrophobicContact CD1-CG2 3.39Å; L173-T195 HydrophobicContact CD1-CG2 4.41Å; I191-T195 WeakPolarHBondContact O-CB 3.33Å; I191-T195 PolarHBondContact O-N 3.46Å; I191-T195 PolarHBondContact O-OG1 3.2Å; L192-T195 WeakPolarHBondContact O-CB 3.45Å; L192-T195 PolarHBondContact O-N 3.27Å; L192-T195 VanDerWaalsContact O-N 3.15Å; Y193-T195 PolarHBondContact O-N 2.87Å; T195-K197 VanDerWaalsContact C-N 3.3Å; T195-K197 PolarHBondContact O-N 3.45Å; T195-S198 WeakPolarHBondContact O-CB 3.37Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; T195-I199 HydrophobicContact CG2-CD1 4.4Å; T195-I199 WeakPolarHBondContact O-CG1 3.49Å; T195-I199 PolarHBondContact O-N 3.4Å
196	F	95.7	Very high	92.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-38.6	177.7	-87.1	-101.3	0	0	0	111.8	I170 L173 L174 L192 Y193 S198 I199 F200 L211 V220 V223	I170-F196 HydrophobicContact CG2-CE1 4.31Å; I170-F196 HydrophobicContact CG2-CZ 4.46Å; L173-F196 HydrophobicContact CB-CE2 3.9Å; L173-F196 HydrophobicContact CB-CZ 4.1Å; L173-F196 HydrophobicContact CD1-CE2 4.36Å; L174-F196 HydrophobicContact CD2-CE1 3.81Å; L174-F196 HydrophobicContact CD2-CE2 4.35Å; L174-F196 HydrophobicContact CD2-CZ 3.44Å; L174-F196 VanDerWaalsContact CD2-CZ 3.44Å; L174-F196 HydrophobicContact CG-CE1 4.49Å; L174-F196 HydrophobicContact CG-CZ 3.99Å; L192-F196 WeakPolarHBondContact O-CD2 3.39Å; L192-F196 PolarHBondContact O-N 3.42Å; Y193-F196 PolarHBondContact O-N 3.31Å; F196-S198 PolarHBondContact O-N 2.89Å; F196-I199 WeakPolarHBondContact O-CB 3.32Å; F196-I199 PolarHBondContact O-N 3.12Å; F196-I199 VanDerWaalsContact O-N 3.13Å; F196-F200 WeakPolarHBondContact O-CD2 3.27Å; F196-F200 PolarHBondContact O-N 3.12Å; F196-L211 HydrophobicContact CD1-CD2 3.94Å; F196-L211 HydrophobicContact CE1-CD2 3.89Å; F196-V220 HydrophobicContact CD1-CG1 4.3Å; F196-V220 HydrophobicContact CE1-CG2 4.1Å; F196-V223 HydrophobicContact CB-CG1 3.93Å; F196-V223 HydrophobicContact CD2-CB 4.29Å; F196-V223 HydrophobicContact CD2-CG1 3.6Å; F196-V223 HydrophobicContact CD2-CG2 4.18Å; F196-V223 HydrophobicContact CE2-CG1 4.27Å; F196-V223 HydrophobicContact CE2-CG2 4.05Å; F196-V223 HydrophobicContact CG-CB 4.31Å; F196-V223 HydrophobicContact CG-CG1 3.81Å; F196-V223 HydrophobicContact CZ-CG2 4.33Å
197	K	94.4	Very high	92.6	Very high	70 Å²	70	36.5 Å²	36.5	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-55.8	-49.4	171.3	-177.1	166.5	-172.5	171.4	0	111.4	Y193 T195 I199 F200 Y201 F275	Y193-K197 HydrophobicContact CE1-CB 4.45Å; Y193-K197 HydrophobicContact CE1-CD 3.71Å; Y193-K197 VanDerWaalsContact O-CB 3.23Å; Y193-K197 WeakPolarHBondContact O-CB 3.38Å; Y193-K197 PolarHBondContact O-N 3.2Å; T195-K197 VanDerWaalsContact C-N 3.3Å; T195-K197 PolarHBondContact O-N 3.45Å; K197-I199 VanDerWaalsContact C-N 3.32Å; K197-I199 PolarHBondContact O-N 3.48Å; K197-F200 PolarHBondContact O-N 3.39Å; K197-Y201 HydrophobicContact CD-CE2 4.18Å; K197-Y201 HydrophobicContact CG-CD2 3.76Å; K197-Y201 HydrophobicContact CG-CE2 3.52Å; K197-Y201 WeakPolarHBondContact O-CD2 3.49Å; K197-Y201 PolarHBondContact O-N 2.96Å; K197-F275 HydrophobicContact CD-CE1 4.48Å; K197-F275 HydrophobicContact CG-CE1 4.04Å
198	S	91	Very high	92.4	Very high	26 Å²	26	30.9 Å²	30.9	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-41.9	174.1	-66.2	0	0	0	0	112.2	H152 T156 R194 T195 F196 F200 Y201 L202	H152-S198 PolarHBondContact CE1-OG 3.42Å; T156-S198 PolarHBondContact OG1-OG 3.5Å; R194-S198 PolarHBondContact O-N 2.91Å; R194-S198 PolarHBondContact O-OG 3.21Å; T195-S198 WeakPolarHBondContact O-CB 3.37Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; F196-S198 PolarHBondContact O-N 2.89Å; S198-F200 PolarHBondContact O-N 3.25Å; S198-Y201 CarbonylContact O-C 3.58Å; S198-Y201 PolarHBondContact O-N 3.26Å; S198-Y201 VanDerWaalsContact O-N 3.16Å; S198-L202 PolarHBondContact O-N 3.27Å
199	I	91.5	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-45	176.6	-61.2	171	0	0	0	111.1	I155 F166 I170 L173 T195 F196 K197 Y201 L202 L207 L211	I155-I199 HydrophobicContact CD1-CD1 4.13Å; I155-I199 HydrophobicContact CD1-CG1 4.21Å; I155-I199 HydrophobicContact CG2-CG1 3.79Å; F166-I199 HydrophobicContact CE1-CG1 4.39Å; I170-I199 HydrophobicContact CD1-CG2 4.38Å; I170-I199 HydrophobicContact CG1-CD1 4.37Å; L173-I199 HydrophobicContact CD1-CD1 4.33Å; T195-I199 HydrophobicContact CG2-CD1 4.4Å; T195-I199 WeakPolarHBondContact O-CG1 3.49Å; T195-I199 PolarHBondContact O-N 3.4Å; F196-I199 WeakPolarHBondContact O-CB 3.32Å; F196-I199 PolarHBondContact O-N 3.12Å; F196-I199 VanDerWaalsContact O-N 3.13Å; K197-I199 VanDerWaalsContact C-N 3.32Å; K197-I199 PolarHBondContact O-N 3.48Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.37Å; I199-L202 WeakPolarHBondContact O-CB 3.03Å; I199-L202 PolarHBondContact O-N 2.91Å; I199-L207 HydrophobicContact CG2-CD1 4.11Å; I199-L207 HydrophobicContact CG2-CD2 4.42Å; I199-L211 HydrophobicContact CG2-CD1 3.94Å; I199-L211 HydrophobicContact CG2-CD2 4.49Å
200	F	92.4	Very high	91.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-44.6	174.7	-83.4	-75.2	0	0	0	111.2	F196 K197 S198 L202 N203 M208 L211 F212 V220 L224 V270 F275 L286	F196-F200 WeakPolarHBondContact O-CD2 3.27Å; F196-F200 PolarHBondContact O-N 3.12Å; K197-F200 PolarHBondContact O-N 3.39Å; S198-F200 PolarHBondContact O-N 3.25Å; F200-L202 PolarHBondContact O-N 3.5Å; F200-N203 WeakPolarHBondContact O-CA 3.43Å; F200-N203 PolarHBondContact O-N 3.2Å; F200-M208 HydrophobicContact CD1-CE 4Å; F200-M208 HydrophobicContact CD1-SD 3.83Å; F200-M208 HydrophobicContact CE1-SD 4.15Å; F200-M208 WeakPolarHBondContact O-CE 3.09Å; F200-L211 HydrophobicContact CD1-CD1 3.91Å; F200-L211 HydrophobicContact CD2-CD1 4.32Å; F200-L211 HydrophobicContact CE1-CB 4.4Å; F200-L211 HydrophobicContact CE1-CD1 3.72Å; F200-L211 HydrophobicContact CE2-CD1 4.13Å; F200-L211 HydrophobicContact CG-CD1 4.21Å; F200-L211 HydrophobicContact CZ-CB 4.28Å; F200-L211 HydrophobicContact CZ-CD1 3.84Å; F200-L211 HydrophobicContact CZ-CG 4.48Å; F200-F212 AromaticContact CE1-CE1 3.69Å; F200-F212 HydrophobicContact CE1-CE1 3.69Å; F200-F212 AromaticContact CE1-CZ 3.67Å; F200-F212 HydrophobicContact CE1-CZ 3.67Å; F200-F212 HydrophobicContact CZ-CE1 4.1Å; F200-V220 HydrophobicContact CE2-CG1 3.85Å; F200-V220 HydrophobicContact CZ-CG1 3.71Å; F200-L224 HydrophobicContact CD2-CD2 4.47Å; F200-L224 HydrophobicContact CE2-CD1 3.79Å; F200-L224 HydrophobicContact CE2-CD2 4.27Å; F200-L224 HydrophobicContact CE2-CG 4.45Å; F200-L224 HydrophobicContact CZ-CD1 4.22Å; F200-V270 HydrophobicContact CE1-CG1 4.31Å; F200-V270 HydrophobicContact CZ-CG1 4.33Å; F200-F275 HydrophobicContact CB-CE2 4.22Å; F200-F275 HydrophobicContact CB-CZ 4.18Å; F200-F275 HydrophobicContact CD1-CE2 4.11Å; F200-F275 AromaticContact CD2-CE2 3.57Å; F200-F275 HydrophobicContact CD2-CE2 3.57Å; F200-F275 AromaticContact CD2-CZ 3.67Å; F200-F275 HydrophobicContact CD2-CZ 3.67Å; F200-F275 HydrophobicContact CE1-CE2 4.39Å; F200-F275 AromaticContact CE2-CE2 3.91Å; F200-F275 HydrophobicContact CE2-CE2 3.91Å; F200-F275 HydrophobicContact CE2-CZ 4.3Å; F200-F275 HydrophobicContact CG-CD2 4.48Å; F200-F275 AromaticContact CG-CE2 3.7Å; F200-F275 HydrophobicContact CG-CE2 3.7Å; F200-F275 AromaticContact CG-CZ 3.99Å; F200-F275 HydrophobicContact CG-CZ 3.99Å; F200-F275 HydrophobicContact CZ-CE2 4.3Å; F200-L286 WeakPolarHBondContact O-CD2 3.46Å
201	Y	90.2	Very high	91.7	Very high	119 Å²	119	34.5 Å²	34.5	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-71	-11.6	179.8	-76.6	-66.1	0	0	0	115.1	K197 S198 I199 N203 F275 L286	K197-Y201 HydrophobicContact CD-CE2 4.18Å; K197-Y201 HydrophobicContact CG-CD2 3.76Å; K197-Y201 HydrophobicContact CG-CE2 3.52Å; K197-Y201 WeakPolarHBondContact O-CD2 3.49Å; K197-Y201 PolarHBondContact O-N 2.96Å; S198-Y201 CarbonylContact O-C 3.58Å; S198-Y201 PolarHBondContact O-N 3.26Å; S198-Y201 VanDerWaalsContact O-N 3.16Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.37Å; Y201-N203 PolarHBondContact O-N 2.94Å; Y201-F275 HydrophobicContact CE2-CE1 4.47Å; Y201-L286 HydrophobicContact CD1-CD2 4.07Å; Y201-L286 HydrophobicContact CE1-CD2 4.41Å
202	L	87.4	Confident	91.7	Very high	51 Å²	51	34 Å²	34	27%	0.267	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.1	165	-63.8	176.7	0	0	0	111.4	F166 S198 I199 F200 K204 L207	F166-L202 HydrophobicContact CE2-CD1 4.47Å; F166-L202 HydrophobicContact CZ-CD1 4.08Å; S198-L202 PolarHBondContact O-N 3.27Å; I199-L202 WeakPolarHBondContact O-CB 3.03Å; I199-L202 PolarHBondContact O-N 2.91Å; F200-L202 PolarHBondContact O-N 3.5Å; L202-K204 HydrophobicContact CB-CG 4.44Å; L202-K204 WeakPolarHBondContact O-CG 3.35Å; L202-K204 PolarHBondContact O-N 2.95Å; L202-L207 HydrophobicContact CB-CD1 3.88Å; L202-L207 HydrophobicContact CD1-CD1 3.65Å; L202-L207 HydrophobicContact CG-CD1 4.4Å
203	N	86.9	Confident	91.5	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	17%	0.17	C	C	.	.			trans	45.1	59.3	174.8	-167.1	38.8	0	0	0	111.6	F200 Y201 M285 L286 S287 F288	F200-N203 WeakPolarHBondContact O-CA 3.43Å; F200-N203 PolarHBondContact O-N 3.2Å; Y201-N203 PolarHBondContact O-N 2.94Å; N203-M285 PolarHBondContact ND2-O 3.37Å; N203-L286 HydrophobicContact CB-CD2 4.5Å; N203-S287 PolarHBondContact ND2-OG 3.34Å; N203-S287 PolarHBondContact OD1-N 3.36Å; N203-F288 WeakPolarHBondContact O-CD2 3.29Å; N203-F288 WeakPolarHBondContact O-CE2 3.41Å; N203-F288 WeakPolarHBondContact OD1-CD2 3.29Å; N203-F288 PolarHBondContact OD1-N 3.17Å
204	K	86.6	Confident	91.1	Very high	66 Å²	66	37.6 Å²	37.6	29%	0.287	19%	0.192	S	C	.	.			trans	-117.1	135.8	176.7	-61.3	-62.9	-170.4	173.7	0	110.3	E160 M163 L202 A206 L207 M208	E160-K204 IonicContact OE1-NZ 3.33Å; E160-K204 PolarHBondContact OE1-NZ 3.47Å; M163-K204 HydrophobicContact CE-CB 3.71Å; M163-K204 HydrophobicContact CE-CG 4.13Å; M163-K204 HydrophobicContact SD-CB 4.15Å; M163-K204 HydrophobicContact SD-CG 3.91Å; L202-K204 HydrophobicContact CB-CG 4.44Å; L202-K204 WeakPolarHBondContact O-CG 3.35Å; L202-K204 PolarHBondContact O-N 2.95Å; K204-A206 PolarHBondContact O-N 2.89Å; K204-L207 HydrophobicContact CB-CB 4.46Å; K204-L207 HydrophobicContact CB-CD1 4.13Å; K204-L207 HydrophobicContact CB-CG 4.26Å; K204-L207 HydrophobicContact CG-CD1 4.39Å; K204-L207 PolarHBondContact O-N 3.3Å; K204-L207 VanDerWaalsContact O-N 3.13Å; K204-M208 WeakPolarHBondContact O-CG 3.06Å; K204-M208 PolarHBondContact O-N 2.83Å; K204-M208 VanDerWaalsContact O-N 3.1Å
205	S	87.4	Confident	90.9	Very high	45 Å²	45	38.8 Å²	38.8	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-52.8	-51.5	-177.9	-166	0	0	0	0	113	L207 M208 E209	S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 2.76Å; S205-M208 WeakPolarHBondContact O-CB 3.4Å; S205-M208 PolarHBondContact O-N 3.36Å; S205-E209 PolarHBondContact O-N 2.99Å; S205-E209 PolarHBondContact OG-OE1 2.81Å
206	A	86.5	Confident	90.9	Very high	48 Å²	48	40.6 Å²	40.6	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-33.6	-178.2	0	0	0	0	0	113.2	M163 K204 I210	M163-A206 HydrophobicContact CE-CB 3.89Å; K204-A206 PolarHBondContact O-N 2.89Å; A206-I210 VanDerWaalsContact O-CD1 3.29Å; A206-I210 WeakPolarHBondContact O-CD1 3.39Å; A206-I210 WeakPolarHBondContact O-CG1 3.38Å; A206-I210 PolarHBondContact O-N 3.49Å
207	L	89.2	Confident	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-42	174.7	-68.7	175.5	0	0	0	111.2	M163 F166 I170 I199 L202 K204 S205 E209 I210 L211	M163-L207 HydrophobicContact CE-CD1 4.23Å; M163-L207 HydrophobicContact CE-CD2 4.22Å; M163-L207 HydrophobicContact CE-CG 3.67Å; M163-L207 HydrophobicContact SD-CD1 3.94Å; M163-L207 HydrophobicContact SD-CD2 4.41Å; M163-L207 HydrophobicContact SD-CG 3.99Å; F166-L207 HydrophobicContact CB-CD2 3.45Å; F166-L207 VanDerWaalsContact CB-CD2 3.45Å; F166-L207 HydrophobicContact CD1-CD2 4.21Å; F166-L207 HydrophobicContact CD2-CD2 4.15Å; F166-L207 HydrophobicContact CG-CD2 3.7Å; I170-L207 HydrophobicContact CD1-CD2 4.15Å; I199-L207 HydrophobicContact CG2-CD1 4.11Å; I199-L207 HydrophobicContact CG2-CD2 4.42Å; L202-L207 HydrophobicContact CB-CD1 3.88Å; L202-L207 HydrophobicContact CD1-CD1 3.65Å; L202-L207 HydrophobicContact CG-CD1 4.4Å; K204-L207 HydrophobicContact CB-CB 4.46Å; K204-L207 HydrophobicContact CB-CD1 4.13Å; K204-L207 HydrophobicContact CB-CG 4.26Å; K204-L207 HydrophobicContact CG-CD1 4.39Å; K204-L207 PolarHBondContact O-N 3.3Å; K204-L207 VanDerWaalsContact O-N 3.13Å; S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 2.76Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 2.92Å; L207-I210 PolarHBondContact O-N 3.4Å; L207-I210 VanDerWaalsContact O-N 3.16Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.01Å
208	M	91.1	Very high	91	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-40.6	177.9	-63.6	-63.5	172.7	0	0	111.4	F200 K204 S205 I210 L211 F212 L286 F288 I292	F200-M208 HydrophobicContact CD1-CE 4Å; F200-M208 HydrophobicContact CD1-SD 3.83Å; F200-M208 HydrophobicContact CE1-SD 4.15Å; F200-M208 WeakPolarHBondContact O-CE 3.09Å; K204-M208 WeakPolarHBondContact O-CG 3.06Å; K204-M208 PolarHBondContact O-N 2.83Å; K204-M208 VanDerWaalsContact O-N 3.1Å; S205-M208 WeakPolarHBondContact O-CB 3.4Å; S205-M208 PolarHBondContact O-N 3.36Å; M208-I210 VanDerWaalsContact C-N 3.32Å; M208-I210 PolarHBondContact O-N 3.24Å; M208-L211 PolarHBondContact O-N 3.45Å; M208-F212 HydrophobicContact CB-CD2 4.16Å; M208-F212 HydrophobicContact CB-CE2 4.1Å; M208-F212 VanDerWaalsContact O-CB 3.29Å; M208-F212 WeakPolarHBondContact O-CB 3.33Å; M208-F212 VanDerWaalsContact O-CD2 3.27Å; M208-F212 WeakPolarHBondContact O-CD2 3.49Å; M208-F212 WeakPolarHBondContact O-CG 3.49Å; M208-F212 PolarHBondContact O-N 2.83Å; M208-F212 HydrophobicContact SD-CE2 3.91Å; M208-F212 HydrophobicContact SD-CZ 4.18Å; M208-L286 HydrophobicContact CE-CD2 4.29Å; M208-F288 HydrophobicContact CG-CB 4.06Å; M208-I292 HydrophobicContact CB-CD1 3.45Å; M208-I292 VanDerWaalsContact CB-CD1 3.45Å; M208-I292 HydrophobicContact CG-CD1 4.48Å
209	E	89.7	Confident	91.3	Very high	124 Å²	124	40.5 Å²	40.5	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-59.6	-41.9	172.9	-72.5	173.1	-152.7	0	0	112.2	S205 L207 A213	S205-E209 PolarHBondContact O-N 2.99Å; S205-E209 PolarHBondContact OG-OE1 2.81Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 2.92Å; E209-A213 PolarHBondContact O-N 3.1Å
210	I	91.5	Very high	91.6	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-50.4	176.7	-66.4	159.6	0	0	0	110.4	F167 I170 A206 L207 M208 F212 A213 R216	F167-I210 HydrophobicContact CB-CD1 4.08Å; F167-I210 HydrophobicContact CD2-CD1 3.86Å; F167-I210 HydrophobicContact CD2-CG1 3.9Å; F167-I210 HydrophobicContact CG-CD1 4.45Å; I170-I210 HydrophobicContact CB-CG2 4.11Å; I170-I210 HydrophobicContact CD1-CB 4.3Å; I170-I210 HydrophobicContact CD1-CG2 3.64Å; I170-I210 HydrophobicContact CG1-CG2 4.46Å; I170-I210 HydrophobicContact CG2-CG2 4.1Å; A206-I210 VanDerWaalsContact O-CD1 3.29Å; A206-I210 WeakPolarHBondContact O-CD1 3.39Å; A206-I210 WeakPolarHBondContact O-CG1 3.38Å; A206-I210 PolarHBondContact O-N 3.49Å; L207-I210 PolarHBondContact O-N 3.4Å; L207-I210 VanDerWaalsContact O-N 3.16Å; M208-I210 VanDerWaalsContact C-N 3.32Å; M208-I210 PolarHBondContact O-N 3.24Å; I210-F212 VanDerWaalsContact C-N 3.34Å; I210-F212 PolarHBondContact O-N 3.43Å; I210-A213 WeakPolarHBondContact O-CB 3.43Å; I210-A213 PolarHBondContact O-N 3.38Å; I210-R216 VanDerWaalsContact O-CZ 3.23Å; I210-R216 PolarHBondContact O-NE 3.02Å; I210-R216 PolarHBondContact O-NH2 3.47Å
211	L	94.6	Very high	91.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-36.6	-177.2	-68.7	170.3	0	0	0	112.5	I170 F196 I199 F200 L207 M208 V220	I170-L211 HydrophobicContact CD1-CD2 4.08Å; I170-L211 HydrophobicContact CD1-CG 4.39Å; I170-L211 HydrophobicContact CG2-CD2 4.3Å; F196-L211 HydrophobicContact CD1-CD2 3.94Å; F196-L211 HydrophobicContact CE1-CD2 3.89Å; I199-L211 HydrophobicContact CG2-CD1 3.94Å; I199-L211 HydrophobicContact CG2-CD2 4.49Å; F200-L211 HydrophobicContact CD1-CD1 3.91Å; F200-L211 HydrophobicContact CD2-CD1 4.32Å; F200-L211 HydrophobicContact CE1-CB 4.4Å; F200-L211 HydrophobicContact CE1-CD1 3.72Å; F200-L211 HydrophobicContact CE2-CD1 4.13Å; F200-L211 HydrophobicContact CG-CD1 4.21Å; F200-L211 HydrophobicContact CZ-CB 4.28Å; F200-L211 HydrophobicContact CZ-CD1 3.84Å; F200-L211 HydrophobicContact CZ-CG 4.48Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.01Å; M208-L211 PolarHBondContact O-N 3.45Å; L211-V220 HydrophobicContact CD2-CG1 4.24Å; L211-V220 HydrophobicContact CD2-CG2 4.1Å
212	F	94.8	Very high	92.3	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.2	-177.9	-60.4	-36.3	0	0	0	114.8	F200 M208 I210 L217 Q263 I267 V270 M289 I292	F200-F212 AromaticContact CE1-CE1 3.69Å; F200-F212 HydrophobicContact CE1-CE1 3.69Å; F200-F212 AromaticContact CE1-CZ 3.67Å; F200-F212 HydrophobicContact CE1-CZ 3.67Å; F200-F212 HydrophobicContact CZ-CE1 4.1Å; M208-F212 HydrophobicContact CB-CD2 4.16Å; M208-F212 HydrophobicContact CB-CE2 4.1Å; M208-F212 VanDerWaalsContact O-CB 3.29Å; M208-F212 WeakPolarHBondContact O-CB 3.33Å; M208-F212 VanDerWaalsContact O-CD2 3.27Å; M208-F212 WeakPolarHBondContact O-CD2 3.49Å; M208-F212 WeakPolarHBondContact O-CG 3.49Å; M208-F212 PolarHBondContact O-N 2.83Å; M208-F212 HydrophobicContact SD-CE2 3.91Å; M208-F212 HydrophobicContact SD-CZ 4.18Å; I210-F212 VanDerWaalsContact C-N 3.34Å; I210-F212 PolarHBondContact O-N 3.43Å; F212-L217 HydrophobicContact CD1-CD1 3.88Å; F212-Q263 PolarHBondContact O-NE2 3.3Å; F212-I267 HydrophobicContact CB-CD1 3.78Å; F212-I267 HydrophobicContact CB-CG1 4.02Å; F212-I267 HydrophobicContact CD1-CG1 3.88Å; F212-I267 HydrophobicContact CD2-CD1 4.1Å; F212-I267 HydrophobicContact CD2-CG1 4.16Å; F212-I267 HydrophobicContact CD2-CG2 4.04Å; F212-I267 HydrophobicContact CE1-CG1 4.37Å; F212-I267 HydrophobicContact CE1-CG2 4.3Å; F212-I267 HydrophobicContact CE2-CG2 3.81Å; F212-I267 HydrophobicContact CG-CD1 3.91Å; F212-I267 HydrophobicContact CG-CG1 3.77Å; F212-I267 HydrophobicContact CG-CG2 4.42Å; F212-I267 HydrophobicContact CZ-CG2 3.95Å; F212-V270 HydrophobicContact CE1-CG1 4.25Å; F212-M289 HydrophobicContact CE1-SD 4.41Å; F212-M289 HydrophobicContact CE2-CB 4.22Å; F212-M289 HydrophobicContact CE2-CG 3.86Å; F212-M289 HydrophobicContact CE2-SD 4.15Å; F212-M289 HydrophobicContact CZ-CB 4.44Å; F212-M289 HydrophobicContact CZ-CG 3.84Å; F212-M289 HydrophobicContact CZ-SD 3.48Å; F212-M289 WeakPolarHBondContact CZ-SD 3.34Å; F212-I292 HydrophobicContact CD2-CD1 3.9Å; F212-I292 HydrophobicContact CD2-CG2 4.48Å; F212-I292 HydrophobicContact CE2-CD1 4.29Å
213	A	92.3	Very high	92.8	Very high	10 Å²	10	32.4 Å²	32.4	8%	0.083	17%	0.174	C	C	.	.			trans	-57.2	133.9	171.3	0	0	0	0	0	110.6	E209 I210 E215 R216 L217	E209-A213 PolarHBondContact O-N 3.1Å; I210-A213 WeakPolarHBondContact O-CB 3.43Å; I210-A213 PolarHBondContact O-N 3.38Å; A213-E215 PolarHBondContact O-N 3.06Å; A213-E215 VanDerWaalsContact O-N 3.1Å; A213-R216 PolarHBondContact O-N 3.45Å; A213-L217 PolarHBondContact O-N 2.86Å
214	P	89.4	Confident	93.3	Very high	75 Å²	75	31 Å²	31	49%	0.487	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-37.7	-171.5	-28.9	35.3	0	0	0	114.8
215	E	91.8	Very high	93.9	Very high	132 Å²	132	28.4 Å²	28.4	62%	0.617	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.3	-178.4	65.8	-80.4	-173.8	0	0	114.1	A213	A213-E215 PolarHBondContact O-N 3.06Å; A213-E215 VanDerWaalsContact O-N 3.1Å
216	R	94.4	Very high	94.3	Very high	38 Å²	38	27.6 Å²	27.6	14%	0.143	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-23	-178.9	-72.4	-178.6	-70.3	-126.6	-7.4	113.5	L174 I210 A213 I218 D219 V220	L174-R216 HydrophobicContact CD1-CB 3.96Å; L174-R216 HydrophobicContact CD1-CG 3.84Å; I210-R216 VanDerWaalsContact O-CZ 3.23Å; I210-R216 PolarHBondContact O-NE 3.02Å; I210-R216 PolarHBondContact O-NH2 3.47Å; A213-R216 PolarHBondContact O-N 3.45Å; R216-I218 VanDerWaalsContact C-N 3.26Å; R216-I218 PolarHBondContact O-N 2.83Å; R216-I218 VanDerWaalsContact O-N 3.16Å; R216-D219 PolarHBondContact O-N 2.99Å; R216-V220 HydrophobicContact CB-CG2 4.4Å; R216-V220 WeakPolarHBondContact O-CG2 3.35Å; R216-V220 PolarHBondContact O-N 3.04Å
217	L	95.6	Very high	94.8	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-56.2	-37.7	-168.8	-178.3	56.5	0	0	0	113.6	F212 A213 I221 W241 R266	F212-L217 HydrophobicContact CD1-CD1 3.88Å; A213-L217 PolarHBondContact O-N 2.86Å; L217-I221 HydrophobicContact CD1-CD1 3.86Å; L217-I221 HydrophobicContact CD1-CG1 4.21Å; L217-I221 HydrophobicContact CG-CD1 4.02Å; L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.3Å; L217-I221 PolarHBondContact O-N 2.94Å; L217-W241 HydrophobicContact CG-CH2 4.4Å; L217-R266 HydrophobicContact CD2-CB 3.69Å; L217-R266 HydrophobicContact CD2-CG 4.47Å; L217-R266 HydrophobicContact CG-CB 4.49Å
218	I	96.9	Very high	95.1	Very high	59 Å²	59	28.4 Å²	28.4	30%	0.303	15%	0.145	S	C	.	.	H	α-helix	trans	-63.8	-42.7	177.7	-170.5	170.4	0	0	0	111.9	R216 I221 G222 R237 W241	R216-I218 VanDerWaalsContact C-N 3.26Å; R216-I218 PolarHBondContact O-N 2.83Å; R216-I218 VanDerWaalsContact O-N 3.16Å; I218-I221 PolarHBondContact O-N 3.46Å; I218-G222 PolarHBondContact O-N 3.35Å; I218-R237 HydrophobicContact CG1-CG 4.18Å; I218-R237 WeakPolarHBondContact O-CD 3.32Å; I218-W241 HydrophobicContact CB-CH2 3.79Å; I218-W241 HydrophobicContact CB-CZ2 3.66Å; I218-W241 HydrophobicContact CB-CZ3 4.38Å; I218-W241 HydrophobicContact CD1-CD2 4.08Å; I218-W241 HydrophobicContact CD1-CG 4.34Å; I218-W241 HydrophobicContact CD1-CZ2 4.35Å; I218-W241 HydrophobicContact CG1-CD2 4.26Å; I218-W241 HydrophobicContact CG1-CE3 4.28Å; I218-W241 HydrophobicContact CG1-CH2 4.11Å; I218-W241 HydrophobicContact CG1-CZ2 4.06Å; I218-W241 HydrophobicContact CG1-CZ3 4.21Å
219	D	98	Very high	95.2	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.171	18%	0.178	C	C	.	.	H	α-helix	trans	-74	-39.2	-178.6	-60.7	-39	0	0	0	111	L174 H178 R216 I221 G222 V223	L174-D219 HydrophobicContact CB-CB 4.5Å; L174-D219 HydrophobicContact CD1-CB 4.23Å; L174-D219 HydrophobicContact CD2-CB 3.87Å; L174-D219 HydrophobicContact CG-CB 4.41Å; H178-D219 IonicContact CD2-OD1 3.67Å; H178-D219 IonicContact CE1-OD1 2.76Å; H178-D219 IonicContact CE1-OD2 3.4Å; H178-D219 PolarHBondContact CE1-OD2 3.32Å; H178-D219 IonicContact NE2-OD1 3.02Å; H178-D219 PolarHBondContact NE2-OD1 3.24Å; H178-D219 IonicContact NE2-OD2 3.49Å; H178-D219 PolarHBondContact NE2-OD2 3.2Å; R216-D219 PolarHBondContact O-N 2.99Å; D219-I221 VanDerWaalsContact C-N 3.31Å; D219-I221 PolarHBondContact O-N 3.45Å; D219-G222 CarbonylContact O-C 3.56Å; D219-G222 WeakPolarHBondContact O-CA 3.44Å; D219-G222 PolarHBondContact O-N 3.25Å; D219-V223 WeakPolarHBondContact O-CG2 3.34Å; D219-V223 PolarHBondContact O-N 3.37Å
220	V	97.9	Very high	95.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-45.8	172.8	173.8	0	0	0	0	110.5	L174 F196 F200 L211 R216 G222 V223 L224	L174-V220 HydrophobicContact CD1-CG2 4.26Å; L174-V220 HydrophobicContact CD2-CG2 4.19Å; F196-V220 HydrophobicContact CD1-CG1 4.3Å; F196-V220 HydrophobicContact CE1-CG2 4.1Å; F200-V220 HydrophobicContact CE2-CG1 3.85Å; F200-V220 HydrophobicContact CZ-CG1 3.71Å; L211-V220 HydrophobicContact CD2-CG1 4.24Å; L211-V220 HydrophobicContact CD2-CG2 4.1Å; R216-V220 HydrophobicContact CB-CG2 4.4Å; R216-V220 WeakPolarHBondContact O-CG2 3.35Å; R216-V220 PolarHBondContact O-N 3.04Å; V220-G222 VanDerWaalsContact C-N 3.3Å; V220-G222 PolarHBondContact O-N 3.31Å; V220-V223 PolarHBondContact O-N 3.32Å; V220-L224 HydrophobicContact CG1-CD1 4.48Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.41Å
221	I	98	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-36.1	175.3	-69.6	171.2	0	0	0	111	L217 I218 D219 L224 E225 H236 R237 L240 W241 V270	L217-I221 HydrophobicContact CD1-CD1 3.86Å; L217-I221 HydrophobicContact CD1-CG1 4.21Å; L217-I221 HydrophobicContact CG-CD1 4.02Å; L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.3Å; L217-I221 PolarHBondContact O-N 2.94Å; I218-I221 PolarHBondContact O-N 3.46Å; D219-I221 VanDerWaalsContact C-N 3.31Å; D219-I221 PolarHBondContact O-N 3.45Å; I221-L224 CarbonylContact O-C 3.59Å; I221-L224 WeakPolarHBondContact O-CA 3.15Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 2.75Å; I221-L224 VanDerWaalsContact O-N 3.09Å; I221-E225 WeakPolarHBondContact O-CG 3.34Å; I221-E225 PolarHBondContact O-N 2.96Å; I221-H236 HydrophobicContact CG2-CB 3.56Å; I221-R237 HydrophobicContact CB-CG 4.45Å; I221-R237 HydrophobicContact CG2-CG 4.02Å; I221-L240 HydrophobicContact CD1-CD1 3.63Å; I221-L240 HydrophobicContact CG2-CD1 4.26Å; I221-W241 HydrophobicContact CD1-CH2 4.09Å; I221-W241 HydrophobicContact CD1-CZ3 3.97Å; I221-V270 HydrophobicContact CD1-CG2 3.87Å; I221-V270 HydrophobicContact CG1-CG2 3.79Å
222	G	97.9	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.2	-47.4	172.6	0	0	0	0	0	112.8	I218 D219 V220 L224 E225 Y226 R237	I218-G222 PolarHBondContact O-N 3.35Å; D219-G222 CarbonylContact O-C 3.56Å; D219-G222 WeakPolarHBondContact O-CA 3.44Å; D219-G222 PolarHBondContact O-N 3.25Å; V220-G222 VanDerWaalsContact C-N 3.3Å; V220-G222 PolarHBondContact O-N 3.31Å; G222-L224 PolarHBondContact O-N 2.87Å; G222-E225 VanDerWaalsContact O-CB 3.31Å; G222-E225 WeakPolarHBondContact O-CB 3.43Å; G222-E225 WeakPolarHBondContact O-CG 3.47Å; G222-E225 PolarHBondContact O-N 3.1Å; G222-E225 VanDerWaalsContact O-N 3.11Å; G222-Y226 WeakPolarHBondContact O-CD2 3.39Å; G222-R237 VanDerWaalsContact CA-CD 3.43Å
223	V	98.2	Very high	94.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-39.6	174.3	178.6	0	0	0	0	111.1	L174 F177 L192 F196 D219 V220 E225 Y226	L174-V223 HydrophobicContact CD2-CG2 4.04Å; F177-V223 HydrophobicContact CB-CG2 3.85Å; F177-V223 HydrophobicContact CD1-CG2 3.9Å; F177-V223 HydrophobicContact CD2-CB 4.29Å; F177-V223 HydrophobicContact CD2-CG2 3.54Å; F177-V223 HydrophobicContact CE1-CG2 4.38Å; F177-V223 HydrophobicContact CE2-CB 4.46Å; F177-V223 HydrophobicContact CE2-CG2 4.06Å; F177-V223 HydrophobicContact CG-CG2 3.46Å; F177-V223 VanDerWaalsContact CG-CG2 3.46Å; F177-V223 HydrophobicContact CZ-CG2 4.46Å; L192-V223 HydrophobicContact CB-CG1 4.04Å; F196-V223 HydrophobicContact CB-CG1 3.93Å; F196-V223 HydrophobicContact CD2-CB 4.29Å; F196-V223 HydrophobicContact CD2-CG1 3.6Å; F196-V223 HydrophobicContact CD2-CG2 4.18Å; F196-V223 HydrophobicContact CE2-CG1 4.27Å; F196-V223 HydrophobicContact CE2-CG2 4.05Å; F196-V223 HydrophobicContact CG-CB 4.31Å; F196-V223 HydrophobicContact CG-CG1 3.81Å; F196-V223 HydrophobicContact CZ-CG2 4.33Å; D219-V223 WeakPolarHBondContact O-CG2 3.34Å; D219-V223 PolarHBondContact O-N 3.37Å; V220-V223 PolarHBondContact O-N 3.32Å; V223-E225 PolarHBondContact O-N 3.28Å; V223-Y226 PolarHBondContact O-N 3.44Å
224	L	97.9	Very high	95	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-10.4	-178.9	-62.5	173	0	0	0	114.1	Y193 F200 V220 I221 G222 Y226 V270 I274 F275	Y193-L224 HydrophobicContact CD2-CD2 4.42Å; Y193-L224 HydrophobicContact CE2-CD2 4.33Å; F200-L224 HydrophobicContact CD2-CD2 4.47Å; F200-L224 HydrophobicContact CE2-CD1 3.79Å; F200-L224 HydrophobicContact CE2-CD2 4.27Å; F200-L224 HydrophobicContact CE2-CG 4.45Å; F200-L224 HydrophobicContact CZ-CD1 4.22Å; V220-L224 HydrophobicContact CG1-CD1 4.48Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.41Å; I221-L224 CarbonylContact O-C 3.59Å; I221-L224 WeakPolarHBondContact O-CA 3.15Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 2.75Å; I221-L224 VanDerWaalsContact O-N 3.09Å; G222-L224 PolarHBondContact O-N 2.87Å; L224-Y226 VanDerWaalsContact C-N 3.25Å; L224-Y226 PolarHBondContact O-N 2.98Å; L224-V270 HydrophobicContact CD1-CG1 4.35Å; L224-I274 HydrophobicContact CB-CD1 4.17Å; L224-I274 HydrophobicContact CB-CG2 4.14Å; L224-I274 HydrophobicContact CD1-CD1 4.07Å; L224-I274 HydrophobicContact CD1-CG2 4.07Å; L224-I274 HydrophobicContact CG-CG2 4.47Å; L224-F275 HydrophobicContact CD1-CE2 3.84Å; L224-F275 HydrophobicContact CD1-CZ 4.22Å; L224-F275 HydrophobicContact CD2-CE2 4.14Å; L224-F275 HydrophobicContact CD2-CZ 3.64Å
225	E	98	Very high	95.3	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.056	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.7	173.5	-60	-167.1	143.4	0	0	112.4	I221 G222 V223 D227 P233 K234 P235 H236 R237	I221-E225 WeakPolarHBondContact O-CG 3.34Å; I221-E225 PolarHBondContact O-N 2.96Å; G222-E225 VanDerWaalsContact O-CB 3.31Å; G222-E225 WeakPolarHBondContact O-CB 3.43Å; G222-E225 WeakPolarHBondContact O-CG 3.47Å; G222-E225 PolarHBondContact O-N 3.1Å; G222-E225 VanDerWaalsContact O-N 3.11Å; V223-E225 PolarHBondContact O-N 3.28Å; E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 3.3Å; E225-P233 HydrophobicContact CB-CB 4.4Å; E225-P233 CarbonylContact O-C 3.56Å; E225-P233 WeakPolarHBondContact O-CA 3.34Å; E225-K234 WeakPolarHBondContact CB-O 3.21Å; E225-K234 WeakPolarHBondContact CG-O 3.3Å; E225-K234 PolarHBondContact O-N 3.33Å; E225-P235 VanDerWaalsContact OE1-C 3.28Å; E225-H236 HydrophobicContact CG-CB 4.09Å; E225-H236 PolarHBondContact OE1-N 2.66Å; E225-R237 WeakPolarHBondContact OE1-CB 3.1Å; E225-R237 PolarHBondContact OE1-N 2.92Å; E225-R237 IonicContact OE1-NE 2.64Å; E225-R237 IonicContact OE2-CZ 2.66Å; E225-R237 IonicContact OE2-NE 3.2Å; E225-R237 PolarHBondContact OE2-NE 3.22Å; E225-R237 IonicContact OE2-NH2 2.87Å; E225-R237 PolarHBondContact OE2-NH2 3.25Å
226	Y	97.5	Very high	95.5	Very high	28 Å²	28	43.8 Å²	43.8	11%	0.11	24%	0.241	C	C	.	.			trans	-92.4	46	-172.2	-65.6	-85	0	0	0	113.3	F177 E181 I186 L189 H190 Y193 G222 V223 L224 P228 P233	F177-Y226 AromaticContact CE2-CD2 3.96Å; F177-Y226 HydrophobicContact CE2-CD2 3.96Å; F177-Y226 AromaticContact CE2-CE2 3.72Å; F177-Y226 HydrophobicContact CE2-CE2 3.72Å; F177-Y226 HydrophobicContact CZ-CE2 4.19Å; E181-Y226 PolarHBondContact OE1-OH 3.25Å; E181-Y226 VanDerWaalsContact OE1-OH 3.08Å; I186-Y226 HydrophobicContact CD1-CE1 4.31Å; L189-Y226 HydrophobicContact CB-CD1 3.85Å; L189-Y226 HydrophobicContact CB-CD2 4.35Å; L189-Y226 HydrophobicContact CB-CE1 4.35Å; L189-Y226 HydrophobicContact CB-CG 3.84Å; L189-Y226 HydrophobicContact CD1-CD1 3.94Å; L189-Y226 HydrophobicContact CD1-CE1 3.56Å; L189-Y226 HydrophobicContact CD1-CE2 4.36Å; L189-Y226 HydrophobicContact CD1-CG 4.48Å; L189-Y226 HydrophobicContact CD2-CD2 4.22Å; L189-Y226 HydrophobicContact CD2-CE2 4.14Å; L189-Y226 HydrophobicContact CG-CD1 4.39Å; L189-Y226 HydrophobicContact CG-CE1 4.4Å; H190-Y226 PolarHBondContact CD2-O 2.95Å; Y193-Y226 VanDerWaalsContact CB-O 3.26Å; Y193-Y226 WeakPolarHBondContact CB-O 3.48Å; G222-Y226 WeakPolarHBondContact O-CD2 3.39Å; V223-Y226 PolarHBondContact O-N 3.44Å; L224-Y226 VanDerWaalsContact C-N 3.25Å; L224-Y226 PolarHBondContact O-N 2.98Å; Y226-P228 WeakPolarHBondContact O-CD 3.34Å; Y226-P233 HydrophobicContact CD1-CB 4.23Å; Y226-P233 HydrophobicContact CD1-CG 3.81Å; Y226-P233 HydrophobicContact CE1-CB 4.16Å; Y226-P233 HydrophobicContact CE1-CG 3.64Å
227	D	96.2	Very high	95.7	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.144	24%	0.243	C	C	.	.			trans	-64.1	115	174.5	-176.2	-14.7	0	0	0	111	Y193 E225 S229 C230	Y193-D227 HydrophobicContact CD2-CB 4.17Å; Y193-D227 HydrophobicContact CE1-CB 4.32Å; Y193-D227 HydrophobicContact CE2-CB 3.58Å; Y193-D227 PolarHBondContact OH-OD2 3.23Å; E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 3.3Å; D227-S229 PolarHBondContact O-N 3.38Å; D227-S229 VanDerWaalsContact OD1-CB 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.39Å; D227-S229 PolarHBondContact OD1-N 2.93Å; D227-S229 PolarHBondContact OD1-OG 3.44Å; D227-S229 PolarHBondContact OD2-OG 2.64Å; D227-C230 HydrophobicContact CB-CB 4.49Å; D227-C230 WeakPolarHBondContact O-CB 3.4Å; D227-C230 PolarHBondContact O-N 3.17Å
228	P	95	Very high	95.7	Very high	38 Å²	38	46.6 Å²	46.6	25%	0.247	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.5	-177.8	-19.4	31.6	0	0	0	114.4	H190 Y193 Y226 C230	H190-P228 HydrophobicContact CB-CB 4.37Å; H190-P228 HydrophobicContact CB-CG 3.75Å; Y193-P228 HydrophobicContact CD1-CG 4.14Å; Y226-P228 WeakPolarHBondContact O-CD 3.34Å; P228-C230 VanDerWaalsContact C-N 3.28Å
229	S	93.3	Very high	95.7	Very high	98 Å²	98	47 Å²	47	69%	0.685	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.6	173.9	71.9	0	0	0	0	113.2	D227	D227-S229 PolarHBondContact O-N 3.38Å; D227-S229 VanDerWaalsContact OD1-CB 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.39Å; D227-S229 PolarHBondContact OD1-N 2.93Å; D227-S229 PolarHBondContact OD1-OG 3.44Å; D227-S229 PolarHBondContact OD2-OG 2.64Å
230	C	91.3	Very high	95.7	Very high	33 Å²	33	45.9 Å²	45.9	22%	0.223	25%	0.249	C	C	.	.	S	Bend	trans	-98.1	146.5	179.5	-63.8	0	0	0	0	111.1	D227 P228 T232 K234	D227-C230 HydrophobicContact CB-CB 4.49Å; D227-C230 WeakPolarHBondContact O-CB 3.4Å; D227-C230 PolarHBondContact O-N 3.17Å; P228-C230 VanDerWaalsContact C-N 3.28Å; C230-T232 VanDerWaalsContact C-N 3.34Å; C230-K234 WeakPolarHBondContact SG-CE 3.41Å
231	Q	88.9	Confident	95.5	Very high	204 Å²	204	50 Å²	50	95%	0.953	26%	0.264	S	S	*	.	S	Bend	trans	-71.2	-30.5	179.5	-68.8	179.7	4.6	0	0	113
232	T	92.2	Very high	95.3	Very high	104 Å²	104	57.1 Å²	57.1	64%	0.638	30%	0.298	S	S	*	.	S	Bend	trans	-136.2	153	178.1	57.3	0	0	0	0	109.4	C230 K234	C230-T232 VanDerWaalsContact C-N 3.34Å; T232-K234 PolarHBondContact O-N 3.3Å
233	P	92.9	Very high	95.1	Very high	65 Å²	65	62.5 Å²	62.5	42%	0.422	32%	0.323	S	S	.	.			trans	-54.7	137	174.2	-24.5	34.2	0	0	0	111.7	E225 Y226	E225-P233 HydrophobicContact CB-CB 4.4Å; E225-P233 CarbonylContact O-C 3.56Å; E225-P233 WeakPolarHBondContact O-CA 3.34Å; Y226-P233 HydrophobicContact CD1-CB 4.23Å; Y226-P233 HydrophobicContact CD1-CG 3.81Å; Y226-P233 HydrophobicContact CE1-CB 4.16Å; Y226-P233 HydrophobicContact CE1-CG 3.64Å
234	K	93.6	Very high	94.7	Very high	88 Å²	88	64 Å²	64	38%	0.383	34%	0.335	S	S	.	.			trans	-82	125.4	175.5	-76	178.5	175.9	160.3	0	108.9	E225 C230 T232 H236	E225-K234 WeakPolarHBondContact CB-O 3.21Å; E225-K234 WeakPolarHBondContact CG-O 3.3Å; E225-K234 PolarHBondContact O-N 3.33Å; C230-K234 WeakPolarHBondContact SG-CE 3.41Å; T232-K234 PolarHBondContact O-N 3.3Å; K234-H236 WeakPolarHBondContact CB-NE2 3.32Å; K234-H236 PolarHBondContact O-N 3.08Å
235	P	95.2	Very high	94.4	Very high	78 Å²	78	73.2 Å²	73.2	51%	0.506	38%	0.375	S	S	.	.			trans	-81	58.9	-171.4	34.8	-38.3	0	0	0	112.4	E225 N238 F239	E225-P235 VanDerWaalsContact OE1-C 3.28Å; P235-N238 HydrophobicContact CB-CB 4.07Å; P235-N238 PolarHBondContact O-N 3.42Å; P235-F239 WeakPolarHBondContact O-CB 3.38Å; P235-F239 PolarHBondContact O-N 2.85Å
236	H	97.8	Very high	94.1	Very high	11 Å²	11	76.4 Å²	76.4	5%	0.051	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-44	-178.1	-63	-53.3	0	0	0	113	I221 E225 K234 F239 L240 Y269	I221-H236 HydrophobicContact CG2-CB 3.56Å; E225-H236 HydrophobicContact CG-CB 4.09Å; E225-H236 PolarHBondContact OE1-N 2.66Å; K234-H236 WeakPolarHBondContact CB-NE2 3.32Å; K234-H236 PolarHBondContact O-N 3.08Å; H236-F239 PolarHBondContact O-N 3.07Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.37Å; H236-L240 PolarHBondContact O-N 3.17Å; H236-Y269 HydrophobicContact CB-CE1 4.13Å; H236-Y269 AromaticContact ND1-CE1 3.43Å; H236-Y269 WeakPolarHBondContact ND1-CE1 3.3Å; H236-Y269 AromaticContact ND1-CZ 3.63Å; H236-Y269 PolarHBondContact ND1-OH 2.73Å
237	R	97.2	Very high	93.8	Very high	51 Å²	51	80.9 Å²	80.9	19%	0.192	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-49.6	175.2	-70	-177.7	-68.4	-176.5	-1.9	110.8	E181 I218 I221 G222 E225 F239 L240 W241	E181-R237 IonicContact OE1-CZ 3.36Å; E181-R237 IonicContact OE1-NH1 3.53Å; E181-R237 PolarHBondContact OE1-NH1 3.08Å; E181-R237 IonicContact OE1-NH2 2.98Å; E181-R237 PolarHBondContact OE1-NH2 3.22Å; E181-R237 IonicContact OE2-CZ 2.65Å; E181-R237 IonicContact OE2-NH1 2.74Å; E181-R237 PolarHBondContact OE2-NH1 3.33Å; E181-R237 IonicContact OE2-NH2 3.62Å; I218-R237 HydrophobicContact CG1-CG 4.18Å; I218-R237 WeakPolarHBondContact O-CD 3.32Å; I221-R237 HydrophobicContact CB-CG 4.45Å; I221-R237 HydrophobicContact CG2-CG 4.02Å; G222-R237 VanDerWaalsContact CA-CD 3.43Å; E225-R237 WeakPolarHBondContact OE1-CB 3.1Å; E225-R237 PolarHBondContact OE1-N 2.92Å; E225-R237 IonicContact OE1-NE 2.64Å; E225-R237 IonicContact OE2-CZ 2.66Å; E225-R237 IonicContact OE2-NE 3.2Å; E225-R237 PolarHBondContact OE2-NE 3.22Å; E225-R237 IonicContact OE2-NH2 2.87Å; E225-R237 PolarHBondContact OE2-NH2 3.25Å; R237-F239 VanDerWaalsContact C-N 3.33Å; R237-F239 PolarHBondContact O-N 3.41Å; R237-L240 PolarHBondContact O-N 2.69Å; R237-W241 PolarHBondContact O-N 3.44Å
238	N	96.4	Very high	93.6	Very high	50 Å²	50	83.8 Å²	83.8	27%	0.267	42%	0.422	S	S	.	.	H	α-helix	trans	-59.4	-45.2	178.1	-173.7	-92.9	0	0	0	111.1	P235 L240 E242 Q243	P235-N238 HydrophobicContact CB-CB 4.07Å; P235-N238 PolarHBondContact O-N 3.42Å; N238-L240 PolarHBondContact O-N 3.17Å; N238-E242 PolarHBondContact ND2-OE1 2.9Å; N238-E242 PolarHBondContact ND2-OE2 3.47Å; N238-E242 WeakPolarHBondContact O-CA 2.96Å; N238-E242 VanDerWaalsContact O-CB 3.31Å; N238-E242 WeakPolarHBondContact O-CB 3.45Å; N238-E242 PolarHBondContact O-N 3.36Å; N238-Q243 PolarHBondContact O-N 3.02Å; N238-Q243 WeakPolarHBondContact OD1-CG 3.41Å; N238-Q243 PolarHBondContact OD1-NE2 3.39Å
239	F	97.2	Very high	93.4	Very high	68 Å²	68	83 Å²	83	30%	0.298	42%	0.416	S	S	.	.	I	π-helix	trans	-58.8	-49.8	176.2	176.8	-98.5	0	0	0	111.6	P235 H236 R237 Q243 A244 Y269	P235-F239 WeakPolarHBondContact O-CB 3.38Å; P235-F239 PolarHBondContact O-N 2.85Å; H236-F239 PolarHBondContact O-N 3.07Å; R237-F239 VanDerWaalsContact C-N 3.33Å; R237-F239 PolarHBondContact O-N 3.41Å; F239-Q243 HydrophobicContact CD2-CB 4.3Å; F239-Q243 PolarHBondContact O-N 3.48Å; F239-A244 VanDerWaalsContact O-CB 3.23Å; F239-A244 WeakPolarHBondContact O-CB 3.46Å; F239-A244 PolarHBondContact O-N 3.27Å; F239-Y269 HydrophobicContact CD1-CD2 4.12Å; F239-Y269 AromaticContact CD1-CE2 3.4Å; F239-Y269 HydrophobicContact CD1-CE2 3.4Å; F239-Y269 VanDerWaalsContact CD1-CE2 3.4Å; F239-Y269 AromaticContact CD1-CZ 3.8Å; F239-Y269 AromaticContact CE1-CD2 3.83Å; F239-Y269 HydrophobicContact CE1-CD2 3.83Å; F239-Y269 AromaticContact CE1-CE2 3.33Å; F239-Y269 HydrophobicContact CE1-CE2 3.33Å; F239-Y269 HydrophobicContact CG-CE2 4.5Å; F239-Y269 HydrophobicContact CZ-CE2 4.37Å
240	L	96.5	Very high	93.3	Very high	8 Å²	8	78.4 Å²	78.4	4%	0.042	38%	0.384	C	S	.	.	I	π-helix	trans	-76.5	-29.8	-173	-73.5	173.5	0	0	0	115.1	I221 H236 R237 N238 Y265 R266 Y269	I221-L240 HydrophobicContact CD1-CD1 3.63Å; I221-L240 HydrophobicContact CG2-CD1 4.26Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.37Å; H236-L240 PolarHBondContact O-N 3.17Å; R237-L240 PolarHBondContact O-N 2.69Å; N238-L240 PolarHBondContact O-N 3.17Å; L240-Y265 HydrophobicContact CD2-CD1 4.11Å; L240-Y265 HydrophobicContact CD2-CE1 3.51Å; L240-R266 HydrophobicContact CD1-CG 4.47Å; L240-R266 HydrophobicContact CD2-CG 4.49Å; L240-Y269 HydrophobicContact CD1-CD1 3.72Å; L240-Y269 HydrophobicContact CD1-CE1 4.18Å; L240-Y269 HydrophobicContact CD1-CG 4.07Å; L240-Y269 HydrophobicContact CD2-CD1 4.18Å; L240-Y269 HydrophobicContact CD2-CD2 3.83Å; L240-Y269 HydrophobicContact CD2-CE2 4.4Å; L240-Y269 HydrophobicContact CD2-CG 3.7Å; L240-Y269 HydrophobicContact CG-CD1 4.17Å; L240-Y269 HydrophobicContact CG-CD2 4.48Å; L240-Y269 HydrophobicContact CG-CE1 4.41Å; L240-Y269 HydrophobicContact CG-CG 4.2Å
241	W	94.6	Very high	93.4	Very high	87 Å²	87	80.5 Å²	80.5	33%	0.33	40%	0.397	S	S	.	.	I	π-helix	trans	-105.2	-26.3	-177.4	-86.3	-102.2	0	0	0	114.4	L217 I218 I221 R237 R266	L217-W241 HydrophobicContact CG-CH2 4.4Å; I218-W241 HydrophobicContact CB-CH2 3.79Å; I218-W241 HydrophobicContact CB-CZ2 3.66Å; I218-W241 HydrophobicContact CB-CZ3 4.38Å; I218-W241 HydrophobicContact CD1-CD2 4.08Å; I218-W241 HydrophobicContact CD1-CG 4.34Å; I218-W241 HydrophobicContact CD1-CZ2 4.35Å; I218-W241 HydrophobicContact CG1-CD2 4.26Å; I218-W241 HydrophobicContact CG1-CE3 4.28Å; I218-W241 HydrophobicContact CG1-CH2 4.11Å; I218-W241 HydrophobicContact CG1-CZ2 4.06Å; I218-W241 HydrophobicContact CG1-CZ3 4.21Å; I221-W241 HydrophobicContact CD1-CH2 4.09Å; I221-W241 HydrophobicContact CD1-CZ3 3.97Å; R237-W241 PolarHBondContact O-N 3.44Å; W241-R266 VanDerWaalsContact CE2-CZ 3.49Å; W241-R266 HydrophobicContact CH2-CG 4.32Å; W241-R266 VanDerWaalsContact CZ2-CZ 3.45Å
242	E	93.7	Very high	93.6	Very high	149 Å²	149	72 Å²	72	70%	0.696	36%	0.357	S	S	*	.	I	π-helix	trans	-111.9	-39.5	-177	-59	-177.5	-160.8	0	0	113.3	N238	N238-E242 PolarHBondContact ND2-OE1 2.9Å; N238-E242 PolarHBondContact ND2-OE2 3.47Å; N238-E242 WeakPolarHBondContact O-CA 2.96Å; N238-E242 VanDerWaalsContact O-CB 3.31Å; N238-E242 WeakPolarHBondContact O-CB 3.45Å; N238-E242 PolarHBondContact O-N 3.36Å
243	Q	93	Very high	93.5	Very high	112 Å²	112	71.9 Å²	71.9	52%	0.523	36%	0.361	S	S	.	.	I	π-helix	trans	-91.8	-39	-175.4	-55.5	-172.8	5.2	0	0	113.5	N238 F239 K245	N238-Q243 PolarHBondContact O-N 3.02Å; N238-Q243 WeakPolarHBondContact OD1-CG 3.41Å; N238-Q243 PolarHBondContact OD1-NE2 3.39Å; F239-Q243 HydrophobicContact CD2-CB 4.3Å; F239-Q243 PolarHBondContact O-N 3.48Å; Q243-K245 PolarHBondContact O-N 2.72Å
244	A	91.1	Very high	93.5	Very high	31 Å²	31	70.1 Å²	70.1	26%	0.256	35%	0.351	S	S	.	.			trans	-65.4	117	-178.7	0	0	0	0	0	110	F239 Y265	F239-A244 VanDerWaalsContact O-CB 3.23Å; F239-A244 WeakPolarHBondContact O-CB 3.46Å; F239-A244 PolarHBondContact O-N 3.27Å; A244-Y265 HydrophobicContact CB-CE1 4.03Å
245	K	91.1	Very high	93.5	Very high	196 Å²	196	70.7 Å²	70.7	85%	0.852	36%	0.363	S	S	*	.			trans	-96.3	117.3	-179.2	-67.7	-178.3	-178.4	178.6	0	110.2	Q243 K247	Q243-K245 PolarHBondContact O-N 2.72Å; K245-K247 PolarHBondContact O-N 2.85Å
246	F	92.1	Very high	93.5	Very high	78 Å²	78	72.6 Å²	72.6	34%	0.342	37%	0.365	S	S	.	.			trans	-79.4	100.5	171.8	-179.1	-129.5	0	0	0	110.6	Q248 I252 T258 I261 H262	F246-Q248 HydrophobicContact CD1-CG 3.9Å; F246-Q248 HydrophobicContact CE1-CG 3.45Å; F246-Q248 VanDerWaalsContact CE1-CG 3.45Å; F246-Q248 HydrophobicContact CZ-CG 3.92Å; F246-Q248 PolarHBondContact O-N 3.48Å; F246-I252 HydrophobicContact CZ-CD1 3.9Å; F246-T258 HydrophobicContact CE1-CG2 4.08Å; F246-I261 HydrophobicContact CE2-CG2 3.72Å; F246-I261 HydrophobicContact CZ-CD1 4.39Å; F246-I261 HydrophobicContact CZ-CG2 4.16Å; F246-H262 AromaticContact CD1-CE1 3.67Å; F246-H262 AromaticContact CD1-NE2 3.61Å; F246-H262 AromaticContact CG-CE1 3.55Å; F246-H262 AromaticContact CG-NE2 3.98Å
247	K	90.8	Very high	93.4	Very high	122 Å²	122	72.1 Å²	72.1	53%	0.53	36%	0.363	S	S	.	.			trans	-85	102.6	178	-175.3	-177.7	-179.5	-178.3	0	109.9	K245 V249 D330	K245-K247 PolarHBondContact O-N 2.85Å; K247-V249 HydrophobicContact CG-CG1 4.48Å; K247-V249 PolarHBondContact O-N 3.14Å; K247-D330 WeakPolarHBondContact CE-OD2 3.48Å; K247-D330 IonicContact NZ-OD1 3.23Å; K247-D330 PolarHBondContact NZ-OD1 3.1Å; K247-D330 IonicContact NZ-OD2 2.84Å; K247-D330 PolarHBondContact NZ-OD2 3.47Å
248	Q	92	Very high	93.3	Very high	89 Å²	89	71.1 Å²	71.1	42%	0.416	36%	0.363	S	S	.	.			trans	-76.7	100.6	169.6	-67.6	-174.4	48.8	0	0	109.8	F246 I250	F246-Q248 HydrophobicContact CD1-CG 3.9Å; F246-Q248 HydrophobicContact CE1-CG 3.45Å; F246-Q248 VanDerWaalsContact CE1-CG 3.45Å; F246-Q248 HydrophobicContact CZ-CG 3.92Å; F246-Q248 PolarHBondContact O-N 3.48Å; Q248-I250 PolarHBondContact O-N 2.93Å
249	V	91.4	Very high	93.2	Very high	20 Å²	20	72.5 Å²	72.5	12%	0.121	37%	0.373	C	S	.	.	S	Bend	trans	-68.7	-23.2	175.5	-54.2	0	0	0	0	111.8	K247 K327 D330 L331 F334	K247-V249 HydrophobicContact CG-CG1 4.48Å; K247-V249 PolarHBondContact O-N 3.14Å; V249-K327 VanDerWaalsContact O-CE 3.27Å; V249-K327 WeakPolarHBondContact O-CE 3.49Å; V249-K327 PolarHBondContact O-NZ 3.08Å; V249-D330 HydrophobicContact CB-CB 4.14Å; V249-D330 HydrophobicContact CG1-CB 3.79Å; V249-L331 HydrophobicContact CB-CD2 4.5Å; V249-L331 HydrophobicContact CG2-CD2 4.29Å; V249-F334 HydrophobicContact CG2-CB 3.52Å; V249-F334 HydrophobicContact CG2-CD2 4.01Å; V249-F334 HydrophobicContact CG2-CG 3.79Å
250	I	91.3	Very high	93.1	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.015	36%	0.364	C	S	.	.	S	Bend	trans	-139.5	139.5	170.7	178.2	169.8	0	0	0	107	Q248 I252 F310 E313 L314 M317 L331	Q248-I250 PolarHBondContact O-N 2.93Å; I250-I252 PolarHBondContact O-N 3.42Å; I250-F310 HydrophobicContact CB-CE2 4.29Å; I250-F310 HydrophobicContact CD1-CD2 4.29Å; I250-F310 HydrophobicContact CD1-CE2 4.26Å; I250-F310 HydrophobicContact CG1-CD2 4.39Å; I250-F310 HydrophobicContact CG1-CE2 4.13Å; I250-F310 HydrophobicContact CG2-CD2 4.34Å; I250-F310 HydrophobicContact CG2-CE1 4.26Å; I250-F310 HydrophobicContact CG2-CE2 3.33Å; I250-F310 HydrophobicContact CG2-CZ 3.27Å; I250-E313 HydrophobicContact CD1-CB 4.06Å; I250-E313 HydrophobicContact CD1-CG 4.11Å; I250-L314 HydrophobicContact CD1-CB 3.64Å; I250-L314 HydrophobicContact CD1-CD1 4.5Å; I250-L314 VanDerWaalsContact CD1-N 3.34Å; I250-M317 HydrophobicContact CB-CE 4.11Å; I250-M317 HydrophobicContact CD1-CE 3.66Å; I250-M317 HydrophobicContact CG1-CE 3.8Å; I250-L331 HydrophobicContact CB-CD2 4.36Å
251	P	92.1	Very high	93	Very high	77 Å²	77	71.7 Å²	71.7	50%	0.5	37%	0.37	S	S	.	.			trans	-58.5	126.5	-179.8	-24.5	35.4	0	0	0	111.6
252	I	92.7	Very high	93.1	Very high	24 Å²	24	70 Å²	70	12%	0.123	37%	0.366	C	S	.	.			trans	-96.8	114.6	174.5	-64.9	165.3	0	0	0	108	F246 I250 S254 L257 T258 I261 F310	F246-I252 HydrophobicContact CZ-CD1 3.9Å; I250-I252 PolarHBondContact O-N 3.42Å; I252-S254 WeakPolarHBondContact CG2-O 3.39Å; I252-L257 HydrophobicContact CG2-CB 4.16Å; I252-L257 HydrophobicContact CG2-CD2 3.78Å; I252-L257 HydrophobicContact CG2-CG 4Å; I252-T258 WeakPolarHBondContact CG2-OG1 3.38Å; I252-I261 HydrophobicContact CD1-CD1 3.78Å; I252-F310 HydrophobicContact CG1-CE2 3.75Å; I252-F310 HydrophobicContact CG1-CZ 4.5Å
253	S	90.9	Very high	93.2	Very high	102 Å²	102	64.3 Å²	64.3	71%	0.713	34%	0.339	S	S	*	.			trans	-81	-26.9	179.6	-62.4	0	0	0	0	112.8	P255	S253-P255 VanDerWaalsContact O-CD 3.29Å; S253-P255 WeakPolarHBondContact O-CD 3.47Å
254	S	92.8	Very high	93.3	Very high	29 Å²	29	59.3 Å²	59.3	20%	0.203	32%	0.316	C	S	.	.			trans	-79.4	115.9	-178.2	173.9	0	0	0	0	112.1	I252 E256 L257 T258	I252-S254 WeakPolarHBondContact CG2-O 3.39Å; S254-E256 VanDerWaalsContact C-N 3.26Å; S254-E256 PolarHBondContact O-N 3.2Å; S254-E256 PolarHBondContact OG-N 3.38Å; S254-L257 PolarHBondContact OG-N 2.81Å; S254-L257 VanDerWaalsContact OG-N 3.17Å; S254-T258 PolarHBondContact O-N 2.74Å; S254-T258 VanDerWaalsContact O-N 3.13Å; S254-T258 PolarHBondContact O-OG1 3Å
255	P	93.6	Very high	93.6	Very high	100 Å²	100	62.5 Å²	62.5	65%	0.649	32%	0.323	S	S	*	.	H	α-helix	trans	-66.9	-28.9	174	-19.2	33.5	0	0	0	112.7	S253 T259	S253-P255 VanDerWaalsContact O-CD 3.29Å; S253-P255 WeakPolarHBondContact O-CD 3.47Å; P255-T259 WeakPolarHBondContact O-CB 3.26Å; P255-T259 PolarHBondContact O-N 3.44Å; P255-T259 PolarHBondContact O-OG1 3.39Å
256	E	95.1	Very high	93.9	Very high	117 Å²	117	55.5 Å²	55.5	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-50.9	176.6	-178.8	174.5	-165.3	0	0	110.6	S254 T258 T259 K260 L303	S254-E256 VanDerWaalsContact C-N 3.26Å; S254-E256 PolarHBondContact O-N 3.2Å; S254-E256 PolarHBondContact OG-N 3.38Å; E256-T258 VanDerWaalsContact C-N 3.31Å; E256-T258 PolarHBondContact O-N 3.09Å; E256-T259 WeakPolarHBondContact O-CB 3.46Å; E256-T259 PolarHBondContact O-N 3.31Å; E256-K260 WeakPolarHBondContact O-CB 3.14Å; E256-K260 PolarHBondContact O-N 3.14Å; E256-L303 HydrophobicContact CG-CD1 4.13Å; E256-L303 HydrophobicContact CG-CD2 4.22Å
257	L	95.2	Very high	94	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-45.1	174.7	175.6	56.2	0	0	0	111.4	I252 S254 T259 K260 I261 I300 L303 I304	I252-L257 HydrophobicContact CG2-CB 4.16Å; I252-L257 HydrophobicContact CG2-CD2 3.78Å; I252-L257 HydrophobicContact CG2-CG 4Å; S254-L257 PolarHBondContact OG-N 2.81Å; S254-L257 VanDerWaalsContact OG-N 3.17Å; L257-T259 PolarHBondContact O-N 3Å; L257-K260 PolarHBondContact O-N 3.4Å; L257-I261 HydrophobicContact CD1-CD1 3.81Å; L257-I261 HydrophobicContact CD1-CG1 4.06Å; L257-I261 HydrophobicContact CG-CD1 3.89Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.34Å; L257-I300 HydrophobicContact CD1-CB 4.38Å; L257-I300 HydrophobicContact CD1-CG1 4.34Å; L257-I300 HydrophobicContact CD1-CG2 4.01Å; L257-L303 HydrophobicContact CB-CB 4.29Å; L257-L303 HydrophobicContact CB-CD1 4.32Å; L257-L303 HydrophobicContact CD1-CB 4Å; L257-L303 HydrophobicContact CD1-CD1 4.36Å; L257-I304 HydrophobicContact CD1-CG1 4.09Å; L257-I304 HydrophobicContact CD2-CG1 3.68Å
258	T	95.1	Very high	94.3	Very high	30 Å²	30	49 Å²	49	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-47.9	177.5	-57.8	0	0	0	0	111.4	F246 I252 S254 E256 K260 I261 H262	F246-T258 HydrophobicContact CE1-CG2 4.08Å; I252-T258 WeakPolarHBondContact CG2-OG1 3.38Å; S254-T258 PolarHBondContact O-N 2.74Å; S254-T258 VanDerWaalsContact O-N 3.13Å; S254-T258 PolarHBondContact O-OG1 3Å; E256-T258 VanDerWaalsContact C-N 3.31Å; E256-T258 PolarHBondContact O-N 3.09Å; T258-K260 VanDerWaalsContact C-N 3.32Å; T258-K260 PolarHBondContact O-N 3.07Å; T258-I261 PolarHBondContact O-N 3.44Å; T258-H262 PolarHBondContact O-CD2 3.24Å; T258-H262 PolarHBondContact O-N 2.98Å; T258-H262 VanDerWaalsContact O-N 3.07Å
259	T	94.4	Very high	94.5	Very high	78 Å²	78	46.3 Å²	46.3	48%	0.479	25%	0.25	S	C	.	.	H	α-helix	trans	-58.6	-44.9	176.9	-61.4	0	0	0	0	111.1	P255 E256 L257 H262 Q263	P255-T259 WeakPolarHBondContact O-CB 3.26Å; P255-T259 PolarHBondContact O-N 3.44Å; P255-T259 PolarHBondContact O-OG1 3.39Å; E256-T259 WeakPolarHBondContact O-CB 3.46Å; E256-T259 PolarHBondContact O-N 3.31Å; L257-T259 PolarHBondContact O-N 3Å; T259-H262 PolarHBondContact O-N 2.93Å; T259-Q263 WeakPolarHBondContact O-CB 3.38Å; T259-Q263 PolarHBondContact O-N 3.45Å
260	K	95.4	Very high	94.7	Very high	24 Å²	24	45.4 Å²	45.4	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-40.8	-179	-159.9	75.1	-167.5	-167.7	0	112.7	E256 L257 T258 Q263 T264 N296 E299 I300 L303	E256-K260 WeakPolarHBondContact O-CB 3.14Å; E256-K260 PolarHBondContact O-N 3.14Å; L257-K260 PolarHBondContact O-N 3.4Å; T258-K260 VanDerWaalsContact C-N 3.32Å; T258-K260 PolarHBondContact O-N 3.07Å; K260-Q263 PolarHBondContact O-N 2.89Å; K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 2.82Å; K260-T264 PolarHBondContact O-OG1 2.96Å; K260-N296 WeakPolarHBondContact CE-OD1 3.24Å; K260-N296 PolarHBondContact NZ-OD1 3.13Å; K260-E299 WeakPolarHBondContact CD-OE1 3.34Å; K260-E299 VanDerWaalsContact CE-CD 3.46Å; K260-E299 WeakPolarHBondContact CE-OE2 3.24Å; K260-E299 IonicContact NZ-OE1 3.32Å; K260-E299 IonicContact NZ-OE2 3.7Å; K260-E299 PolarHBondContact NZ-OE2 3.3Å; K260-I300 HydrophobicContact CB-CG1 4.25Å; K260-I300 HydrophobicContact CG-CG1 3.95Å; K260-L303 HydrophobicContact CB-CD1 4.33Å
261	I	95.3	Very high	94.8	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.185	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-48.9	173.8	-70.1	165.4	0	0	0	110.3	F246 I252 L257 T258 Q263 T264 Y265 I300	F246-I261 HydrophobicContact CE2-CG2 3.72Å; F246-I261 HydrophobicContact CZ-CD1 4.39Å; F246-I261 HydrophobicContact CZ-CG2 4.16Å; I252-I261 HydrophobicContact CD1-CD1 3.78Å; L257-I261 HydrophobicContact CD1-CD1 3.81Å; L257-I261 HydrophobicContact CD1-CG1 4.06Å; L257-I261 HydrophobicContact CG-CD1 3.89Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.34Å; T258-I261 PolarHBondContact O-N 3.44Å; I261-Q263 PolarHBondContact O-N 3.02Å; I261-T264 PolarHBondContact O-N 3.34Å; I261-Y265 PolarHBondContact O-N 2.96Å; I261-I300 HydrophobicContact CG1-CD1 3.96Å; I261-I300 HydrophobicContact CG1-CG1 4.12Å; I261-I300 HydrophobicContact CG1-CG2 4.37Å
262	H	95.6	Very high	94.9	Very high	51 Å²	51	46.6 Å²	46.6	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-43.2	178.5	-75	-62.4	0	0	0	112.7	F246 T258 T259 T264 Y265 R266	F246-H262 AromaticContact CD1-CE1 3.67Å; F246-H262 AromaticContact CD1-NE2 3.61Å; F246-H262 AromaticContact CG-CE1 3.55Å; F246-H262 AromaticContact CG-NE2 3.98Å; T258-H262 PolarHBondContact O-CD2 3.24Å; T258-H262 PolarHBondContact O-N 2.98Å; T258-H262 VanDerWaalsContact O-N 3.07Å; T259-H262 PolarHBondContact O-N 2.93Å; H262-T264 VanDerWaalsContact C-N 3.33Å; H262-Y265 PolarHBondContact O-N 3.42Å; H262-R266 WeakPolarHBondContact O-CB 3.36Å; H262-R266 WeakPolarHBondContact O-CD 3.22Å; H262-R266 VanDerWaalsContact O-CG 3.23Å; H262-R266 WeakPolarHBondContact O-CG 3.49Å; H262-R266 PolarHBondContact O-N 3.36Å
263	Q	95.6	Very high	95	Very high	29 Å²	29	48.8 Å²	48.8	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-46.5	176.4	-171.3	-176.6	28.9	0	0	110.5	F212 T259 K260 I261 Y265 R266 I267	F212-Q263 PolarHBondContact O-NE2 3.3Å; T259-Q263 WeakPolarHBondContact O-CB 3.38Å; T259-Q263 PolarHBondContact O-N 3.45Å; K260-Q263 PolarHBondContact O-N 2.89Å; I261-Q263 PolarHBondContact O-N 3.02Å; Q263-Y265 PolarHBondContact O-N 3.39Å; Q263-R266 PolarHBondContact O-N 2.9Å; Q263-I267 HydrophobicContact CG-CD1 3.78Å; Q263-I267 HydrophobicContact CG-CG1 4.44Å; Q263-I267 VanDerWaalsContact O-CG1 3.27Å; Q263-I267 WeakPolarHBondContact O-CG1 3.29Å; Q263-I267 PolarHBondContact O-N 3.36Å
264	T	95.9	Very high	95.1	Very high	7 Å²	7	45 Å²	45	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-47.6	178.3	-53.1	0	0	0	0	111.9	K260 I261 H262 R266 I267 Q268 N296 K297 I300	K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 2.82Å; K260-T264 PolarHBondContact O-OG1 2.96Å; I261-T264 PolarHBondContact O-N 3.34Å; H262-T264 VanDerWaalsContact C-N 3.33Å; T264-R266 VanDerWaalsContact C-N 3.33Å; T264-R266 PolarHBondContact O-N 2.83Å; T264-I267 PolarHBondContact O-N 2.86Å; T264-Q268 VanDerWaalsContact O-CB 3.24Å; T264-Q268 WeakPolarHBondContact O-CB 3.31Å; T264-Q268 PolarHBondContact O-N 2.53Å; T264-N296 HydrophobicContact CG2-CB 4.18Å; T264-N296 VanDerWaalsContact OG1-CB 3.22Å; T264-N296 WeakPolarHBondContact OG1-CB 3.22Å; T264-K297 HydrophobicContact CG2-CG 4.13Å; T264-I300 HydrophobicContact CG2-CD1 4.31Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.31Å
265	Y	96.8	Very high	95.1	Very high	98 Å²	98	43.8 Å²	43.8	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-59.1	-43.4	177.7	174.7	-110.4	0	0	0	112.3	L240 A244 I261 H262 Q263 Q268 Y269	L240-Y265 HydrophobicContact CD2-CD1 4.11Å; L240-Y265 HydrophobicContact CD2-CE1 3.51Å; A244-Y265 HydrophobicContact CB-CE1 4.03Å; I261-Y265 PolarHBondContact O-N 2.96Å; H262-Y265 PolarHBondContact O-N 3.42Å; Q263-Y265 PolarHBondContact O-N 3.39Å; Y265-Q268 PolarHBondContact O-N 2.95Å; Y265-Y269 WeakPolarHBondContact O-CB 3.29Å; Y265-Y269 PolarHBondContact O-N 3.08Å
266	R	96.9	Very high	94.9	Very high	50 Å²	50	42.5 Å²	42.5	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-43.9	-179.8	-69.6	165.3	-179.3	159	1.7	112.1	L217 L240 W241 H262 Q263 T264 Q268 Y269 V270	L217-R266 HydrophobicContact CD2-CB 3.69Å; L217-R266 HydrophobicContact CD2-CG 4.47Å; L217-R266 HydrophobicContact CG-CB 4.49Å; L240-R266 HydrophobicContact CD1-CG 4.47Å; L240-R266 HydrophobicContact CD2-CG 4.49Å; W241-R266 VanDerWaalsContact CE2-CZ 3.49Å; W241-R266 HydrophobicContact CH2-CG 4.32Å; W241-R266 VanDerWaalsContact CZ2-CZ 3.45Å; H262-R266 WeakPolarHBondContact O-CB 3.36Å; H262-R266 WeakPolarHBondContact O-CD 3.22Å; H262-R266 VanDerWaalsContact O-CG 3.23Å; H262-R266 WeakPolarHBondContact O-CG 3.49Å; H262-R266 PolarHBondContact O-N 3.36Å; Q263-R266 PolarHBondContact O-N 2.9Å; T264-R266 VanDerWaalsContact C-N 3.33Å; T264-R266 PolarHBondContact O-N 2.83Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; R266-Y269 WeakPolarHBondContact O-CB 3.29Å; R266-Y269 PolarHBondContact O-N 2.96Å; R266-V270 WeakPolarHBondContact O-CG2 3.42Å; R266-V270 PolarHBondContact O-N 2.83Å
267	I	95.8	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.9	-64.4	168.5	0	0	0	110	F212 Q263 T264 Y269 V270 H271 M289 I292 I293	F212-I267 HydrophobicContact CB-CD1 3.78Å; F212-I267 HydrophobicContact CB-CG1 4.02Å; F212-I267 HydrophobicContact CD1-CG1 3.88Å; F212-I267 HydrophobicContact CD2-CD1 4.1Å; F212-I267 HydrophobicContact CD2-CG1 4.16Å; F212-I267 HydrophobicContact CD2-CG2 4.04Å; F212-I267 HydrophobicContact CE1-CG1 4.37Å; F212-I267 HydrophobicContact CE1-CG2 4.3Å; F212-I267 HydrophobicContact CE2-CG2 3.81Å; F212-I267 HydrophobicContact CG-CD1 3.91Å; F212-I267 HydrophobicContact CG-CG1 3.77Å; F212-I267 HydrophobicContact CG-CG2 4.42Å; F212-I267 HydrophobicContact CZ-CG2 3.95Å; Q263-I267 HydrophobicContact CG-CD1 3.78Å; Q263-I267 HydrophobicContact CG-CG1 4.44Å; Q263-I267 VanDerWaalsContact O-CG1 3.27Å; Q263-I267 WeakPolarHBondContact O-CG1 3.29Å; Q263-I267 PolarHBondContact O-N 3.36Å; T264-I267 PolarHBondContact O-N 2.86Å; I267-Y269 VanDerWaalsContact C-N 3.29Å; I267-Y269 PolarHBondContact O-N 3.04Å; I267-V270 WeakPolarHBondContact O-CB 3.35Å; I267-V270 PolarHBondContact O-N 3.23Å; I267-V270 VanDerWaalsContact O-N 3.14Å; I267-H271 PolarHBondContact O-N 3.39Å; I267-M289 HydrophobicContact CG2-CG 3.87Å; I267-M289 HydrophobicContact CG2-SD 4.38Å; I267-I292 HydrophobicContact CD1-CG2 3.92Å; I267-I293 HydrophobicContact CB-CG1 4.5Å; I267-I293 HydrophobicContact CG2-CD1 4.19Å; I267-I293 HydrophobicContact CG2-CG1 3.75Å
268	Q	95.8	Very high	93.7	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-36.5	176.3	-175.3	169.3	-15.5	0	0	111.9	T264 Y265 R266 H271 D272 I293	T264-Q268 VanDerWaalsContact O-CB 3.24Å; T264-Q268 WeakPolarHBondContact O-CB 3.31Å; T264-Q268 PolarHBondContact O-N 2.53Å; Y265-Q268 PolarHBondContact O-N 2.95Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; Q268-H271 PolarHBondContact O-N 3.33Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.15Å; Q268-D272 PolarHBondContact NE2-OD2 2.99Å; Q268-D272 WeakPolarHBondContact O-CB 3.31Å; Q268-D272 PolarHBondContact O-N 2.82Å; Q268-I293 HydrophobicContact CB-CD1 4.22Å
269	Y	97	Very high	92.9	Very high	32 Å²	32	43.8 Å²	43.8	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-42.6	172.4	-175.7	-84.9	0	0	0	112.3	H236 F239 L240 Y265 R266 I267 H271 V273 I274	H236-Y269 HydrophobicContact CB-CE1 4.13Å; H236-Y269 AromaticContact ND1-CE1 3.43Å; H236-Y269 WeakPolarHBondContact ND1-CE1 3.3Å; H236-Y269 AromaticContact ND1-CZ 3.63Å; H236-Y269 PolarHBondContact ND1-OH 2.73Å; F239-Y269 HydrophobicContact CD1-CD2 4.12Å; F239-Y269 AromaticContact CD1-CE2 3.4Å; F239-Y269 HydrophobicContact CD1-CE2 3.4Å; F239-Y269 VanDerWaalsContact CD1-CE2 3.4Å; F239-Y269 AromaticContact CD1-CZ 3.8Å; F239-Y269 AromaticContact CE1-CD2 3.83Å; F239-Y269 HydrophobicContact CE1-CD2 3.83Å; F239-Y269 AromaticContact CE1-CE2 3.33Å; F239-Y269 HydrophobicContact CE1-CE2 3.33Å; F239-Y269 HydrophobicContact CG-CE2 4.5Å; F239-Y269 HydrophobicContact CZ-CE2 4.37Å; L240-Y269 HydrophobicContact CD1-CD1 3.72Å; L240-Y269 HydrophobicContact CD1-CE1 4.18Å; L240-Y269 HydrophobicContact CD1-CG 4.07Å; L240-Y269 HydrophobicContact CD2-CD1 4.18Å; L240-Y269 HydrophobicContact CD2-CD2 3.83Å; L240-Y269 HydrophobicContact CD2-CE2 4.4Å; L240-Y269 HydrophobicContact CD2-CG 3.7Å; L240-Y269 HydrophobicContact CG-CD1 4.17Å; L240-Y269 HydrophobicContact CG-CD2 4.48Å; L240-Y269 HydrophobicContact CG-CE1 4.41Å; L240-Y269 HydrophobicContact CG-CG 4.2Å; Y265-Y269 WeakPolarHBondContact O-CB 3.29Å; Y265-Y269 PolarHBondContact O-N 3.08Å; R266-Y269 WeakPolarHBondContact O-CB 3.29Å; R266-Y269 PolarHBondContact O-N 2.96Å; I267-Y269 VanDerWaalsContact C-N 3.29Å; I267-Y269 PolarHBondContact O-N 3.04Å; Y269-H271 VanDerWaalsContact C-N 3.27Å; Y269-H271 PolarHBondContact O-N 3.46Å; Y269-V273 HydrophobicContact CD1-CB 4.21Å; Y269-V273 HydrophobicContact CD2-CB 4.18Å; Y269-V273 HydrophobicContact CD2-CG2 3.72Å; Y269-V273 HydrophobicContact CE1-CB 4.06Å; Y269-V273 HydrophobicContact CE1-CG1 4.08Å; Y269-V273 HydrophobicContact CE2-CB 4.02Å; Y269-V273 HydrophobicContact CE2-CG1 4.02Å; Y269-V273 HydrophobicContact CE2-CG2 3.74Å; Y269-V273 HydrophobicContact CG-CB 4.28Å; Y269-V273 HydrophobicContact CG-CG2 4.17Å; Y269-V273 WeakPolarHBondContact O-CA 3.37Å; Y269-V273 VanDerWaalsContact O-CB 3.27Å; Y269-V273 WeakPolarHBondContact O-CB 3.47Å; Y269-V273 PolarHBondContact O-N 3.47Å; Y269-I274 HydrophobicContact CD1-CD1 4.27Å; Y269-I274 HydrophobicContact CD1-CG1 4.24Å; Y269-I274 HydrophobicContact CE1-CD1 4.21Å; Y269-I274 HydrophobicContact CE1-CG1 4.07Å; Y269-I274 PolarHBondContact O-N 3.26Å
270	V	95.7	Very high	91.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-58.5	-43.1	173.6	175.8	0	0	0	0	110.2	F200 F212 I221 L224 R266 I267 I274 F275 M289	F200-V270 HydrophobicContact CE1-CG1 4.31Å; F200-V270 HydrophobicContact CZ-CG1 4.33Å; F212-V270 HydrophobicContact CE1-CG1 4.25Å; I221-V270 HydrophobicContact CD1-CG2 3.87Å; I221-V270 HydrophobicContact CG1-CG2 3.79Å; L224-V270 HydrophobicContact CD1-CG1 4.35Å; R266-V270 WeakPolarHBondContact O-CG2 3.42Å; R266-V270 PolarHBondContact O-N 2.83Å; I267-V270 WeakPolarHBondContact O-CB 3.35Å; I267-V270 PolarHBondContact O-N 3.23Å; I267-V270 VanDerWaalsContact O-N 3.14Å; V270-I274 HydrophobicContact CG2-CD1 4.14Å; V270-I274 WeakPolarHBondContact O-CB 3.37Å; V270-I274 PolarHBondContact O-N 3.42Å; V270-F275 HydrophobicContact CG1-CD2 3.71Å; V270-F275 HydrophobicContact CG1-CE2 3.92Å; V270-F275 PolarHBondContact O-N 3.18Å; V270-M289 HydrophobicContact CB-SD 4.29Å; V270-M289 HydrophobicContact CG1-SD 3.97Å
271	H	93.5	Very high	90.9	Very high	28 Å²	28	55.2 Å²	55.2	13%	0.13	29%	0.287	C	S	.	.	I	π-helix	trans	-66.5	-49.5	178.1	-178.5	-84.6	0	0	0	113.9	I267 Q268 Y269 F275 N284 M289 S290 I293	I267-H271 PolarHBondContact O-N 3.39Å; Q268-H271 PolarHBondContact O-N 3.33Å; Y269-H271 VanDerWaalsContact C-N 3.27Å; Y269-H271 PolarHBondContact O-N 3.46Å; H271-F275 CarbonylContact O-C 3.56Å; H271-N284 PolarHBondContact CD2-ND2 3.31Å; H271-N284 VanDerWaalsContact CD2-ND2 3.3Å; H271-N284 PolarHBondContact CE1-ND2 3.19Å; H271-N284 WeakPolarHBondContact NE2-CB 3.49Å; H271-N284 PolarHBondContact NE2-ND2 2.99Å; H271-N284 PolarHBondContact O-ND2 3.45Å; H271-M289 HydrophobicContact CB-CE 3.58Å; H271-M289 HydrophobicContact CB-CG 3.95Å; H271-M289 HydrophobicContact CB-SD 3.58Å; H271-M289 VanDerWaalsContact CB-SD 3.58Å; H271-S290 PolarHBondContact NE2-OG 3.26Å; H271-S290 VanDerWaalsContact NE2-OG 3.13Å; H271-I293 HydrophobicContact CB-CD1 3.77Å
272	D	93.6	Very high	89.7	Confident	78 Å²	78	58.4 Å²	58.4	42%	0.417	30%	0.301	S	S	.	.	I	π-helix	trans	-88.8	-26.3	-169	-66.9	-17.2	0	0	0	112.9	Q268	Q268-D272 WeakPolarHBondContact CG-OD2 3.15Å; Q268-D272 PolarHBondContact NE2-OD2 2.99Å; Q268-D272 WeakPolarHBondContact O-CB 3.31Å; Q268-D272 PolarHBondContact O-N 2.82Å
273	V	94	Very high	88.6	Confident	70 Å²	70	64.1 Å²	64.1	42%	0.424	33%	0.327	S	S	.	.	I	π-helix	trans	-112.5	-41.4	-172	-176.1	0	0	0	0	112.7	Y269	Y269-V273 HydrophobicContact CD1-CB 4.21Å; Y269-V273 HydrophobicContact CD2-CB 4.18Å; Y269-V273 HydrophobicContact CD2-CG2 3.72Å; Y269-V273 HydrophobicContact CE1-CB 4.06Å; Y269-V273 HydrophobicContact CE1-CG1 4.08Å; Y269-V273 HydrophobicContact CE2-CB 4.02Å; Y269-V273 HydrophobicContact CE2-CG1 4.02Å; Y269-V273 HydrophobicContact CE2-CG2 3.74Å; Y269-V273 HydrophobicContact CG-CB 4.28Å; Y269-V273 HydrophobicContact CG-CG2 4.17Å; Y269-V273 WeakPolarHBondContact O-CA 3.37Å; Y269-V273 VanDerWaalsContact O-CB 3.27Å; Y269-V273 WeakPolarHBondContact O-CB 3.47Å; Y269-V273 PolarHBondContact O-N 3.47Å
274	I	94.2	Very high	87.8	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.108	33%	0.327	C	S	.	.	I	π-helix	trans	-87.9	-44.1	-177	-54.9	-178.5	0	0	0	110.9	L224 Y269 V270 P276	L224-I274 HydrophobicContact CB-CD1 4.17Å; L224-I274 HydrophobicContact CB-CG2 4.14Å; L224-I274 HydrophobicContact CD1-CD1 4.07Å; L224-I274 HydrophobicContact CD1-CG2 4.07Å; L224-I274 HydrophobicContact CG-CG2 4.47Å; Y269-I274 HydrophobicContact CD1-CD1 4.27Å; Y269-I274 HydrophobicContact CD1-CG1 4.24Å; Y269-I274 HydrophobicContact CE1-CD1 4.21Å; Y269-I274 HydrophobicContact CE1-CG1 4.07Å; Y269-I274 PolarHBondContact O-N 3.26Å; V270-I274 HydrophobicContact CG2-CD1 4.14Å; V270-I274 WeakPolarHBondContact O-CB 3.37Å; V270-I274 PolarHBondContact O-N 3.42Å; I274-P276 VanDerWaalsContact O-CD 3.29Å; I274-P276 WeakPolarHBondContact O-CD 3.37Å
275	F	92.6	Very high	87	Confident	5 Å²	5	69 Å²	69	2%	0.022	35%	0.352	C	S	.	.	S	Bend	trans	-118.6	55.6	177.7	-60	-65.9	0	0	0	112.5	K197 F200 Y201 L224 V270 H271 N284 L286 M289	K197-F275 HydrophobicContact CD-CE1 4.48Å; K197-F275 HydrophobicContact CG-CE1 4.04Å; F200-F275 HydrophobicContact CB-CE2 4.22Å; F200-F275 HydrophobicContact CB-CZ 4.18Å; F200-F275 HydrophobicContact CD1-CE2 4.11Å; F200-F275 AromaticContact CD2-CE2 3.57Å; F200-F275 HydrophobicContact CD2-CE2 3.57Å; F200-F275 AromaticContact CD2-CZ 3.67Å; F200-F275 HydrophobicContact CD2-CZ 3.67Å; F200-F275 HydrophobicContact CE1-CE2 4.39Å; F200-F275 AromaticContact CE2-CE2 3.91Å; F200-F275 HydrophobicContact CE2-CE2 3.91Å; F200-F275 HydrophobicContact CE2-CZ 4.3Å; F200-F275 HydrophobicContact CG-CD2 4.48Å; F200-F275 AromaticContact CG-CE2 3.7Å; F200-F275 HydrophobicContact CG-CE2 3.7Å; F200-F275 AromaticContact CG-CZ 3.99Å; F200-F275 HydrophobicContact CG-CZ 3.99Å; F200-F275 HydrophobicContact CZ-CE2 4.3Å; Y201-F275 HydrophobicContact CE2-CE1 4.47Å; L224-F275 HydrophobicContact CD1-CE2 3.84Å; L224-F275 HydrophobicContact CD1-CZ 4.22Å; L224-F275 HydrophobicContact CD2-CE2 4.14Å; L224-F275 HydrophobicContact CD2-CZ 3.64Å; V270-F275 HydrophobicContact CG1-CD2 3.71Å; V270-F275 HydrophobicContact CG1-CE2 3.92Å; V270-F275 PolarHBondContact O-N 3.18Å; H271-F275 CarbonylContact O-C 3.56Å; F275-N284 PolarHBondContact O-ND2 2.93Å; F275-L286 HydrophobicContact CB-CD1 3.57Å; F275-L286 HydrophobicContact CD1-CD1 4.42Å; F275-L286 HydrophobicContact CD2-CD1 3.96Å; F275-L286 HydrophobicContact CG-CD1 3.74Å; F275-M289 HydrophobicContact CB-CE 4.41Å
276	P	88.9	Confident	86.5	Confident	72 Å²	72	64.4 Å²	64.4	47%	0.468	33%	0.334	S	S	.	.			trans	-61.6	155.2	179.3	28.7	-35.3	0	0	0	110.8	I274	I274-P276 VanDerWaalsContact O-CD 3.29Å; I274-P276 WeakPolarHBondContact O-CD 3.37Å
277	A	84.2	Confident	86.1	Confident	39 Å²	39	64.9 Å²	64.9	32%	0.322	35%	0.345	S	S	.	.			trans	-54.4	139.2	167.9	0	0	0	0	0	110.2	S279 E282	A277-S279 PolarHBondContact O-N 2.98Å; A277-E282 WeakPolarHBondContact CB-O 3.13Å
278	P	80.8	Confident	85.8	Confident	96 Å²	96	68.3 Å²	68.3	62%	0.623	36%	0.36	S	S	*	.	S	Bend	trans	-62.6	-28.2	-174.8	-19.1	30	0	0	0	113	E282	P278-E282 WeakPolarHBondContact CB-OE2 3.4Å; P278-E282 WeakPolarHBondContact CG-OE2 3.31Å
279	S	79.2	Confident	85.5	Confident	42 Å²	42	65.2 Å²	65.2	29%	0.294	35%	0.346	S	S	.	.	S	Bend	trans	-145.8	163.8	173	88.2	0	0	0	0	111.5	A277 F281 E282	A277-S279 PolarHBondContact O-N 2.98Å; S279-F281 PolarHBondContact O-N 2.88Å; S279-F281 VanDerWaalsContact O-N 3.12Å; S279-F281 PolarHBondContact OG-N 2.81Å; S279-F281 VanDerWaalsContact OG-N 3.1Å; S279-E282 PolarHBondContact O-N 3.1Å; S279-E282 VanDerWaalsContact O-N 3.16Å; S279-E282 PolarHBondContact OG-N 2.85Å
280	I	74.3	Confident	85.3	Confident	156 Å²	156	65.6 Å²	65.6	80%	0.8	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.6	173.2	65.6	177.4	0	0	0	113.6
281	F	72.6	Confident	85.1	Confident	186 Å²	186	69.7 Å²	69.7	82%	0.816	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-2	-179.4	-56.7	-70.4	0	0	0	112.7	S279	S279-F281 PolarHBondContact O-N 2.88Å; S279-F281 VanDerWaalsContact O-N 3.12Å; S279-F281 PolarHBondContact OG-N 2.81Å; S279-F281 VanDerWaalsContact OG-N 3.1Å
282	E	71.8	Confident	85.1	Confident	103 Å²	103	69.6 Å²	69.6	48%	0.481	38%	0.378	S	S	.	.	S	Bend	trans	-115.9	141.5	-178.2	-70.2	177.4	-172.8	0	0	110.3	A277 P278 S279	A277-E282 WeakPolarHBondContact CB-O 3.13Å; P278-E282 WeakPolarHBondContact CB-OE2 3.4Å; P278-E282 WeakPolarHBondContact CG-OE2 3.31Å; S279-E282 PolarHBondContact O-N 3.1Å; S279-E282 VanDerWaalsContact O-N 3.16Å; S279-E282 PolarHBondContact OG-N 2.85Å
283	E	72.6	Confident	85.1	Confident	170 Å²	170	66.5 Å²	66.5	79%	0.794	36%	0.361	S	S	*	.			trans	-73.9	155	170.8	-69.5	-176.8	178.4	0	0	110.6	M285	E283-M285 VanDerWaalsContact O-CE 3.23Å; E283-M285 WeakPolarHBondContact O-CE 3.48Å; E283-M285 PolarHBondContact O-N 3.43Å
284	N	76.9	Confident	85.1	Confident	24 Å²	24	66 Å²	66	13%	0.128	36%	0.359	C	S	.	.			trans	-64.8	126.9	172.2	-162.7	-31.1	0	0	0	109.4	H271 F275 L286	H271-N284 PolarHBondContact CD2-ND2 3.31Å; H271-N284 VanDerWaalsContact CD2-ND2 3.3Å; H271-N284 PolarHBondContact CE1-ND2 3.19Å; H271-N284 WeakPolarHBondContact NE2-CB 3.49Å; H271-N284 PolarHBondContact NE2-ND2 2.99Å; H271-N284 PolarHBondContact O-ND2 3.45Å; F275-N284 PolarHBondContact O-ND2 2.93Å; N284-L286 PolarHBondContact O-N 3.49Å; N284-L286 VanDerWaalsContact O-N 3.12Å; N284-L286 WeakPolarHBondContact OD1-CB 3.45Å; N284-L286 PolarHBondContact OD1-N 3.12Å
285	M	79.5	Confident	85.1	Confident	116 Å²	116	72.2 Å²	72.2	57%	0.571	38%	0.382	S	S	*	.	S	Bend	trans	-63.6	-16.1	177.7	-62.3	-67.6	104.3	0	0	112.7	N203 E283 S287	N203-M285 PolarHBondContact ND2-O 3.37Å; E283-M285 VanDerWaalsContact O-CE 3.23Å; E283-M285 WeakPolarHBondContact O-CE 3.48Å; E283-M285 PolarHBondContact O-N 3.43Å; M285-S287 VanDerWaalsContact C-N 3.35Å; M285-S287 PolarHBondContact O-N 3.11Å
286	L	86.7	Confident	85.2	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	38%	0.382	C	S	.	.			trans	-90.6	60.1	-178.3	-58.1	178.9	0	0	0	112.3	F200 Y201 N203 M208 F275 N284 F288 M289 S290	F200-L286 WeakPolarHBondContact O-CD2 3.46Å; Y201-L286 HydrophobicContact CD1-CD2 4.07Å; Y201-L286 HydrophobicContact CE1-CD2 4.41Å; N203-L286 HydrophobicContact CB-CD2 4.5Å; M208-L286 HydrophobicContact CE-CD2 4.29Å; F275-L286 HydrophobicContact CB-CD1 3.57Å; F275-L286 HydrophobicContact CD1-CD1 4.42Å; F275-L286 HydrophobicContact CD2-CD1 3.96Å; F275-L286 HydrophobicContact CG-CD1 3.74Å; N284-L286 PolarHBondContact O-N 3.49Å; N284-L286 VanDerWaalsContact O-N 3.12Å; N284-L286 WeakPolarHBondContact OD1-CB 3.45Å; N284-L286 PolarHBondContact OD1-N 3.12Å; L286-F288 VanDerWaalsContact C-N 3.28Å; L286-F288 PolarHBondContact O-N 3.13Å; L286-M289 HydrophobicContact CB-CB 4.24Å; L286-M289 HydrophobicContact CB-CE 3.74Å; L286-M289 HydrophobicContact CD1-CE 3.38Å; L286-M289 HydrophobicContact CG-CE 4.2Å; L286-M289 WeakPolarHBondContact O-CB 3.4Å; L286-M289 PolarHBondContact O-N 3.27Å; L286-S290 PolarHBondContact O-N 3Å
287	S	88	Confident	85.5	Confident	60 Å²	60	70.5 Å²	70.5	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-32.6	-174.8	60.6	0	0	0	0	114.9	N203 M285 M289 S290 T291	N203-S287 PolarHBondContact ND2-OG 3.34Å; N203-S287 PolarHBondContact OD1-N 3.36Å; M285-S287 VanDerWaalsContact C-N 3.35Å; M285-S287 PolarHBondContact O-N 3.11Å; S287-M289 VanDerWaalsContact C-N 3.33Å; S287-M289 PolarHBondContact O-N 2.54Å; S287-S290 WeakPolarHBondContact O-CB 3.43Å; S287-S290 PolarHBondContact O-N 3.41Å; S287-T291 PolarHBondContact O-N 3.15Å; S287-T291 PolarHBondContact O-OG1 3.06Å
288	F	89.7	Confident	86	Confident	71 Å²	71	69.9 Å²	69.9	31%	0.311	36%	0.362	S	S	.	.	H	α-helix	trans	-70.2	-30	176.9	-75.4	-73.1	0	0	0	112.4	N203 M208 L286 T291 I292	N203-F288 WeakPolarHBondContact O-CD2 3.29Å; N203-F288 WeakPolarHBondContact O-CE2 3.41Å; N203-F288 WeakPolarHBondContact OD1-CD2 3.29Å; N203-F288 PolarHBondContact OD1-N 3.17Å; M208-F288 HydrophobicContact CG-CB 4.06Å; L286-F288 VanDerWaalsContact C-N 3.28Å; L286-F288 PolarHBondContact O-N 3.13Å; F288-T291 WeakPolarHBondContact O-CB 3.29Å; F288-T291 PolarHBondContact O-N 2.93Å; F288-I292 WeakPolarHBondContact O-CG1 3.37Å; F288-I292 PolarHBondContact O-N 3.35Å
289	M	90.5	Very high	86.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-43.2	173.6	-178.5	164.5	47.4	0	0	110.6	F212 I267 V270 H271 F275 L286 S287 T291 I292 I293	F212-M289 HydrophobicContact CE1-SD 4.41Å; F212-M289 HydrophobicContact CE2-CB 4.22Å; F212-M289 HydrophobicContact CE2-CG 3.86Å; F212-M289 HydrophobicContact CE2-SD 4.15Å; F212-M289 HydrophobicContact CZ-CB 4.44Å; F212-M289 HydrophobicContact CZ-CG 3.84Å; F212-M289 HydrophobicContact CZ-SD 3.48Å; F212-M289 WeakPolarHBondContact CZ-SD 3.34Å; I267-M289 HydrophobicContact CG2-CG 3.87Å; I267-M289 HydrophobicContact CG2-SD 4.38Å; V270-M289 HydrophobicContact CB-SD 4.29Å; V270-M289 HydrophobicContact CG1-SD 3.97Å; H271-M289 HydrophobicContact CB-CE 3.58Å; H271-M289 HydrophobicContact CB-CG 3.95Å; H271-M289 HydrophobicContact CB-SD 3.58Å; H271-M289 VanDerWaalsContact CB-SD 3.58Å; F275-M289 HydrophobicContact CB-CE 4.41Å; L286-M289 HydrophobicContact CB-CB 4.24Å; L286-M289 HydrophobicContact CB-CE 3.74Å; L286-M289 HydrophobicContact CD1-CE 3.38Å; L286-M289 HydrophobicContact CG-CE 4.2Å; L286-M289 WeakPolarHBondContact O-CB 3.4Å; L286-M289 PolarHBondContact O-N 3.27Å; S287-M289 VanDerWaalsContact C-N 3.33Å; S287-M289 PolarHBondContact O-N 2.54Å; M289-T291 VanDerWaalsContact C-N 3.28Å; M289-T291 PolarHBondContact O-N 2.98Å; M289-I292 PolarHBondContact O-N 3.02Å; M289-I293 HydrophobicContact CG-CD1 4.21Å; M289-I293 WeakPolarHBondContact O-CG1 3.38Å; M289-I293 PolarHBondContact O-N 2.82Å
290	S	91.1	Very high	87.5	Confident	40 Å²	40	66 Å²	66	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-42.1	172.2	-51.6	0	0	0	0	111.8	H271 L286 S287 I293 V294	H271-S290 PolarHBondContact NE2-OG 3.26Å; H271-S290 VanDerWaalsContact NE2-OG 3.13Å; L286-S290 PolarHBondContact O-N 3Å; S287-S290 WeakPolarHBondContact O-CB 3.43Å; S287-S290 PolarHBondContact O-N 3.41Å; S290-I293 PolarHBondContact O-N 3.41Å; S290-V294 WeakPolarHBondContact O-CG2 3.48Å; S290-V294 PolarHBondContact O-N 3.2Å
291	T	92.2	Very high	88.5	Confident	85 Å²	85	58.7 Å²	58.7	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-44.6	177.7	-56.4	0	0	0	0	111.8	S287 F288 M289 I293 V294 Y295	S287-T291 PolarHBondContact O-N 3.15Å; S287-T291 PolarHBondContact O-OG1 3.06Å; F288-T291 WeakPolarHBondContact O-CB 3.29Å; F288-T291 PolarHBondContact O-N 2.93Å; M289-T291 VanDerWaalsContact C-N 3.28Å; M289-T291 PolarHBondContact O-N 2.98Å; T291-I293 VanDerWaalsContact C-N 3.35Å; T291-I293 PolarHBondContact O-N 3.45Å; T291-V294 PolarHBondContact O-N 3.01Å; T291-Y295 WeakPolarHBondContact O-CB 3.45Å; T291-Y295 PolarHBondContact O-N 3.18Å
292	I	93.1	Very high	89.5	Confident	27 Å²	27	54.1 Å²	54.1	14%	0.138	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176.1	-69.9	169.5	0	0	0	111.4	M208 F212 I267 F288 M289 V294 Y295 N296	M208-I292 HydrophobicContact CB-CD1 3.45Å; M208-I292 VanDerWaalsContact CB-CD1 3.45Å; M208-I292 HydrophobicContact CG-CD1 4.48Å; F212-I292 HydrophobicContact CD2-CD1 3.9Å; F212-I292 HydrophobicContact CD2-CG2 4.48Å; F212-I292 HydrophobicContact CE2-CD1 4.29Å; I267-I292 HydrophobicContact CD1-CG2 3.92Å; F288-I292 WeakPolarHBondContact O-CG1 3.37Å; F288-I292 PolarHBondContact O-N 3.35Å; M289-I292 PolarHBondContact O-N 3.02Å; I292-V294 VanDerWaalsContact C-N 3.35Å; I292-V294 PolarHBondContact O-N 3.2Å; I292-Y295 PolarHBondContact O-N 3.42Å; I292-N296 WeakPolarHBondContact O-CB 3.28Å; I292-N296 PolarHBondContact O-N 2.65Å; I292-N296 PolarHBondContact O-OD1 3Å
293	I	94.3	Very high	90.6	Very high	12 Å²	12	50 Å²	50	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-44.3	176.2	-67.8	164.3	0	0	0	110.5	I267 Q268 H271 M289 S290 T291 N296 K297	I267-I293 HydrophobicContact CB-CG1 4.5Å; I267-I293 HydrophobicContact CG2-CD1 4.19Å; I267-I293 HydrophobicContact CG2-CG1 3.75Å; Q268-I293 HydrophobicContact CB-CD1 4.22Å; H271-I293 HydrophobicContact CB-CD1 3.77Å; M289-I293 HydrophobicContact CG-CD1 4.21Å; M289-I293 WeakPolarHBondContact O-CG1 3.38Å; M289-I293 PolarHBondContact O-N 2.82Å; S290-I293 PolarHBondContact O-N 3.41Å; T291-I293 VanDerWaalsContact C-N 3.35Å; T291-I293 PolarHBondContact O-N 3.45Å; I293-N296 PolarHBondContact O-N 2.88Å; I293-K297 HydrophobicContact CG2-CD 4.15Å; I293-K297 WeakPolarHBondContact O-CB 3.29Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.49Å; I293-K297 PolarHBondContact O-N 3.32Å
294	V	93.8	Very high	91.7	Very high	60 Å²	60	42.1 Å²	42.1	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-47.1	176.8	169.3	0	0	0	0	111.2	S290 T291 I292 N296 K297 A298 L344	S290-V294 WeakPolarHBondContact O-CG2 3.48Å; S290-V294 PolarHBondContact O-N 3.2Å; T291-V294 PolarHBondContact O-N 3.01Å; I292-V294 VanDerWaalsContact C-N 3.35Å; I292-V294 PolarHBondContact O-N 3.2Å; V294-N296 PolarHBondContact O-N 3.1Å; V294-K297 PolarHBondContact O-N 3.21Å; V294-A298 PolarHBondContact O-N 3.36Å; V294-L344 HydrophobicContact CG1-CB 4.33Å; V294-L344 HydrophobicContact CG2-CD2 4.43Å
295	Y	93.9	Very high	92.3	Very high	152 Å²	152	42.2 Å²	42.2	60%	0.596	22%	0.219	S	C	*	.	H	α-helix	trans	-59	-47.5	176.9	179.7	-92.8	0	0	0	111.7	T291 I292 K297 A298 E299	T291-Y295 WeakPolarHBondContact O-CB 3.45Å; T291-Y295 PolarHBondContact O-N 3.18Å; I292-Y295 PolarHBondContact O-N 3.42Å; Y295-K297 VanDerWaalsContact C-N 3.32Å; Y295-K297 PolarHBondContact O-N 3.39Å; Y295-A298 WeakPolarHBondContact O-CB 3.43Å; Y295-A298 PolarHBondContact O-N 3.1Å; Y295-A298 VanDerWaalsContact O-N 3.15Å; Y295-E299 VanDerWaalsContact CE1-OE2 3.28Å; Y295-E299 WeakPolarHBondContact CE1-OE2 3.38Å; Y295-E299 PolarHBondContact O-N 3.21Å
296	N	95	Very high	92.8	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-38	178.8	-70	-8.4	0	0	0	112.3	K260 T264 I292 I293 V294 E299 I300	K260-N296 WeakPolarHBondContact CE-OD1 3.24Å; K260-N296 PolarHBondContact NZ-OD1 3.13Å; T264-N296 HydrophobicContact CG2-CB 4.18Å; T264-N296 VanDerWaalsContact OG1-CB 3.22Å; T264-N296 WeakPolarHBondContact OG1-CB 3.22Å; I292-N296 WeakPolarHBondContact O-CB 3.28Å; I292-N296 PolarHBondContact O-N 2.65Å; I292-N296 PolarHBondContact O-OD1 3Å; I293-N296 PolarHBondContact O-N 2.88Å; V294-N296 PolarHBondContact O-N 3.1Å; N296-E299 PolarHBondContact O-N 3.46Å; N296-I300 VanDerWaalsContact O-CG1 3.27Å; N296-I300 WeakPolarHBondContact O-CG1 3.31Å; N296-I300 PolarHBondContact O-N 2.89Å
297	K	95.5	Very high	93.1	Very high	36 Å²	36	44.3 Å²	44.3	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-41	173.9	-75.3	176.2	178.2	177	0	111.7	T264 I293 V294 Y295 E299 I300 V301 F341 L344	T264-K297 HydrophobicContact CG2-CG 4.13Å; I293-K297 HydrophobicContact CG2-CD 4.15Å; I293-K297 WeakPolarHBondContact O-CB 3.29Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.49Å; I293-K297 PolarHBondContact O-N 3.32Å; V294-K297 PolarHBondContact O-N 3.21Å; Y295-K297 VanDerWaalsContact C-N 3.32Å; Y295-K297 PolarHBondContact O-N 3.39Å; K297-E299 VanDerWaalsContact C-N 3.35Å; K297-I300 PolarHBondContact O-N 3.43Å; K297-V301 WeakPolarHBondContact O-CG2 3.33Å; K297-V301 PolarHBondContact O-N 3.03Å; K297-F341 HydrophobicContact CB-CD2 4.04Å; K297-F341 HydrophobicContact CB-CE2 4.03Å; K297-F341 HydrophobicContact CB-CG 4.34Å; K297-F341 HydrophobicContact CB-CZ 4.33Å; K297-F341 HydrophobicContact CD-CD1 4.19Å; K297-F341 HydrophobicContact CD-CE1 3.71Å; K297-F341 HydrophobicContact CD-CE2 4.37Å; K297-F341 HydrophobicContact CD-CZ 3.82Å; K297-F341 HydrophobicContact CG-CD2 4.37Å; K297-F341 HydrophobicContact CG-CE1 4.14Å; K297-F341 HydrophobicContact CG-CE2 3.88Å; K297-F341 HydrophobicContact CG-CZ 3.77Å; K297-L344 HydrophobicContact CB-CD1 3.98Å; K297-L344 HydrophobicContact CD-CD1 3.57Å; K297-L344 HydrophobicContact CG-CD1 4.41Å
298	A	95.1	Very high	93.1	Very high	26 Å²	26	45.9 Å²	45.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-41.4	174.9	0	0	0	0	0	112.1	V294 Y295 V301 H302 L345	V294-A298 PolarHBondContact O-N 3.36Å; Y295-A298 WeakPolarHBondContact O-CB 3.43Å; Y295-A298 PolarHBondContact O-N 3.1Å; Y295-A298 VanDerWaalsContact O-N 3.15Å; A298-V301 WeakPolarHBondContact O-CB 3.27Å; A298-V301 PolarHBondContact O-N 2.72Å; A298-H302 PolarHBondContact O-N 2.87Å; A298-L345 HydrophobicContact CB-CD2 3.6Å
299	E	95	Very high	93.2	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.3	-167.7	179.8	152.6	0	0	112.1	K260 Y295 N296 K297 V301 H302 L303	K260-E299 WeakPolarHBondContact CD-OE1 3.34Å; K260-E299 VanDerWaalsContact CE-CD 3.46Å; K260-E299 WeakPolarHBondContact CE-OE2 3.24Å; K260-E299 IonicContact NZ-OE1 3.32Å; K260-E299 IonicContact NZ-OE2 3.7Å; K260-E299 PolarHBondContact NZ-OE2 3.3Å; Y295-E299 VanDerWaalsContact CE1-OE2 3.28Å; Y295-E299 WeakPolarHBondContact CE1-OE2 3.38Å; Y295-E299 PolarHBondContact O-N 3.21Å; N296-E299 PolarHBondContact O-N 3.46Å; K297-E299 VanDerWaalsContact C-N 3.35Å; E299-V301 VanDerWaalsContact C-N 3.31Å; E299-V301 PolarHBondContact O-N 3.33Å; E299-H302 WeakPolarHBondContact O-CB 3.28Å; E299-H302 PolarHBondContact O-N 2.88Å; E299-H302 VanDerWaalsContact O-N 3.15Å; E299-L303 HydrophobicContact CG-CD1 4.28Å; E299-L303 WeakPolarHBondContact O-CB 3.48Å; E299-L303 WeakPolarHBondContact O-CG 3.4Å; E299-L303 PolarHBondContact O-N 3.37Å
300	I	95.8	Very high	93.4	Very high	13 Å²	13	50 Å²	50	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-44.3	172.7	-74.3	164.5	0	0	0	111.1	L257 K260 I261 T264 N296 K297 H302 I304 F341	L257-I300 HydrophobicContact CD1-CB 4.38Å; L257-I300 HydrophobicContact CD1-CG1 4.34Å; L257-I300 HydrophobicContact CD1-CG2 4.01Å; K260-I300 HydrophobicContact CB-CG1 4.25Å; K260-I300 HydrophobicContact CG-CG1 3.95Å; I261-I300 HydrophobicContact CG1-CD1 3.96Å; I261-I300 HydrophobicContact CG1-CG1 4.12Å; I261-I300 HydrophobicContact CG1-CG2 4.37Å; T264-I300 HydrophobicContact CG2-CD1 4.31Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.31Å; N296-I300 VanDerWaalsContact O-CG1 3.27Å; N296-I300 WeakPolarHBondContact O-CG1 3.31Å; N296-I300 PolarHBondContact O-N 2.89Å; K297-I300 PolarHBondContact O-N 3.43Å; I300-H302 VanDerWaalsContact C-N 3.35Å; I300-I304 HydrophobicContact CG2-CD1 3.88Å; I300-I304 VanDerWaalsContact O-CG1 3.3Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.13Å; I300-F341 HydrophobicContact CG2-CE2 4.47Å
301	V	95.5	Very high	93.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-49.3	174.9	175.6	0	0	0	0	110.2	K297 A298 E299 L303 I304 Q305 L338 F341 L345 L353	K297-V301 WeakPolarHBondContact O-CG2 3.33Å; K297-V301 PolarHBondContact O-N 3.03Å; A298-V301 WeakPolarHBondContact O-CB 3.27Å; A298-V301 PolarHBondContact O-N 2.72Å; E299-V301 VanDerWaalsContact C-N 3.31Å; E299-V301 PolarHBondContact O-N 3.33Å; V301-L303 PolarHBondContact O-N 2.83Å; V301-I304 PolarHBondContact O-N 3.33Å; V301-Q305 HydrophobicContact CG1-CG 4.28Å; V301-Q305 WeakPolarHBondContact O-CG 3.46Å; V301-Q305 PolarHBondContact O-N 2.98Å; V301-L338 HydrophobicContact CG2-CD1 4.16Å; V301-F341 HydrophobicContact CG2-CB 3.62Å; V301-F341 HydrophobicContact CG2-CD2 3.82Å; V301-F341 HydrophobicContact CG2-CG 4.25Å; V301-L345 HydrophobicContact CG1-CD1 4.09Å; V301-L353 HydrophobicContact CG1-CD1 3.89Å; V301-L353 HydrophobicContact CG1-CD2 3.93Å; V301-L353 HydrophobicContact CG1-CG 4.32Å
302	H	93.7	Very high	93.6	Very high	91 Å²	91	52.3 Å²	52.3	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-58	-48.8	-178.9	-178.1	47.9	0	0	0	111.9	A298 E299 I300 I304 Q305 E306	A298-H302 PolarHBondContact O-N 2.87Å; E299-H302 WeakPolarHBondContact O-CB 3.28Å; E299-H302 PolarHBondContact O-N 2.88Å; E299-H302 VanDerWaalsContact O-N 3.15Å; I300-H302 VanDerWaalsContact C-N 3.35Å; H302-I304 VanDerWaalsContact C-N 3.29Å; H302-I304 PolarHBondContact O-N 2.9Å; H302-Q305 WeakPolarHBondContact O-CB 2.93Å; H302-Q305 PolarHBondContact O-N 2.88Å; H302-E306 IonicContact CE1-OE1 3.61Å; H302-E306 PolarHBondContact CE1-OE1 2.89Å; H302-E306 IonicContact NE2-OE1 3.47Å; H302-E306 PolarHBondContact NE2-OE1 2.92Å; H302-E306 WeakPolarHBondContact O-CG 3.31Å; H302-E306 PolarHBondContact O-N 2.84Å
303	L	95.3	Very high	93.7	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-34.2	177.6	-71	171.6	0	0	0	112.9	E256 L257 K260 E299 V301	E256-L303 HydrophobicContact CG-CD1 4.13Å; E256-L303 HydrophobicContact CG-CD2 4.22Å; L257-L303 HydrophobicContact CB-CB 4.29Å; L257-L303 HydrophobicContact CB-CD1 4.32Å; L257-L303 HydrophobicContact CD1-CB 4Å; L257-L303 HydrophobicContact CD1-CD1 4.36Å; K260-L303 HydrophobicContact CB-CD1 4.33Å; E299-L303 HydrophobicContact CG-CD1 4.28Å; E299-L303 WeakPolarHBondContact O-CB 3.48Å; E299-L303 WeakPolarHBondContact O-CG 3.4Å; E299-L303 PolarHBondContact O-N 3.37Å; V301-L303 PolarHBondContact O-N 2.83Å
304	I	94.3	Very high	93.8	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-38.9	173.6	-71.7	166.6	0	0	0	111.1	L257 I300 V301 H302 E306 D307 F310 L311 F334 L338	L257-I304 HydrophobicContact CD1-CG1 4.09Å; L257-I304 HydrophobicContact CD2-CG1 3.68Å; I300-I304 HydrophobicContact CG2-CD1 3.88Å; I300-I304 VanDerWaalsContact O-CG1 3.3Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.13Å; V301-I304 PolarHBondContact O-N 3.33Å; H302-I304 VanDerWaalsContact C-N 3.29Å; H302-I304 PolarHBondContact O-N 2.9Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 3.04Å; I304-D307 PolarHBondContact O-N 2.82Å; I304-F310 HydrophobicContact CG1-CE1 4.49Å; I304-F310 HydrophobicContact CG2-CD1 3.98Å; I304-F310 HydrophobicContact CG2-CE1 3.95Å; I304-L311 HydrophobicContact CG2-CD2 3.88Å; I304-L311 HydrophobicContact CG2-CG 4.4Å; I304-F334 HydrophobicContact CD1-CZ 4.05Å; I304-L338 HydrophobicContact CD1-CD1 3.86Å; I304-L338 HydrophobicContact CG2-CD1 4.43Å; I304-L338 HydrophobicContact CG2-CD2 4.08Å
305	Q	91.4	Very high	93.9	Very high	26 Å²	26	52.3 Å²	52.3	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-31.8	179	-70.3	-175	-80.4	0	0	112.9	V301 H302 D307 F352 L353 T356	V301-Q305 HydrophobicContact CG1-CG 4.28Å; V301-Q305 WeakPolarHBondContact O-CG 3.46Å; V301-Q305 PolarHBondContact O-N 2.98Å; H302-Q305 WeakPolarHBondContact O-CB 2.93Å; H302-Q305 PolarHBondContact O-N 2.88Å; Q305-D307 PolarHBondContact O-N 2.84Å; Q305-F352 HydrophobicContact CB-CE1 4.45Å; Q305-L353 HydrophobicContact CG-CD1 4.16Å; Q305-T356 PolarHBondContact NE2-OG1 2.92Å
306	E	89.9	Confident	94	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.8	175.8	-67.6	-164.8	147.8	0	0	113.7	H302 I304 P308	H302-E306 IonicContact CE1-OE1 3.61Å; H302-E306 PolarHBondContact CE1-OE1 2.89Å; H302-E306 IonicContact NE2-OE1 3.47Å; H302-E306 PolarHBondContact NE2-OE1 2.92Å; H302-E306 WeakPolarHBondContact O-CG 3.31Å; H302-E306 PolarHBondContact O-N 2.84Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 3.04Å; E306-P308 VanDerWaalsContact C-CD 3.49Å; E306-P308 WeakPolarHBondContact O-CD 3.32Å
307	D	91.5	Very high	94.1	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	26%	0.255	C	S	.	.			trans	-103.1	85.5	174.8	-167.7	-19.4	0	0	0	111.7	I304 Q305 M309 F310 L311	I304-D307 PolarHBondContact O-N 2.82Å; Q305-D307 PolarHBondContact O-N 2.84Å; D307-M309 PolarHBondContact O-N 2.59Å; D307-M309 PolarHBondContact OD1-N 3.03Å; D307-M309 VanDerWaalsContact OD1-N 3.12Å; D307-F310 HydrophobicContact CB-CB 3.82Å; D307-F310 PolarHBondContact O-N 3.08Å; D307-F310 PolarHBondContact OD1-N 2.82Å; D307-F310 WeakPolarHBondContact OD2-CB 3.4Å; D307-L311 PolarHBondContact O-N 3.32Å
308	P	88.1	Confident	94.2	Very high	94 Å²	94	47.9 Å²	47.9	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-66.8	-22	179.3	27.8	-36.3	0	0	0	113	E306 K312	E306-P308 VanDerWaalsContact C-CD 3.49Å; E306-P308 WeakPolarHBondContact O-CD 3.32Å; P308-K312 WeakPolarHBondContact O-CB 3.28Å; P308-K312 PolarHBondContact O-N 3.11Å
309	M	92.3	Very high	94.2	Very high	151 Å²	151	49.2 Å²	49.2	74%	0.744	25%	0.253	S	S	*	.	H	α-helix	trans	-73.6	-43.9	177.6	-67.2	-168.1	73.9	0	0	110.4	D307 K312 E313	D307-M309 PolarHBondContact O-N 2.59Å; D307-M309 PolarHBondContact OD1-N 3.03Å; D307-M309 VanDerWaalsContact OD1-N 3.12Å; M309-K312 PolarHBondContact O-N 3.5Å; M309-E313 PolarHBondContact O-N 3.24Å
310	F	94.3	Very high	94.2	Very high	6 Å²	6	49 Å²	49	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-56	-51.8	174	-179.2	-89	0	0	0	111.7	I250 I252 I304 D307 K312 E313 L314 F334	I250-F310 HydrophobicContact CB-CE2 4.29Å; I250-F310 HydrophobicContact CD1-CD2 4.29Å; I250-F310 HydrophobicContact CD1-CE2 4.26Å; I250-F310 HydrophobicContact CG1-CD2 4.39Å; I250-F310 HydrophobicContact CG1-CE2 4.13Å; I250-F310 HydrophobicContact CG2-CD2 4.34Å; I250-F310 HydrophobicContact CG2-CE1 4.26Å; I250-F310 HydrophobicContact CG2-CE2 3.33Å; I250-F310 HydrophobicContact CG2-CZ 3.27Å; I252-F310 HydrophobicContact CG1-CE2 3.75Å; I252-F310 HydrophobicContact CG1-CZ 4.5Å; I304-F310 HydrophobicContact CG1-CE1 4.49Å; I304-F310 HydrophobicContact CG2-CD1 3.98Å; I304-F310 HydrophobicContact CG2-CE1 3.95Å; D307-F310 HydrophobicContact CB-CB 3.82Å; D307-F310 PolarHBondContact O-N 3.08Å; D307-F310 PolarHBondContact OD1-N 2.82Å; D307-F310 WeakPolarHBondContact OD2-CB 3.4Å; F310-K312 VanDerWaalsContact C-N 3.34Å; F310-K312 PolarHBondContact O-N 2.94Å; F310-E313 PolarHBondContact O-N 2.98Å; F310-L314 HydrophobicContact CE1-CD2 4.29Å; F310-L314 WeakPolarHBondContact O-CB 3.38Å; F310-L314 PolarHBondContact O-N 3.41Å; F310-F334 AromaticContact CE1-CE1 3.82Å; F310-F334 HydrophobicContact CE1-CE1 3.82Å; F310-F334 AromaticContact CE1-CZ 3.76Å; F310-F334 HydrophobicContact CE1-CZ 3.76Å; F310-F334 AromaticContact CZ-CE1 3.89Å; F310-F334 HydrophobicContact CZ-CE1 3.89Å; F310-F334 HydrophobicContact CZ-CE2 4.37Å; F310-F334 AromaticContact CZ-CZ 3.55Å; F310-F334 HydrophobicContact CZ-CZ 3.55Å
311	L	92.8	Very high	94	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-41.6	178.5	-71.9	177.9	0	0	0	112	I304 D307 E313 L314 F315 T356	I304-L311 HydrophobicContact CG2-CD2 3.88Å; I304-L311 HydrophobicContact CG2-CG 4.4Å; D307-L311 PolarHBondContact O-N 3.32Å; L311-E313 PolarHBondContact O-N 3.45Å; L311-L314 PolarHBondContact O-N 3.24Å; L311-F315 HydrophobicContact CD2-CE2 4.38Å; L311-F315 VanDerWaalsContact O-CD2 3.25Å; L311-F315 WeakPolarHBondContact O-CD2 3.3Å; L311-F315 PolarHBondContact O-N 3.4Å; L311-T356 HydrophobicContact CD1-CG2 3.66Å
312	K	94.1	Very high	93.8	Very high	163 Å²	163	60.5 Å²	60.5	71%	0.709	32%	0.324	S	S	*	.	H	α-helix	trans	-61.8	-43.6	178.1	-177.7	179.6	177.5	-176.3	0	112.2	P308 M309 F310 A316	P308-K312 WeakPolarHBondContact O-CB 3.28Å; P308-K312 PolarHBondContact O-N 3.11Å; M309-K312 PolarHBondContact O-N 3.5Å; F310-K312 VanDerWaalsContact C-N 3.34Å; F310-K312 PolarHBondContact O-N 2.94Å; K312-A316 VanDerWaalsContact O-CB 3.25Å; K312-A316 WeakPolarHBondContact O-CB 3.41Å; K312-A316 PolarHBondContact O-N 3.03Å
313	E	95.4	Very high	93.9	Very high	92 Å²	92	56.9 Å²	56.9	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-68.5	-43.5	178.4	-174.3	-179.3	171.8	0	0	111.5	I250 M309 F310 L311 F315 A316 M317	I250-E313 HydrophobicContact CD1-CB 4.06Å; I250-E313 HydrophobicContact CD1-CG 4.11Å; M309-E313 PolarHBondContact O-N 3.24Å; F310-E313 PolarHBondContact O-N 2.98Å; L311-E313 PolarHBondContact O-N 3.45Å; E313-F315 PolarHBondContact O-N 2.82Å; E313-A316 PolarHBondContact O-N 3.31Å; E313-M317 HydrophobicContact CG-CE 4.04Å; E313-M317 PolarHBondContact O-N 2.87Å
314	L	96.7	Very high	94	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-54.8	-52.8	175.4	176.4	59.1	0	0	0	111.4	I250 F310 L311 M317 L318 L331 F334	I250-L314 HydrophobicContact CD1-CB 3.64Å; I250-L314 HydrophobicContact CD1-CD1 4.5Å; I250-L314 VanDerWaalsContact CD1-N 3.34Å; F310-L314 HydrophobicContact CE1-CD2 4.29Å; F310-L314 WeakPolarHBondContact O-CB 3.38Å; F310-L314 PolarHBondContact O-N 3.41Å; L311-L314 PolarHBondContact O-N 3.24Å; L314-M317 PolarHBondContact O-N 3.04Å; L314-L318 HydrophobicContact CD1-CD1 3.73Å; L314-L318 HydrophobicContact CD1-CG 4.15Å; L314-L318 HydrophobicContact CG-CD1 3.75Å; L314-L318 WeakPolarHBondContact O-CB 3.32Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.48Å; L314-L318 PolarHBondContact O-N 2.78Å; L314-L331 HydrophobicContact CD1-CB 4.47Å; L314-L331 HydrophobicContact CD1-CD2 3.85Å; L314-F334 HydrophobicContact CD1-CD1 4.19Å; L314-F334 HydrophobicContact CD2-CD1 3.94Å; L314-F334 HydrophobicContact CD2-CE1 3.71Å
315	F	96.4	Very high	94.1	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-70.7	-32.2	-178.4	-82.1	-107	0	0	0	112.5	L311 E313 L318 T319 L335 L357 S360 I362 V365	L311-F315 HydrophobicContact CD2-CE2 4.38Å; L311-F315 VanDerWaalsContact O-CD2 3.25Å; L311-F315 WeakPolarHBondContact O-CD2 3.3Å; L311-F315 PolarHBondContact O-N 3.4Å; E313-F315 PolarHBondContact O-N 2.82Å; F315-L318 PolarHBondContact O-N 2.66Å; F315-T319 WeakPolarHBondContact O-CB 3.34Å; F315-T319 WeakPolarHBondContact O-CG2 3.4Å; F315-T319 PolarHBondContact O-N 2.74Å; F315-T319 PolarHBondContact O-OG1 3.34Å; F315-L335 HydrophobicContact CZ-CD1 4.37Å; F315-L357 HydrophobicContact CE2-CD2 4.22Å; F315-L357 HydrophobicContact CZ-CD2 3.8Å; F315-S360 VanDerWaalsContact CD1-C 3.5Å; F315-S360 WeakPolarHBondContact CD1-O 3.48Å; F315-I362 HydrophobicContact CE1-CB 4.16Å; F315-I362 HydrophobicContact CE1-CD1 4.16Å; F315-I362 HydrophobicContact CZ-CD1 4.25Å; F315-V365 HydrophobicContact CD1-CG2 3.65Å; F315-V365 HydrophobicContact CE1-CG2 3.96Å; F315-V365 HydrophobicContact CG-CG2 4.47Å
316	A	96.3	Very high	94.3	Very high	56 Å²	56	69.4 Å²	69.4	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-44.6	172.8	0	0	0	0	0	111.5	K312 E313 T319 S320	K312-A316 VanDerWaalsContact O-CB 3.25Å; K312-A316 WeakPolarHBondContact O-CB 3.41Å; K312-A316 PolarHBondContact O-N 3.03Å; E313-A316 PolarHBondContact O-N 3.31Å; A316-T319 PolarHBondContact O-OG1 2.93Å; A316-S320 WeakPolarHBondContact O-CB 3.29Å; A316-S320 PolarHBondContact O-N 3.4Å; A316-S320 VanDerWaalsContact O-N 3.08Å
317	M	97	Very high	94.6	Very high	43 Å²	43	66.7 Å²	66.7	21%	0.212	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-41.2	176.4	-68.2	-172.8	-70.2	0	0	112.5	I250 E313 L314 T319 S320 T323 L331	I250-M317 HydrophobicContact CB-CE 4.11Å; I250-M317 HydrophobicContact CD1-CE 3.66Å; I250-M317 HydrophobicContact CG1-CE 3.8Å; E313-M317 HydrophobicContact CG-CE 4.04Å; E313-M317 PolarHBondContact O-N 2.87Å; L314-M317 PolarHBondContact O-N 3.04Å; M317-T319 PolarHBondContact O-N 3.29Å; M317-S320 PolarHBondContact O-N 2.97Å; M317-T323 WeakPolarHBondContact O-CB 3.49Å; M317-T323 PolarHBondContact O-OG1 2.73Å; M317-L331 HydrophobicContact CB-CD1 3.54Å; M317-L331 HydrophobicContact CE-CD1 4.33Å; M317-L331 HydrophobicContact CE-CD2 3.82Å; M317-L331 HydrophobicContact SD-CD1 4.27Å
318	L	97.6	Very high	94.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-25.6	178.3	-77.7	168.5	0	0	0	113.7	L314 F315 L328 L331 A332 L335 V365 N368	L314-L318 HydrophobicContact CD1-CD1 3.73Å; L314-L318 HydrophobicContact CD1-CG 4.15Å; L314-L318 HydrophobicContact CG-CD1 3.75Å; L314-L318 WeakPolarHBondContact O-CB 3.32Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.48Å; L314-L318 PolarHBondContact O-N 2.78Å; F315-L318 PolarHBondContact O-N 2.66Å; L318-L328 HydrophobicContact CD2-CD1 3.93Å; L318-L331 HydrophobicContact CD2-CB 3.53Å; L318-L331 HydrophobicContact CG-CB 4.06Å; L318-A332 HydrophobicContact CD2-CB 4.37Å; L318-L335 HydrophobicContact CD1-CB 4.3Å; L318-L335 HydrophobicContact CD1-CD2 3.67Å; L318-V365 HydrophobicContact CB-CB 4.39Å; L318-V365 HydrophobicContact CB-CG1 3.92Å; L318-V365 HydrophobicContact CB-CG2 3.69Å; L318-V365 HydrophobicContact CD1-CG1 4.14Å; L318-V365 HydrophobicContact CD1-CG2 4.2Å; L318-V365 HydrophobicContact CD2-CG1 4.17Å; L318-V365 HydrophobicContact CG-CG1 4.33Å; L318-N368 PolarHBondContact O-ND2 2.69Å
319	T	95.5	Very high	95.3	Very high	54 Å²	54	62.5 Å²	62.5	33%	0.331	34%	0.338	S	S	.	.	H	α-helix	trans	-98.8	-14.6	179.4	55.9	0	0	0	0	113.7	F315 A316 M317 A321 K364 V365	F315-T319 WeakPolarHBondContact O-CB 3.34Å; F315-T319 WeakPolarHBondContact O-CG2 3.4Å; F315-T319 PolarHBondContact O-N 2.74Å; F315-T319 PolarHBondContact O-OG1 3.34Å; A316-T319 PolarHBondContact O-OG1 2.93Å; M317-T319 PolarHBondContact O-N 3.29Å; T319-A321 PolarHBondContact O-N 3.23Å; T319-K364 HydrophobicContact CG2-CB 3.7Å; T319-V365 HydrophobicContact CG2-CG2 3.71Å
320	S	94.9	Very high	95.5	Very high	39 Å²	39	57.2 Å²	57.2	27%	0.273	31%	0.313	S	S	.	.			trans	-69.1	131.3	-179.6	179.3	0	0	0	0	112	A316 M317 E322 T323 R372	A316-S320 WeakPolarHBondContact O-CB 3.29Å; A316-S320 PolarHBondContact O-N 3.4Å; A316-S320 VanDerWaalsContact O-N 3.08Å; M317-S320 PolarHBondContact O-N 2.97Å; S320-E322 PolarHBondContact O-N 2.95Å; S320-E322 PolarHBondContact OG-N 3.14Å; S320-E322 VanDerWaalsContact OG-N 3.14Å; S320-T323 PolarHBondContact O-N 3.48Å; S320-R372 PolarHBondContact O-NH2 3.14Å
321	A	90	Very high	95.7	Very high	80 Å²	80	56.9 Å²	56.9	66%	0.661	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.7	171.6	0	0	0	0	0	112	T319 R372	T319-A321 PolarHBondContact O-N 3.23Å; A321-R372 PolarHBondContact O-NH1 3.31Å; A321-R372 PolarHBondContact O-NH2 3.08Å
322	E	93.1	Very high	95.9	Very high	177 Å²	177	56.4 Å²	56.4	83%	0.827	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.6	-175.2	-57.9	-179	169.9	0	0	113.5	S320 P324	S320-E322 PolarHBondContact O-N 2.95Å; S320-E322 PolarHBondContact OG-N 3.14Å; S320-E322 VanDerWaalsContact OG-N 3.14Å; E322-P324 WeakPolarHBondContact O-CD 3.34Å
323	T	95.9	Very high	96.1	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.086	29%	0.286	C	S	.	.	S	Bend	trans	-64.1	121.8	179	-57.9	0	0	0	0	110.3	M317 S320 K327 L328 L331	M317-T323 WeakPolarHBondContact O-CB 3.49Å; M317-T323 PolarHBondContact O-OG1 2.73Å; S320-T323 PolarHBondContact O-N 3.48Å; T323-K327 HydrophobicContact CG2-CB 4.08Å; T323-K327 HydrophobicContact CG2-CG 3.99Å; T323-L328 HydrophobicContact CG2-CB 4Å; T323-L331 HydrophobicContact CG2-CD1 4.13Å
324	P	95.9	Very high	96.2	Very high	88 Å²	88	47.4 Å²	47.4	57%	0.571	28%	0.275	S	S	*	.			trans	-59.9	147.8	177.8	-24.1	34.2	0	0	0	112.2	E322 E326 K327 L328	E322-P324 WeakPolarHBondContact O-CD 3.34Å; P324-E326 PolarHBondContact O-N 2.83Å; P324-K327 HydrophobicContact CB-CB 4.4Å; P324-K327 WeakPolarHBondContact O-CB 3.47Å; P324-K327 PolarHBondContact O-N 3.4Å; P324-K327 VanDerWaalsContact O-N 3.07Å; P324-L328 PolarHBondContact O-N 3.13Å
325	T	96.4	Very high	96.2	Very high	67 Å²	67	47.4 Å²	47.4	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-51.9	-50.4	-177.5	-54	0	0	0	0	112.7	K327 L328 V329 D374 I377	T325-K327 VanDerWaalsContact C-N 3.31Å; T325-K327 PolarHBondContact O-N 2.91Å; T325-L328 PolarHBondContact O-N 3.21Å; T325-L328 VanDerWaalsContact O-N 3.1Å; T325-V329 WeakPolarHBondContact O-CG2 3.33Å; T325-V329 PolarHBondContact O-N 3.25Å; T325-D374 HydrophobicContact CG2-CB 4.12Å; T325-I377 HydrophobicContact CG2-CD1 3.67Å
326	E	95.7	Very high	96.2	Very high	154 Å²	154	50.7 Å²	50.7	72%	0.72	29%	0.289	S	S	*	.	H	α-helix	trans	-58.6	-42.4	179.5	-174.1	-178.6	-179.5	0	0	112.2	P324 V329 D330	P324-E326 PolarHBondContact O-N 2.83Å; E326-V329 PolarHBondContact O-N 3.2Å; E326-D330 PolarHBondContact O-N 2.75Å; E326-D330 VanDerWaalsContact O-N 3.15Å
327	K	96.4	Very high	96.2	Very high	71 Å²	71	53.3 Å²	53.3	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-38.6	176.8	-175.2	63.6	178.3	-169.5	0	111.7	V249 T323 P324 T325 D330 L331	V249-K327 VanDerWaalsContact O-CE 3.27Å; V249-K327 WeakPolarHBondContact O-CE 3.49Å; V249-K327 PolarHBondContact O-NZ 3.08Å; T323-K327 HydrophobicContact CG2-CB 4.08Å; T323-K327 HydrophobicContact CG2-CG 3.99Å; P324-K327 HydrophobicContact CB-CB 4.4Å; P324-K327 WeakPolarHBondContact O-CB 3.47Å; P324-K327 PolarHBondContact O-N 3.4Å; P324-K327 VanDerWaalsContact O-N 3.07Å; T325-K327 VanDerWaalsContact C-N 3.31Å; T325-K327 PolarHBondContact O-N 2.91Å; K327-D330 PolarHBondContact O-N 3.4Å; K327-L331 HydrophobicContact CG-CD1 3.99Å; K327-L331 HydrophobicContact CG-CG 4.44Å; K327-L331 VanDerWaalsContact O-CG 3.24Å; K327-L331 WeakPolarHBondContact O-CG 3.4Å; K327-L331 PolarHBondContact O-N 2.96Å
328	L	97.4	Very high	96.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-36.9	178	-174.7	54	0	0	0	111.5	L318 T323 P324 T325 L331 A332 R372 I377	L318-L328 HydrophobicContact CD2-CD1 3.93Å; T323-L328 HydrophobicContact CG2-CB 4Å; P324-L328 PolarHBondContact O-N 3.13Å; T325-L328 PolarHBondContact O-N 3.21Å; T325-L328 VanDerWaalsContact O-N 3.1Å; L328-L331 PolarHBondContact O-N 2.92Å; L328-A332 WeakPolarHBondContact O-CB 3.3Å; L328-A332 PolarHBondContact O-N 2.91Å; L328-R372 HydrophobicContact CD2-CG 3.91Å; L328-I377 HydrophobicContact CB-CD1 4.11Å; L328-I377 HydrophobicContact CD2-CD1 3.9Å; L328-I377 HydrophobicContact CD2-CG2 4.46Å; L328-I377 HydrophobicContact CG-CD1 4Å
329	V	97.6	Very high	95.9	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-48.7	171.5	171.7	0	0	0	0	110.6	T325 E326 L331 A332 G333 S376 I377 L380	T325-V329 WeakPolarHBondContact O-CG2 3.33Å; T325-V329 PolarHBondContact O-N 3.25Å; E326-V329 PolarHBondContact O-N 3.2Å; V329-L331 PolarHBondContact O-N 3.38Å; V329-A332 PolarHBondContact O-N 2.97Å; V329-G333 PolarHBondContact O-N 3.4Å; V329-S376 VanDerWaalsContact CG2-OG 3.28Å; V329-S376 WeakPolarHBondContact CG2-OG 3.41Å; V329-I377 HydrophobicContact CG2-CD1 4.11Å; V329-I377 HydrophobicContact CG2-CG1 3.46Å; V329-I377 VanDerWaalsContact CG2-CG1 3.46Å; V329-L380 HydrophobicContact CG1-CD1 4.15Å; V329-L380 WeakPolarHBondContact O-CD1 3.5Å
330	D	97.1	Very high	95.8	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.214	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-46.3	178	-77.3	-30.1	0	0	0	112.7	K247 V249 E326 K327 G333 F334	K247-D330 WeakPolarHBondContact CE-OD2 3.48Å; K247-D330 IonicContact NZ-OD1 3.23Å; K247-D330 PolarHBondContact NZ-OD1 3.1Å; K247-D330 IonicContact NZ-OD2 2.84Å; K247-D330 PolarHBondContact NZ-OD2 3.47Å; V249-D330 HydrophobicContact CB-CB 4.14Å; V249-D330 HydrophobicContact CG1-CB 3.79Å; E326-D330 PolarHBondContact O-N 2.75Å; E326-D330 VanDerWaalsContact O-N 3.15Å; K327-D330 PolarHBondContact O-N 3.4Å; D330-G333 PolarHBondContact O-N 3.37Å; D330-F334 PolarHBondContact O-N 2.96Å
331	L	97.8	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.1	-41.9	-179.3	-67.9	168.5	0	0	0	111.9	V249 I250 L314 M317 L318 T323 K327 L328 V329 G333 F334 L335	V249-L331 HydrophobicContact CB-CD2 4.5Å; V249-L331 HydrophobicContact CG2-CD2 4.29Å; I250-L331 HydrophobicContact CB-CD2 4.36Å; L314-L331 HydrophobicContact CD1-CB 4.47Å; L314-L331 HydrophobicContact CD1-CD2 3.85Å; M317-L331 HydrophobicContact CB-CD1 3.54Å; M317-L331 HydrophobicContact CE-CD1 4.33Å; M317-L331 HydrophobicContact CE-CD2 3.82Å; M317-L331 HydrophobicContact SD-CD1 4.27Å; L318-L331 HydrophobicContact CD2-CB 3.53Å; L318-L331 HydrophobicContact CG-CB 4.06Å; T323-L331 HydrophobicContact CG2-CD1 4.13Å; K327-L331 HydrophobicContact CG-CD1 3.99Å; K327-L331 HydrophobicContact CG-CG 4.44Å; K327-L331 VanDerWaalsContact O-CG 3.24Å; K327-L331 WeakPolarHBondContact O-CG 3.4Å; K327-L331 PolarHBondContact O-N 2.96Å; L328-L331 PolarHBondContact O-N 2.92Å; V329-L331 PolarHBondContact O-N 3.38Å; L331-G333 VanDerWaalsContact C-N 3.32Å; L331-F334 PolarHBondContact O-N 2.93Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 PolarHBondContact O-N 3.48Å
332	A	97.7	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-35.6	176.3	0	0	0	0	0	111.1	L318 L328 V329 L335 K336 L380	L318-A332 HydrophobicContact CD2-CB 4.37Å; L328-A332 WeakPolarHBondContact O-CB 3.3Å; L328-A332 PolarHBondContact O-N 2.91Å; V329-A332 PolarHBondContact O-N 2.97Å; A332-L335 PolarHBondContact O-N 3.31Å; A332-K336 VanDerWaalsContact O-CB 3.29Å; A332-K336 WeakPolarHBondContact O-CB 3.24Å; A332-K336 PolarHBondContact O-N 3.38Å; A332-L380 HydrophobicContact CB-CB 4.12Å; A332-L380 HydrophobicContact CB-CD1 3.91Å
333	G	97.7	Very high	95.5	Very high	23 Å²	23	42.7 Å²	42.7	24%	0.237	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-47.1	172.8	0	0	0	0	0	112.2	V329 D330 L331 K336 E337	V329-G333 PolarHBondContact O-N 3.4Å; D330-G333 PolarHBondContact O-N 3.37Å; L331-G333 VanDerWaalsContact C-N 3.32Å; G333-K336 WeakPolarHBondContact O-CB 3.28Å; G333-K336 PolarHBondContact O-N 3Å; G333-E337 PolarHBondContact O-N 3.41Å
334	F	96.9	Very high	95.2	Very high	43 Å²	43	45.2 Å²	45.2	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-46.8	173.8	172.6	-88.5	0	0	0	112.3	V249 I304 F310 L314 D330 L331 K336 E337 L338	V249-F334 HydrophobicContact CG2-CB 3.52Å; V249-F334 HydrophobicContact CG2-CD2 4.01Å; V249-F334 HydrophobicContact CG2-CG 3.79Å; I304-F334 HydrophobicContact CD1-CZ 4.05Å; F310-F334 AromaticContact CE1-CE1 3.82Å; F310-F334 HydrophobicContact CE1-CE1 3.82Å; F310-F334 AromaticContact CE1-CZ 3.76Å; F310-F334 HydrophobicContact CE1-CZ 3.76Å; F310-F334 AromaticContact CZ-CE1 3.89Å; F310-F334 HydrophobicContact CZ-CE1 3.89Å; F310-F334 HydrophobicContact CZ-CE2 4.37Å; F310-F334 AromaticContact CZ-CZ 3.55Å; F310-F334 HydrophobicContact CZ-CZ 3.55Å; L314-F334 HydrophobicContact CD1-CD1 4.19Å; L314-F334 HydrophobicContact CD2-CD1 3.94Å; L314-F334 HydrophobicContact CD2-CE1 3.71Å; D330-F334 PolarHBondContact O-N 2.96Å; L331-F334 PolarHBondContact O-N 2.93Å; F334-K336 VanDerWaalsContact C-N 3.33Å; F334-K336 PolarHBondContact O-N 3.4Å; F334-E337 PolarHBondContact O-N 3.34Å; F334-L338 HydrophobicContact CE1-CD2 4.25Å; F334-L338 WeakPolarHBondContact O-CB 3.42Å; F334-L338 PolarHBondContact O-N 3.46Å
335	L	97	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-42.2	177.5	177.8	61.4	0	0	0	111.3	F315 L318 L331 A332 E337 L338 V339 L357 I362 V365 I384	F315-L335 HydrophobicContact CZ-CD1 4.37Å; L318-L335 HydrophobicContact CD1-CB 4.3Å; L318-L335 HydrophobicContact CD1-CD2 3.67Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 PolarHBondContact O-N 3.48Å; A332-L335 PolarHBondContact O-N 3.31Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 PolarHBondContact O-N 3.46Å; L335-L338 PolarHBondContact O-N 2.97Å; L335-V339 HydrophobicContact CD1-CG2 3.84Å; L335-V339 HydrophobicContact CG-CG2 4.22Å; L335-V339 WeakPolarHBondContact O-CB 3.48Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.37Å; L335-V339 PolarHBondContact O-N 3.32Å; L335-L357 HydrophobicContact CD1-CD2 4.04Å; L335-I362 HydrophobicContact CD1-CD1 4.26Å; L335-I362 HydrophobicContact CD2-CD1 3.56Å; L335-I362 HydrophobicContact CG-CD1 4.3Å; L335-V365 HydrophobicContact CD2-CG1 3.85Å; L335-I384 HydrophobicContact CB-CD1 4.31Å; L335-I384 HydrophobicContact CD2-CD1 3.98Å; L335-I384 HydrophobicContact CG-CD1 4.04Å
336	K	96.6	Very high	94.7	Very high	77 Å²	77	42.8 Å²	42.8	34%	0.335	22%	0.216	S	C	.	.	H	α-helix	trans	-56.9	-44.6	175.3	179.3	-91.1	178.6	-175.7	0	111.6	A332 G333 F334 S340 L380 D383 I384	A332-K336 VanDerWaalsContact O-CB 3.29Å; A332-K336 WeakPolarHBondContact O-CB 3.24Å; A332-K336 PolarHBondContact O-N 3.38Å; G333-K336 WeakPolarHBondContact O-CB 3.28Å; G333-K336 PolarHBondContact O-N 3Å; F334-K336 VanDerWaalsContact C-N 3.33Å; F334-K336 PolarHBondContact O-N 3.4Å; K336-S340 WeakPolarHBondContact O-CB 3.45Å; K336-S340 PolarHBondContact O-N 3.46Å; K336-L380 HydrophobicContact CB-CD2 4.24Å; K336-L380 HydrophobicContact CG-CD2 4.33Å; K336-D383 WeakPolarHBondContact CE-OD2 3.22Å; K336-D383 HydrophobicContact CG-CB 3.74Å; K336-I384 HydrophobicContact CB-CD1 4.21Å; K336-I384 HydrophobicContact CB-CG1 3.8Å; K336-I384 HydrophobicContact CG-CG1 4.38Å
337	E	95.1	Very high	94.3	Very high	110 Å²	110	38.4 Å²	38.4	51%	0.514	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-46	177.1	-170.4	170.4	-175.5	0	0	111.6	G333 F334 L335 V339 S340 F341	G333-E337 PolarHBondContact O-N 3.41Å; F334-E337 PolarHBondContact O-N 3.34Å; L335-E337 VanDerWaalsContact C-N 3.31Å; L335-E337 PolarHBondContact O-N 3.46Å; E337-V339 PolarHBondContact O-N 2.79Å; E337-S340 WeakPolarHBondContact O-CB 3.35Å; E337-S340 PolarHBondContact O-N 3.06Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.13Å; E337-F341 HydrophobicContact CG-CE1 4.11Å; E337-F341 HydrophobicContact CG-CZ 4.11Å; E337-F341 PolarHBondContact O-N 2.84Å
338	L	94.9	Very high	94	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.9	178.5	62	0	0	0	112.3	V301 I304 F334 L335 S340 F341	V301-L338 HydrophobicContact CG2-CD1 4.16Å; I304-L338 HydrophobicContact CD1-CD1 3.86Å; I304-L338 HydrophobicContact CG2-CD1 4.43Å; I304-L338 HydrophobicContact CG2-CD2 4.08Å; F334-L338 HydrophobicContact CE1-CD2 4.25Å; F334-L338 WeakPolarHBondContact O-CB 3.42Å; F334-L338 PolarHBondContact O-N 3.46Å; L335-L338 PolarHBondContact O-N 2.97Å; L338-S340 VanDerWaalsContact C-N 3.3Å; L338-S340 PolarHBondContact O-N 3.37Å; L338-F341 PolarHBondContact O-N 2.96Å
339	V	93.5	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-36.2	177.9	177.2	0	0	0	0	110.7	L335 E337 F341 S342 L357 I384 C387 V388	L335-V339 HydrophobicContact CD1-CG2 3.84Å; L335-V339 HydrophobicContact CG-CG2 4.22Å; L335-V339 WeakPolarHBondContact O-CB 3.48Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.37Å; L335-V339 PolarHBondContact O-N 3.32Å; E337-V339 PolarHBondContact O-N 2.79Å; V339-F341 PolarHBondContact O-N 2.96Å; V339-S342 WeakPolarHBondContact O-CB 3.38Å; V339-S342 PolarHBondContact O-N 2.67Å; V339-S342 PolarHBondContact O-OG 2.96Å; V339-L357 HydrophobicContact CG2-CD1 3.69Å; V339-I384 HydrophobicContact CG2-CG2 4.42Å; V339-C387 HydrophobicContact CG1-CB 3.73Å; V339-C387 PolarHBondContact O-SG 3.18Å; V339-C387 VanDerWaalsContact O-SG 3.41Å; V339-V388 HydrophobicContact CG1-CG2 3.8Å
340	S	93.2	Very high	93.3	Very high	36 Å²	36	46.1 Å²	46.1	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-26.5	178.1	77.6	0	0	0	0	113.7	K336 E337 L338 S342 Q343	K336-S340 WeakPolarHBondContact O-CB 3.45Å; K336-S340 PolarHBondContact O-N 3.46Å; E337-S340 WeakPolarHBondContact O-CB 3.35Å; E337-S340 PolarHBondContact O-N 3.06Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.13Å; L338-S340 VanDerWaalsContact C-N 3.3Å; L338-S340 PolarHBondContact O-N 3.37Å; S340-S342 PolarHBondContact O-N 2.96Å; S340-Q343 PolarHBondContact O-N 3.2Å
341	F	93.1	Very high	92.8	Very high	22 Å²	22	46.8 Å²	46.8	10%	0.096	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-68.1	-13.6	174.7	-67.5	-4.6	0	0	0	113	K297 I300 V301 E337 L338 V339 Q343 L344 L345	K297-F341 HydrophobicContact CB-CD2 4.04Å; K297-F341 HydrophobicContact CB-CE2 4.03Å; K297-F341 HydrophobicContact CB-CG 4.34Å; K297-F341 HydrophobicContact CB-CZ 4.33Å; K297-F341 HydrophobicContact CD-CD1 4.19Å; K297-F341 HydrophobicContact CD-CE1 3.71Å; K297-F341 HydrophobicContact CD-CE2 4.37Å; K297-F341 HydrophobicContact CD-CZ 3.82Å; K297-F341 HydrophobicContact CG-CD2 4.37Å; K297-F341 HydrophobicContact CG-CE1 4.14Å; K297-F341 HydrophobicContact CG-CE2 3.88Å; K297-F341 HydrophobicContact CG-CZ 3.77Å; I300-F341 HydrophobicContact CG2-CE2 4.47Å; V301-F341 HydrophobicContact CG2-CB 3.62Å; V301-F341 HydrophobicContact CG2-CD2 3.82Å; V301-F341 HydrophobicContact CG2-CG 4.25Å; E337-F341 HydrophobicContact CG-CE1 4.11Å; E337-F341 HydrophobicContact CG-CZ 4.11Å; E337-F341 PolarHBondContact O-N 2.84Å; L338-F341 PolarHBondContact O-N 2.96Å; V339-F341 PolarHBondContact O-N 2.96Å; F341-Q343 PolarHBondContact O-N 3.45Å; F341-L344 HydrophobicContact CD1-CD1 4Å; F341-L344 HydrophobicContact CG-CD1 4.4Å; F341-L344 WeakPolarHBondContact O-CB 3.49Å; F341-L344 PolarHBondContact O-N 2.94Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å
342	S	90.1	Very high	92.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.7	-31.2	172.7	67.3	0	0	0	0	113.2	V339 S340 L344 L345 R350 C387	V339-S342 WeakPolarHBondContact O-CB 3.38Å; V339-S342 PolarHBondContact O-N 2.67Å; V339-S342 PolarHBondContact O-OG 2.96Å; S340-S342 PolarHBondContact O-N 2.96Å; S342-L344 PolarHBondContact O-N 3.39Å; S342-L345 PolarHBondContact O-N 3.45Å; S342-R350 WeakPolarHBondContact O-CD 3.45Å; S342-C387 PolarHBondContact OG-SG 3.37Å; S342-C387 VanDerWaalsContact OG-SG 3.37Å
343	Q	89.9	Confident	92.1	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.5	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-70.3	-19.3	177.6	-62.3	-178.4	-22.2	0	0	112.8	S340 F341 E390	S340-Q343 PolarHBondContact O-N 3.2Å; F341-Q343 PolarHBondContact O-N 3.45Å; Q343-E390 PolarHBondContact NE2-OE2 2.69Å
344	L	89.6	Confident	91.7	Very high	66 Å²	66	51.2 Å²	51.2	35%	0.346	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-91.8	-12.1	179.9	-54.5	179.4	0	0	0	112.7	V294 K297 F341 S342	V294-L344 HydrophobicContact CG1-CB 4.33Å; V294-L344 HydrophobicContact CG2-CD2 4.43Å; K297-L344 HydrophobicContact CB-CD1 3.98Å; K297-L344 HydrophobicContact CD-CD1 3.57Å; K297-L344 HydrophobicContact CG-CD1 4.41Å; F341-L344 HydrophobicContact CD1-CD1 4Å; F341-L344 HydrophobicContact CG-CD1 4.4Å; F341-L344 WeakPolarHBondContact O-CB 3.49Å; F341-L344 PolarHBondContact O-N 2.94Å; S342-L344 PolarHBondContact O-N 3.39Å
345	L	90.9	Very high	91.2	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.073	27%	0.267	C	S	.	.	S	Bend	trans	-89	150.5	-175.8	-59.5	175.9	0	0	0	111.5	A298 V301 F341 S342 N349 R350 L353	A298-L345 HydrophobicContact CB-CD2 3.6Å; V301-L345 HydrophobicContact CG1-CD1 4.09Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å; S342-L345 PolarHBondContact O-N 3.45Å; L345-N349 HydrophobicContact CB-CB 4.19Å; L345-N349 HydrophobicContact CD1-CB 4.39Å; L345-N349 HydrophobicContact CD2-CB 4.46Å; L345-R350 HydrophobicContact CB-CB 4.04Å; L345-L353 HydrophobicContact CD1-CB 4.31Å; L345-L353 HydrophobicContact CD1-CD2 3.95Å
346	N	90.1	Very high	90.8	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	27%	0.274	S	S	.	.			trans	-63.3	163.7	164.4	69.7	37	0	0	0	111	Q348 N349 R350	N346-Q348 VanDerWaalsContact C-N 3.3Å; N346-Q348 PolarHBondContact O-N 3.46Å; N346-Q348 PolarHBondContact OD1-N 3.33Å; N346-N349 PolarHBondContact ND2-ND2 3.39Å; N346-N349 PolarHBondContact O-N 3.04Å; N346-N349 WeakPolarHBondContact OD1-CB 3.45Å; N346-N349 PolarHBondContact OD1-N 2.98Å; N346-R350 VanDerWaalsContact O-CB 3.27Å; N346-R350 WeakPolarHBondContact O-CB 3.37Å; N346-R350 PolarHBondContact O-N 3.36Å
347	S	88.4	Confident	90.6	Very high	62 Å²	62	51.6 Å²	51.6	43%	0.434	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-41.3	-172.7	-157.8	0	0	0	0	113.5	R350 D351	S347-R350 PolarHBondContact OG-NH2 3.06Å; S347-D351 WeakPolarHBondContact O-CB 3.41Å; S347-D351 PolarHBondContact O-N 2.84Å
348	Q	89.5	Confident	90.1	Very high	154 Å²	154	47.3 Å²	47.3	72%	0.72	24%	0.243	S	C	*	.	H	α-helix	trans	-65.1	-49.7	-178	-176.4	179.4	1.4	0	0	112	N346 R350 D351 F352	N346-Q348 VanDerWaalsContact C-N 3.3Å; N346-Q348 PolarHBondContact O-N 3.46Å; N346-Q348 PolarHBondContact OD1-N 3.33Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 2.99Å; Q348-D351 PolarHBondContact O-N 3.08Å; Q348-F352 WeakPolarHBondContact O-CB 3.27Å; Q348-F352 PolarHBondContact O-N 2.73Å
349	N	90	Very high	89.7	Confident	71 Å²	71	52.9 Å²	52.9	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-67.9	-36.1	-179.4	-69.8	-13.4	0	0	0	111.4	L345 N346 F352 L353	L345-N349 HydrophobicContact CB-CB 4.19Å; L345-N349 HydrophobicContact CD1-CB 4.39Å; L345-N349 HydrophobicContact CD2-CB 4.46Å; N346-N349 PolarHBondContact ND2-ND2 3.39Å; N346-N349 PolarHBondContact O-N 3.04Å; N346-N349 WeakPolarHBondContact OD1-CB 3.45Å; N346-N349 PolarHBondContact OD1-N 2.98Å; N349-F352 PolarHBondContact O-N 3.28Å; N349-L353 PolarHBondContact O-N 3.07Å
350	R	90.4	Very high	89.5	Confident	47 Å²	47	54.9 Å²	54.9	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-50.6	173.4	-179.9	175.1	61.6	-148.9	-3.7	111.9	S342 L345 N346 S347 Q348 F352 L353 L354 Y391	S342-R350 WeakPolarHBondContact O-CD 3.45Å; L345-R350 HydrophobicContact CB-CB 4.04Å; N346-R350 VanDerWaalsContact O-CB 3.27Å; N346-R350 WeakPolarHBondContact O-CB 3.37Å; N346-R350 PolarHBondContact O-N 3.36Å; S347-R350 PolarHBondContact OG-NH2 3.06Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 2.99Å; R350-F352 VanDerWaalsContact C-N 3.25Å; R350-F352 PolarHBondContact O-N 2.8Å; R350-L353 PolarHBondContact O-N 3.18Å; R350-L354 HydrophobicContact CG-CD1 3.97Å; R350-L354 HydrophobicContact CG-CG 4.45Å; R350-L354 WeakPolarHBondContact O-CG 3.3Å; R350-L354 PolarHBondContact O-N 3.04Å; R350-Y391 HydrophobicContact CG-CD2 4.48Å
351	D	87.4	Confident	89.3	Confident	54 Å²	54	54 Å²	54	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-39.1	-179.1	-66.2	-14.7	0	0	0	110.7	S347 Q348 L354 Q355 S393	S347-D351 WeakPolarHBondContact O-CB 3.41Å; S347-D351 PolarHBondContact O-N 2.84Å; Q348-D351 PolarHBondContact O-N 3.08Å; D351-L354 PolarHBondContact O-N 2.91Å; D351-Q355 VanDerWaalsContact O-CB 3.3Å; D351-Q355 WeakPolarHBondContact O-CB 3.24Å; D351-Q355 PolarHBondContact O-N 2.97Å; D351-S393 VanDerWaalsContact CG-CB 3.49Å; D351-S393 WeakPolarHBondContact OD1-CB 3.13Å; D351-S393 PolarHBondContact OD1-OG 3.37Å
352	F	88.8	Confident	89.2	Confident	110 Å²	110	53.2 Å²	53.2	48%	0.482	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-43.3	174.5	-173.6	-114.7	0	0	0	112.9	Q305 Q348 N349 R350 T356	Q305-F352 HydrophobicContact CB-CE1 4.45Å; Q348-F352 WeakPolarHBondContact O-CB 3.27Å; Q348-F352 PolarHBondContact O-N 2.73Å; N349-F352 PolarHBondContact O-N 3.28Å; R350-F352 VanDerWaalsContact C-N 3.25Å; R350-F352 PolarHBondContact O-N 2.8Å; F352-T356 WeakPolarHBondContact O-CB 3.45Å; F352-T356 PolarHBondContact O-N 3.26Å; F352-T356 PolarHBondContact O-OG1 3.33Å
353	L	90.9	Very high	89.2	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-51.9	173.4	176.2	63.6	0	0	0	111.8	V301 Q305 L345 N349 R350 Q355 T356 L357	V301-L353 HydrophobicContact CG1-CD1 3.89Å; V301-L353 HydrophobicContact CG1-CD2 3.93Å; V301-L353 HydrophobicContact CG1-CG 4.32Å; Q305-L353 HydrophobicContact CG-CD1 4.16Å; L345-L353 HydrophobicContact CD1-CB 4.31Å; L345-L353 HydrophobicContact CD1-CD2 3.95Å; N349-L353 PolarHBondContact O-N 3.07Å; R350-L353 PolarHBondContact O-N 3.18Å; L353-Q355 VanDerWaalsContact C-N 3.3Å; L353-Q355 PolarHBondContact O-N 3.06Å; L353-T356 WeakPolarHBondContact O-CB 3.48Å; L353-T356 PolarHBondContact O-N 3.43Å; L353-T356 VanDerWaalsContact O-N 3.1Å; L353-L357 HydrophobicContact CD1-CD1 4.14Å; L353-L357 HydrophobicContact CD1-CG 4.14Å; L353-L357 HydrophobicContact CG-CD1 4.01Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.49Å
354	L	89.3	Confident	89.3	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-38.8	-178	-65.1	173.6	0	0	0	111.7	R350 D351 L357 A358 Y391 A394	R350-L354 HydrophobicContact CG-CD1 3.97Å; R350-L354 HydrophobicContact CG-CG 4.45Å; R350-L354 WeakPolarHBondContact O-CG 3.3Å; R350-L354 PolarHBondContact O-N 3.04Å; D351-L354 PolarHBondContact O-N 2.91Å; L354-L357 PolarHBondContact O-N 3.31Å; L354-A358 VanDerWaalsContact O-CB 3.32Å; L354-A358 WeakPolarHBondContact O-CB 3.42Å; L354-A358 PolarHBondContact O-N 2.95Å; L354-Y391 HydrophobicContact CD1-CD2 4.04Å; L354-Y391 HydrophobicContact CD1-CG 4.3Å; L354-A394 HydrophobicContact CB-CB 3.77Å; L354-A394 HydrophobicContact CD1-CB 3.97Å; L354-A394 HydrophobicContact CG-CB 4.32Å
355	Q	86.8	Confident	89.6	Confident	99 Å²	99	52.5 Å²	52.5	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-43.7	172.9	-174.5	176.8	29.8	0	0	111.8	D351 L353 A358 I359 I397	D351-Q355 VanDerWaalsContact O-CB 3.3Å; D351-Q355 WeakPolarHBondContact O-CB 3.24Å; D351-Q355 PolarHBondContact O-N 2.97Å; L353-Q355 VanDerWaalsContact C-N 3.3Å; L353-Q355 PolarHBondContact O-N 3.06Å; Q355-A358 PolarHBondContact O-N 2.97Å; Q355-I359 HydrophobicContact CG-CD1 3.9Å; Q355-I359 VanDerWaalsContact O-CG1 3.31Å; Q355-I359 WeakPolarHBondContact O-CG1 3.43Å; Q355-I359 PolarHBondContact O-N 3.25Å; Q355-I397 HydrophobicContact CG-CD1 4.07Å
356	T	89.5	Confident	89.8	Confident	26 Å²	26	51.9 Å²	51.9	16%	0.16	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-46.9	177.9	-58.6	0	0	0	0	111.2	Q305 L311 F352 L353 A358 I359 S360	Q305-T356 PolarHBondContact NE2-OG1 2.92Å; L311-T356 HydrophobicContact CD1-CG2 3.66Å; F352-T356 WeakPolarHBondContact O-CB 3.45Å; F352-T356 PolarHBondContact O-N 3.26Å; F352-T356 PolarHBondContact O-OG1 3.33Å; L353-T356 WeakPolarHBondContact O-CB 3.48Å; L353-T356 PolarHBondContact O-N 3.43Å; L353-T356 VanDerWaalsContact O-N 3.1Å; T356-A358 VanDerWaalsContact C-N 3.35Å; T356-A358 PolarHBondContact O-N 3.04Å; T356-I359 PolarHBondContact O-N 2.78Å; T356-S360 WeakPolarHBondContact O-CB 3.4Å; T356-S360 PolarHBondContact O-N 2.54Å; T356-S360 PolarHBondContact O-OG 2.91Å
357	L	90.5	Very high	90	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-41.7	176.4	-65.8	171	0	0	0	111.8	F315 L335 V339 L353 L354 S360 G361 I362	F315-L357 HydrophobicContact CE2-CD2 4.22Å; F315-L357 HydrophobicContact CZ-CD2 3.8Å; L335-L357 HydrophobicContact CD1-CD2 4.04Å; V339-L357 HydrophobicContact CG2-CD1 3.69Å; L353-L357 HydrophobicContact CD1-CD1 4.14Å; L353-L357 HydrophobicContact CD1-CG 4.14Å; L353-L357 HydrophobicContact CG-CD1 4.01Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.49Å; L354-L357 PolarHBondContact O-N 3.31Å; L357-S360 PolarHBondContact O-N 3.15Å; L357-G361 PolarHBondContact O-N 3.35Å; L357-I362 HydrophobicContact CB-CB 4.47Å; L357-I362 WeakPolarHBondContact O-CB 3.5Å; L357-I362 PolarHBondContact O-N 3.23Å; L357-I362 VanDerWaalsContact O-N 3.14Å
358	A	86.4	Confident	90.3	Very high	20 Å²	20	47.9 Å²	47.9	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-46.4	178	0	0	0	0	0	111.9	L354 Q355 T356 S360 G361 I397	L354-A358 VanDerWaalsContact O-CB 3.32Å; L354-A358 WeakPolarHBondContact O-CB 3.42Å; L354-A358 PolarHBondContact O-N 2.95Å; Q355-A358 PolarHBondContact O-N 2.97Å; T356-A358 VanDerWaalsContact C-N 3.35Å; T356-A358 PolarHBondContact O-N 3.04Å; A358-S360 VanDerWaalsContact C-N 3.34Å; A358-G361 PolarHBondContact O-N 3.49Å; A358-I397 HydrophobicContact CB-CB 3.99Å; A358-I397 HydrophobicContact CB-CD1 3.9Å; A358-I397 HydrophobicContact CB-CG2 3.71Å
359	I	85.8	Confident	90.6	Very high	124 Å²	124	40.6 Å²	40.6	64%	0.636	21%	0.207	S	C	*	.	H	α-helix	trans	-65.5	-37.5	177	-67.5	168.3	0	0	0	111.3	Q355 T356 G361	Q355-I359 HydrophobicContact CG-CD1 3.9Å; Q355-I359 VanDerWaalsContact O-CG1 3.31Å; Q355-I359 WeakPolarHBondContact O-CG1 3.43Å; Q355-I359 PolarHBondContact O-N 3.25Å; T356-I359 PolarHBondContact O-N 2.78Å; I359-G361 PolarHBondContact O-N 3.16Å
360	S	89.6	Confident	90.9	Very high	42 Å²	42	37.6 Å²	37.6	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-68.7	-16	-180	-58	0	0	0	0	113	F315 T356 L357 A358	F315-S360 VanDerWaalsContact CD1-C 3.5Å; F315-S360 WeakPolarHBondContact CD1-O 3.48Å; T356-S360 WeakPolarHBondContact O-CB 3.4Å; T356-S360 PolarHBondContact O-N 2.54Å; T356-S360 PolarHBondContact O-OG 2.91Å; L357-S360 PolarHBondContact O-N 3.15Å; A358-S360 VanDerWaalsContact C-N 3.34Å
361	G	89.2	Confident	91.1	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	36.3	172.1	0	0	0	0	0	114.4	L357 A358 I359 L363 K364 V365	L357-G361 PolarHBondContact O-N 3.35Å; A358-G361 PolarHBondContact O-N 3.49Å; I359-G361 PolarHBondContact O-N 3.16Å; G361-L363 PolarHBondContact O-N 3.45Å; G361-L363 VanDerWaalsContact O-N 3.1Å; G361-K364 PolarHBondContact O-N 3.32Å; G361-V365 PolarHBondContact O-N 2.8Å
362	I	91.2	Very high	91.4	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-53.4	-32.8	179.4	-165.7	65.1	0	0	0	113	F315 L335 L357 K364 V365 L366 I384 V388	F315-I362 HydrophobicContact CE1-CB 4.16Å; F315-I362 HydrophobicContact CE1-CD1 4.16Å; F315-I362 HydrophobicContact CZ-CD1 4.25Å; L335-I362 HydrophobicContact CD1-CD1 4.26Å; L335-I362 HydrophobicContact CD2-CD1 3.56Å; L335-I362 HydrophobicContact CG-CD1 4.3Å; L357-I362 HydrophobicContact CB-CB 4.47Å; L357-I362 WeakPolarHBondContact O-CB 3.5Å; L357-I362 PolarHBondContact O-N 3.23Å; L357-I362 VanDerWaalsContact O-N 3.14Å; I362-K364 PolarHBondContact O-N 3.25Å; I362-V365 WeakPolarHBondContact O-CB 3.23Å; I362-V365 PolarHBondContact O-N 2.95Å; I362-L366 WeakPolarHBondContact O-CG 3.38Å; I362-L366 PolarHBondContact O-N 3.15Å; I362-I384 HydrophobicContact CD1-CG2 3.98Å; I362-I384 HydrophobicContact CG1-CG2 4.41Å; I362-V388 HydrophobicContact CG1-CG2 4.46Å
363	L	90.2	Very high	91.5	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-46.2	176.4	-177.6	69.5	0	0	0	111.8	G361 V365 L366 E367 F398 C401 L402 L407	G361-L363 PolarHBondContact O-N 3.45Å; G361-L363 VanDerWaalsContact O-N 3.1Å; L363-V365 VanDerWaalsContact C-N 3.27Å; L363-V365 PolarHBondContact O-N 3.13Å; L363-L366 PolarHBondContact O-N 2.88Å; L363-E367 HydrophobicContact CG-CG 4.46Å; L363-E367 VanDerWaalsContact O-CG 3.28Å; L363-E367 WeakPolarHBondContact O-CG 3.4Å; L363-E367 PolarHBondContact O-N 2.91Å; L363-F398 HydrophobicContact CD1-CE2 4.1Å; L363-F398 HydrophobicContact CD1-CZ 4.27Å; L363-C401 HydrophobicContact CD2-CB 3.3Å; L363-C401 WeakPolarHBondContact CD2-O 3.41Å; L363-L402 HydrophobicContact CD1-CD2 4.05Å; L363-L407 HydrophobicContact CD1-CB 4.06Å; L363-L407 HydrophobicContact CD1-CD2 3.37Å; L363-L407 HydrophobicContact CD1-CG 4.28Å
364	K	91.8	Very high	91.7	Very high	140 Å²	140	43 Å²	43	61%	0.609	23%	0.231	S	C	*	.	H	α-helix	trans	-66.3	-33.5	179.5	-67.1	179.6	-179.2	174.9	0	111.6	T319 G361 I362 N368	T319-K364 HydrophobicContact CG2-CB 3.7Å; G361-K364 PolarHBondContact O-N 3.32Å; I362-K364 PolarHBondContact O-N 3.25Å; K364-N368 WeakPolarHBondContact O-CB 3.29Å; K364-N368 PolarHBondContact O-N 2.71Å
365	V	94.8	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-51.4	173.2	174.6	0	0	0	0	109.8	F315 L318 T319 L335 G361 I362 L363 E367 N368 C369	F315-V365 HydrophobicContact CD1-CG2 3.65Å; F315-V365 HydrophobicContact CE1-CG2 3.96Å; F315-V365 HydrophobicContact CG-CG2 4.47Å; L318-V365 HydrophobicContact CB-CB 4.39Å; L318-V365 HydrophobicContact CB-CG1 3.92Å; L318-V365 HydrophobicContact CB-CG2 3.69Å; L318-V365 HydrophobicContact CD1-CG1 4.14Å; L318-V365 HydrophobicContact CD1-CG2 4.2Å; L318-V365 HydrophobicContact CD2-CG1 4.17Å; L318-V365 HydrophobicContact CG-CG1 4.33Å; T319-V365 HydrophobicContact CG2-CG2 3.71Å; L335-V365 HydrophobicContact CD2-CG1 3.85Å; G361-V365 PolarHBondContact O-N 2.8Å; I362-V365 WeakPolarHBondContact O-CB 3.23Å; I362-V365 PolarHBondContact O-N 2.95Å; L363-V365 VanDerWaalsContact C-N 3.27Å; L363-V365 PolarHBondContact O-N 3.13Å; V365-E367 PolarHBondContact O-N 2.79Å; V365-N368 PolarHBondContact O-N 3.35Å; V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 2.85Å; V365-C369 PolarHBondContact O-SG 2.86Å
366	L	94.9	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-45.5	177.8	-68.4	172.5	0	0	0	111.4	I362 L363 N368 C369 F370 A381 I384 V385 F398 L407	I362-L366 WeakPolarHBondContact O-CG 3.38Å; I362-L366 PolarHBondContact O-N 3.15Å; L363-L366 PolarHBondContact O-N 2.88Å; L366-N368 PolarHBondContact O-N 2.72Å; L366-C369 PolarHBondContact O-N 3.1Å; L366-F370 HydrophobicContact CB-CD2 4.2Å; L366-F370 HydrophobicContact CB-CE2 4.23Å; L366-F370 HydrophobicContact CD2-CE2 4.15Å; L366-F370 WeakPolarHBondContact O-CB 3.32Å; L366-F370 WeakPolarHBondContact O-CD2 3.39Å; L366-F370 PolarHBondContact O-N 3.3Å; L366-A381 HydrophobicContact CD2-CB 4.2Å; L366-A381 WeakPolarHBondContact CD2-O 3.27Å; L366-I384 HydrophobicContact CD2-CB 4.05Å; L366-I384 HydrophobicContact CD2-CG2 3.86Å; L366-V385 HydrophobicContact CD1-CB 3.98Å; L366-V385 HydrophobicContact CD1-CG2 3.93Å; L366-V385 HydrophobicContact CD2-CB 4.07Å; L366-F398 HydrophobicContact CD1-CE2 3.99Å; L366-F398 HydrophobicContact CD1-CZ 4.03Å; L366-L407 HydrophobicContact CB-CD1 3.79Å; L366-L407 HydrophobicContact CB-CD2 4.36Å; L366-L407 HydrophobicContact CD1-CD2 4.21Å
367	E	93.9	Very high	92.7	Very high	47 Å²	47	43.5 Å²	43.5	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-46.8	175.7	-71.8	172.7	-179.3	0	0	112.1	L363 V365 S371 S405 P406 L407	L363-E367 HydrophobicContact CG-CG 4.46Å; L363-E367 VanDerWaalsContact O-CG 3.28Å; L363-E367 WeakPolarHBondContact O-CG 3.4Å; L363-E367 PolarHBondContact O-N 2.91Å; V365-E367 PolarHBondContact O-N 2.79Å; E367-S371 VanDerWaalsContact O-CB 3.29Å; E367-S371 WeakPolarHBondContact O-CB 3.41Å; E367-S371 PolarHBondContact O-N 2.95Å; E367-S371 VanDerWaalsContact O-N 3.08Å; E367-S371 PolarHBondContact O-OG 3.3Å; E367-S405 WeakPolarHBondContact OE1-CB 3.45Å; E367-S405 PolarHBondContact OE1-OG 3.47Å; E367-P406 HydrophobicContact CB-CG 4.44Å; E367-P406 HydrophobicContact CG-CG 3.96Å; E367-P406 WeakPolarHBondContact OE1-CD 3.45Å; E367-L407 HydrophobicContact CG-CB 4.03Å
368	N	95.2	Very high	92.9	Very high	21 Å²	21	45 Å²	45	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-51.5	175.9	178.8	43.4	0	0	0	110.6	L318 K364 V365 L366 F370 S371 R372	L318-N368 PolarHBondContact O-ND2 2.69Å; K364-N368 WeakPolarHBondContact O-CB 3.29Å; K364-N368 PolarHBondContact O-N 2.71Å; V365-N368 PolarHBondContact O-N 3.35Å; L366-N368 PolarHBondContact O-N 2.72Å; N368-F370 PolarHBondContact O-N 3.25Å; N368-S371 PolarHBondContact O-N 3.44Å; N368-S371 VanDerWaalsContact O-N 3.14Å; N368-S371 PolarHBondContact O-OG 2.88Å; N368-R372 WeakPolarHBondContact O-CG 3.14Å; N368-R372 PolarHBondContact O-N 3.49Å; N368-R372 PolarHBondContact OD1-NE 3.35Å; N368-R372 PolarHBondContact OD1-NH2 3.33Å
369	C	96.6	Very high	93.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-45.6	-177.4	-67.3	0	0	0	0	112.7	V365 L366 S371 R372 I377 A381	V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 2.85Å; V365-C369 PolarHBondContact O-SG 2.86Å; L366-C369 PolarHBondContact O-N 3.1Å; C369-S371 PolarHBondContact O-N 3.45Å; C369-R372 WeakPolarHBondContact O-CB 3.49Å; C369-R372 PolarHBondContact O-N 3.23Å; C369-I377 HydrophobicContact CB-CG2 3.61Å; C369-A381 HydrophobicContact CB-CB 3.66Å
370	F	95.8	Very high	94	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-27.7	176.4	-76.8	-60.9	0	0	0	113	L366 N368 R372 A381 V382 V385 L407 M411 V414 L429	L366-F370 HydrophobicContact CB-CD2 4.2Å; L366-F370 HydrophobicContact CB-CE2 4.23Å; L366-F370 HydrophobicContact CD2-CE2 4.15Å; L366-F370 WeakPolarHBondContact O-CB 3.32Å; L366-F370 WeakPolarHBondContact O-CD2 3.39Å; L366-F370 PolarHBondContact O-N 3.3Å; N368-F370 PolarHBondContact O-N 3.25Å; F370-R372 VanDerWaalsContact C-N 3.34Å; F370-A381 HydrophobicContact CD1-CB 4.2Å; F370-A381 HydrophobicContact CD2-CB 4.17Å; F370-A381 HydrophobicContact CE1-CB 3.92Å; F370-A381 HydrophobicContact CE2-CB 3.89Å; F370-A381 HydrophobicContact CG-CB 4.33Å; F370-A381 HydrophobicContact CZ-CB 3.75Å; F370-V382 HydrophobicContact CE1-CG2 3.69Å; F370-V382 HydrophobicContact CZ-CG2 4.06Å; F370-V385 HydrophobicContact CE2-CG1 4.36Å; F370-V385 HydrophobicContact CZ-CG1 4.02Å; F370-L407 HydrophobicContact CD2-CD1 3.24Å; F370-L407 HydrophobicContact CE2-CD1 3.56Å; F370-L407 HydrophobicContact CG-CD1 4.34Å; F370-M411 HydrophobicContact CD2-CG 4.32Å; F370-M411 HydrophobicContact CE1-CG 4.37Å; F370-M411 HydrophobicContact CE2-CG 3.97Å; F370-M411 HydrophobicContact CZ-CG 4Å; F370-V414 HydrophobicContact CD1-CB 4.45Å; F370-V414 HydrophobicContact CD1-CG2 3.7Å; F370-V414 HydrophobicContact CE1-CG2 4.32Å; F370-L429 HydrophobicContact CE1-CD2 4.37Å; F370-L429 HydrophobicContact CZ-CD2 4.15Å
371	S	93.6	Very high	94.3	Very high	85 Å²	85	40.2 Å²	40.2	59%	0.594	22%	0.22	S	C	*	.	H	α-helix	trans	-76.9	-16.5	176.6	77.7	0	0	0	0	114.3	E367 N368 C369	E367-S371 VanDerWaalsContact O-CB 3.29Å; E367-S371 WeakPolarHBondContact O-CB 3.41Å; E367-S371 PolarHBondContact O-N 2.95Å; E367-S371 VanDerWaalsContact O-N 3.08Å; E367-S371 PolarHBondContact O-OG 3.3Å; N368-S371 PolarHBondContact O-N 3.44Å; N368-S371 VanDerWaalsContact O-N 3.14Å; N368-S371 PolarHBondContact O-OG 2.88Å; C369-S371 PolarHBondContact O-N 3.45Å
372	R	94	Very high	94.7	Very high	47 Å²	47	39.4 Å²	39.4	18%	0.177	21%	0.212	C	C	.	.	S	Bend	trans	-69.7	148	177.8	-63	-57.9	173.9	144.4	0	110.8	S320 A321 L328 N368 C369 F370 D374 I377 R378	S320-R372 PolarHBondContact O-NH2 3.14Å; A321-R372 PolarHBondContact O-NH1 3.31Å; A321-R372 PolarHBondContact O-NH2 3.08Å; L328-R372 HydrophobicContact CD2-CG 3.91Å; N368-R372 WeakPolarHBondContact O-CG 3.14Å; N368-R372 PolarHBondContact O-N 3.49Å; N368-R372 PolarHBondContact OD1-NE 3.35Å; N368-R372 PolarHBondContact OD1-NH2 3.33Å; C369-R372 WeakPolarHBondContact O-CB 3.49Å; C369-R372 PolarHBondContact O-N 3.23Å; F370-R372 VanDerWaalsContact C-N 3.34Å; R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 3.48Å; R372-I377 HydrophobicContact CB-CD1 4.24Å; R372-I377 HydrophobicContact CB-CG2 4.18Å; R372-I377 HydrophobicContact CG-CD1 4.14Å; R372-I377 HydrophobicContact CG-CG2 4.15Å; R372-R378 PolarHBondContact O-NE 3.43Å; R372-R378 PolarHBondContact O-NH2 2.92Å
373	D	92.4	Very high	94.9	Very high	148 Å²	148	41.6 Å²	41.6	79%	0.791	22%	0.223	S	C	*	.	S	Bend	trans	-92.7	58.5	172.4	-158.4	35.6	0	0	0	111.7	R378	D373-R378 IonicContact OD1-CZ 3.73Å; D373-R378 IonicContact OD1-NH1 3.83Å; D373-R378 PolarHBondContact OD1-NH1 3.41Å; D373-R378 IonicContact OD1-NH2 3.24Å; D373-R378 PolarHBondContact OD1-NH2 3.37Å
374	D	94.8	Very high	95.1	Very high	48 Å²	48	40.8 Å²	40.8	26%	0.257	22%	0.219	S	C	.	.			trans	-145.5	123.9	179.5	-176.3	-81.6	0	0	0	109.9	T325 R372 S376 I377 R378	T325-D374 HydrophobicContact CG2-CB 4.12Å; R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 3.48Å; D374-S376 VanDerWaalsContact C-N 3.33Å; D374-S376 PolarHBondContact O-N 2.85Å; D374-S376 WeakPolarHBondContact OD1-CA 3.44Å; D374-S376 WeakPolarHBondContact OD1-CB 3.11Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 2.95Å; D374-I377 HydrophobicContact CB-CB 4.24Å; D374-I377 HydrophobicContact CB-CD1 4Å; D374-I377 HydrophobicContact CB-CG1 4.12Å; D374-I377 PolarHBondContact OD1-N 3.12Å; D374-R378 VanDerWaalsContact O-CG 3.28Å; D374-R378 WeakPolarHBondContact O-CG 3.4Å; D374-R378 PolarHBondContact O-N 2.74Å; D374-R378 VanDerWaalsContact O-N 3.1Å
375	D	93.8	Very high	95.2	Very high	82 Å²	82	34.1 Å²	34.1	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-71.3	-28.9	-174.6	-67.7	-23.4	0	0	0	112.5	R378 S379	D375-R378 PolarHBondContact O-N 3.24Å; D375-R378 IonicContact OD1-NH1 3.71Å; D375-R378 PolarHBondContact OD1-NH1 3.47Å; D375-S379 VanDerWaalsContact O-CB 3.29Å; D375-S379 WeakPolarHBondContact O-CB 3.41Å; D375-S379 PolarHBondContact O-N 3.29Å
376	S	95.1	Very high	95.1	Very high	56 Å²	56	35.3 Å²	35.3	39%	0.392	20%	0.198	S	C	.	.	H	α-helix	trans	-70.4	-42.7	177.5	75.4	0	0	0	0	111.4	V329 D374 S379 L380	V329-S376 VanDerWaalsContact CG2-OG 3.28Å; V329-S376 WeakPolarHBondContact CG2-OG 3.41Å; D374-S376 VanDerWaalsContact C-N 3.33Å; D374-S376 PolarHBondContact O-N 2.85Å; D374-S376 WeakPolarHBondContact OD1-CA 3.44Å; D374-S376 WeakPolarHBondContact OD1-CB 3.11Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 2.95Å; S376-S379 PolarHBondContact O-N 2.79Å; S376-L380 WeakPolarHBondContact O-CG 3.25Å; S376-L380 PolarHBondContact O-N 2.95Å
377	I	96.9	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-44.2	174.3	-64.8	178.4	0	0	0	110.6	T325 L328 V329 C369 R372 D374 L380 A381	T325-I377 HydrophobicContact CG2-CD1 3.67Å; L328-I377 HydrophobicContact CB-CD1 4.11Å; L328-I377 HydrophobicContact CD2-CD1 3.9Å; L328-I377 HydrophobicContact CD2-CG2 4.46Å; L328-I377 HydrophobicContact CG-CD1 4Å; V329-I377 HydrophobicContact CG2-CD1 4.11Å; V329-I377 HydrophobicContact CG2-CG1 3.46Å; V329-I377 VanDerWaalsContact CG2-CG1 3.46Å; C369-I377 HydrophobicContact CB-CG2 3.61Å; R372-I377 HydrophobicContact CB-CD1 4.24Å; R372-I377 HydrophobicContact CB-CG2 4.18Å; R372-I377 HydrophobicContact CG-CD1 4.14Å; R372-I377 HydrophobicContact CG-CG2 4.15Å; D374-I377 HydrophobicContact CB-CB 4.24Å; D374-I377 HydrophobicContact CB-CD1 4Å; D374-I377 HydrophobicContact CB-CG1 4.12Å; D374-I377 PolarHBondContact OD1-N 3.12Å; I377-L380 PolarHBondContact O-N 3.11Å; I377-A381 PolarHBondContact O-N 2.85Å
378	R	95.9	Very high	94.6	Very high	34 Å²	34	34.2 Å²	34.2	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-44.6	178.1	-72.3	167.6	176.2	158.9	2.9	111.3	R372 D373 D374 D375 L380 A381 V382 V414	R372-R378 PolarHBondContact O-NE 3.43Å; R372-R378 PolarHBondContact O-NH2 2.92Å; D373-R378 IonicContact OD1-CZ 3.73Å; D373-R378 IonicContact OD1-NH1 3.83Å; D373-R378 PolarHBondContact OD1-NH1 3.41Å; D373-R378 IonicContact OD1-NH2 3.24Å; D373-R378 PolarHBondContact OD1-NH2 3.37Å; D374-R378 VanDerWaalsContact O-CG 3.28Å; D374-R378 WeakPolarHBondContact O-CG 3.4Å; D374-R378 PolarHBondContact O-N 2.74Å; D374-R378 VanDerWaalsContact O-N 3.1Å; D375-R378 PolarHBondContact O-N 3.24Å; D375-R378 IonicContact OD1-NH1 3.71Å; D375-R378 PolarHBondContact OD1-NH1 3.47Å; R378-L380 PolarHBondContact O-N 2.98Å; R378-A381 WeakPolarHBondContact O-CB 3.45Å; R378-A381 PolarHBondContact O-N 3.44Å; R378-A381 VanDerWaalsContact O-N 3.15Å; R378-V382 WeakPolarHBondContact O-CG2 3.36Å; R378-V382 PolarHBondContact O-N 3.33Å; R378-V414 HydrophobicContact CB-CG1 4.36Å; R378-V414 HydrophobicContact CB-CG2 4.22Å; R378-V414 HydrophobicContact CG-CG2 3.83Å
379	S	95.8	Very high	94.1	Very high	57 Å²	57	33.3 Å²	33.3	40%	0.399	19%	0.19	S	C	.	.	H	α-helix	trans	-59.1	-45	176.7	175	0	0	0	0	111.9	D375 S376 A381 V382 D383	D375-S379 VanDerWaalsContact O-CB 3.29Å; D375-S379 WeakPolarHBondContact O-CB 3.41Å; D375-S379 PolarHBondContact O-N 3.29Å; S376-S379 PolarHBondContact O-N 2.79Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 3.01Å; S379-V382 WeakPolarHBondContact O-CB 3.44Å; S379-V382 PolarHBondContact O-N 3.09Å; S379-V382 VanDerWaalsContact O-N 3.15Å; S379-D383 PolarHBondContact O-N 3.15Å; S379-D383 VanDerWaalsContact O-N 3.09Å
380	L	97.8	Very high	93.5	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-40.8	174.2	-70	168.4	0	0	0	112.2	V329 A332 K336 S376 I377 R378 V382 D383 I384	V329-L380 HydrophobicContact CG1-CD1 4.15Å; V329-L380 WeakPolarHBondContact O-CD1 3.5Å; A332-L380 HydrophobicContact CB-CB 4.12Å; A332-L380 HydrophobicContact CB-CD1 3.91Å; K336-L380 HydrophobicContact CB-CD2 4.24Å; K336-L380 HydrophobicContact CG-CD2 4.33Å; S376-L380 WeakPolarHBondContact O-CG 3.25Å; S376-L380 PolarHBondContact O-N 2.95Å; I377-L380 PolarHBondContact O-N 3.11Å; R378-L380 PolarHBondContact O-N 2.98Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 3.05Å; L380-D383 PolarHBondContact O-N 2.92Å; L380-I384 WeakPolarHBondContact O-CD1 3.25Å; L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 3.47Å; L380-I384 PolarHBondContact O-N 3.41Å
381	A	97	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-34.3	176.2	0	0	0	0	0	112.7	L366 C369 F370 I377 R378 S379 V385	L366-A381 HydrophobicContact CD2-CB 4.2Å; L366-A381 WeakPolarHBondContact CD2-O 3.27Å; C369-A381 HydrophobicContact CB-CB 3.66Å; F370-A381 HydrophobicContact CD1-CB 4.2Å; F370-A381 HydrophobicContact CD2-CB 4.17Å; F370-A381 HydrophobicContact CE1-CB 3.92Å; F370-A381 HydrophobicContact CE2-CB 3.89Å; F370-A381 HydrophobicContact CG-CB 4.33Å; F370-A381 HydrophobicContact CZ-CB 3.75Å; I377-A381 PolarHBondContact O-N 2.85Å; R378-A381 WeakPolarHBondContact O-CB 3.45Å; R378-A381 PolarHBondContact O-N 3.44Å; R378-A381 VanDerWaalsContact O-N 3.15Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 3.01Å; A381-V385 WeakPolarHBondContact O-CB 3.4Å; A381-V385 WeakPolarHBondContact O-CG1 3.34Å; A381-V385 PolarHBondContact O-N 3.37Å
382	V	96.7	Very high	91.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-45.3	174	173.8	0	0	0	0	110.9	F370 R378 S379 L380 V385 S386 T425 Q428 L429	F370-V382 HydrophobicContact CE1-CG2 3.69Å; F370-V382 HydrophobicContact CZ-CG2 4.06Å; R378-V382 WeakPolarHBondContact O-CG2 3.36Å; R378-V382 PolarHBondContact O-N 3.33Å; S379-V382 WeakPolarHBondContact O-CB 3.44Å; S379-V382 PolarHBondContact O-N 3.09Å; S379-V382 VanDerWaalsContact O-N 3.15Å; L380-V382 VanDerWaalsContact C-N 3.31Å; L380-V382 PolarHBondContact O-N 3.05Å; V382-V385 WeakPolarHBondContact O-CG1 3.24Å; V382-V385 PolarHBondContact O-N 3.02Å; V382-S386 WeakPolarHBondContact O-CB 3.43Å; V382-S386 PolarHBondContact O-N 2.97Å; V382-S386 PolarHBondContact O-OG 3.47Å; V382-S386 VanDerWaalsContact O-OG 3.05Å; V382-T425 HydrophobicContact CB-CG2 4.36Å; V382-T425 HydrophobicContact CG1-CG2 4.31Å; V382-T425 HydrophobicContact CG2-CG2 3.66Å; V382-Q428 HydrophobicContact CG1-CB 4.1Å; V382-Q428 HydrophobicContact CG1-CG 3.71Å; V382-L429 HydrophobicContact CG1-CD2 4.28Å; V382-L429 HydrophobicContact CG1-CG 4.16Å; V382-L429 HydrophobicContact CG2-CD1 3.89Å; V382-L429 HydrophobicContact CG2-CD2 3.84Å; V382-L429 HydrophobicContact CG2-CG 3.81Å
383	D	96	Very high	90	Very high	50 Å²	50	39.8 Å²	39.8	27%	0.267	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-45.8	176.2	-73.4	-13.2	0	0	0	112.3	K336 S379 L380 S386 C387 Q428	K336-D383 WeakPolarHBondContact CE-OD2 3.22Å; K336-D383 HydrophobicContact CG-CB 3.74Å; S379-D383 PolarHBondContact O-N 3.15Å; S379-D383 VanDerWaalsContact O-N 3.09Å; L380-D383 PolarHBondContact O-N 2.92Å; D383-S386 PolarHBondContact O-N 2.99Å; D383-C387 PolarHBondContact O-N 3.1Å; D383-Q428 PolarHBondContact OD1-NE2 3.3Å
384	I	95.2	Very high	88.6	Confident	1 Å²	1	33 Å²	33	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-49.5	178.9	-66.6	162.6	0	0	0	110.2	L335 K336 V339 I362 L366 L380 S386 C387 V388	L335-I384 HydrophobicContact CB-CD1 4.31Å; L335-I384 HydrophobicContact CD2-CD1 3.98Å; L335-I384 HydrophobicContact CG-CD1 4.04Å; K336-I384 HydrophobicContact CB-CD1 4.21Å; K336-I384 HydrophobicContact CB-CG1 3.8Å; K336-I384 HydrophobicContact CG-CG1 4.38Å; V339-I384 HydrophobicContact CG2-CG2 4.42Å; I362-I384 HydrophobicContact CD1-CG2 3.98Å; I362-I384 HydrophobicContact CG1-CG2 4.41Å; L366-I384 HydrophobicContact CD2-CB 4.05Å; L366-I384 HydrophobicContact CD2-CG2 3.86Å; L380-I384 WeakPolarHBondContact O-CD1 3.25Å; L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 3.47Å; L380-I384 PolarHBondContact O-N 3.41Å; I384-S386 VanDerWaalsContact C-N 3.33Å; I384-S386 PolarHBondContact O-N 3.47Å; I384-C387 PolarHBondContact O-N 2.8Å; I384-V388 HydrophobicContact CG2-CG2 4.29Å; I384-V388 WeakPolarHBondContact O-CB 3.28Å; I384-V388 VanDerWaalsContact O-CG2 3.29Å; I384-V388 WeakPolarHBondContact O-CG2 3.46Å; I384-V388 PolarHBondContact O-N 3.44Å
385	V	93	Very high	87.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-38.9	-178.5	74.3	0	0	0	0	111.1	L366 F370 A381 V382 C387 V388 T389 F398 L429 V432	L366-V385 HydrophobicContact CD1-CB 3.98Å; L366-V385 HydrophobicContact CD1-CG2 3.93Å; L366-V385 HydrophobicContact CD2-CB 4.07Å; F370-V385 HydrophobicContact CE2-CG1 4.36Å; F370-V385 HydrophobicContact CZ-CG1 4.02Å; A381-V385 WeakPolarHBondContact O-CB 3.4Å; A381-V385 WeakPolarHBondContact O-CG1 3.34Å; A381-V385 PolarHBondContact O-N 3.37Å; V382-V385 WeakPolarHBondContact O-CG1 3.24Å; V382-V385 PolarHBondContact O-N 3.02Å; V385-C387 PolarHBondContact O-N 3.46Å; V385-V388 PolarHBondContact O-N 3.29Å; V385-T389 HydrophobicContact CG2-CG2 4.15Å; V385-T389 WeakPolarHBondContact O-CB 3.43Å; V385-T389 WeakPolarHBondContact O-CG2 3.49Å; V385-T389 PolarHBondContact O-N 3.44Å; V385-T389 PolarHBondContact O-OG1 2.83Å; V385-F398 HydrophobicContact CG2-CZ 4.12Å; V385-L429 HydrophobicContact CG1-CD2 4.17Å; V385-V432 HydrophobicContact CG1-CG1 4.36Å; V385-V432 HydrophobicContact CG1-CG2 4.43Å; V385-V432 HydrophobicContact CG2-CG1 4.06Å
386	S	92.7	Very high	85.7	Confident	25 Å²	25	29.4 Å²	29.4	18%	0.175	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-50.8	175.6	-70.1	0	0	0	0	112.2	V382 D383 I384 T389 E390 Q428 V432	V382-S386 WeakPolarHBondContact O-CB 3.43Å; V382-S386 PolarHBondContact O-N 2.97Å; V382-S386 PolarHBondContact O-OG 3.47Å; V382-S386 VanDerWaalsContact O-OG 3.05Å; D383-S386 PolarHBondContact O-N 2.99Å; I384-S386 VanDerWaalsContact C-N 3.33Å; I384-S386 PolarHBondContact O-N 3.47Å; S386-T389 PolarHBondContact O-N 3.37Å; S386-T389 PolarHBondContact O-OG1 3.09Å; S386-T389 VanDerWaalsContact O-OG1 3.06Å; S386-E390 PolarHBondContact O-N 3.2Å; S386-Q428 VanDerWaalsContact OG-CG 3.26Å; S386-Q428 WeakPolarHBondContact OG-CG 3.43Å; S386-Q428 PolarHBondContact OG-NE2 3.01Å; S386-V432 VanDerWaalsContact OG-CG2 3.3Å; S386-V432 WeakPolarHBondContact OG-CG2 3.28Å
387	C	90.3	Very high	84.2	Confident	16 Å²	16	28.4 Å²	28.4	11%	0.108	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-38.8	-178.3	-168.2	0	0	0	0	112.2	V339 S342 D383 I384 V385 T389 E390	V339-C387 HydrophobicContact CG1-CB 3.73Å; V339-C387 PolarHBondContact O-SG 3.18Å; V339-C387 VanDerWaalsContact O-SG 3.41Å; S342-C387 PolarHBondContact OG-SG 3.37Å; S342-C387 VanDerWaalsContact OG-SG 3.37Å; D383-C387 PolarHBondContact O-N 3.1Å; I384-C387 PolarHBondContact O-N 2.8Å; V385-C387 PolarHBondContact O-N 3.46Å; C387-T389 VanDerWaalsContact C-N 3.34Å; C387-T389 PolarHBondContact O-N 3.31Å; C387-E390 PolarHBondContact O-N 3.23Å
388	V	87.9	Confident	82.8	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-33.9	177	172.8	0	0	0	0	112.2	V339 I362 I384 V385	V339-V388 HydrophobicContact CG1-CG2 3.8Å; I362-V388 HydrophobicContact CG1-CG2 4.46Å; I384-V388 HydrophobicContact CG2-CG2 4.29Å; I384-V388 WeakPolarHBondContact O-CB 3.28Å; I384-V388 VanDerWaalsContact O-CG2 3.29Å; I384-V388 WeakPolarHBondContact O-CG2 3.46Å; I384-V388 PolarHBondContact O-N 3.44Å; V385-V388 PolarHBondContact O-N 3.29Å
389	T	85.2	Confident	81.5	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-80.7	-18.5	-179.6	54.6	0	0	0	0	114.2	V385 S386 C387 Y391 L395 F398 V432 M435 L436	V385-T389 HydrophobicContact CG2-CG2 4.15Å; V385-T389 WeakPolarHBondContact O-CB 3.43Å; V385-T389 WeakPolarHBondContact O-CG2 3.49Å; V385-T389 PolarHBondContact O-N 3.44Å; V385-T389 PolarHBondContact O-OG1 2.83Å; S386-T389 PolarHBondContact O-N 3.37Å; S386-T389 PolarHBondContact O-OG1 3.09Å; S386-T389 VanDerWaalsContact O-OG1 3.06Å; C387-T389 VanDerWaalsContact C-N 3.34Å; C387-T389 PolarHBondContact O-N 3.31Å; T389-Y391 PolarHBondContact O-N 3.36Å; T389-Y391 VanDerWaalsContact O-N 3.13Å; T389-L395 HydrophobicContact CG2-CD2 4.4Å; T389-F398 HydrophobicContact CG2-CE1 4.18Å; T389-V432 HydrophobicContact CG2-CG1 3.87Å; T389-M435 VanDerWaalsContact C-SD 3.53Å; T389-L436 HydrophobicContact CG2-CD1 4.46Å; T389-L436 HydrophobicContact CG2-CD2 3.92Å; T389-L436 HydrophobicContact CG2-CG 4.25Å
390	E	84	Confident	80	Confident	90 Å²	90	31.9 Å²	31.9	42%	0.421	16%	0.161	S	C	.	.	S	Bend	trans	-59.5	-25.8	-174.5	-168.8	172.7	-175.7	0	0	113.8	Q343 S386 C387	Q343-E390 PolarHBondContact NE2-OE2 2.69Å; S386-E390 PolarHBondContact O-N 3.2Å; C387-E390 PolarHBondContact O-N 3.23Å
391	Y	77.9	Confident	78.5	Confident	41 Å²	41	33.5 Å²	33.5	16%	0.161	17%	0.174	C	C	.	.	S	Bend	trans	-116.7	126.9	-175.6	-56.9	-74.8	0	0	0	112.7	R350 L354 T389 S393 A394	R350-Y391 HydrophobicContact CG-CD2 4.48Å; L354-Y391 HydrophobicContact CD1-CD2 4.04Å; L354-Y391 HydrophobicContact CD1-CG 4.3Å; T389-Y391 PolarHBondContact O-N 3.36Å; T389-Y391 VanDerWaalsContact O-N 3.13Å; Y391-S393 VanDerWaalsContact C-N 3.26Å; Y391-S393 PolarHBondContact O-N 3.41Å; Y391-A394 PolarHBondContact O-N 3.06Å
392	N	67	Low	77.3	Confident	90 Å²	90	33.6 Å²	33.6	48%	0.481	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-59.4	-29.7	-175.8	-71.2	-26	0	0	0	114.4	A394 L395	N392-A394 PolarHBondContact O-N 2.99Å; N392-A394 VanDerWaalsContact O-N 3.17Å; N392-L395 WeakPolarHBondContact O-CB 3.26Å; N392-L395 PolarHBondContact O-N 3.39Å; N392-L395 VanDerWaalsContact O-N 3.1Å
393	S	64.6	Low	76	Confident	57 Å²	57	37.4 Å²	37.4	40%	0.399	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-61	-25.5	-176.8	53.2	0	0	0	0	113.9	D351 Y391	D351-S393 VanDerWaalsContact CG-CB 3.49Å; D351-S393 WeakPolarHBondContact OD1-CB 3.13Å; D351-S393 PolarHBondContact OD1-OG 3.37Å; Y391-S393 VanDerWaalsContact C-N 3.26Å; Y391-S393 PolarHBondContact O-N 3.41Å
394	A	62.3	Low	75	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.033	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-88.9	-19.4	179	0	0	0	0	0	113.8	L354 Y391 N392 D396 F398	L354-A394 HydrophobicContact CB-CB 3.77Å; L354-A394 HydrophobicContact CD1-CB 3.97Å; L354-A394 HydrophobicContact CG-CB 4.32Å; Y391-A394 PolarHBondContact O-N 3.06Å; N392-A394 PolarHBondContact O-N 2.99Å; N392-A394 VanDerWaalsContact O-N 3.17Å; A394-D396 VanDerWaalsContact C-N 3.32Å; A394-D396 PolarHBondContact O-N 2.98Å; A394-F398 PolarHBondContact O-N 2.85Å
395	L	65.6	Low	74.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-30.5	-167.9	-67.9	-178.1	0	0	0	112.4	T389 N392 I397 F398 F399 L436	T389-L395 HydrophobicContact CG2-CD2 4.4Å; N392-L395 WeakPolarHBondContact O-CB 3.26Å; N392-L395 PolarHBondContact O-N 3.39Å; N392-L395 VanDerWaalsContact O-N 3.1Å; L395-I397 PolarHBondContact O-N 3Å; L395-F398 CarbonylContact O-C 3.59Å; L395-F398 PolarHBondContact O-N 2.97Å; L395-F399 HydrophobicContact CB-CD2 3.82Å; L395-F399 HydrophobicContact CB-CE2 3.65Å; L395-F399 HydrophobicContact CD1-CE2 4.14Å; L395-F399 HydrophobicContact CD2-CE2 4.49Å; L395-F399 HydrophobicContact CG-CE2 4.32Å; L395-F399 WeakPolarHBondContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CD2 3.38Å; L395-F399 WeakPolarHBondContact O-CG 3.44Å; L395-F399 PolarHBondContact O-N 3.3Å; L395-L436 HydrophobicContact CD2-CD2 3.94Å
396	D	63.8	Low	74.1	Confident	54 Å²	54	45.6 Å²	45.6	29%	0.289	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-44.2	-177.6	-74.9	-2.6	0	0	0	113.3	A394 R400 T444	A394-D396 VanDerWaalsContact C-N 3.32Å; A394-D396 PolarHBondContact O-N 2.98Å; D396-R400 WeakPolarHBondContact O-CG 3.33Å; D396-R400 PolarHBondContact O-N 3.35Å; D396-T444 WeakPolarHBondContact OD1-CB 3.48Å; D396-T444 PolarHBondContact OD1-OG1 3.37Å
397	I	61.8	Low	74.1	Confident	35 Å²	35	44.5 Å²	44.5	18%	0.179	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-41.2	175.6	-58.8	168.5	0	0	0	109.2	Q355 A358 L395 R400 C401	Q355-I397 HydrophobicContact CG-CD1 4.07Å; A358-I397 HydrophobicContact CB-CB 3.99Å; A358-I397 HydrophobicContact CB-CD1 3.9Å; A358-I397 HydrophobicContact CB-CG2 3.71Å; L395-I397 PolarHBondContact O-N 3Å; I397-R400 VanDerWaalsContact CG1-NH2 3.31Å; I397-R400 PolarHBondContact O-N 3.36Å; I397-C401 PolarHBondContact O-N 3.17Å; I397-C401 PolarHBondContact O-SG 2.82Å; I397-C401 VanDerWaalsContact O-SG 3.39Å
398	F	68.6	Low	74.2	Confident	7 Å²	7	44 Å²	44	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-48.3	-178.7	-157.6	-108.4	0	0	0	111.7	L363 L366 V385 T389 A394 L395 R400 C401 L402 L407 L436	L363-F398 HydrophobicContact CD1-CE2 4.1Å; L363-F398 HydrophobicContact CD1-CZ 4.27Å; L366-F398 HydrophobicContact CD1-CE2 3.99Å; L366-F398 HydrophobicContact CD1-CZ 4.03Å; V385-F398 HydrophobicContact CG2-CZ 4.12Å; T389-F398 HydrophobicContact CG2-CE1 4.18Å; A394-F398 PolarHBondContact O-N 2.85Å; L395-F398 CarbonylContact O-C 3.59Å; L395-F398 PolarHBondContact O-N 2.97Å; F398-R400 PolarHBondContact O-N 2.93Å; F398-C401 PolarHBondContact O-N 3.33Å; F398-L402 HydrophobicContact CD1-CD1 3.6Å; F398-L402 HydrophobicContact CD1-CG 4.09Å; F398-L402 HydrophobicContact CE1-CD1 3.77Å; F398-L402 HydrophobicContact CE1-CD2 4.25Å; F398-L402 HydrophobicContact CE1-CG 4.17Å; F398-L402 VanDerWaalsContact O-CG 3.31Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.3Å; F398-L407 HydrophobicContact CE1-CD2 4.23Å; F398-L407 HydrophobicContact CE2-CD2 4.4Å; F398-L407 HydrophobicContact CZ-CD2 3.58Å; F398-L436 HydrophobicContact CD1-CD2 4.08Å; F398-L436 HydrophobicContact CE1-CD1 4.4Å; F398-L436 HydrophobicContact CE1-CD2 4.24Å
399	F	68	Low	74.4	Confident	10 Å²	10	45.7 Å²	45.7	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-40.5	178	-78.9	-55.5	0	0	0	113.2	L395 C401 L402 L436 M442 F451	L395-F399 HydrophobicContact CB-CD2 3.82Å; L395-F399 HydrophobicContact CB-CE2 3.65Å; L395-F399 HydrophobicContact CD1-CE2 4.14Å; L395-F399 HydrophobicContact CD2-CE2 4.49Å; L395-F399 HydrophobicContact CG-CE2 4.32Å; L395-F399 WeakPolarHBondContact O-CB 3.25Å; L395-F399 WeakPolarHBondContact O-CD2 3.38Å; L395-F399 WeakPolarHBondContact O-CG 3.44Å; L395-F399 PolarHBondContact O-N 3.3Å; F399-C401 PolarHBondContact O-N 3.21Å; F399-L402 HydrophobicContact CD1-CD1 4.09Å; F399-L402 PolarHBondContact O-N 3.48Å; F399-L436 HydrophobicContact CE1-CB 4.28Å; F399-L436 HydrophobicContact CE1-CD2 3.93Å; F399-L436 VanDerWaalsContact CE1-O 3.3Å; F399-L436 WeakPolarHBondContact CE1-O 3.35Å; F399-L436 HydrophobicContact CZ-CD2 4.02Å; F399-L436 WeakPolarHBondContact CZ-O 3.33Å; F399-M442 HydrophobicContact CZ-CG 4.28Å; F399-F451 HydrophobicContact CD1-CD1 4.46Å; F399-F451 HydrophobicContact CD1-CD2 4.49Å; F399-F451 HydrophobicContact CD1-CE1 4.37Å; F399-F451 HydrophobicContact CD1-CE2 4.41Å; F399-F451 HydrophobicContact CD1-CZ 4.35Å; F399-F451 HydrophobicContact CE1-CD1 4.31Å; F399-F451 AromaticContact CE1-CE1 3.98Å; F399-F451 HydrophobicContact CE1-CE1 3.98Å; F399-F451 HydrophobicContact CE1-CZ 4.19Å
400	R	64.3	Low	74.9	Confident	147 Å²	147	46.2 Å²	46.2	56%	0.555	25%	0.247	S	C	*	.	H	α-helix	trans	-58.6	-37.8	176.4	-78	-170.8	-66.9	-113.5	4	112	D396 I397 F398	D396-R400 WeakPolarHBondContact O-CG 3.33Å; D396-R400 PolarHBondContact O-N 3.35Å; I397-R400 VanDerWaalsContact CG1-NH2 3.31Å; I397-R400 PolarHBondContact O-N 3.36Å; F398-R400 PolarHBondContact O-N 2.93Å
401	C	66.5	Low	75.4	Confident	65 Å²	65	41.9 Å²	41.9	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-86.9	-19.2	-177.8	-60.1	0	0	0	0	113	L363 I397 F398 F399 Q403	L363-C401 HydrophobicContact CD2-CB 3.3Å; L363-C401 WeakPolarHBondContact CD2-O 3.41Å; I397-C401 PolarHBondContact O-N 3.17Å; I397-C401 PolarHBondContact O-SG 2.82Å; I397-C401 VanDerWaalsContact O-SG 3.39Å; F398-C401 PolarHBondContact O-N 3.33Å; F399-C401 PolarHBondContact O-N 3.21Å; C401-Q403 VanDerWaalsContact C-N 3.33Å; C401-Q403 PolarHBondContact O-N 3.38Å
402	L	71.6	Confident	76.3	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-70.8	-23.8	178	-81.9	174.9	0	0	0	113.9	L363 F398 F399 N404 S405 L407 I408 L436 F451	L363-L402 HydrophobicContact CD1-CD2 4.05Å; F398-L402 HydrophobicContact CD1-CD1 3.6Å; F398-L402 HydrophobicContact CD1-CG 4.09Å; F398-L402 HydrophobicContact CE1-CD1 3.77Å; F398-L402 HydrophobicContact CE1-CD2 4.25Å; F398-L402 HydrophobicContact CE1-CG 4.17Å; F398-L402 VanDerWaalsContact O-CG 3.31Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.3Å; F399-L402 HydrophobicContact CD1-CD1 4.09Å; F399-L402 PolarHBondContact O-N 3.48Å; L402-N404 PolarHBondContact O-N 3.38Å; L402-S405 WeakPolarHBondContact O-CB 3.5Å; L402-S405 PolarHBondContact O-N 3.17Å; L402-L407 HydrophobicContact CD2-CB 4.12Å; L402-L407 HydrophobicContact CD2-CD2 3.88Å; L402-L407 HydrophobicContact CD2-CG 4.36Å; L402-I408 HydrophobicContact CD2-CG1 4.21Å; L402-L436 HydrophobicContact CD1-CD1 4.43Å; L402-L436 HydrophobicContact CD1-CD2 4.4Å; L402-F451 HydrophobicContact CB-CE2 4.07Å; L402-F451 HydrophobicContact CD1-CE2 4.24Å; L402-F451 HydrophobicContact CD1-CZ 4.46Å
403	Q	70.5	Confident	77.7	Confident	82 Å²	82	38.9 Å²	38.9	38%	0.383	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	112.3	177.6	-71.8	-171.4	-9.2	0	0	110.2	C401 S405	C401-Q403 VanDerWaalsContact C-N 3.33Å; C401-Q403 PolarHBondContact O-N 3.38Å; Q403-S405 VanDerWaalsContact C-N 3.29Å
404	N	73.9	Confident	79.3	Confident	135 Å²	135	36.5 Å²	36.5	72%	0.722	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	7.8	-172.1	-46.7	-67.5	0	0	0	116.2	L402	L402-N404 PolarHBondContact O-N 3.38Å
405	S	82.3	Confident	80.9	Confident	11 Å²	11	36.3 Å²	36.3	8%	0.077	20%	0.195	C	C	.	.			trans	-68.5	140.1	172.9	170	0	0	0	0	111.1	E367 L402 Q403 L407	E367-S405 WeakPolarHBondContact OE1-CB 3.45Å; E367-S405 PolarHBondContact OE1-OG 3.47Å; L402-S405 WeakPolarHBondContact O-CB 3.5Å; L402-S405 PolarHBondContact O-N 3.17Å; Q403-S405 VanDerWaalsContact C-N 3.29Å; S405-L407 PolarHBondContact O-N 2.84Å; S405-L407 WeakPolarHBondContact OG-CB 3.38Å; S405-L407 PolarHBondContact OG-N 2.87Å
406	P	88.3	Confident	82.4	Confident	77 Å²	77	37.6 Å²	37.6	50%	0.5	20%	0.201	S	C	.	.	S	Bend	trans	-70.8	-7.2	168.7	31.3	-35.7	0	0	0	112.8	E367 I408 S409 G410	E367-P406 HydrophobicContact CB-CG 4.44Å; E367-P406 HydrophobicContact CG-CG 3.96Å; E367-P406 WeakPolarHBondContact OE1-CD 3.45Å; P406-I408 PolarHBondContact O-N 2.96Å; P406-S409 CarbonylContact O-C 3.55Å; P406-S409 WeakPolarHBondContact O-CA 3.41Å; P406-S409 VanDerWaalsContact O-CB 3.24Å; P406-S409 WeakPolarHBondContact O-CB 3.34Å; P406-S409 PolarHBondContact O-N 3.27Å; P406-G410 PolarHBondContact O-N 3.5Å
407	L	91.6	Very high	83.8	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-54.4	-172.2	177.7	59.2	0	0	0	112.7	L363 L366 E367 F370 F398 L402 S405 S409 G410 M411	L363-L407 HydrophobicContact CD1-CB 4.06Å; L363-L407 HydrophobicContact CD1-CD2 3.37Å; L363-L407 HydrophobicContact CD1-CG 4.28Å; L366-L407 HydrophobicContact CB-CD1 3.79Å; L366-L407 HydrophobicContact CB-CD2 4.36Å; L366-L407 HydrophobicContact CD1-CD2 4.21Å; E367-L407 HydrophobicContact CG-CB 4.03Å; F370-L407 HydrophobicContact CD2-CD1 3.24Å; F370-L407 HydrophobicContact CE2-CD1 3.56Å; F370-L407 HydrophobicContact CG-CD1 4.34Å; F398-L407 HydrophobicContact CE1-CD2 4.23Å; F398-L407 HydrophobicContact CE2-CD2 4.4Å; F398-L407 HydrophobicContact CZ-CD2 3.58Å; L402-L407 HydrophobicContact CD2-CB 4.12Å; L402-L407 HydrophobicContact CD2-CD2 3.88Å; L402-L407 HydrophobicContact CD2-CG 4.36Å; S405-L407 PolarHBondContact O-N 2.84Å; S405-L407 WeakPolarHBondContact OG-CB 3.38Å; S405-L407 PolarHBondContact OG-N 2.87Å; L407-S409 PolarHBondContact O-N 3.31Å; L407-G410 CarbonylContact O-C 3.56Å; L407-G410 WeakPolarHBondContact O-CA 3.41Å; L407-G410 PolarHBondContact O-N 2.9Å; L407-M411 HydrophobicContact CD1-CG 4.18Å; L407-M411 HydrophobicContact CD1-SD 4.27Å; L407-M411 HydrophobicContact CG-CG 4.43Å; L407-M411 HydrophobicContact CG-SD 3.96Å; L407-M411 WeakPolarHBondContact O-CG 3.34Å; L407-M411 PolarHBondContact O-N 3.02Å
408	I	92.1	Very high	85.4	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-37.5	179.8	-60.1	178.9	0	0	0	110.4	L402 P406 M411 I412 M433 F451 F454 F455 C459	L402-I408 HydrophobicContact CD2-CG1 4.21Å; P406-I408 PolarHBondContact O-N 2.96Å; I408-M411 PolarHBondContact O-N 3.17Å; I408-I412 HydrophobicContact CG2-CD1 4.12Å; I408-I412 WeakPolarHBondContact O-CG1 3.38Å; I408-I412 PolarHBondContact O-N 2.96Å; I408-M433 HydrophobicContact CG2-CE 4.3Å; I408-F451 HydrophobicContact CD1-CE2 3.87Å; I408-F451 HydrophobicContact CD1-CZ 3.74Å; I408-F454 HydrophobicContact CD1-CE1 4.43Å; I408-F455 HydrophobicContact CD1-CD2 4.33Å; I408-F455 HydrophobicContact CG2-CD2 4.26Å; I408-F455 HydrophobicContact CG2-CE2 4Å; I408-C459 HydrophobicContact CG2-CB 3.87Å
409	S	92.9	Very high	86.5	Confident	45 Å²	45	42.9 Å²	42.9	32%	0.315	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-43.9	175.3	-171	0	0	0	0	111.3	P406 L407 I412 D413 K462	P406-S409 CarbonylContact O-C 3.55Å; P406-S409 WeakPolarHBondContact O-CA 3.41Å; P406-S409 VanDerWaalsContact O-CB 3.24Å; P406-S409 WeakPolarHBondContact O-CB 3.34Å; P406-S409 PolarHBondContact O-N 3.27Å; L407-S409 PolarHBondContact O-N 3.31Å; S409-I412 PolarHBondContact O-N 3.19Å; S409-D413 PolarHBondContact O-N 2.71Å; S409-K462 PolarHBondContact O-NZ 2.75Å; S409-K462 PolarHBondContact OG-NZ 3.38Å
410	G	94.9	Very high	87.8	Confident	12 Å²	12	45.1 Å²	45.1	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-42.8	176.4	0	0	0	0	0	112.6	P406 L407 I412 D413 V414	P406-G410 PolarHBondContact O-N 3.5Å; L407-G410 CarbonylContact O-C 3.56Å; L407-G410 WeakPolarHBondContact O-CA 3.41Å; L407-G410 PolarHBondContact O-N 2.9Å; G410-I412 VanDerWaalsContact C-N 3.32Å; G410-I412 PolarHBondContact O-N 3.01Å; G410-D413 WeakPolarHBondContact O-CB 3.17Å; G410-D413 PolarHBondContact O-N 2.82Å; G410-D413 VanDerWaalsContact O-N 3.08Å; G410-V414 PolarHBondContact O-N 3.29Å
411	M	95.8	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-44.2	172.7	-66.1	164.5	72.7	0	0	111.1	F370 L407 I408 D413 V414 M415 L429 V432 M433	F370-M411 HydrophobicContact CD2-CG 4.32Å; F370-M411 HydrophobicContact CE1-CG 4.37Å; F370-M411 HydrophobicContact CE2-CG 3.97Å; F370-M411 HydrophobicContact CZ-CG 4Å; L407-M411 HydrophobicContact CD1-CG 4.18Å; L407-M411 HydrophobicContact CD1-SD 4.27Å; L407-M411 HydrophobicContact CG-CG 4.43Å; L407-M411 HydrophobicContact CG-SD 3.96Å; L407-M411 WeakPolarHBondContact O-CG 3.34Å; L407-M411 PolarHBondContact O-N 3.02Å; I408-M411 PolarHBondContact O-N 3.17Å; M411-D413 VanDerWaalsContact C-N 3.31Å; M411-D413 PolarHBondContact O-N 3.38Å; M411-V414 PolarHBondContact O-N 2.91Å; M411-M415 VanDerWaalsContact O-CG 3.28Å; M411-M415 WeakPolarHBondContact O-CG 3.14Å; M411-M415 PolarHBondContact O-N 2.89Å; M411-L429 HydrophobicContact CB-CD1 4.33Å; M411-L429 HydrophobicContact CB-CD2 4.12Å; M411-L429 HydrophobicContact CE-CD2 3.6Å; M411-L429 HydrophobicContact CG-CD2 3.93Å; M411-V432 HydrophobicContact CE-CB 4.16Å; M411-V432 HydrophobicContact CE-CG1 3.65Å; M411-M433 HydrophobicContact CB-CE 3.38Å; M411-M433 HydrophobicContact CE-CE 4.01Å; M411-M433 HydrophobicContact CE-CG 3.94Å; M411-M433 HydrophobicContact CG-CE 4.44Å; M411-M433 HydrophobicContact SD-CE 4.36Å
412	I	96.7	Very high	90.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-39.2	175.2	-66.5	165.8	0	0	0	111.4	I408 S409 G410 M415 F416 M433 C459 K462 L463	I408-I412 HydrophobicContact CG2-CD1 4.12Å; I408-I412 WeakPolarHBondContact O-CG1 3.38Å; I408-I412 PolarHBondContact O-N 2.96Å; S409-I412 PolarHBondContact O-N 3.19Å; G410-I412 VanDerWaalsContact C-N 3.32Å; G410-I412 PolarHBondContact O-N 3.01Å; I412-M415 PolarHBondContact O-N 2.96Å; I412-F416 HydrophobicContact CG2-CD1 4.46Å; I412-F416 HydrophobicContact CG2-CD2 4.14Å; I412-F416 HydrophobicContact CG2-CE1 3.91Å; I412-F416 HydrophobicContact CG2-CE2 3.56Å; I412-F416 HydrophobicContact CG2-CZ 3.44Å; I412-F416 VanDerWaalsContact CG2-CZ 3.44Å; I412-F416 WeakPolarHBondContact O-CD1 3.44Å; I412-F416 VanDerWaalsContact O-CG 3.3Å; I412-F416 WeakPolarHBondContact O-CG 3.49Å; I412-F416 PolarHBondContact O-N 2.87Å; I412-F416 VanDerWaalsContact O-N 3.13Å; I412-M433 HydrophobicContact CG1-CE 3.73Å; I412-M433 HydrophobicContact CG1-SD 4.41Å; I412-C459 HydrophobicContact CD1-CB 4.1Å; I412-K462 HydrophobicContact CB-CD 4.23Å; I412-K462 HydrophobicContact CD1-CB 4.48Å; I412-K462 HydrophobicContact CD1-CD 4.45Å; I412-K462 HydrophobicContact CG2-CB 4.49Å; I412-K462 HydrophobicContact CG2-CD 3.88Å; I412-K462 HydrophobicContact CG2-CG 3.86Å; I412-L463 HydrophobicContact CD1-CB 4.07Å; I412-L463 HydrophobicContact CG1-CD1 4.15Å
413	D	96.2	Very high	91.8	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-43.1	176.7	-73.4	-33.1	0	0	0	111.6	S409 G410 M411 F416 H417 K462	S409-D413 PolarHBondContact O-N 2.71Å; G410-D413 WeakPolarHBondContact O-CB 3.17Å; G410-D413 PolarHBondContact O-N 2.82Å; G410-D413 VanDerWaalsContact O-N 3.08Å; M411-D413 VanDerWaalsContact C-N 3.31Å; M411-D413 PolarHBondContact O-N 3.38Å; D413-F416 PolarHBondContact O-N 3.18Å; D413-H417 PolarHBondContact O-N 3.34Å; D413-H417 VanDerWaalsContact O-N 3.11Å; D413-H417 PolarHBondContact O-ND1 3.08Å; D413-K462 WeakPolarHBondContact OD1-CE 3.39Å; D413-K462 IonicContact OD1-NZ 2.97Å; D413-K462 PolarHBondContact OD1-NZ 3.15Å; D413-K462 IonicContact OD2-NZ 3.84Å; D413-K462 PolarHBondContact OD2-NZ 3.38Å
414	V	96.6	Very high	93	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-43.5	175.5	174.8	0	0	0	0	111.2	F370 R378 G410 M411 F416 H417 D418 T425 L429	F370-V414 HydrophobicContact CD1-CB 4.45Å; F370-V414 HydrophobicContact CD1-CG2 3.7Å; F370-V414 HydrophobicContact CE1-CG2 4.32Å; R378-V414 HydrophobicContact CB-CG1 4.36Å; R378-V414 HydrophobicContact CB-CG2 4.22Å; R378-V414 HydrophobicContact CG-CG2 3.83Å; G410-V414 PolarHBondContact O-N 3.29Å; M411-V414 PolarHBondContact O-N 2.91Å; V414-F416 PolarHBondContact O-N 3.28Å; V414-H417 CarbonylContact O-C 3.13Å; V414-H417 PolarHBondContact O-N 3.14Å; V414-H417 VanDerWaalsContact O-N 3.12Å; V414-D418 PolarHBondContact O-N 3.38Å; V414-T425 HydrophobicContact CG1-CG2 3.92Å; V414-L429 HydrophobicContact CB-CD1 4.02Å; V414-L429 HydrophobicContact CG1-CD1 3.88Å
415	M	97.4	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-37.9	174.8	-68.6	174.1	72	0	0	112.3	M411 I412 A426 L429 A430 M433 L463 V489 M493	M411-M415 VanDerWaalsContact O-CG 3.28Å; M411-M415 WeakPolarHBondContact O-CG 3.14Å; M411-M415 PolarHBondContact O-N 2.89Å; I412-M415 PolarHBondContact O-N 2.96Å; M415-A426 HydrophobicContact CB-CB 3.89Å; M415-A426 HydrophobicContact CG-CB 4.03Å; M415-L429 HydrophobicContact CG-CB 3.72Å; M415-L429 HydrophobicContact CG-CD1 3.75Å; M415-L429 HydrophobicContact CG-CG 4.41Å; M415-L429 HydrophobicContact SD-CB 4.08Å; M415-A430 HydrophobicContact CE-CB 4.01Å; M415-M433 HydrophobicContact SD-CE 3.68Å; M415-M433 HydrophobicContact SD-SD 4.05Å; M415-L463 HydrophobicContact CE-CD1 4.36Å; M415-L463 HydrophobicContact SD-CD1 4.47Å; M415-V489 HydrophobicContact CE-CG1 4.02Å; M415-M493 HydrophobicContact CE-SD 3.81Å
416	F	96.3	Very high	94.7	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-30	-178.9	-67.1	-7.9	0	0	0	113.1	I412 D413 V414 K462 P466 R482 L486 L490	I412-F416 HydrophobicContact CG2-CD1 4.46Å; I412-F416 HydrophobicContact CG2-CD2 4.14Å; I412-F416 HydrophobicContact CG2-CE1 3.91Å; I412-F416 HydrophobicContact CG2-CE2 3.56Å; I412-F416 HydrophobicContact CG2-CZ 3.44Å; I412-F416 VanDerWaalsContact CG2-CZ 3.44Å; I412-F416 WeakPolarHBondContact O-CD1 3.44Å; I412-F416 VanDerWaalsContact O-CG 3.3Å; I412-F416 WeakPolarHBondContact O-CG 3.49Å; I412-F416 PolarHBondContact O-N 2.87Å; I412-F416 VanDerWaalsContact O-N 3.13Å; D413-F416 PolarHBondContact O-N 3.18Å; V414-F416 PolarHBondContact O-N 3.28Å; F416-K462 HydrophobicContact CE2-CG 4.45Å; F416-K462 VanDerWaalsContact CZ-O 3.29Å; F416-K462 WeakPolarHBondContact CZ-O 3.34Å; F416-P466 HydrophobicContact CD1-CG 4.18Å; F416-P466 HydrophobicContact CE1-CG 3.62Å; F416-P466 HydrophobicContact CE2-CG 4.04Å; F416-P466 HydrophobicContact CZ-CG 3.53Å; F416-R482 PolarHBondContact O-NH1 3.34Å; F416-R482 PolarHBondContact O-NH2 2.9Å; F416-L486 HydrophobicContact CD1-CD1 4.04Å; F416-L486 HydrophobicContact CD1-CD2 4.25Å; F416-L490 HydrophobicContact CE1-CD1 4.31Å; F416-L490 HydrophobicContact CE1-CD2 4.31Å
417	H	94.3	Very high	95.1	Very high	121 Å²	121	35.3 Å²	35.3	56%	0.56	21%	0.207	S	C	*	.	H	α-helix	trans	-102.3	13.4	-177.9	-59.9	90.3	0	0	0	113.4	D413 V414 P419 R482	D413-H417 PolarHBondContact O-N 3.34Å; D413-H417 VanDerWaalsContact O-N 3.11Å; D413-H417 PolarHBondContact O-ND1 3.08Å; V414-H417 CarbonylContact O-C 3.13Å; V414-H417 PolarHBondContact O-N 3.14Å; V414-H417 VanDerWaalsContact O-N 3.12Å; H417-P419 WeakPolarHBondContact O-CD 3.12Å; H417-P419 VanDerWaalsContact O-N 3.12Å; H417-R482 VanDerWaalsContact C-NH2 3.33Å
418	D	95	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.			trans	-48.5	118.4	177	-165.3	-14.2	0	0	0	111	V414 D420 M423 G424 T425 A426 R482	V414-D418 PolarHBondContact O-N 3.38Å; D418-D420 PolarHBondContact O-N 3.02Å; D418-D420 PolarHBondContact OD1-N 2.97Å; D418-D420 VanDerWaalsContact OD1-N 3.1Å; D418-M423 HydrophobicContact CB-SD 4.24Å; D418-M423 VanDerWaalsContact OD2-CA 3.28Å; D418-M423 WeakPolarHBondContact OD2-CA 3.41Å; D418-G424 PolarHBondContact OD2-N 3.31Å; D418-T425 PolarHBondContact OD1-OG1 3.42Å; D418-T425 VanDerWaalsContact OD1-OG1 3.13Å; D418-T425 WeakPolarHBondContact OD2-CA 3.19Å; D418-T425 VanDerWaalsContact OD2-CB 3.24Å; D418-T425 WeakPolarHBondContact OD2-CB 3.38Å; D418-T425 PolarHBondContact OD2-N 3.06Å; D418-A426 HydrophobicContact CB-CB 4.32Å; D418-A426 PolarHBondContact OD2-N 3.29Å; D418-R482 PolarHBondContact O-NE 3.31Å; D418-R482 PolarHBondContact O-NH2 3.42Å
419	P	92	Very high	95.6	Very high	85 Å²	85	38.2 Å²	38.2	55%	0.552	22%	0.221	S	C	*	.	S	Bend	trans	-66.8	-25	-179.8	26.3	-34.5	0	0	0	111.8	H417 P421	H417-P419 WeakPolarHBondContact O-CD 3.12Å; H417-P419 VanDerWaalsContact O-N 3.12Å; P419-P421 WeakPolarHBondContact O-CD 3.25Å
420	D	95.2	Very high	95.8	Very high	57 Å²	57	36.3 Å²	36.3	31%	0.305	21%	0.207	S	C	.	.	S	Bend	trans	-76.3	119.9	177.9	177.6	13.7	0	0	0	111.2	D418 E422 M423 G424	D418-D420 PolarHBondContact O-N 3.02Å; D418-D420 PolarHBondContact OD1-N 2.97Å; D418-D420 VanDerWaalsContact OD1-N 3.1Å; D420-E422 PolarHBondContact O-N 3.42Å; D420-E422 PolarHBondContact OD1-N 2.95Å; D420-M423 PolarHBondContact O-N 3.45Å; D420-G424 PolarHBondContact OD2-N 3.32Å
421	P	94.9	Very high	95.8	Very high	61 Å²	61	38.2 Å²	38.2	40%	0.396	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.9	175.5	26.8	-35.5	0	0	0	114.1	P419 M423 Y481 N485	P419-P421 WeakPolarHBondContact O-CD 3.25Å; P421-M423 VanDerWaalsContact C-N 3.32Å; P421-Y481 HydrophobicContact CB-CD1 4.28Å; P421-Y481 HydrophobicContact CB-CE1 4.34Å; P421-N485 PolarHBondContact O-ND2 3.05Å
422	E	95.3	Very high	95.6	Very high	134 Å²	134	38.4 Å²	38.4	63%	0.626	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.7	175.5	-61.5	-173.6	172	0	0	113.3	D420	D420-E422 PolarHBondContact O-N 3.42Å; D420-E422 PolarHBondContact OD1-N 2.95Å
423	M	95.6	Very high	95.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.221	C	C	.	.			trans	64.7	36	174.2	-57.3	-71.6	130.9	0	0	113.5	D418 D420 P421 A426 S427 R482 N485 L486 V489	D418-M423 HydrophobicContact CB-SD 4.24Å; D418-M423 VanDerWaalsContact OD2-CA 3.28Å; D418-M423 WeakPolarHBondContact OD2-CA 3.41Å; D420-M423 PolarHBondContact O-N 3.45Å; P421-M423 VanDerWaalsContact C-N 3.32Å; M423-A426 HydrophobicContact CB-CB 4.11Å; M423-A426 PolarHBondContact O-N 3Å; M423-A426 HydrophobicContact SD-CB 4.3Å; M423-S427 VanDerWaalsContact O-CB 3.22Å; M423-S427 WeakPolarHBondContact O-CB 3.28Å; M423-S427 PolarHBondContact O-N 2.99Å; M423-S427 PolarHBondContact O-OG 2.92Å; M423-R482 HydrophobicContact CE-CB 4.39Å; M423-R482 HydrophobicContact CE-CG 3.27Å; M423-R482 WeakPolarHBondContact CE-O 3.38Å; M423-N485 HydrophobicContact CG-CB 3.59Å; M423-L486 HydrophobicContact CE-CB 4.28Å; M423-L486 HydrophobicContact SD-CB 3.82Å; M423-L486 HydrophobicContact SD-CD1 4.21Å; M423-V489 HydrophobicContact CB-CG2 4.05Å; M423-V489 HydrophobicContact CG-CG2 4.5Å
424	G	95	Very high	95.2	Very high	36 Å²	36	40.1 Å²	40.1	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-55.6	-53.3	179.4	0	0	0	0	0	113	D418 D420 A426 S427 Q428	D418-G424 PolarHBondContact OD2-N 3.31Å; D420-G424 PolarHBondContact OD2-N 3.32Å; G424-A426 VanDerWaalsContact C-N 3.35Å; G424-A426 PolarHBondContact O-N 3.45Å; G424-S427 PolarHBondContact O-N 3.42Å; G424-Q428 PolarHBondContact O-N 3.01Å; G424-Q428 VanDerWaalsContact O-N 3.08Å
425	T	96	Very high	94.8	Very high	31 Å²	31	42.7 Å²	42.7	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-44.3	178.5	-46	0	0	0	0	111.1	V382 V414 D418 S427 Q428 L429	V382-T425 HydrophobicContact CB-CG2 4.36Å; V382-T425 HydrophobicContact CG1-CG2 4.31Å; V382-T425 HydrophobicContact CG2-CG2 3.66Å; V414-T425 HydrophobicContact CG1-CG2 3.92Å; D418-T425 PolarHBondContact OD1-OG1 3.42Å; D418-T425 VanDerWaalsContact OD1-OG1 3.13Å; D418-T425 WeakPolarHBondContact OD2-CA 3.19Å; D418-T425 VanDerWaalsContact OD2-CB 3.24Å; D418-T425 WeakPolarHBondContact OD2-CB 3.38Å; D418-T425 PolarHBondContact OD2-N 3.06Å; T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact O-N 3.46Å; T425-Q428 PolarHBondContact O-N 3.28Å; T425-L429 HydrophobicContact CG2-CD1 4.49Å; T425-L429 WeakPolarHBondContact O-CG 3.5Å; T425-L429 PolarHBondContact O-N 3.06Å
426	A	97	Very high	94.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-34.4	-179.3	0	0	0	0	0	112.3	M415 D418 M423 G424 A430	M415-A426 HydrophobicContact CB-CB 3.89Å; M415-A426 HydrophobicContact CG-CB 4.03Å; D418-A426 HydrophobicContact CB-CB 4.32Å; D418-A426 PolarHBondContact OD2-N 3.29Å; M423-A426 HydrophobicContact CB-CB 4.11Å; M423-A426 PolarHBondContact O-N 3Å; M423-A426 HydrophobicContact SD-CB 4.3Å; G424-A426 VanDerWaalsContact C-N 3.35Å; G424-A426 PolarHBondContact O-N 3.45Å; A426-A430 VanDerWaalsContact O-CB 3.28Å; A426-A430 WeakPolarHBondContact O-CB 3Å; A426-A430 PolarHBondContact O-N 3.34Å
427	S	96.7	Very high	93.9	Very high	49 Å²	49	41.6 Å²	41.6	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-68.3	-40.6	176.6	-62.6	0	0	0	0	111.6	M423 G424 T425 A430 S431	M423-S427 VanDerWaalsContact O-CB 3.22Å; M423-S427 WeakPolarHBondContact O-CB 3.28Å; M423-S427 PolarHBondContact O-N 2.99Å; M423-S427 PolarHBondContact O-OG 2.92Å; G424-S427 PolarHBondContact O-N 3.42Å; T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact O-N 3.46Å; S427-A430 PolarHBondContact O-N 2.73Å; S427-S431 PolarHBondContact O-N 2.86Å
428	Q	96.2	Very high	93.6	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-48.1	173.6	-175.4	172.7	-6.1	0	0	111.1	V382 D383 S386 G424 T425 A430 S431 V432	V382-Q428 HydrophobicContact CG1-CB 4.1Å; V382-Q428 HydrophobicContact CG1-CG 3.71Å; D383-Q428 PolarHBondContact OD1-NE2 3.3Å; S386-Q428 VanDerWaalsContact OG-CG 3.26Å; S386-Q428 WeakPolarHBondContact OG-CG 3.43Å; S386-Q428 PolarHBondContact OG-NE2 3.01Å; G424-Q428 PolarHBondContact O-N 3.01Å; G424-Q428 VanDerWaalsContact O-N 3.08Å; T425-Q428 PolarHBondContact O-N 3.28Å; Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 3.2Å; Q428-S431 WeakPolarHBondContact O-CA 3.34Å; Q428-S431 VanDerWaalsContact O-CB 3.24Å; Q428-S431 WeakPolarHBondContact O-CB 3.17Å; Q428-S431 PolarHBondContact O-N 2.98Å; Q428-V432 WeakPolarHBondContact O-CG2 3.29Å; Q428-V432 PolarHBondContact O-N 2.83Å
429	L	97.3	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-37	174.8	-76.6	177.6	0	0	0	112.9	F370 V382 V385 M411 V414 M415 T425 S431 V432 M433	F370-L429 HydrophobicContact CE1-CD2 4.37Å; F370-L429 HydrophobicContact CZ-CD2 4.15Å; V382-L429 HydrophobicContact CG1-CD2 4.28Å; V382-L429 HydrophobicContact CG1-CG 4.16Å; V382-L429 HydrophobicContact CG2-CD1 3.89Å; V382-L429 HydrophobicContact CG2-CD2 3.84Å; V382-L429 HydrophobicContact CG2-CG 3.81Å; V385-L429 HydrophobicContact CG1-CD2 4.17Å; M411-L429 HydrophobicContact CB-CD1 4.33Å; M411-L429 HydrophobicContact CB-CD2 4.12Å; M411-L429 HydrophobicContact CE-CD2 3.6Å; M411-L429 HydrophobicContact CG-CD2 3.93Å; V414-L429 HydrophobicContact CB-CD1 4.02Å; V414-L429 HydrophobicContact CG1-CD1 3.88Å; M415-L429 HydrophobicContact CG-CB 3.72Å; M415-L429 HydrophobicContact CG-CD1 3.75Å; M415-L429 HydrophobicContact CG-CG 4.41Å; M415-L429 HydrophobicContact SD-CB 4.08Å; T425-L429 HydrophobicContact CG2-CD1 4.49Å; T425-L429 WeakPolarHBondContact O-CG 3.5Å; T425-L429 PolarHBondContact O-N 3.06Å; L429-S431 VanDerWaalsContact C-N 3.28Å; L429-S431 PolarHBondContact O-N 3.46Å; L429-V432 PolarHBondContact O-N 2.92Å; L429-M433 WeakPolarHBondContact O-CB 3.47Å; L429-M433 WeakPolarHBondContact O-CG 3.5Å; L429-M433 PolarHBondContact O-N 3.42Å
430	A	96.8	Very high	92.6	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-32.7	173.5	0	0	0	0	0	112.1	M415 A426 S427 Q428 R434 V489 M493	M415-A430 HydrophobicContact CE-CB 4.01Å; A426-A430 VanDerWaalsContact O-CB 3.28Å; A426-A430 WeakPolarHBondContact O-CB 3Å; A426-A430 PolarHBondContact O-N 3.34Å; S427-A430 PolarHBondContact O-N 2.73Å; Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 3.2Å; A430-R434 WeakPolarHBondContact O-CB 3.49Å; A430-R434 VanDerWaalsContact O-CG 3.31Å; A430-R434 WeakPolarHBondContact O-CG 3.48Å; A430-R434 PolarHBondContact O-N 3.25Å; A430-R434 PolarHBondContact O-NE 3.24Å; A430-V489 HydrophobicContact CB-CG1 3.65Å; A430-M493 HydrophobicContact CB-CG 3.86Å; A430-M493 HydrophobicContact CB-SD 3.74Å
431	S	94.8	Very high	91.6	Very high	52 Å²	52	41.6 Å²	41.6	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-66.1	-47.9	172.3	-160.1	0	0	0	0	111.5	S427 Q428 L429 M433 R434 M435	S427-S431 PolarHBondContact O-N 2.86Å; Q428-S431 WeakPolarHBondContact O-CA 3.34Å; Q428-S431 VanDerWaalsContact O-CB 3.24Å; Q428-S431 WeakPolarHBondContact O-CB 3.17Å; Q428-S431 PolarHBondContact O-N 2.98Å; L429-S431 VanDerWaalsContact C-N 3.28Å; L429-S431 PolarHBondContact O-N 3.46Å; S431-M433 VanDerWaalsContact C-N 3.34Å; S431-M433 PolarHBondContact O-N 3.45Å; S431-R434 WeakPolarHBondContact O-CB 3.48Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 VanDerWaalsContact O-N 3.15Å; S431-M435 PolarHBondContact O-N 3.33Å
432	V	92.7	Very high	90.7	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-47.7	175.1	174.5	0	0	0	0	110.9	V385 S386 T389 M411 Q428 L429 R434 M435 L436	V385-V432 HydrophobicContact CG1-CG1 4.36Å; V385-V432 HydrophobicContact CG1-CG2 4.43Å; V385-V432 HydrophobicContact CG2-CG1 4.06Å; S386-V432 VanDerWaalsContact OG-CG2 3.3Å; S386-V432 WeakPolarHBondContact OG-CG2 3.28Å; T389-V432 HydrophobicContact CG2-CG1 3.87Å; M411-V432 HydrophobicContact CE-CB 4.16Å; M411-V432 HydrophobicContact CE-CG1 3.65Å; Q428-V432 WeakPolarHBondContact O-CG2 3.29Å; Q428-V432 PolarHBondContact O-N 2.83Å; L429-V432 PolarHBondContact O-N 2.92Å; V432-R434 VanDerWaalsContact C-N 3.33Å; V432-R434 PolarHBondContact O-N 3.3Å; V432-M435 PolarHBondContact O-N 3.5Å; V432-L436 HydrophobicContact CG1-CD1 4.06Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CG 3.26Å; V432-L436 PolarHBondContact O-N 3.1Å
433	M	92	Very high	89.3	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-37.3	177.5	-73	-172	-166.6	0	0	112.4	I408 M411 I412 M415 L429 S431 L436 L437 M493	I408-M433 HydrophobicContact CG2-CE 4.3Å; M411-M433 HydrophobicContact CB-CE 3.38Å; M411-M433 HydrophobicContact CE-CE 4.01Å; M411-M433 HydrophobicContact CE-CG 3.94Å; M411-M433 HydrophobicContact CG-CE 4.44Å; M411-M433 HydrophobicContact SD-CE 4.36Å; I412-M433 HydrophobicContact CG1-CE 3.73Å; I412-M433 HydrophobicContact CG1-SD 4.41Å; M415-M433 HydrophobicContact SD-CE 3.68Å; M415-M433 HydrophobicContact SD-SD 4.05Å; L429-M433 WeakPolarHBondContact O-CB 3.47Å; L429-M433 WeakPolarHBondContact O-CG 3.5Å; L429-M433 PolarHBondContact O-N 3.42Å; S431-M433 VanDerWaalsContact C-N 3.34Å; S431-M433 PolarHBondContact O-N 3.45Å; M433-L436 PolarHBondContact O-N 3.12Å; M433-L437 HydrophobicContact CB-CD1 4.49Å; M433-L437 WeakPolarHBondContact O-CB 3.29Å; M433-L437 WeakPolarHBondContact O-CD1 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.48Å; M433-L437 PolarHBondContact O-N 2.99Å; M433-M493 HydrophobicContact CB-CE 3.56Å; M433-M493 HydrophobicContact CG-CE 4.25Å; M433-M493 HydrophobicContact SD-CE 3.69Å; M433-M493 HydrophobicContact SD-SD 4.5Å
434	R	92.2	Very high	87.7	Confident	98 Å²	98	42.1 Å²	42.1	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-45.4	175	-82.1	-179.8	-75.1	133.2	-6.9	111.4	A430 S431 V432 L437 D438 F496	A430-R434 WeakPolarHBondContact O-CB 3.49Å; A430-R434 VanDerWaalsContact O-CG 3.31Å; A430-R434 WeakPolarHBondContact O-CG 3.48Å; A430-R434 PolarHBondContact O-N 3.25Å; A430-R434 PolarHBondContact O-NE 3.24Å; S431-R434 WeakPolarHBondContact O-CB 3.48Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 VanDerWaalsContact O-N 3.15Å; V432-R434 VanDerWaalsContact C-N 3.33Å; V432-R434 PolarHBondContact O-N 3.3Å; R434-L437 CarbonylContact O-C 3.55Å; R434-L437 PolarHBondContact O-N 3.4Å; R434-L437 VanDerWaalsContact O-N 3.08Å; R434-D438 PolarHBondContact O-N 3.26Å; R434-F496 HydrophobicContact CG-CB 4.4Å; R434-F496 HydrophobicContact CG-CD1 4.02Å; R434-F496 HydrophobicContact CG-CD2 4.36Å; R434-F496 HydrophobicContact CG-CE1 4.39Å; R434-F496 HydrophobicContact CG-CG 3.99Å
435	M	88.6	Confident	86	Confident	62 Å²	62	41.2 Å²	41.2	31%	0.305	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-43.6	176.4	-171.7	177.1	-75.3	0	0	112	T389 S431 V432 L437 D438 S441	T389-M435 VanDerWaalsContact C-SD 3.53Å; S431-M435 PolarHBondContact O-N 3.33Å; V432-M435 PolarHBondContact O-N 3.5Å; M435-L437 PolarHBondContact O-N 2.88Å; M435-D438 PolarHBondContact O-N 3Å; M435-S441 VanDerWaalsContact O-CB 3.3Å; M435-S441 WeakPolarHBondContact O-CB 3.35Å; M435-S441 PolarHBondContact O-OG 3.18Å
436	L	87	Confident	84.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-23	174.3	-68.4	175.5	0	0	0	113.4	T389 L395 F398 F399 L402 V432 M433 M442	T389-L436 HydrophobicContact CG2-CD1 4.46Å; T389-L436 HydrophobicContact CG2-CD2 3.92Å; T389-L436 HydrophobicContact CG2-CG 4.25Å; L395-L436 HydrophobicContact CD2-CD2 3.94Å; F398-L436 HydrophobicContact CD1-CD2 4.08Å; F398-L436 HydrophobicContact CE1-CD1 4.4Å; F398-L436 HydrophobicContact CE1-CD2 4.24Å; F399-L436 HydrophobicContact CE1-CB 4.28Å; F399-L436 HydrophobicContact CE1-CD2 3.93Å; F399-L436 VanDerWaalsContact CE1-O 3.3Å; F399-L436 WeakPolarHBondContact CE1-O 3.35Å; F399-L436 HydrophobicContact CZ-CD2 4.02Å; F399-L436 WeakPolarHBondContact CZ-O 3.33Å; L402-L436 HydrophobicContact CD1-CD1 4.43Å; L402-L436 HydrophobicContact CD1-CD2 4.4Å; V432-L436 HydrophobicContact CG1-CD1 4.06Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CG 3.26Å; V432-L436 PolarHBondContact O-N 3.1Å; M433-L436 PolarHBondContact O-N 3.12Å; L436-M442 WeakPolarHBondContact O-CE 3.44Å
437	L	88.6	Confident	82.8	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-98.3	-6.5	-178.5	-71.1	170.1	0	0	0	112.9	M433 R434 M435 P439 M442 F451 L452 F455 F496 H501	M433-L437 HydrophobicContact CB-CD1 4.49Å; M433-L437 WeakPolarHBondContact O-CB 3.29Å; M433-L437 WeakPolarHBondContact O-CD1 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.48Å; M433-L437 PolarHBondContact O-N 2.99Å; R434-L437 CarbonylContact O-C 3.55Å; R434-L437 PolarHBondContact O-N 3.4Å; R434-L437 VanDerWaalsContact O-N 3.08Å; M435-L437 PolarHBondContact O-N 2.88Å; L437-P439 WeakPolarHBondContact O-CD 3.46Å; L437-M442 VanDerWaalsContact CA-CE 3.42Å; L437-M442 HydrophobicContact CB-CE 4.49Å; L437-M442 HydrophobicContact CD2-CE 4.27Å; L437-M442 WeakPolarHBondContact O-CE 3.47Å; L437-F451 HydrophobicContact CD2-CE1 4.03Å; L437-L452 HydrophobicContact CD2-CD2 4.25Å; L437-F455 HydrophobicContact CD1-CD1 4.48Å; L437-F455 HydrophobicContact CD1-CE1 3.73Å; L437-F455 HydrophobicContact CD1-CE2 4.03Å; L437-F455 HydrophobicContact CD1-CZ 3.5Å; L437-F455 VanDerWaalsContact CD1-CZ 3.5Å; L437-F455 HydrophobicContact CD2-CD1 3.75Å; L437-F455 HydrophobicContact CD2-CD2 4.05Å; L437-F455 HydrophobicContact CD2-CE1 3.84Å; L437-F455 HydrophobicContact CD2-CE2 4.18Å; L437-F455 HydrophobicContact CD2-CG 3.85Å; L437-F455 HydrophobicContact CD2-CZ 4.09Å; L437-F455 HydrophobicContact CG-CE1 4.47Å; L437-F455 HydrophobicContact CG-CZ 4.39Å; L437-F496 HydrophobicContact CB-CE1 3.91Å; L437-H501 PolarHBondContact O-NE2 3.48Å
438	D	87.8	Confident	81.7	Confident	41 Å²	41	50.4 Å²	50.4	22%	0.219	26%	0.261	C	S	.	.			trans	-68	122.7	-179.1	-162.7	-37.6	0	0	0	110.8	R434 M435 E440 S441 M442 F496	R434-D438 PolarHBondContact O-N 3.26Å; M435-D438 PolarHBondContact O-N 3Å; D438-E440 PolarHBondContact O-N 3.5Å; D438-E440 VanDerWaalsContact O-N 3.16Å; D438-E440 WeakPolarHBondContact OD1-CB 3.46Å; D438-E440 PolarHBondContact OD1-N 2.95Å; D438-S441 PolarHBondContact O-N 3.04Å; D438-S441 VanDerWaalsContact O-N 3.11Å; D438-M442 WeakPolarHBondContact O-CG 3.49Å; D438-M442 PolarHBondContact O-N 3.06Å; D438-F496 HydrophobicContact CB-CZ 4.24Å
439	P	83.3	Confident	80.9	Confident	52 Å²	52	53.5 Å²	53.5	34%	0.338	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.7	173.8	-27.3	35.8	0	0	0	113.8	L437 M442 I443 H500	L437-P439 WeakPolarHBondContact O-CD 3.46Å; P439-M442 PolarHBondContact O-N 3.31Å; P439-I443 VanDerWaalsContact O-CG1 3.31Å; P439-I443 WeakPolarHBondContact O-CG1 3.4Å; P439-I443 PolarHBondContact O-N 2.82Å; P439-H500 HydrophobicContact CG-CB 4.06Å
440	E	81.2	Confident	80.1	Confident	153 Å²	153	57.1 Å²	57.1	72%	0.715	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-44	177.5	-65.2	-171.6	177	0	0	111.6	D438 M442 I443	D438-E440 PolarHBondContact O-N 3.5Å; D438-E440 VanDerWaalsContact O-N 3.16Å; D438-E440 WeakPolarHBondContact OD1-CB 3.46Å; D438-E440 PolarHBondContact OD1-N 2.95Å; E440-M442 VanDerWaalsContact C-N 3.26Å; E440-M442 PolarHBondContact O-N 3.44Å; E440-I443 WeakPolarHBondContact O-CG1 3.38Å; E440-I443 PolarHBondContact O-N 2.84Å
441	S	76.1	Confident	79.5	Confident	16 Å²	16	57.2 Å²	57.2	11%	0.112	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.3	175.1	-61.8	0	0	0	0	112.9	M435 D438	M435-S441 VanDerWaalsContact O-CB 3.3Å; M435-S441 WeakPolarHBondContact O-CB 3.35Å; M435-S441 PolarHBondContact O-OG 3.18Å; D438-S441 PolarHBondContact O-N 3.04Å; D438-S441 VanDerWaalsContact O-N 3.11Å
442	M	74.5	Confident	79.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.3	177	-69.4	-171.9	-164.1	0	0	114.2	F399 L436 L437 D438 P439 E440 T444 S445 P448 F451 L452	F399-M442 HydrophobicContact CZ-CG 4.28Å; L436-M442 WeakPolarHBondContact O-CE 3.44Å; L437-M442 VanDerWaalsContact CA-CE 3.42Å; L437-M442 HydrophobicContact CB-CE 4.49Å; L437-M442 HydrophobicContact CD2-CE 4.27Å; L437-M442 WeakPolarHBondContact O-CE 3.47Å; D438-M442 WeakPolarHBondContact O-CG 3.49Å; D438-M442 PolarHBondContact O-N 3.06Å; P439-M442 PolarHBondContact O-N 3.31Å; E440-M442 VanDerWaalsContact C-N 3.26Å; E440-M442 PolarHBondContact O-N 3.44Å; M442-T444 PolarHBondContact O-N 3.31Å; M442-T444 VanDerWaalsContact O-N 3.13Å; M442-S445 VanDerWaalsContact O-CB 3.31Å; M442-S445 WeakPolarHBondContact O-CB 3.47Å; M442-S445 PolarHBondContact O-N 3.28Å; M442-S445 PolarHBondContact O-OG 3.37Å; M442-P448 HydrophobicContact CB-CB 3.91Å; M442-P448 HydrophobicContact CB-CG 3.99Å; M442-P448 WeakPolarHBondContact O-CG 3.44Å; M442-P448 HydrophobicContact SD-CB 3.95Å; M442-F451 HydrophobicContact CE-CD1 3.61Å; M442-F451 HydrophobicContact CE-CE1 3.83Å; M442-F451 HydrophobicContact SD-CD1 4.2Å; M442-L452 HydrophobicContact CE-CD2 3.82Å; M442-L452 HydrophobicContact CE-CG 4.15Å; M442-L452 HydrophobicContact SD-CD1 4.44Å; M442-L452 HydrophobicContact SD-CD2 4.4Å; M442-L452 HydrophobicContact SD-CG 4.11Å
443	I	66.1	Low	79	Confident	133 Å²	133	57.9 Å²	57.9	68%	0.682	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.1	-173.5	-63.3	176.1	0	0	0	112.2	P439 E440 S445	P439-I443 VanDerWaalsContact O-CG1 3.31Å; P439-I443 WeakPolarHBondContact O-CG1 3.4Å; P439-I443 PolarHBondContact O-N 2.82Å; E440-I443 WeakPolarHBondContact O-CG1 3.38Å; E440-I443 PolarHBondContact O-N 2.84Å; I443-S445 VanDerWaalsContact C-N 3.29Å; I443-S445 PolarHBondContact O-N 3.41Å
444	T	62.1	Low	78.8	Confident	73 Å²	73	59 Å²	59	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.8	178.2	63.4	0	0	0	0	113	D396 M442	D396-T444 WeakPolarHBondContact OD1-CB 3.48Å; D396-T444 PolarHBondContact OD1-OG1 3.37Å; M442-T444 PolarHBondContact O-N 3.31Å; M442-T444 VanDerWaalsContact O-N 3.13Å
445	S	58.8	Low	78.8	Confident	17 Å²	17	54.5 Å²	54.5	12%	0.119	28%	0.279	C	S	.	.	S	Bend	trans	-80.7	149.1	-174.2	77.4	0	0	0	0	113.9	M442 I443 S447	M442-S445 VanDerWaalsContact O-CB 3.31Å; M442-S445 WeakPolarHBondContact O-CB 3.47Å; M442-S445 PolarHBondContact O-N 3.28Å; M442-S445 PolarHBondContact O-OG 3.37Å; I443-S445 VanDerWaalsContact C-N 3.29Å; I443-S445 PolarHBondContact O-N 3.41Å; S445-S447 PolarHBondContact O-N 3.41Å
446	F	58.4	Low	79	Confident	198 Å²	198	52.4 Å²	52.4	87%	0.868	27%	0.268	S	S	*	.	S	Bend	trans	-60.6	-19.8	-175.3	-173.5	-103.2	0	0	0	114.8
447	S	68.2	Low	79.3	Confident	27 Å²	27	59.7 Å²	59.7	19%	0.189	30%	0.299	C	S	.	.			trans	-170.9	94.9	173	179.5	0	0	0	0	111.2	S445 Y449 D450 F451	S445-S447 PolarHBondContact O-N 3.41Å; S447-Y449 PolarHBondContact O-N 3.47Å; S447-D450 WeakPolarHBondContact CB-OD2 3.16Å; S447-D450 PolarHBondContact O-N 3.1Å; S447-D450 PolarHBondContact OG-N 3.2Å; S447-D450 PolarHBondContact OG-OD2 3.04Å; S447-F451 PolarHBondContact O-N 3.15Å
448	P	73.3	Confident	79.4	Confident	49 Å²	49	66 Å²	66	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-54.5	-33.5	173.6	-25.9	33.3	0	0	0	112.7	M442 L452	M442-P448 HydrophobicContact CB-CB 3.91Å; M442-P448 HydrophobicContact CB-CG 3.99Å; M442-P448 WeakPolarHBondContact O-CG 3.44Å; M442-P448 HydrophobicContact SD-CB 3.95Å; P448-L452 WeakPolarHBondContact O-CG 3.48Å; P448-L452 PolarHBondContact O-N 3.36Å; P448-L452 VanDerWaalsContact O-N 3.09Å
449	Y	80.2	Confident	79.7	Confident	132 Å²	132	64.2 Å²	64.2	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-46.5	-179.3	179.5	-91	0	0	0	112.9	S447 T453 Y503	S447-Y449 PolarHBondContact O-N 3.47Å; Y449-T453 WeakPolarHBondContact O-CB 3.35Å; Y449-T453 PolarHBondContact O-N 3.13Å; Y449-T453 PolarHBondContact O-OG1 3.15Å; Y449-Y503 WeakPolarHBondContact CD2-OH 3.41Å; Y449-Y503 HydrophobicContact CE2-CE2 4.39Å; Y449-Y503 WeakPolarHBondContact CE2-OH 3.28Å
450	D	80.6	Confident	80.3	Confident	77 Å²	77	61.8 Å²	61.8	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-69.5	-38.4	-176.2	-67.3	-38.9	0	0	0	111.4	S447 T453 F454	S447-D450 WeakPolarHBondContact CB-OD2 3.16Å; S447-D450 PolarHBondContact O-N 3.1Å; S447-D450 PolarHBondContact OG-N 3.2Å; S447-D450 PolarHBondContact OG-OD2 3.04Å; D450-T453 PolarHBondContact O-N 3.45Å; D450-F454 WeakPolarHBondContact O-CB 3.31Å; D450-F454 PolarHBondContact O-N 3.01Å
451	F	84	Confident	81	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-47.5	176.3	-179.8	-108.4	0	0	0	112	F399 L402 I408 L437 M442 S447 T453 F454 F455	F399-F451 HydrophobicContact CD1-CD1 4.46Å; F399-F451 HydrophobicContact CD1-CD2 4.49Å; F399-F451 HydrophobicContact CD1-CE1 4.37Å; F399-F451 HydrophobicContact CD1-CE2 4.41Å; F399-F451 HydrophobicContact CD1-CZ 4.35Å; F399-F451 HydrophobicContact CE1-CD1 4.31Å; F399-F451 AromaticContact CE1-CE1 3.98Å; F399-F451 HydrophobicContact CE1-CE1 3.98Å; F399-F451 HydrophobicContact CE1-CZ 4.19Å; L402-F451 HydrophobicContact CB-CE2 4.07Å; L402-F451 HydrophobicContact CD1-CE2 4.24Å; L402-F451 HydrophobicContact CD1-CZ 4.46Å; I408-F451 HydrophobicContact CD1-CE2 3.87Å; I408-F451 HydrophobicContact CD1-CZ 3.74Å; L437-F451 HydrophobicContact CD2-CE1 4.03Å; M442-F451 HydrophobicContact CE-CD1 3.61Å; M442-F451 HydrophobicContact CE-CE1 3.83Å; M442-F451 HydrophobicContact SD-CD1 4.2Å; S447-F451 PolarHBondContact O-N 3.15Å; F451-T453 VanDerWaalsContact C-N 3.32Å; F451-T453 PolarHBondContact O-N 2.87Å; F451-F454 HydrophobicContact CD2-CD1 4.39Å; F451-F454 HydrophobicContact CE2-CD1 4.43Å; F451-F454 WeakPolarHBondContact O-CB 3.44Å; F451-F454 PolarHBondContact O-N 3.41Å; F451-F455 WeakPolarHBondContact O-CB 3.4Å; F451-F455 PolarHBondContact O-N 3.38Å
452	L	88.6	Confident	82	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-42.2	175.6	-73.8	175.8	0	0	0	111.5	L437 M442 P448 F454 F455 Y456	L437-L452 HydrophobicContact CD2-CD2 4.25Å; M442-L452 HydrophobicContact CE-CD2 3.82Å; M442-L452 HydrophobicContact CE-CG 4.15Å; M442-L452 HydrophobicContact SD-CD1 4.44Å; M442-L452 HydrophobicContact SD-CD2 4.4Å; M442-L452 HydrophobicContact SD-CG 4.11Å; P448-L452 WeakPolarHBondContact O-CG 3.48Å; P448-L452 PolarHBondContact O-N 3.36Å; P448-L452 VanDerWaalsContact O-N 3.09Å; L452-F454 VanDerWaalsContact C-N 3.34Å; L452-F454 PolarHBondContact O-N 3.29Å; L452-F455 PolarHBondContact O-N 3.13Å; L452-Y456 HydrophobicContact CD2-CE2 4.24Å; L452-Y456 WeakPolarHBondContact O-CD2 3.48Å; L452-Y456 PolarHBondContact O-N 3.42Å
453	T	88.6	Confident	83.1	Confident	53 Å²	53	57.9 Å²	57.9	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-46	175.9	-64.5	0	0	0	0	111.4	Y449 D450 F451 K457	Y449-T453 WeakPolarHBondContact O-CB 3.35Å; Y449-T453 PolarHBondContact O-N 3.13Å; Y449-T453 PolarHBondContact O-OG1 3.15Å; D450-T453 PolarHBondContact O-N 3.45Å; F451-T453 VanDerWaalsContact C-N 3.32Å; F451-T453 PolarHBondContact O-N 2.87Å; T453-K457 WeakPolarHBondContact O-CB 3.38Å; T453-K457 PolarHBondContact O-N 3.28Å; T453-K457 VanDerWaalsContact O-N 3.1Å
454	F	87.7	Confident	84.6	Confident	28 Å²	28	51.7 Å²	51.7	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-51.5	173.6	162.2	-101.6	0	0	0	111.6	I408 D450 F451 L452 Y456 K457 K458	I408-F454 HydrophobicContact CD1-CE1 4.43Å; D450-F454 WeakPolarHBondContact O-CB 3.31Å; D450-F454 PolarHBondContact O-N 3.01Å; F451-F454 HydrophobicContact CD2-CD1 4.39Å; F451-F454 HydrophobicContact CE2-CD1 4.43Å; F451-F454 WeakPolarHBondContact O-CB 3.44Å; F451-F454 PolarHBondContact O-N 3.41Å; L452-F454 VanDerWaalsContact C-N 3.34Å; L452-F454 PolarHBondContact O-N 3.29Å; F454-Y456 PolarHBondContact O-N 3.07Å; F454-K457 PolarHBondContact O-N 3.28Å; F454-K458 HydrophobicContact CD2-CB 4.29Å; F454-K458 HydrophobicContact CD2-CG 3.99Å; F454-K458 HydrophobicContact CE2-CB 4.03Å; F454-K458 HydrophobicContact CE2-CG 3.97Å; F454-K458 WeakPolarHBondContact O-CB 3.33Å; F454-K458 PolarHBondContact O-N 3.45Å
455	F	91.1	Very high	86.2	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.009	25%	0.247	C	C	.	.	I	π-helix	trans	-59.2	-49.2	-176.7	179.9	-100.3	0	0	0	111.9	I408 L437 F451 L452 K457 K458 C459 M460 L463	I408-F455 HydrophobicContact CD1-CD2 4.33Å; I408-F455 HydrophobicContact CG2-CD2 4.26Å; I408-F455 HydrophobicContact CG2-CE2 4Å; L437-F455 HydrophobicContact CD1-CD1 4.48Å; L437-F455 HydrophobicContact CD1-CE1 3.73Å; L437-F455 HydrophobicContact CD1-CE2 4.03Å; L437-F455 HydrophobicContact CD1-CZ 3.5Å; L437-F455 VanDerWaalsContact CD1-CZ 3.5Å; L437-F455 HydrophobicContact CD2-CD1 3.75Å; L437-F455 HydrophobicContact CD2-CD2 4.05Å; L437-F455 HydrophobicContact CD2-CE1 3.84Å; L437-F455 HydrophobicContact CD2-CE2 4.18Å; L437-F455 HydrophobicContact CD2-CG 3.85Å; L437-F455 HydrophobicContact CD2-CZ 4.09Å; L437-F455 HydrophobicContact CG-CE1 4.47Å; L437-F455 HydrophobicContact CG-CZ 4.39Å; F451-F455 WeakPolarHBondContact O-CB 3.4Å; F451-F455 PolarHBondContact O-N 3.38Å; L452-F455 PolarHBondContact O-N 3.13Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.63Å; F455-K458 PolarHBondContact O-N 2.89Å; F455-C459 HydrophobicContact CD2-CB 3.48Å; F455-C459 VanDerWaalsContact CD2-CB 3.48Å; F455-C459 HydrophobicContact CE2-CB 3.66Å; F455-C459 HydrophobicContact CG-CB 4.19Å; F455-C459 HydrophobicContact CZ-CB 4.49Å; F455-C459 CarbonylContact O-C 3.59Å; F455-C459 WeakPolarHBondContact O-CA 3.49Å; F455-C459 WeakPolarHBondContact O-CB 3.49Å; F455-C459 PolarHBondContact O-N 3.36Å; F455-M460 HydrophobicContact CD1-CB 4.47Å; F455-M460 HydrophobicContact CD1-CE 4.36Å; F455-M460 HydrophobicContact CE1-CB 4.25Å; F455-M460 HydrophobicContact CE1-CE 3.49Å; F455-M460 VanDerWaalsContact CE1-CE 3.49Å; F455-M460 HydrophobicContact CE1-SD 4.29Å; F455-M460 HydrophobicContact CZ-CE 4.27Å; F455-M460 PolarHBondContact O-N 2.99Å; F455-L463 HydrophobicContact CZ-CD2 4.38Å
456	Y	94	Very high	88.1	Confident	18 Å²	18	50 Å²	50	7%	0.071	24%	0.243	C	C	.	.	I	π-helix	trans	-68.4	-28	179.1	-84.9	-82.8	0	0	0	113.6	L452 F454 M460 P461 C497 H501 H504 I505 F508	L452-Y456 HydrophobicContact CD2-CE2 4.24Å; L452-Y456 WeakPolarHBondContact O-CD2 3.48Å; L452-Y456 PolarHBondContact O-N 3.42Å; F454-Y456 PolarHBondContact O-N 3.07Å; Y456-M460 HydrophobicContact CD1-CB 4.06Å; Y456-M460 HydrophobicContact CD1-CE 4.29Å; Y456-M460 HydrophobicContact CD1-CG 3.97Å; Y456-M460 HydrophobicContact CE1-CB 4.5Å; Y456-M460 HydrophobicContact CE1-CE 3.54Å; Y456-M460 HydrophobicContact CE1-CG 4.03Å; Y456-P461 WeakPolarHBondContact O-CD 3.24Å; Y456-C497 WeakPolarHBondContact OH-CB 3.29Å; Y456-H501 HydrophobicContact CE2-CB 4.19Å; Y456-H501 AromaticContact CE2-ND1 3.51Å; Y456-H501 AromaticContact CZ-ND1 3.6Å; Y456-H501 WeakPolarHBondContact OH-CB 3.24Å; Y456-H501 PolarHBondContact OH-ND1 2.97Å; Y456-H504 HydrophobicContact CD1-CB 4.47Å; Y456-H504 HydrophobicContact CD2-CB 3.63Å; Y456-H504 HydrophobicContact CE1-CB 4.49Å; Y456-H504 HydrophobicContact CE2-CB 3.64Å; Y456-H504 HydrophobicContact CG-CB 4.07Å; Y456-I505 HydrophobicContact CE1-CB 4.14Å; Y456-I505 HydrophobicContact CE1-CD1 3.82Å; Y456-I505 WeakPolarHBondContact OH-CB 3.29Å; Y456-F508 HydrophobicContact CD1-CB 3.89Å; Y456-F508 HydrophobicContact CD1-CD2 4.12Å; Y456-F508 HydrophobicContact CD1-CG 4.01Å; Y456-F508 HydrophobicContact CE1-CB 4.13Å; Y456-F508 HydrophobicContact CE1-CG 4.35Å
457	K	91.9	Very high	89.9	Confident	156 Å²	156	40.6 Å²	40.6	68%	0.678	20%	0.202	S	C	*	.	I	π-helix	trans	-79.6	-37.2	177.8	-173.6	175.2	-177.1	177.8	0	112.7	T453 F454 F455	T453-K457 WeakPolarHBondContact O-CB 3.38Å; T453-K457 PolarHBondContact O-N 3.28Å; T453-K457 VanDerWaalsContact O-N 3.1Å; F454-K457 PolarHBondContact O-N 3.28Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.63Å
458	K	91	Very high	91.1	Very high	135 Å²	135	42.5 Å²	42.5	59%	0.587	21%	0.209	S	C	*	.	I	π-helix	trans	-114	-40.9	-168.5	-64.1	-65.4	-171.4	171	0	114.2	F454 F455	F454-K458 HydrophobicContact CD2-CB 4.29Å; F454-K458 HydrophobicContact CD2-CG 3.99Å; F454-K458 HydrophobicContact CE2-CB 4.03Å; F454-K458 HydrophobicContact CE2-CG 3.97Å; F454-K458 WeakPolarHBondContact O-CB 3.33Å; F454-K458 PolarHBondContact O-N 3.45Å; F455-K458 PolarHBondContact O-N 2.89Å
459	C	93.8	Very high	92.2	Very high	5 Å²	5	47 Å²	47	3%	0.034	22%	0.224	C	C	.	.	I	π-helix	trans	-96.8	-47.9	-170.9	-56.6	0	0	0	0	112.3	I408 I412 F455 P461 K462 L463	I408-C459 HydrophobicContact CG2-CB 3.87Å; I412-C459 HydrophobicContact CD1-CB 4.1Å; F455-C459 HydrophobicContact CD2-CB 3.48Å; F455-C459 VanDerWaalsContact CD2-CB 3.48Å; F455-C459 HydrophobicContact CE2-CB 3.66Å; F455-C459 HydrophobicContact CG-CB 4.19Å; F455-C459 HydrophobicContact CZ-CB 4.49Å; F455-C459 CarbonylContact O-C 3.59Å; F455-C459 WeakPolarHBondContact O-CA 3.49Å; F455-C459 WeakPolarHBondContact O-CB 3.49Å; F455-C459 PolarHBondContact O-N 3.36Å; C459-P461 VanDerWaalsContact C-CD 3.46Å; C459-K462 WeakPolarHBondContact O-CA 3.28Å; C459-K462 WeakPolarHBondContact O-CB 3.34Å; C459-K462 PolarHBondContact O-N 2.9Å; C459-L463 PolarHBondContact O-N 2.92Å
460	M	95.8	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-39.8	-177.4	-170.7	62.9	89.2	0	0	114.1	F455 Y456 K462 L463 C464 L494 C497 I505 F508	F455-M460 HydrophobicContact CD1-CB 4.47Å; F455-M460 HydrophobicContact CD1-CE 4.36Å; F455-M460 HydrophobicContact CE1-CB 4.25Å; F455-M460 HydrophobicContact CE1-CE 3.49Å; F455-M460 VanDerWaalsContact CE1-CE 3.49Å; F455-M460 HydrophobicContact CE1-SD 4.29Å; F455-M460 HydrophobicContact CZ-CE 4.27Å; F455-M460 PolarHBondContact O-N 2.99Å; Y456-M460 HydrophobicContact CD1-CB 4.06Å; Y456-M460 HydrophobicContact CD1-CE 4.29Å; Y456-M460 HydrophobicContact CD1-CG 3.97Å; Y456-M460 HydrophobicContact CE1-CB 4.5Å; Y456-M460 HydrophobicContact CE1-CE 3.54Å; Y456-M460 HydrophobicContact CE1-CG 4.03Å; M460-K462 VanDerWaalsContact C-N 3.28Å; M460-K462 PolarHBondContact O-N 3.47Å; M460-L463 PolarHBondContact O-N 3.15Å; M460-L463 HydrophobicContact SD-CD2 3.94Å; M460-C464 WeakPolarHBondContact O-CB 3.46Å; M460-C464 PolarHBondContact O-N 2.96Å; M460-C464 PolarHBondContact O-SG 3.34Å; M460-L494 HydrophobicContact CE-CD2 4.42Å; M460-L494 HydrophobicContact SD-CD2 4.09Å; M460-C497 HydrophobicContact CE-CB 4.22Å; M460-I505 HydrophobicContact CE-CD1 4.43Å; M460-F508 HydrophobicContact CB-CE1 4.45Å; M460-F508 HydrophobicContact CB-CE2 4Å; M460-F508 HydrophobicContact CB-CZ 3.99Å; M460-F508 HydrophobicContact CG-CD1 3.81Å; M460-F508 HydrophobicContact CG-CD2 4.15Å; M460-F508 HydrophobicContact CG-CE1 3.37Å; M460-F508 HydrophobicContact CG-CE2 3.74Å; M460-F508 HydrophobicContact CG-CG 4.19Å; M460-F508 HydrophobicContact CG-CZ 3.36Å; M460-F508 HydrophobicContact SD-CE1 4.41Å
461	P	96.5	Very high	93.8	Very high	34 Å²	34	38.2 Å²	38.2	22%	0.221	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-38.4	173.8	-22.2	31.6	0	0	0	113.4	Y456 C459 S465 F508	Y456-P461 WeakPolarHBondContact O-CD 3.24Å; C459-P461 VanDerWaalsContact C-CD 3.46Å; P461-S465 PolarHBondContact O-N 3.4Å; P461-F508 HydrophobicContact CG-CE2 4Å
462	K	96.6	Very high	94.2	Very high	51 Å²	51	39.5 Å²	39.5	22%	0.222	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-49.3	178	-170.4	-173.9	-175.9	-177.3	0	110.3	S409 I412 D413 F416 C459 M460 C464 S465	S409-K462 PolarHBondContact O-NZ 2.75Å; S409-K462 PolarHBondContact OG-NZ 3.38Å; I412-K462 HydrophobicContact CB-CD 4.23Å; I412-K462 HydrophobicContact CD1-CB 4.48Å; I412-K462 HydrophobicContact CD1-CD 4.45Å; I412-K462 HydrophobicContact CG2-CB 4.49Å; I412-K462 HydrophobicContact CG2-CD 3.88Å; I412-K462 HydrophobicContact CG2-CG 3.86Å; D413-K462 WeakPolarHBondContact OD1-CE 3.39Å; D413-K462 IonicContact OD1-NZ 2.97Å; D413-K462 PolarHBondContact OD1-NZ 3.15Å; D413-K462 IonicContact OD2-NZ 3.84Å; D413-K462 PolarHBondContact OD2-NZ 3.38Å; F416-K462 HydrophobicContact CE2-CG 4.45Å; F416-K462 VanDerWaalsContact CZ-O 3.29Å; F416-K462 WeakPolarHBondContact CZ-O 3.34Å; C459-K462 WeakPolarHBondContact O-CA 3.28Å; C459-K462 WeakPolarHBondContact O-CB 3.34Å; C459-K462 PolarHBondContact O-N 2.9Å; M460-K462 VanDerWaalsContact C-N 3.28Å; M460-K462 PolarHBondContact O-N 3.47Å; K462-C464 VanDerWaalsContact C-N 3.26Å; K462-C464 PolarHBondContact O-N 3.17Å; K462-S465 VanDerWaalsContact O-CB 3.22Å; K462-S465 WeakPolarHBondContact O-CB 3Å; K462-S465 PolarHBondContact O-N 3.47Å; K462-S465 PolarHBondContact O-OG 3.1Å
463	L	97.3	Very high	94.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-42.5	178	-174.7	66.8	0	0	0	111.8	I412 M415 F455 C459 M460 S465 P466 L490 M493	I412-L463 HydrophobicContact CD1-CB 4.07Å; I412-L463 HydrophobicContact CG1-CD1 4.15Å; M415-L463 HydrophobicContact CE-CD1 4.36Å; M415-L463 HydrophobicContact SD-CD1 4.47Å; F455-L463 HydrophobicContact CZ-CD2 4.38Å; C459-L463 PolarHBondContact O-N 2.92Å; M460-L463 PolarHBondContact O-N 3.15Å; M460-L463 HydrophobicContact SD-CD2 3.94Å; L463-S465 VanDerWaalsContact C-N 3.35Å; L463-P466 VanDerWaalsContact O-CD 3.29Å; L463-P466 WeakPolarHBondContact O-CD 3.43Å; L463-L490 HydrophobicContact CD1-CD2 3.41Å; L463-L490 VanDerWaalsContact CD1-CD2 3.41Å; L463-L490 HydrophobicContact CG-CD2 3.9Å; L463-M493 HydrophobicContact CD1-CE 4.46Å; L463-M493 HydrophobicContact CD1-SD 4.04Å; L463-M493 HydrophobicContact CD2-CE 3.72Å; L463-M493 HydrophobicContact CD2-SD 4.07Å
464	C	97.5	Very high	94.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.9	179.6	-66.1	0	0	0	0	114.5	M460 K462 P466 L467 F508	M460-C464 WeakPolarHBondContact O-CB 3.46Å; M460-C464 PolarHBondContact O-N 2.96Å; M460-C464 PolarHBondContact O-SG 3.34Å; K462-C464 VanDerWaalsContact C-N 3.26Å; K462-C464 PolarHBondContact O-N 3.17Å; C464-P466 VanDerWaalsContact C-CD 3.4Å; C464-P466 VanDerWaalsContact C-N 3.32Å; C464-L467 HydrophobicContact CB-CD1 4.17Å; C464-L467 WeakPolarHBondContact O-CB 3.3Å; C464-L467 PolarHBondContact O-N 3.43Å; C464-L467 VanDerWaalsContact O-N 3.1Å; C464-F508 HydrophobicContact CB-CE1 4.37Å; C464-F508 HydrophobicContact CB-CZ 4.48Å
465	S	97.3	Very high	94.9	Very high	49 Å²	49	48.1 Å²	48.1	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-33.8	-176	70.2	0	0	0	0	113.9	P461 K462 L463 L467 I468 K469	P461-S465 PolarHBondContact O-N 3.4Å; K462-S465 VanDerWaalsContact O-CB 3.22Å; K462-S465 WeakPolarHBondContact O-CB 3Å; K462-S465 PolarHBondContact O-N 3.47Å; K462-S465 PolarHBondContact O-OG 3.1Å; L463-S465 VanDerWaalsContact C-N 3.35Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.92Å; S465-I468 PolarHBondContact O-N 2.94Å; S465-K469 WeakPolarHBondContact O-CB 3.48Å; S465-K469 PolarHBondContact O-N 3.31Å
466	P	97.1	Very high	95.2	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-34.3	174.9	-24.8	38.7	0	0	0	113.4	F416 L463 C464 I468 K469 F470 L486 I487 L490	F416-P466 HydrophobicContact CD1-CG 4.18Å; F416-P466 HydrophobicContact CE1-CG 3.62Å; F416-P466 HydrophobicContact CE2-CG 4.04Å; F416-P466 HydrophobicContact CZ-CG 3.53Å; L463-P466 VanDerWaalsContact O-CD 3.29Å; L463-P466 WeakPolarHBondContact O-CD 3.43Å; C464-P466 VanDerWaalsContact C-CD 3.4Å; C464-P466 VanDerWaalsContact C-N 3.32Å; P466-I468 PolarHBondContact O-N 2.84Å; P466-K469 PolarHBondContact O-N 3.2Å; P466-F470 HydrophobicContact CB-CD2 4.19Å; P466-F470 HydrophobicContact CB-CE2 3.78Å; P466-F470 HydrophobicContact CB-CZ 4.21Å; P466-F470 WeakPolarHBondContact O-CB 3.28Å; P466-F470 WeakPolarHBondContact O-CD2 2.98Å; P466-F470 VanDerWaalsContact O-CG 3.29Å; P466-F470 WeakPolarHBondContact O-CG 3.49Å; P466-F470 PolarHBondContact O-N 3.22Å; P466-L486 HydrophobicContact CB-CD2 4.49Å; P466-L486 HydrophobicContact CG-CD2 4.43Å; P466-I487 HydrophobicContact CB-CD1 3.87Å; P466-L490 HydrophobicContact CB-CD1 3.91Å; P466-L490 HydrophobicContact CG-CD1 3.79Å
467	L	96.7	Very high	95.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-35.2	175.7	-60.3	167.8	0	0	0	111.2	C464 S465 T471 I487 L491 L494 L514 F521	C464-L467 HydrophobicContact CB-CD1 4.17Å; C464-L467 WeakPolarHBondContact O-CB 3.3Å; C464-L467 PolarHBondContact O-N 3.43Å; C464-L467 VanDerWaalsContact O-N 3.1Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.92Å; L467-T471 WeakPolarHBondContact O-CB 3.27Å; L467-T471 WeakPolarHBondContact O-CG2 3.31Å; L467-T471 PolarHBondContact O-OG1 3.38Å; L467-I487 HydrophobicContact CD2-CD1 3.79Å; L467-I487 HydrophobicContact CD2-CG2 3.81Å; L467-I487 HydrophobicContact CG-CD1 4.34Å; L467-L491 HydrophobicContact CD2-CD2 3.99Å; L467-L494 HydrophobicContact CD1-CD1 3.36Å; L467-L514 HydrophobicContact CD1-CD2 4.48Å; L467-F521 HydrophobicContact CD2-CE2 3.66Å; L467-F521 HydrophobicContact CD2-CZ 4.22Å
468	I	94.7	Very high	95.4	Very high	67 Å²	67	52.6 Å²	52.6	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-80.8	-41.4	177	-54.3	172.9	0	0	0	110.5	S465 P466 F470 T471 K517	S465-I468 PolarHBondContact O-N 2.94Å; P466-I468 PolarHBondContact O-N 2.84Å; I468-F470 VanDerWaalsContact C-N 3.33Å; I468-F470 PolarHBondContact O-N 2.85Å; I468-T471 PolarHBondContact O-N 2.83Å; I468-K517 HydrophobicContact CB-CD 4.45Å; I468-K517 HydrophobicContact CG1-CD 3.83Å
469	K	96.4	Very high	95.7	Very high	144 Å²	144	48 Å²	48	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-66.8	-34	-178	-176.2	178	177.9	175.9	0	112.7	S465 P466	S465-K469 WeakPolarHBondContact O-CB 3.48Å; S465-K469 PolarHBondContact O-N 3.31Å; P466-K469 PolarHBondContact O-N 3.2Å
470	F	97.1	Very high	95.8	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.053	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.3	-176.5	-55.8	-22.8	0	0	0	113.2	P466 I468 I477 R478 T483 I487 F521	P466-F470 HydrophobicContact CB-CD2 4.19Å; P466-F470 HydrophobicContact CB-CE2 3.78Å; P466-F470 HydrophobicContact CB-CZ 4.21Å; P466-F470 WeakPolarHBondContact O-CB 3.28Å; P466-F470 WeakPolarHBondContact O-CD2 2.98Å; P466-F470 VanDerWaalsContact O-CG 3.29Å; P466-F470 WeakPolarHBondContact O-CG 3.49Å; P466-F470 PolarHBondContact O-N 3.22Å; I468-F470 VanDerWaalsContact C-N 3.33Å; I468-F470 PolarHBondContact O-N 2.85Å; F470-I477 PolarHBondContact O-N 2.79Å; F470-R478 HydrophobicContact CB-CB 4.36Å; F470-R478 HydrophobicContact CD1-CB 3.85Å; F470-R478 HydrophobicContact CD1-CG 4.46Å; F470-R478 HydrophobicContact CE1-CB 4.48Å; F470-R478 HydrophobicContact CG-CB 4.18Å; F470-T483 HydrophobicContact CD2-CG2 4.38Å; F470-T483 HydrophobicContact CE1-CG2 4.35Å; F470-T483 HydrophobicContact CE2-CG2 3.68Å; F470-T483 HydrophobicContact CZ-CG2 3.68Å; F470-I487 HydrophobicContact CD2-CD1 3.64Å; F470-I487 HydrophobicContact CD2-CG1 3.79Å; F470-I487 HydrophobicContact CE2-CD1 4.09Å; F470-I487 HydrophobicContact CE2-CG1 4.2Å; F470-F521 HydrophobicContact CB-CE1 4.37Å; F470-F521 HydrophobicContact CB-CZ 4.32Å
471	T	96.4	Very high	95.9	Very high	13 Å²	13	55.1 Å²	55.1	8%	0.08	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.2	177.7	67.6	0	0	0	0	111	L467 I468 L476 V520 F521	L467-T471 WeakPolarHBondContact O-CB 3.27Å; L467-T471 WeakPolarHBondContact O-CG2 3.31Å; L467-T471 PolarHBondContact O-OG1 3.38Å; I468-T471 PolarHBondContact O-N 2.83Å; T471-L476 HydrophobicContact CG2-CD1 4.41Å; T471-V520 HydrophobicContact CG2-CB 3.8Å; T471-V520 HydrophobicContact CG2-CG1 3.81Å; T471-V520 HydrophobicContact CG2-CG2 4.46Å; T471-F521 HydrophobicContact CG2-CD2 4.34Å; T471-F521 HydrophobicContact CG2-CE1 4.16Å; T471-F521 HydrophobicContact CG2-CE2 3.68Å; T471-F521 HydrophobicContact CG2-CZ 3.58Å
472	G	93.2	Very high	95.8	Very high	33 Å²	33	57.1 Å²	57.1	34%	0.34	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	139.3	176.4	0	0	0	0	0	112.8	G474 K475	G472-G474 PolarHBondContact O-N 2.88Å; G472-K475 PolarHBondContact N-O 3.06Å; G472-K475 PolarHBondContact O-N 3.46Å
473	G	91.5	Very high	95.8	Very high	85 Å²	85	54.9 Å²	54.9	88%	0.876	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.5	-177.9	0	0	0	0	0	113.8	K475	G473-K475 VanDerWaalsContact C-N 3.26Å; G473-K475 PolarHBondContact O-N 3.44Å
474	G	92.6	Very high	95.8	Very high	45 Å²	45	54.7 Å²	54.7	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	13.3	-176.2	0	0	0	0	0	114.9	G472 Q523	G472-G474 PolarHBondContact O-N 2.88Å; G474-Q523 PolarHBondContact O-NE2 2.95Å
475	K	95.6	Very high	95.9	Very high	149 Å²	149	55.8 Å²	55.8	65%	0.648	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.9	-179.8	-64.6	-179.3	-179.4	178.6	0	111.5	G472 G473	G472-K475 PolarHBondContact N-O 3.06Å; G472-K475 PolarHBondContact O-N 3.46Å; G473-K475 VanDerWaalsContact C-N 3.26Å; G473-K475 PolarHBondContact O-N 3.44Å
476	L	95.9	Very high	95.9	Very high	37 Å²	37	53.7 Å²	53.7	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.5	175.1	-163.6	59.9	0	0	0	109.6	T471 D479 V520 F521	T471-L476 HydrophobicContact CG2-CD1 4.41Å; L476-D479 HydrophobicContact CD2-CB 3.41Å; L476-D479 VanDerWaalsContact CD2-CB 3.41Å; L476-D479 HydrophobicContact CG-CB 3.96Å; L476-V520 HydrophobicContact CB-CG1 4.34Å; L476-F521 HydrophobicContact CD1-CD1 3.48Å; L476-F521 VanDerWaalsContact CD1-CD1 3.48Å; L476-F521 HydrophobicContact CD1-CE1 3.47Å; L476-F521 VanDerWaalsContact CD1-CE1 3.47Å; L476-F521 HydrophobicContact CD1-CG 4.47Å; L476-F521 HydrophobicContact CD1-CZ 4.44Å
477	I	96.6	Very high	96	Very high	115 Å²	115	53.4 Å²	53.4	59%	0.59	29%	0.287	S	S	*	.	S	Bend	trans	-84	-36.4	-179.7	-62.2	174.1	0	0	0	110.5	F470	F470-I477 PolarHBondContact O-N 2.79Å
478	R	94.8	Very high	96.1	Very high	118 Å²	118	54.3 Å²	54.3	45%	0.445	29%	0.293	S	S	.	.			trans	-141.8	129.1	-177.2	-169.9	171.9	-177.9	179.3	4.8	110.7	F470 N480 T483	F470-R478 HydrophobicContact CB-CB 4.36Å; F470-R478 HydrophobicContact CD1-CB 3.85Å; F470-R478 HydrophobicContact CD1-CG 4.46Å; F470-R478 HydrophobicContact CE1-CB 4.48Å; F470-R478 HydrophobicContact CG-CB 4.18Å; R478-N480 PolarHBondContact NE-ND2 3.1Å; R478-T483 HydrophobicContact CG-CG2 4.06Å
479	D	95.9	Very high	96.2	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.203	28%	0.281	C	S	.	.			trans	-147.5	61.5	-174.9	-166.1	34.2	0	0	0	112	L476 S524 R525 H526	L476-D479 HydrophobicContact CD2-CB 3.41Å; L476-D479 VanDerWaalsContact CD2-CB 3.41Å; L476-D479 HydrophobicContact CG-CB 3.96Å; D479-S524 PolarHBondContact OD1-OG 2.87Å; D479-S524 WeakPolarHBondContact OD2-CA 3.42Å; D479-S524 PolarHBondContact OD2-OG 2.86Å; D479-R525 PolarHBondContact O-NE 2.79Å; D479-R525 VanDerWaalsContact O-NE 3.09Å; D479-R525 PolarHBondContact O-NH2 2.63Å; D479-R525 WeakPolarHBondContact OD2-CG 3.44Å; D479-R525 PolarHBondContact OD2-N 3.44Å; D479-H526 IonicContact OD1-CD2 3.47Å
480	N	96.2	Very high	96.3	Very high	51 Å²	51	45.2 Å²	45.2	27%	0.273	25%	0.252	S	S	.	.			trans	-100.6	162.6	170	73.2	37.2	0	0	0	110.9	R478 R482 T483 A484	R478-N480 PolarHBondContact NE-ND2 3.1Å; N480-R482 VanDerWaalsContact C-N 3.34Å; N480-R482 PolarHBondContact O-N 3.36Å; N480-R482 PolarHBondContact OD1-N 2.99Å; N480-T483 PolarHBondContact N-OG1 2.99Å; N480-T483 PolarHBondContact O-N 2.96Å; N480-T483 VanDerWaalsContact O-N 3.1Å; N480-T483 PolarHBondContact O-OG1 3.41Å; N480-T483 WeakPolarHBondContact OD1-CG2 3.48Å; N480-T483 PolarHBondContact OD1-N 3.48Å; N480-T483 PolarHBondContact OD1-OG1 3.46Å; N480-A484 WeakPolarHBondContact O-CB 3.35Å; N480-A484 PolarHBondContact O-N 2.85Å
481	Y	97.4	Very high	96.4	Very high	104 Å²	104	44.6 Å²	44.6	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-53.1	-49.2	-174.9	-179.8	-109.4	0	0	0	112.5	P421 T483 A484 N485 F528	P421-Y481 HydrophobicContact CB-CD1 4.28Å; P421-Y481 HydrophobicContact CB-CE1 4.34Å; Y481-T483 PolarHBondContact O-N 3.45Å; Y481-A484 WeakPolarHBondContact O-CB 3.37Å; Y481-A484 PolarHBondContact O-N 2.83Å; Y481-A484 VanDerWaalsContact O-N 3.13Å; Y481-N485 WeakPolarHBondContact CE1-ND2 3.47Å; Y481-N485 PolarHBondContact O-N 2.92Å; Y481-F528 HydrophobicContact CE2-CE1 4.34Å; Y481-F528 HydrophobicContact CE2-CZ 4.46Å
482	R	96.2	Very high	96.5	Very high	76 Å²	76	47.1 Å²	47.1	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-49	176.6	-173.4	-176	-179.7	-81.4	6.4	112.2	F416 H417 D418 M423 N480 A484 N485 L486	F416-R482 PolarHBondContact O-NH1 3.34Å; F416-R482 PolarHBondContact O-NH2 2.9Å; H417-R482 VanDerWaalsContact C-NH2 3.33Å; D418-R482 PolarHBondContact O-NE 3.31Å; D418-R482 PolarHBondContact O-NH2 3.42Å; M423-R482 HydrophobicContact CE-CB 4.39Å; M423-R482 HydrophobicContact CE-CG 3.27Å; M423-R482 WeakPolarHBondContact CE-O 3.38Å; N480-R482 VanDerWaalsContact C-N 3.34Å; N480-R482 PolarHBondContact O-N 3.36Å; N480-R482 PolarHBondContact OD1-N 2.99Å; R482-A484 VanDerWaalsContact C-N 3.26Å; R482-A484 PolarHBondContact O-N 3.4Å; R482-N485 PolarHBondContact O-N 3.07Å; R482-L486 PolarHBondContact O-N 3.4Å
483	T	95.8	Very high	96.7	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-32.6	178.1	50.8	0	0	0	0	112.2	F470 R478 N480 Y481 I487	F470-T483 HydrophobicContact CD2-CG2 4.38Å; F470-T483 HydrophobicContact CE1-CG2 4.35Å; F470-T483 HydrophobicContact CE2-CG2 3.68Å; F470-T483 HydrophobicContact CZ-CG2 3.68Å; R478-T483 HydrophobicContact CG-CG2 4.06Å; N480-T483 PolarHBondContact N-OG1 2.99Å; N480-T483 PolarHBondContact O-N 2.96Å; N480-T483 VanDerWaalsContact O-N 3.1Å; N480-T483 PolarHBondContact O-OG1 3.41Å; N480-T483 WeakPolarHBondContact OD1-CG2 3.48Å; N480-T483 PolarHBondContact OD1-N 3.48Å; N480-T483 PolarHBondContact OD1-OG1 3.46Å; Y481-T483 PolarHBondContact O-N 3.45Å; T483-I487 WeakPolarHBondContact O-CB 3.33Å; T483-I487 WeakPolarHBondContact O-CG1 3.02Å; T483-I487 PolarHBondContact O-N 3.47Å
484	A	98.1	Very high	97	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-44.5	176.7	0	0	0	0	0	111.4	N480 Y481 R482 I487 S488 H526 F528 L529	N480-A484 WeakPolarHBondContact O-CB 3.35Å; N480-A484 PolarHBondContact O-N 2.85Å; Y481-A484 WeakPolarHBondContact O-CB 3.37Å; Y481-A484 PolarHBondContact O-N 2.83Å; Y481-A484 VanDerWaalsContact O-N 3.13Å; R482-A484 VanDerWaalsContact C-N 3.26Å; R482-A484 PolarHBondContact O-N 3.4Å; A484-I487 PolarHBondContact O-N 2.91Å; A484-S488 PolarHBondContact O-N 2.65Å; A484-S488 PolarHBondContact O-OG 2.9Å; A484-S488 VanDerWaalsContact O-OG 3.04Å; A484-H526 HydrophobicContact CB-CB 4.07Å; A484-H526 VanDerWaalsContact CB-CD2 3.48Å; A484-H526 WeakPolarHBondContact CB-CD2 3.47Å; A484-F528 HydrophobicContact CB-CE2 4.06Å; A484-F528 HydrophobicContact CB-CZ 3.86Å; A484-L529 HydrophobicContact CB-CD2 3.85Å
485	N	98.3	Very high	97.2	Very high	24 Å²	24	40 Å²	40	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-44.9	174.3	-74.2	-31.6	0	0	0	112.2	P421 M423 Y481 R482 I487 S488 V489 F528	P421-N485 PolarHBondContact O-ND2 3.05Å; M423-N485 HydrophobicContact CG-CB 3.59Å; Y481-N485 WeakPolarHBondContact CE1-ND2 3.47Å; Y481-N485 PolarHBondContact O-N 2.92Å; R482-N485 PolarHBondContact O-N 3.07Å; N485-I487 VanDerWaalsContact C-N 3.32Å; N485-I487 PolarHBondContact O-N 3.23Å; N485-S488 WeakPolarHBondContact O-CB 3.46Å; N485-S488 PolarHBondContact O-N 2.54Å; N485-V489 PolarHBondContact O-N 3.38Å; N485-F528 WeakPolarHBondContact OD1-CE2 3.44Å; N485-F528 WeakPolarHBondContact OD1-CZ 3.29Å
486	L	98	Very high	97.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-47.2	175.3	175.2	60.1	0	0	0	111.1	F416 M423 P466 R482 S488 V489 L490	F416-L486 HydrophobicContact CD1-CD1 4.04Å; F416-L486 HydrophobicContact CD1-CD2 4.25Å; M423-L486 HydrophobicContact CE-CB 4.28Å; M423-L486 HydrophobicContact SD-CB 3.82Å; M423-L486 HydrophobicContact SD-CD1 4.21Å; P466-L486 HydrophobicContact CB-CD2 4.49Å; P466-L486 HydrophobicContact CG-CD2 4.43Å; R482-L486 PolarHBondContact O-N 3.4Å; L486-S488 VanDerWaalsContact C-N 3.33Å; L486-S488 PolarHBondContact O-N 2.91Å; L486-V489 PolarHBondContact O-N 3.17Å; L486-L490 HydrophobicContact CD1-CD1 4.38Å; L486-L490 HydrophobicContact CD1-CG 4.39Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.44Å; L486-L490 PolarHBondContact O-N 2.97Å; L486-L490 VanDerWaalsContact O-N 3.12Å
487	I	98.3	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-39.7	179.5	-64.7	-70.9	0	0	0	110.8	P466 L467 F470 T483 A484 N485 V489 L490 L491 F521 L529	P466-I487 HydrophobicContact CB-CD1 3.87Å; L467-I487 HydrophobicContact CD2-CD1 3.79Å; L467-I487 HydrophobicContact CD2-CG2 3.81Å; L467-I487 HydrophobicContact CG-CD1 4.34Å; F470-I487 HydrophobicContact CD2-CD1 3.64Å; F470-I487 HydrophobicContact CD2-CG1 3.79Å; F470-I487 HydrophobicContact CE2-CD1 4.09Å; F470-I487 HydrophobicContact CE2-CG1 4.2Å; T483-I487 WeakPolarHBondContact O-CB 3.33Å; T483-I487 WeakPolarHBondContact O-CG1 3.02Å; T483-I487 PolarHBondContact O-N 3.47Å; A484-I487 PolarHBondContact O-N 2.91Å; N485-I487 VanDerWaalsContact C-N 3.32Å; N485-I487 PolarHBondContact O-N 3.23Å; I487-V489 VanDerWaalsContact C-N 3.35Å; I487-V489 PolarHBondContact O-N 3.03Å; I487-L490 HydrophobicContact CD1-CD1 4.32Å; I487-L490 CarbonylContact O-C 3.47Å; I487-L490 PolarHBondContact O-N 3.25Å; I487-L490 VanDerWaalsContact O-N 3.11Å; I487-L491 HydrophobicContact CG2-CD1 4.08Å; I487-L491 HydrophobicContact CG2-CG 4.01Å; I487-L491 VanDerWaalsContact O-CG 3.29Å; I487-L491 WeakPolarHBondContact O-CG 3.27Å; I487-L491 PolarHBondContact O-N 3.47Å; I487-F521 HydrophobicContact CB-CE1 4.43Å; I487-F521 HydrophobicContact CB-CZ 4.5Å; I487-F521 HydrophobicContact CD1-CE1 4.33Å; I487-F521 HydrophobicContact CD1-CZ 3.8Å; I487-F521 HydrophobicContact CG1-CE1 4.01Å; I487-F521 HydrophobicContact CG1-CZ 3.99Å; I487-F521 HydrophobicContact CG2-CD1 4.18Å; I487-F521 HydrophobicContact CG2-CD2 4.11Å; I487-F521 HydrophobicContact CG2-CE1 3.92Å; I487-F521 HydrophobicContact CG2-CE2 3.87Å; I487-F521 HydrophobicContact CG2-CG 4.28Å; I487-F521 HydrophobicContact CG2-CZ 3.77Å; I487-L529 HydrophobicContact CB-CD1 4.07Å; I487-L529 HydrophobicContact CG2-CD1 3.55Å
488	S	98.4	Very high	97.4	Very high	18 Å²	18	27.2 Å²	27.2	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-47.2	174.7	-63.7	0	0	0	0	112.3	A484 N485 L486 L490 L491 D492 F528	A484-S488 PolarHBondContact O-N 2.65Å; A484-S488 PolarHBondContact O-OG 2.9Å; A484-S488 VanDerWaalsContact O-OG 3.04Å; N485-S488 WeakPolarHBondContact O-CB 3.46Å; N485-S488 PolarHBondContact O-N 2.54Å; L486-S488 VanDerWaalsContact C-N 3.33Å; L486-S488 PolarHBondContact O-N 2.91Å; S488-L490 VanDerWaalsContact C-N 3.3Å; S488-L490 PolarHBondContact O-N 2.87Å; S488-L491 PolarHBondContact O-N 3.5Å; S488-D492 PolarHBondContact O-N 2.99Å; S488-F528 WeakPolarHBondContact OG-CD2 2.97Å; S488-F528 WeakPolarHBondContact OG-CE2 3.21Å
489	V	98.1	Very high	97.5	Very high	17 Å²	17	24.7 Å²	24.7	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-43.5	175.3	174.9	0	0	0	0	111.1	M415 M423 A430 N485 L486 I487 D492 M493	M415-V489 HydrophobicContact CE-CG1 4.02Å; M423-V489 HydrophobicContact CB-CG2 4.05Å; M423-V489 HydrophobicContact CG-CG2 4.5Å; A430-V489 HydrophobicContact CB-CG1 3.65Å; N485-V489 PolarHBondContact O-N 3.38Å; L486-V489 PolarHBondContact O-N 3.17Å; I487-V489 VanDerWaalsContact C-N 3.35Å; I487-V489 PolarHBondContact O-N 3.03Å; V489-D492 PolarHBondContact O-N 3.28Å; V489-M493 PolarHBondContact O-N 2.98Å
490	L	98.2	Very high	97.4	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-35.8	179	-62.4	177.9	0	0	0	113.1	F416 L463 P466 L486 I487 S488 D492 M493 L494	F416-L490 HydrophobicContact CE1-CD1 4.31Å; F416-L490 HydrophobicContact CE1-CD2 4.31Å; L463-L490 HydrophobicContact CD1-CD2 3.41Å; L463-L490 VanDerWaalsContact CD1-CD2 3.41Å; L463-L490 HydrophobicContact CG-CD2 3.9Å; P466-L490 HydrophobicContact CB-CD1 3.91Å; P466-L490 HydrophobicContact CG-CD1 3.79Å; L486-L490 HydrophobicContact CD1-CD1 4.38Å; L486-L490 HydrophobicContact CD1-CG 4.39Å; L486-L490 HydrophobicContact CG-CD1 4.28Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.44Å; L486-L490 PolarHBondContact O-N 2.97Å; L486-L490 VanDerWaalsContact O-N 3.12Å; I487-L490 HydrophobicContact CD1-CD1 4.32Å; I487-L490 CarbonylContact O-C 3.47Å; I487-L490 PolarHBondContact O-N 3.25Å; I487-L490 VanDerWaalsContact O-N 3.11Å; S488-L490 VanDerWaalsContact C-N 3.3Å; S488-L490 PolarHBondContact O-N 2.87Å; L490-D492 VanDerWaalsContact C-N 3.33Å; L490-M493 PolarHBondContact O-N 3.43Å; L490-L494 WeakPolarHBondContact O-CB 3.17Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.86Å
491	L	98.5	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-37.7	175.3	-67.9	-179.5	0	0	0	111.1	L467 I487 S488 L494 T495 V518 L529 A533 L536	L467-L491 HydrophobicContact CD2-CD2 3.99Å; I487-L491 HydrophobicContact CG2-CD1 4.08Å; I487-L491 HydrophobicContact CG2-CG 4.01Å; I487-L491 VanDerWaalsContact O-CG 3.29Å; I487-L491 WeakPolarHBondContact O-CG 3.27Å; I487-L491 PolarHBondContact O-N 3.47Å; S488-L491 PolarHBondContact O-N 3.5Å; L491-L494 PolarHBondContact O-N 3.48Å; L491-T495 WeakPolarHBondContact O-CB 3.23Å; L491-T495 PolarHBondContact O-N 2.94Å; L491-T495 PolarHBondContact O-OG1 3.26Å; L491-V518 HydrophobicContact CD2-CB 4.35Å; L491-V518 HydrophobicContact CD2-CG1 3.76Å; L491-V518 HydrophobicContact CD2-CG2 3.76Å; L491-L529 HydrophobicContact CD1-CD1 3.67Å; L491-A533 HydrophobicContact CD1-CB 4.26Å; L491-L536 HydrophobicContact CB-CD1 4.32Å; L491-L536 HydrophobicContact CD2-CD1 3.79Å
492	D	98	Very high	97	Very high	65 Å²	65	23.3 Å²	23.3	35%	0.348	12%	0.121	S	C	.	.	H	α-helix	trans	-68.3	-41.9	176.8	-71.6	-17.5	0	0	0	111.5	S488 V489 L490 L494 T495 F496 R535	S488-D492 PolarHBondContact O-N 2.99Å; V489-D492 PolarHBondContact O-N 3.28Å; L490-D492 VanDerWaalsContact C-N 3.33Å; D492-L494 PolarHBondContact O-N 3.49Å; D492-T495 WeakPolarHBondContact O-CB 3.29Å; D492-T495 PolarHBondContact O-N 3.28Å; D492-F496 PolarHBondContact O-N 3.3Å; D492-R535 IonicContact OD1-CZ 2.93Å; D492-R535 IonicContact OD1-NE 3.35Å; D492-R535 IonicContact OD1-NH2 3.83Å; D492-R535 PolarHBondContact OD1-NH2 3.32Å; D492-R535 IonicContact OD2-NH2 3.01Å; D492-R535 PolarHBondContact OD2-NH2 3.17Å
493	M	97.4	Very high	96.8	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-43.5	171.6	-74.2	-166.8	73.7	0	0	112.9	M415 A430 M433 L463 V489 L490 T495 F496 C497	M415-M493 HydrophobicContact CE-SD 3.81Å; A430-M493 HydrophobicContact CB-CG 3.86Å; A430-M493 HydrophobicContact CB-SD 3.74Å; M433-M493 HydrophobicContact CB-CE 3.56Å; M433-M493 HydrophobicContact CG-CE 4.25Å; M433-M493 HydrophobicContact SD-CE 3.69Å; M433-M493 HydrophobicContact SD-SD 4.5Å; L463-M493 HydrophobicContact CD1-CE 4.46Å; L463-M493 HydrophobicContact CD1-SD 4.04Å; L463-M493 HydrophobicContact CD2-CE 3.72Å; L463-M493 HydrophobicContact CD2-SD 4.07Å; V489-M493 PolarHBondContact O-N 2.98Å; L490-M493 PolarHBondContact O-N 3.43Å; M493-T495 VanDerWaalsContact C-N 3.33Å; M493-F496 PolarHBondContact O-N 3.39Å; M493-C497 PolarHBondContact O-N 3.41Å; M493-C497 PolarHBondContact O-SG 3.2Å
494	L	97.8	Very high	96.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-38.9	176.5	-82.4	-179.5	0	0	0	112	M460 L467 L490 L491 D492 C497 I498 I505 M509 L536	M460-L494 HydrophobicContact CE-CD2 4.42Å; M460-L494 HydrophobicContact SD-CD2 4.09Å; L467-L494 HydrophobicContact CD1-CD1 3.36Å; L490-L494 WeakPolarHBondContact O-CB 3.17Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.86Å; L491-L494 PolarHBondContact O-N 3.48Å; D492-L494 PolarHBondContact O-N 3.49Å; L494-C497 PolarHBondContact O-N 3.35Å; L494-I498 WeakPolarHBondContact O-CB 3.49Å; L494-I498 WeakPolarHBondContact O-CD1 3.48Å; L494-I498 WeakPolarHBondContact O-CG1 3.44Å; L494-I498 PolarHBondContact O-N 3.24Å; L494-I505 HydrophobicContact CD2-CD1 4.24Å; L494-M509 HydrophobicContact CD2-SD 4.42Å; L494-L536 HydrophobicContact CB-CD1 3.74Å; L494-L536 HydrophobicContact CD1-CD1 4.35Å
495	T	98.3	Very high	96.6	Very high	10 Å²	10	25.6 Å²	25.6	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-49.1	177.1	-61.7	0	0	0	0	110.5	L491 D492 M493 C497 I498 E499 R539	L491-T495 WeakPolarHBondContact O-CB 3.23Å; L491-T495 PolarHBondContact O-N 2.94Å; L491-T495 PolarHBondContact O-OG1 3.26Å; D492-T495 WeakPolarHBondContact O-CB 3.29Å; D492-T495 PolarHBondContact O-N 3.28Å; M493-T495 VanDerWaalsContact C-N 3.33Å; T495-C497 PolarHBondContact O-N 3.13Å; T495-I498 WeakPolarHBondContact O-CB 3.34Å; T495-I498 PolarHBondContact O-N 3.49Å; T495-I498 VanDerWaalsContact O-N 3.16Å; T495-E499 PolarHBondContact O-N 3.38Å; T495-E499 VanDerWaalsContact O-N 3.09Å; T495-R539 HydrophobicContact CG2-CB 3.86Å; T495-R539 HydrophobicContact CG2-CG 3.57Å
496	F	97.6	Very high	96.6	Very high	28 Å²	28	28 Å²	28	12%	0.123	14%	0.138	C	C	.	.	H	α-helix	trans	-54.5	-50.8	172.7	171.9	-94.3	0	0	0	111.5	R434 L437 D438 D492 M493 I498 E499 H500	R434-F496 HydrophobicContact CG-CB 4.4Å; R434-F496 HydrophobicContact CG-CD1 4.02Å; R434-F496 HydrophobicContact CG-CD2 4.36Å; R434-F496 HydrophobicContact CG-CE1 4.39Å; R434-F496 HydrophobicContact CG-CG 3.99Å; L437-F496 HydrophobicContact CB-CE1 3.91Å; D438-F496 HydrophobicContact CB-CZ 4.24Å; D492-F496 PolarHBondContact O-N 3.3Å; M493-F496 PolarHBondContact O-N 3.39Å; F496-I498 VanDerWaalsContact C-N 3.26Å; F496-I498 PolarHBondContact O-N 3.21Å; F496-E499 PolarHBondContact O-N 3.12Å; F496-E499 VanDerWaalsContact O-N 3.08Å; F496-H500 AromaticContact CD2-CD2 3.46Å; F496-H500 VanDerWaalsContact CD2-CD2 3.46Å; F496-H500 WeakPolarHBondContact CD2-CD2 3.39Å; F496-H500 AromaticContact CD2-NE2 3.89Å; F496-H500 AromaticContact CE2-CD2 3.49Å; F496-H500 VanDerWaalsContact CE2-CD2 3.49Å; F496-H500 WeakPolarHBondContact CE2-CD2 3.32Å; F496-H500 AromaticContact CE2-NE2 3.87Å; F496-H500 PolarHBondContact O-CD2 3.01Å; F496-H500 PolarHBondContact O-N 3.36Å
497	C	97.3	Very high	96.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-38.2	179.6	-69.9	0	0	0	0	112.7	Y456 M460 M493 L494 T495 E499 H500 H501 I505	Y456-C497 WeakPolarHBondContact OH-CB 3.29Å; M460-C497 HydrophobicContact CE-CB 4.22Å; M493-C497 PolarHBondContact O-N 3.41Å; M493-C497 PolarHBondContact O-SG 3.2Å; L494-C497 PolarHBondContact O-N 3.35Å; T495-C497 PolarHBondContact O-N 3.13Å; C497-E499 VanDerWaalsContact C-N 3.33Å; C497-H500 PolarHBondContact O-N 3.12Å; C497-H501 WeakPolarHBondContact O-CB 3.14Å; C497-H501 PolarHBondContact O-N 3.1Å; C497-I505 HydrophobicContact CB-CD1 3.9Å; C497-I505 HydrophobicContact CB-CG1 4.08Å; C497-I505 VanDerWaalsContact O-CG2 3.3Å; C497-I505 WeakPolarHBondContact O-CG2 3.48Å
498	I	97.6	Very high	96.4	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-41.5	177.8	-73.6	164.5	0	0	0	110.4	L494 T495 F496 I505 M509 L536 L543	L494-I498 WeakPolarHBondContact O-CB 3.49Å; L494-I498 WeakPolarHBondContact O-CD1 3.48Å; L494-I498 WeakPolarHBondContact O-CG1 3.44Å; L494-I498 PolarHBondContact O-N 3.24Å; T495-I498 WeakPolarHBondContact O-CB 3.34Å; T495-I498 PolarHBondContact O-N 3.49Å; T495-I498 VanDerWaalsContact O-N 3.16Å; F496-I498 VanDerWaalsContact C-N 3.26Å; F496-I498 PolarHBondContact O-N 3.21Å; I498-I505 HydrophobicContact CB-CG1 4.44Å; I498-I505 HydrophobicContact CG1-CD1 4.39Å; I498-I505 HydrophobicContact CG1-CG1 3.69Å; I498-M509 HydrophobicContact CD1-CE 4.12Å; I498-L536 HydrophobicContact CD1-CD1 4.38Å; I498-L536 HydrophobicContact CD1-CD2 3.7Å; I498-L536 HydrophobicContact CD1-CG 3.96Å; I498-L543 HydrophobicContact CG2-CD1 3.7Å; I498-L543 WeakPolarHBondContact O-CD1 3.22Å
499	E	96.1	Very high	96.4	Very high	66 Å²	66	29.6 Å²	29.6	31%	0.308	15%	0.153	S	C	.	.	H	α-helix	trans	-71.9	-31.3	-179.3	-69.4	176.8	141.4	0	0	112.6	T495 F496 C497 R539	T495-E499 PolarHBondContact O-N 3.38Å; T495-E499 VanDerWaalsContact O-N 3.09Å; F496-E499 PolarHBondContact O-N 3.12Å; F496-E499 VanDerWaalsContact O-N 3.08Å; C497-E499 VanDerWaalsContact C-N 3.33Å; E499-R539 VanDerWaalsContact OE1-CD 3.29Å; E499-R539 WeakPolarHBondContact OE1-CD 3.42Å; E499-R539 IonicContact OE1-CZ 2.8Å; E499-R539 IonicContact OE1-NE 3.9Å; E499-R539 IonicContact OE1-NH1 3.6Å; E499-R539 PolarHBondContact OE1-NH1 3.16Å
500	H	93.6	Very high	96.4	Very high	87 Å²	87	30.8 Å²	30.8	40%	0.403	16%	0.158	S	C	.	.	H	α-helix	trans	-113.7	-23.5	-167.4	-65.6	-79	0	0	0	116.6	P439 F496 C497	P439-H500 HydrophobicContact CG-CB 4.06Å; F496-H500 AromaticContact CD2-CD2 3.46Å; F496-H500 VanDerWaalsContact CD2-CD2 3.46Å; F496-H500 WeakPolarHBondContact CD2-CD2 3.39Å; F496-H500 AromaticContact CD2-NE2 3.89Å; F496-H500 AromaticContact CE2-CD2 3.49Å; F496-H500 VanDerWaalsContact CE2-CD2 3.49Å; F496-H500 WeakPolarHBondContact CE2-CD2 3.32Å; F496-H500 AromaticContact CE2-NE2 3.87Å; F496-H500 PolarHBondContact O-CD2 3.01Å; F496-H500 PolarHBondContact O-N 3.36Å; C497-H500 PolarHBondContact O-N 3.12Å
501	H	93.2	Very high	96.2	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	19%	0.193	C	C	.	.			trans	-104	10.1	-168.9	-60.3	167.3	0	0	0	116	L437 Y456 C497 Y503 H504 I505	L437-H501 PolarHBondContact O-NE2 3.48Å; Y456-H501 HydrophobicContact CE2-CB 4.19Å; Y456-H501 AromaticContact CE2-ND1 3.51Å; Y456-H501 AromaticContact CZ-ND1 3.6Å; Y456-H501 WeakPolarHBondContact OH-CB 3.24Å; Y456-H501 PolarHBondContact OH-ND1 2.97Å; C497-H501 WeakPolarHBondContact O-CB 3.14Å; C497-H501 PolarHBondContact O-N 3.1Å; H501-Y503 PolarHBondContact O-N 3.26Å; H501-Y503 VanDerWaalsContact O-N 3.1Å; H501-H504 PolarHBondContact O-N 3.48Å; H501-I505 HydrophobicContact CB-CB 4.19Å; H501-I505 HydrophobicContact CB-CG2 4.12Å
502	S	92.3	Very high	96.1	Very high	73 Å²	73	41.2 Å²	41.2	51%	0.51	21%	0.211	S	C	.	.	H	α-helix	trans	44.2	-109.7	173	69	0	0	0	0	115.1	I505 R506	S502-I505 VanDerWaalsContact O-CG2 3.22Å; S502-I505 WeakPolarHBondContact O-CG2 3.38Å; S502-R506 VanDerWaalsContact O-CB 3.26Å; S502-R506 WeakPolarHBondContact O-CB 3.47Å; S502-R506 PolarHBondContact O-N 2.63Å
503	Y	92.6	Very high	96	Very high	103 Å²	103	40.4 Å²	40.4	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-73.8	-30	-172.7	64.9	-88.9	0	0	0	114	Y449 H501 R506 G507	Y449-Y503 WeakPolarHBondContact CD2-OH 3.41Å; Y449-Y503 HydrophobicContact CE2-CE2 4.39Å; Y449-Y503 WeakPolarHBondContact CE2-OH 3.28Å; H501-Y503 PolarHBondContact O-N 3.26Å; H501-Y503 VanDerWaalsContact O-N 3.1Å; Y503-R506 PolarHBondContact O-N 3.16Å; Y503-G507 PolarHBondContact O-N 2.99Å
504	H	93.5	Very high	96	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.116	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-52.6	-179.7	-68	104.2	0	0	0	110.8	Y456 H501 F508	Y456-H504 HydrophobicContact CD1-CB 4.47Å; Y456-H504 HydrophobicContact CD2-CB 3.63Å; Y456-H504 HydrophobicContact CE1-CB 4.49Å; Y456-H504 HydrophobicContact CE2-CB 3.64Å; Y456-H504 HydrophobicContact CG-CB 4.07Å; H501-H504 PolarHBondContact O-N 3.48Å; H504-F508 WeakPolarHBondContact O-CB 3.36Å; H504-F508 PolarHBondContact O-N 3.3Å; H504-F508 VanDerWaalsContact O-N 3.13Å
505	I	96.6	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-41.3	177.1	-171.7	56.1	0	0	0	111.3	Y456 M460 L494 C497 I498 H501 S502 F508 M509	Y456-I505 HydrophobicContact CE1-CB 4.14Å; Y456-I505 HydrophobicContact CE1-CD1 3.82Å; Y456-I505 WeakPolarHBondContact OH-CB 3.29Å; M460-I505 HydrophobicContact CE-CD1 4.43Å; L494-I505 HydrophobicContact CD2-CD1 4.24Å; C497-I505 HydrophobicContact CB-CD1 3.9Å; C497-I505 HydrophobicContact CB-CG1 4.08Å; C497-I505 VanDerWaalsContact O-CG2 3.3Å; C497-I505 WeakPolarHBondContact O-CG2 3.48Å; I498-I505 HydrophobicContact CB-CG1 4.44Å; I498-I505 HydrophobicContact CG1-CD1 4.39Å; I498-I505 HydrophobicContact CG1-CG1 3.69Å; H501-I505 HydrophobicContact CB-CB 4.19Å; H501-I505 HydrophobicContact CB-CG2 4.12Å; S502-I505 VanDerWaalsContact O-CG2 3.22Å; S502-I505 WeakPolarHBondContact O-CG2 3.38Å; I505-F508 WeakPolarHBondContact O-CB 3.21Å; I505-F508 PolarHBondContact O-N 2.61Å; I505-M509 HydrophobicContact CD1-CG 3.84Å; I505-M509 HydrophobicContact CD1-SD 4.18Å; I505-M509 HydrophobicContact CG1-CG 3.94Å; I505-M509 WeakPolarHBondContact O-CB 3.15Å; I505-M509 VanDerWaalsContact O-CG 3.26Å; I505-M509 WeakPolarHBondContact O-CG 3.27Å; I505-M509 PolarHBondContact O-N 3.18Å
506	R	97.2	Very high	95.9	Very high	76 Å²	76	41 Å²	41	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-50.6	179.9	-176.5	177.8	60.5	-150.2	-5.9	111.5	S502 Y503 F508 M509 I510 D545 Y548	S502-R506 VanDerWaalsContact O-CB 3.26Å; S502-R506 WeakPolarHBondContact O-CB 3.47Å; S502-R506 PolarHBondContact O-N 2.63Å; Y503-R506 PolarHBondContact O-N 3.16Å; R506-F508 PolarHBondContact O-N 3.28Å; R506-M509 PolarHBondContact O-N 2.65Å; R506-I510 HydrophobicContact CG-CG1 4.31Å; R506-I510 WeakPolarHBondContact O-CB 3.46Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.15Å; R506-D545 WeakPolarHBondContact CD-OD2 3.29Å; R506-D545 IonicContact CZ-OD2 3.63Å; R506-D545 IonicContact NE-OD2 2.88Å; R506-D545 IonicContact NH1-OD2 3.5Å; R506-D545 PolarHBondContact NH1-OD2 2.69Å; R506-Y548 VanDerWaalsContact CA-OH 3.3Å; R506-Y548 WeakPolarHBondContact CA-OH 3.27Å; R506-Y548 HydrophobicContact CB-CE2 4.11Å; R506-Y548 HydrophobicContact CG-CD2 4.42Å; R506-Y548 HydrophobicContact CG-CE1 4.46Å; R506-Y548 HydrophobicContact CG-CE2 3.98Å
507	G	95.4	Very high	95.9	Very high	37 Å²	37	42.1 Å²	42.1	38%	0.381	22%	0.218	S	C	.	.	H	α-helix	trans	-56.9	-40.1	175.8	0	0	0	0	0	112.2	Y503 T511	Y503-G507 PolarHBondContact O-N 2.99Å; G507-T511 VanDerWaalsContact O-CB 3.27Å; G507-T511 WeakPolarHBondContact O-CB 3.46Å; G507-T511 PolarHBondContact O-N 3.44Å; G507-T511 VanDerWaalsContact O-N 3.14Å; G507-T511 PolarHBondContact O-OG1 3.13Å
508	F	97.4	Very high	96	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-45.7	178.4	-171.2	-94.1	0	0	0	113.4	Y456 M460 P461 C464 H504 I505 R506 R512 L514	Y456-F508 HydrophobicContact CD1-CB 3.89Å; Y456-F508 HydrophobicContact CD1-CD2 4.12Å; Y456-F508 HydrophobicContact CD1-CG 4.01Å; Y456-F508 HydrophobicContact CE1-CB 4.13Å; Y456-F508 HydrophobicContact CE1-CG 4.35Å; M460-F508 HydrophobicContact CB-CE1 4.45Å; M460-F508 HydrophobicContact CB-CE2 4Å; M460-F508 HydrophobicContact CB-CZ 3.99Å; M460-F508 HydrophobicContact CG-CD1 3.81Å; M460-F508 HydrophobicContact CG-CD2 4.15Å; M460-F508 HydrophobicContact CG-CE1 3.37Å; M460-F508 HydrophobicContact CG-CE2 3.74Å; M460-F508 HydrophobicContact CG-CG 4.19Å; M460-F508 HydrophobicContact CG-CZ 3.36Å; M460-F508 HydrophobicContact SD-CE1 4.41Å; P461-F508 HydrophobicContact CG-CE2 4Å; C464-F508 HydrophobicContact CB-CE1 4.37Å; C464-F508 HydrophobicContact CB-CZ 4.48Å; H504-F508 WeakPolarHBondContact O-CB 3.36Å; H504-F508 PolarHBondContact O-N 3.3Å; H504-F508 VanDerWaalsContact O-N 3.13Å; I505-F508 WeakPolarHBondContact O-CB 3.21Å; I505-F508 PolarHBondContact O-N 2.61Å; R506-F508 PolarHBondContact O-N 3.28Å; F508-R512 WeakPolarHBondContact O-CB 3.49Å; F508-R512 PolarHBondContact O-N 3.39Å; F508-L514 HydrophobicContact CD1-CD1 3.49Å; F508-L514 VanDerWaalsContact CD1-CD1 3.49Å; F508-L514 HydrophobicContact CE1-CD1 3.22Å; F508-L514 HydrophobicContact CZ-CD1 4.25Å
509	M	97.5	Very high	96	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-45	-179.5	-71.1	-61.4	-70.4	0	0	111.9	L494 I498 I505 R506 D513 L514 L515 Y548	L494-M509 HydrophobicContact CD2-SD 4.42Å; I498-M509 HydrophobicContact CD1-CE 4.12Å; I505-M509 HydrophobicContact CD1-CG 3.84Å; I505-M509 HydrophobicContact CD1-SD 4.18Å; I505-M509 HydrophobicContact CG1-CG 3.94Å; I505-M509 WeakPolarHBondContact O-CB 3.15Å; I505-M509 VanDerWaalsContact O-CG 3.26Å; I505-M509 WeakPolarHBondContact O-CG 3.27Å; I505-M509 PolarHBondContact O-N 3.18Å; R506-M509 PolarHBondContact O-N 2.65Å; M509-D513 PolarHBondContact O-N 2.88Å; M509-D513 VanDerWaalsContact O-N 3.17Å; M509-L514 HydrophobicContact CE-CB 3.64Å; M509-L514 PolarHBondContact O-N 2.68Å; M509-L514 HydrophobicContact SD-CB 3.62Å; M509-L514 HydrophobicContact SD-CD1 3.81Å; M509-L514 HydrophobicContact SD-CG 4.36Å; M509-L515 HydrophobicContact CE-CD2 3.63Å; M509-L515 HydrophobicContact CE-CG 3.78Å; M509-Y548 HydrophobicContact CB-CE1 3.85Å; M509-Y548 HydrophobicContact CG-CE1 4.36Å
510	I	97.5	Very high	96.1	Very high	42 Å²	42	39.5 Å²	39.5	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-51.7	-176.9	-61.2	-63.9	0	0	0	111	R506 R512 D513 V547 Y548 H551	R506-I510 HydrophobicContact CG-CG1 4.31Å; R506-I510 WeakPolarHBondContact O-CB 3.46Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.15Å; I510-R512 PolarHBondContact O-N 2.97Å; I510-R512 VanDerWaalsContact O-N 3.09Å; I510-D513 PolarHBondContact O-N 3.42Å; I510-D513 VanDerWaalsContact O-N 3.1Å; I510-V547 HydrophobicContact CD1-CG1 4.31Å; I510-V547 HydrophobicContact CG1-CG1 4.17Å; I510-Y548 HydrophobicContact CD1-CD1 3.91Å; I510-Y548 HydrophobicContact CD1-CE1 4.22Å; I510-H551 HydrophobicContact CD1-CB 3.45Å; I510-H551 VanDerWaalsContact CD1-CB 3.45Å; I510-H551 VanDerWaalsContact CD1-CG 3.46Å
511	T	96	Very high	96.4	Very high	124 Å²	124	35.5 Å²	35.5	76%	0.761	19%	0.188	S	C	*	.	H	α-helix	trans	-61.1	-26.4	-176.1	-54.1	0	0	0	0	112.7	G507	G507-T511 VanDerWaalsContact O-CB 3.27Å; G507-T511 WeakPolarHBondContact O-CB 3.46Å; G507-T511 PolarHBondContact O-N 3.44Å; G507-T511 VanDerWaalsContact O-N 3.14Å; G507-T511 PolarHBondContact O-OG1 3.13Å
512	R	95.4	Very high	96.6	Very high	99 Å²	99	35.9 Å²	35.9	37%	0.374	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	2	-177.6	-64.5	177.7	178.9	-87.7	-1.6	113.5	F508 I510 L514 K517	F508-R512 WeakPolarHBondContact O-CB 3.49Å; F508-R512 PolarHBondContact O-N 3.39Å; I510-R512 PolarHBondContact O-N 2.97Å; I510-R512 VanDerWaalsContact O-N 3.09Å; R512-L514 HydrophobicContact CB-CD1 4.05Å; R512-L514 HydrophobicContact CB-CG 3.82Å; R512-L514 PolarHBondContact O-N 3.48Å; R512-K517 PolarHBondContact O-NZ 3.32Å
513	D	95.8	Very high	96.9	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	48.1	-172.6	-167.5	29.4	0	0	0	112.4	M509 I510 L515 A516 H551	M509-D513 PolarHBondContact O-N 2.88Å; M509-D513 VanDerWaalsContact O-N 3.17Å; I510-D513 PolarHBondContact O-N 3.42Å; I510-D513 VanDerWaalsContact O-N 3.1Å; D513-L515 PolarHBondContact O-N 3.26Å; D513-A516 VanDerWaalsContact CG-CB 3.46Å; D513-A516 PolarHBondContact O-N 3.19Å; D513-A516 WeakPolarHBondContact OD1-CB 3.49Å; D513-A516 WeakPolarHBondContact OD2-CB 3.19Å; D513-H551 IonicContact OD1-CE1 2.72Å; D513-H551 PolarHBondContact OD1-CE1 3.26Å; D513-H551 IonicContact OD1-NE2 3.16Å; D513-H551 PolarHBondContact OD1-NE2 2.89Å
514	L	97.3	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-31.5	-171.4	-87.3	167.2	0	0	0	112.6	L467 F508 M509 R512 A516 K517 V518	L467-L514 HydrophobicContact CD1-CD2 4.48Å; F508-L514 HydrophobicContact CD1-CD1 3.49Å; F508-L514 VanDerWaalsContact CD1-CD1 3.49Å; F508-L514 HydrophobicContact CE1-CD1 3.22Å; F508-L514 HydrophobicContact CZ-CD1 4.25Å; M509-L514 HydrophobicContact CE-CB 3.64Å; M509-L514 PolarHBondContact O-N 2.68Å; M509-L514 HydrophobicContact SD-CB 3.62Å; M509-L514 HydrophobicContact SD-CD1 3.81Å; M509-L514 HydrophobicContact SD-CG 4.36Å; R512-L514 HydrophobicContact CB-CD1 4.05Å; R512-L514 HydrophobicContact CB-CG 3.82Å; R512-L514 PolarHBondContact O-N 3.48Å; L514-A516 VanDerWaalsContact C-N 3.31Å; L514-A516 PolarHBondContact O-N 3.36Å; L514-K517 HydrophobicContact CD2-CD 4.29Å; L514-K517 WeakPolarHBondContact O-CB 3.36Å; L514-K517 PolarHBondContact O-N 2.77Å; L514-K517 VanDerWaalsContact O-N 3.15Å; L514-V518 WeakPolarHBondContact O-CG2 3.37Å; L514-V518 PolarHBondContact O-N 3.38Å
515	L	97.7	Very high	97.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-40.9	175.7	-70.4	174.9	0	0	0	111.6	M509 D513 K517 V518 L519 L536 T540 Y548 I552 L557	M509-L515 HydrophobicContact CE-CD2 3.63Å; M509-L515 HydrophobicContact CE-CG 3.78Å; D513-L515 PolarHBondContact O-N 3.26Å; L515-K517 VanDerWaalsContact C-N 3.3Å; L515-K517 PolarHBondContact O-N 2.9Å; L515-V518 PolarHBondContact O-N 2.91Å; L515-L519 VanDerWaalsContact O-CG 3.28Å; L515-L519 WeakPolarHBondContact O-CG 3.35Å; L515-L519 PolarHBondContact O-N 3.06Å; L515-L536 HydrophobicContact CD2-CD2 3.66Å; L515-T540 HydrophobicContact CD1-CG2 4.06Å; L515-T540 HydrophobicContact CD2-CG2 4.4Å; L515-Y548 HydrophobicContact CD1-CD1 4.12Å; L515-Y548 HydrophobicContact CD1-CE1 4.47Å; L515-I552 HydrophobicContact CD1-CD1 4.37Å; L515-I552 HydrophobicContact CD1-CG1 4.15Å; L515-L557 HydrophobicContact CB-CD1 3.57Å; L515-L557 HydrophobicContact CD1-CD1 4.24Å
516	A	97.4	Very high	97.3	Very high	25 Å²	25	40.9 Å²	40.9	21%	0.207	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-42.6	175.4	0	0	0	0	0	111.6	D513 L514 L519 V520 L557	D513-A516 VanDerWaalsContact CG-CB 3.46Å; D513-A516 PolarHBondContact O-N 3.19Å; D513-A516 WeakPolarHBondContact OD1-CB 3.49Å; D513-A516 WeakPolarHBondContact OD2-CB 3.19Å; L514-A516 VanDerWaalsContact C-N 3.31Å; L514-A516 PolarHBondContact O-N 3.36Å; A516-L519 PolarHBondContact O-N 3.07Å; A516-V520 PolarHBondContact O-N 2.71Å; A516-L557 HydrophobicContact CB-CD2 3.73Å
517	K	97.5	Very high	97.3	Very high	52 Å²	52	41.4 Å²	41.4	23%	0.226	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-42.2	176.3	-62.7	-175.1	-179.7	109.3	0	112.2	I468 R512 L514 L515 L519 V520	I468-K517 HydrophobicContact CB-CD 4.45Å; I468-K517 HydrophobicContact CG1-CD 3.83Å; R512-K517 PolarHBondContact O-NZ 3.32Å; L514-K517 HydrophobicContact CD2-CD 4.29Å; L514-K517 WeakPolarHBondContact O-CB 3.36Å; L514-K517 PolarHBondContact O-N 2.77Å; L514-K517 VanDerWaalsContact O-N 3.15Å; L515-K517 VanDerWaalsContact C-N 3.3Å; L515-K517 PolarHBondContact O-N 2.9Å; K517-L519 VanDerWaalsContact C-N 3.29Å; K517-L519 PolarHBondContact O-N 3.39Å; K517-V520 WeakPolarHBondContact O-CB 3.41Å; K517-V520 PolarHBondContact O-N 2.88Å
518	V	98.4	Very high	97.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-43.1	174.9	170.4	0	0	0	0	110.7	L491 L514 L515 V520 F521 A533 L536	L491-V518 HydrophobicContact CD2-CB 4.35Å; L491-V518 HydrophobicContact CD2-CG1 3.76Å; L491-V518 HydrophobicContact CD2-CG2 3.76Å; L514-V518 WeakPolarHBondContact O-CG2 3.37Å; L514-V518 PolarHBondContact O-N 3.38Å; L515-V518 PolarHBondContact O-N 2.91Å; V518-V520 PolarHBondContact O-N 2.95Å; V518-F521 WeakPolarHBondContact O-CB 3.48Å; V518-F521 WeakPolarHBondContact O-CD2 3.43Å; V518-F521 PolarHBondContact O-N 3.49Å; V518-F521 VanDerWaalsContact O-N 3.08Å; V518-A533 HydrophobicContact CG1-CB 3.92Å; V518-L536 HydrophobicContact CG1-CD1 4.37Å; V518-L536 HydrophobicContact CG1-CD2 4.24Å; V518-L536 HydrophobicContact CG2-CD1 4.29Å
519	L	98.6	Very high	97.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-15.8	-178.5	-68.5	168.9	0	0	0	114	L515 A516 K517 F521 L522 F537 L557 P560 I561	L515-L519 VanDerWaalsContact O-CG 3.28Å; L515-L519 WeakPolarHBondContact O-CG 3.35Å; L515-L519 PolarHBondContact O-N 3.06Å; A516-L519 PolarHBondContact O-N 3.07Å; K517-L519 VanDerWaalsContact C-N 3.29Å; K517-L519 PolarHBondContact O-N 3.39Å; L519-F521 PolarHBondContact O-N 2.95Å; L519-L522 HydrophobicContact CB-CD1 4.48Å; L519-L522 HydrophobicContact CD2-CD1 3.8Å; L519-L522 HydrophobicContact CD2-CG 4.39Å; L519-L522 WeakPolarHBondContact O-CB 3.44Å; L519-L522 WeakPolarHBondContact O-CG 3.5Å; L519-L522 PolarHBondContact O-N 3.42Å; L519-F537 HydrophobicContact CD1-CD2 3.93Å; L519-F537 HydrophobicContact CD1-CE2 3.98Å; L519-F537 HydrophobicContact CD2-CB 4.23Å; L519-F537 HydrophobicContact CD2-CD2 4.04Å; L519-F537 HydrophobicContact CD2-CG 4.19Å; L519-F537 HydrophobicContact CG-CD2 4.31Å; L519-L557 HydrophobicContact CD1-CB 3.7Å; L519-L557 HydrophobicContact CD1-CD1 4.44Å; L519-L557 HydrophobicContact CD1-CD2 4.41Å; L519-L557 HydrophobicContact CD1-CG 4.4Å; L519-L557 WeakPolarHBondContact CD1-O 3.46Å; L519-P560 HydrophobicContact CB-CB 4.28Å; L519-P560 HydrophobicContact CB-CG 3.76Å; L519-P560 HydrophobicContact CD1-CG 3.98Å; L519-P560 HydrophobicContact CG-CG 4.39Å; L519-I561 HydrophobicContact CD2-CD1 4.11Å; L519-I561 HydrophobicContact CD2-CG1 3.92Å
520	V	98.3	Very high	97.5	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-30.7	169.7	177.1	0	0	0	0	111.1	T471 L476 A516 K517 V518 L522 Q523	T471-V520 HydrophobicContact CG2-CB 3.8Å; T471-V520 HydrophobicContact CG2-CG1 3.81Å; T471-V520 HydrophobicContact CG2-CG2 4.46Å; L476-V520 HydrophobicContact CB-CG1 4.34Å; A516-V520 PolarHBondContact O-N 2.71Å; K517-V520 WeakPolarHBondContact O-CB 3.41Å; K517-V520 PolarHBondContact O-N 2.88Å; V518-V520 PolarHBondContact O-N 2.95Å; V520-L522 PolarHBondContact O-N 3.43Å; V520-L522 VanDerWaalsContact O-N 3.17Å; V520-Q523 WeakPolarHBondContact O-CB 3.23Å; V520-Q523 WeakPolarHBondContact O-CG 3.37Å; V520-Q523 PolarHBondContact O-N 3.49Å; V520-Q523 VanDerWaalsContact O-N 3.07Å
521	F	98.4	Very high	97.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-69.4	-8	178.6	-65.2	-73.3	0	0	0	114.1	L467 F470 T471 L476 I487 V518 L519 Q523 S524 L529 A533	L467-F521 HydrophobicContact CD2-CE2 3.66Å; L467-F521 HydrophobicContact CD2-CZ 4.22Å; F470-F521 HydrophobicContact CB-CE1 4.37Å; F470-F521 HydrophobicContact CB-CZ 4.32Å; T471-F521 HydrophobicContact CG2-CD2 4.34Å; T471-F521 HydrophobicContact CG2-CE1 4.16Å; T471-F521 HydrophobicContact CG2-CE2 3.68Å; T471-F521 HydrophobicContact CG2-CZ 3.58Å; L476-F521 HydrophobicContact CD1-CD1 3.48Å; L476-F521 VanDerWaalsContact CD1-CD1 3.48Å; L476-F521 HydrophobicContact CD1-CE1 3.47Å; L476-F521 VanDerWaalsContact CD1-CE1 3.47Å; L476-F521 HydrophobicContact CD1-CG 4.47Å; L476-F521 HydrophobicContact CD1-CZ 4.44Å; I487-F521 HydrophobicContact CB-CE1 4.43Å; I487-F521 HydrophobicContact CB-CZ 4.5Å; I487-F521 HydrophobicContact CD1-CE1 4.33Å; I487-F521 HydrophobicContact CD1-CZ 3.8Å; I487-F521 HydrophobicContact CG1-CE1 4.01Å; I487-F521 HydrophobicContact CG1-CZ 3.99Å; I487-F521 HydrophobicContact CG2-CD1 4.18Å; I487-F521 HydrophobicContact CG2-CD2 4.11Å; I487-F521 HydrophobicContact CG2-CE1 3.92Å; I487-F521 HydrophobicContact CG2-CE2 3.87Å; I487-F521 HydrophobicContact CG2-CG 4.28Å; I487-F521 HydrophobicContact CG2-CZ 3.77Å; V518-F521 WeakPolarHBondContact O-CB 3.48Å; V518-F521 WeakPolarHBondContact O-CD2 3.43Å; V518-F521 PolarHBondContact O-N 3.49Å; V518-F521 VanDerWaalsContact O-N 3.08Å; L519-F521 PolarHBondContact O-N 2.95Å; F521-Q523 PolarHBondContact O-N 2.86Å; F521-Q523 VanDerWaalsContact O-N 3.1Å; F521-S524 VanDerWaalsContact O-CB 3.29Å; F521-S524 WeakPolarHBondContact O-CB 3.27Å; F521-S524 PolarHBondContact O-N 3.44Å; F521-L529 HydrophobicContact CB-CD1 4.31Å; F521-L529 HydrophobicContact CB-CD2 4.38Å; F521-L529 HydrophobicContact CB-CG 4.14Å; F521-L529 HydrophobicContact CD1-CD1 4.5Å; F521-L529 HydrophobicContact CD1-CD2 3.78Å; F521-L529 HydrophobicContact CD1-CG 4.39Å; F521-L529 HydrophobicContact CG-CD1 4.42Å; F521-L529 HydrophobicContact CG-CD2 4.38Å; F521-A533 HydrophobicContact CB-CB 4.18Å
522	L	98.3	Very high	97.6	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.063	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-62.4	-11.7	166	-64.2	178	0	0	0	113	L519 V520 V530 A533 L534 P560 I561 C564	L519-L522 HydrophobicContact CB-CD1 4.48Å; L519-L522 HydrophobicContact CD2-CD1 3.8Å; L519-L522 HydrophobicContact CD2-CG 4.39Å; L519-L522 WeakPolarHBondContact O-CB 3.44Å; L519-L522 WeakPolarHBondContact O-CG 3.5Å; L519-L522 PolarHBondContact O-N 3.42Å; V520-L522 PolarHBondContact O-N 3.43Å; V520-L522 VanDerWaalsContact O-N 3.17Å; L522-V530 HydrophobicContact CD2-CG1 3.84Å; L522-A533 HydrophobicContact CD2-CB 4.36Å; L522-L534 HydrophobicContact CD2-CB 4.34Å; L522-P560 HydrophobicContact CD1-CB 4.31Å; L522-I561 HydrophobicContact CD1-CG1 3.99Å; L522-C564 HydrophobicContact CB-CB 4.3Å; L522-C564 HydrophobicContact CD1-CB 4.39Å
523	Q	97.4	Very high	97.8	Very high	92 Å²	92	32 Å²	32	43%	0.43	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-91.5	-1.9	174.7	-57	172.7	36.3	0	0	113.1	G474 V520 F521	G474-Q523 PolarHBondContact O-NE2 2.95Å; V520-Q523 WeakPolarHBondContact O-CB 3.23Å; V520-Q523 WeakPolarHBondContact O-CG 3.37Å; V520-Q523 PolarHBondContact O-N 3.49Å; V520-Q523 VanDerWaalsContact O-N 3.07Å; F521-Q523 PolarHBondContact O-N 2.86Å; F521-Q523 VanDerWaalsContact O-N 3.1Å
524	S	97.9	Very high	97.9	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.084	15%	0.149	C	C	.	.			trans	-67.3	147.4	-178.3	179.9	0	0	0	0	111.7	D479 F521 H526 V530	D479-S524 PolarHBondContact OD1-OG 2.87Å; D479-S524 WeakPolarHBondContact OD2-CA 3.42Å; D479-S524 PolarHBondContact OD2-OG 2.86Å; F521-S524 VanDerWaalsContact O-CB 3.29Å; F521-S524 WeakPolarHBondContact O-CB 3.27Å; F521-S524 PolarHBondContact O-N 3.44Å; S524-H526 PolarHBondContact O-N 3.1Å; S524-H526 PolarHBondContact OG-N 3.36Å; S524-V530 WeakPolarHBondContact O-CG2 3.44Å
525	R	96.1	Very high	98	Very high	176 Å²	176	35.4 Å²	35.4	66%	0.664	17%	0.17	S	C	*	.	S	Bend	trans	-73.6	-11.9	169.9	72.7	-165.7	179.6	155.8	3.9	113.4	D479	D479-R525 PolarHBondContact O-NE 2.79Å; D479-R525 VanDerWaalsContact O-NE 3.09Å; D479-R525 PolarHBondContact O-NH2 2.63Å; D479-R525 WeakPolarHBondContact OD2-CG 3.44Å; D479-R525 PolarHBondContact OD2-N 3.44Å
526	H	97.6	Very high	98	Very high	26 Å²	26	35.3 Å²	35.3	12%	0.12	17%	0.169	C	C	.	.			trans	-95.2	107.1	-177.5	-63.2	-71.9	0	0	0	110.2	D479 A484 S524 F528 L529 V530	D479-H526 IonicContact OD1-CD2 3.47Å; A484-H526 HydrophobicContact CB-CB 4.07Å; A484-H526 VanDerWaalsContact CB-CD2 3.48Å; A484-H526 WeakPolarHBondContact CB-CD2 3.47Å; S524-H526 PolarHBondContact O-N 3.1Å; S524-H526 PolarHBondContact OG-N 3.36Å; H526-F528 VanDerWaalsContact C-N 3.3Å; H526-F528 HydrophobicContact CB-CD1 4.17Å; H526-F528 HydrophobicContact CB-CE1 3.67Å; H526-F528 HydrophobicContact CB-CE2 4.42Å; H526-F528 HydrophobicContact CB-CZ 3.81Å; H526-F528 AromaticContact ND1-CE1 3.99Å; H526-F528 PolarHBondContact O-N 3.3Å; H526-L529 HydrophobicContact CB-CB 4.23Å; H526-L529 WeakPolarHBondContact O-CB 3.37Å; H526-L529 PolarHBondContact O-N 2.95Å; H526-V530 PolarHBondContact O-N 3.1Å
527	S	96.5	Very high	98.1	Very high	88 Å²	88	34.1 Å²	34.1	62%	0.615	16%	0.16	S	C	*	.	H	α-helix	trans	-57.4	-38.4	-174.1	55.3	0	0	0	0	113.9	L529 V530 L531	S527-L529 VanDerWaalsContact C-N 3.29Å; S527-L529 PolarHBondContact O-N 3.47Å; S527-V530 PolarHBondContact O-N 3.24Å; S527-L531 WeakPolarHBondContact O-CG 3.24Å; S527-L531 PolarHBondContact O-N 3.13Å
528	F	97.5	Very high	98.1	Very high	73 Å²	73	33.3 Å²	33.3	32%	0.32	16%	0.155	S	C	.	.	H	α-helix	trans	-62.1	-35.6	177.2	64.1	-98.1	0	0	0	112.5	Y481 A484 N485 S488 H526 G532	Y481-F528 HydrophobicContact CE2-CE1 4.34Å; Y481-F528 HydrophobicContact CE2-CZ 4.46Å; A484-F528 HydrophobicContact CB-CE2 4.06Å; A484-F528 HydrophobicContact CB-CZ 3.86Å; N485-F528 WeakPolarHBondContact OD1-CE2 3.44Å; N485-F528 WeakPolarHBondContact OD1-CZ 3.29Å; S488-F528 WeakPolarHBondContact OG-CD2 2.97Å; S488-F528 WeakPolarHBondContact OG-CE2 3.21Å; H526-F528 VanDerWaalsContact C-N 3.3Å; H526-F528 HydrophobicContact CB-CD1 4.17Å; H526-F528 HydrophobicContact CB-CE1 3.67Å; H526-F528 HydrophobicContact CB-CE2 4.42Å; H526-F528 HydrophobicContact CB-CZ 3.81Å; H526-F528 AromaticContact ND1-CE1 3.99Å; H526-F528 PolarHBondContact O-N 3.3Å; F528-G532 PolarHBondContact O-N 3.35Å
529	L	98.5	Very high	98.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-73.6	-40	178.5	174.8	57.6	0	0	0	111.2	A484 I487 L491 F521 H526 S527 L531 G532 A533	A484-L529 HydrophobicContact CB-CD2 3.85Å; I487-L529 HydrophobicContact CB-CD1 4.07Å; I487-L529 HydrophobicContact CG2-CD1 3.55Å; L491-L529 HydrophobicContact CD1-CD1 3.67Å; F521-L529 HydrophobicContact CB-CD1 4.31Å; F521-L529 HydrophobicContact CB-CD2 4.38Å; F521-L529 HydrophobicContact CB-CG 4.14Å; F521-L529 HydrophobicContact CD1-CD1 4.5Å; F521-L529 HydrophobicContact CD1-CD2 3.78Å; F521-L529 HydrophobicContact CD1-CG 4.39Å; F521-L529 HydrophobicContact CG-CD1 4.42Å; F521-L529 HydrophobicContact CG-CD2 4.38Å; H526-L529 HydrophobicContact CB-CB 4.23Å; H526-L529 WeakPolarHBondContact O-CB 3.37Å; H526-L529 PolarHBondContact O-N 2.95Å; S527-L529 VanDerWaalsContact C-N 3.29Å; S527-L529 PolarHBondContact O-N 3.47Å; L529-L531 VanDerWaalsContact C-N 3.31Å; L529-L531 PolarHBondContact O-N 3.46Å; L529-G532 PolarHBondContact O-N 3.05Å; L529-A533 PolarHBondContact O-N 3.01Å
530	V	98.4	Very high	98.1	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-46.8	172.9	177.6	0	0	0	0	110.2	L522 S524 H526 S527 A533 L534 L575	L522-V530 HydrophobicContact CD2-CG1 3.84Å; S524-V530 WeakPolarHBondContact O-CG2 3.44Å; H526-V530 PolarHBondContact O-N 3.1Å; S527-V530 PolarHBondContact O-N 3.24Å; V530-A533 PolarHBondContact O-N 3.04Å; V530-L534 PolarHBondContact O-N 3.32Å; V530-L534 VanDerWaalsContact O-N 3.09Å; V530-L575 HydrophobicContact CG1-CD1 3.57Å; V530-L575 HydrophobicContact CG1-CD2 4.03Å; V530-L575 HydrophobicContact CG1-CG 4.46Å
531	L	98.4	Very high	98	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.188	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-38.6	176.1	-71	168.5	0	0	0	112.4	S527 L529 L534 R535 L574 L575 A578	S527-L531 WeakPolarHBondContact O-CG 3.24Å; S527-L531 PolarHBondContact O-N 3.13Å; L529-L531 VanDerWaalsContact C-N 3.31Å; L529-L531 PolarHBondContact O-N 3.46Å; L531-L534 PolarHBondContact O-N 3.18Å; L531-R535 WeakPolarHBondContact O-CB 3.12Å; L531-R535 PolarHBondContact O-N 2.96Å; L531-L574 HydrophobicContact CD1-CB 4.38Å; L531-L574 HydrophobicContact CD1-CD2 3.47Å; L531-L574 VanDerWaalsContact CD1-CD2 3.47Å; L531-L574 HydrophobicContact CD1-CG 3.79Å; L531-L574 HydrophobicContact CD2-CG 4.17Å; L531-L575 HydrophobicContact CD2-CD1 4.23Å; L531-A578 HydrophobicContact CD2-CB 3.9Å
532	G	98.4	Very high	98	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-44	175	0	0	0	0	0	112.8	F528 L529 R535 L536	F528-G532 PolarHBondContact O-N 3.35Å; L529-G532 PolarHBondContact O-N 3.05Å; G532-R535 PolarHBondContact O-N 3.26Å; G532-L536 PolarHBondContact O-N 3.49Å
533	A	98.6	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-43.4	176.5	0	0	0	0	0	111.9	L491 V518 F521 L522 L529 V530 L536 F537	L491-A533 HydrophobicContact CD1-CB 4.26Å; V518-A533 HydrophobicContact CG1-CB 3.92Å; F521-A533 HydrophobicContact CB-CB 4.18Å; L522-A533 HydrophobicContact CD2-CB 4.36Å; L529-A533 PolarHBondContact O-N 3.01Å; V530-A533 PolarHBondContact O-N 3.04Å; A533-L536 PolarHBondContact O-N 2.8Å; A533-F537 PolarHBondContact O-N 3.18Å; A533-F537 VanDerWaalsContact O-N 3.14Å
534	L	98.6	Very high	97.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-41	176.4	-172.6	64	0	0	0	111.7	L522 V530 L531 F537 R538 L575 A578 M579 L582	L522-L534 HydrophobicContact CD2-CB 4.34Å; V530-L534 PolarHBondContact O-N 3.32Å; V530-L534 VanDerWaalsContact O-N 3.09Å; L531-L534 PolarHBondContact O-N 3.18Å; L534-F537 PolarHBondContact O-N 2.86Å; L534-R538 WeakPolarHBondContact O-CB 3.36Å; L534-R538 PolarHBondContact O-N 2.98Å; L534-L575 HydrophobicContact CD2-CD1 4.19Å; L534-A578 HydrophobicContact CD2-CB 3.67Å; L534-M579 HydrophobicContact CD2-CG 3.72Å; L534-L582 HydrophobicContact CD1-CD2 3.81Å
535	R	98.5	Very high	97.7	Very high	117 Å²	117	47.2 Å²	47.2	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-48.4	176	-179.6	171.6	66.3	-153.2	2.8	111.1	D492 L531 G532 F537 R538 R539	D492-R535 IonicContact OD1-CZ 2.93Å; D492-R535 IonicContact OD1-NE 3.35Å; D492-R535 IonicContact OD1-NH2 3.83Å; D492-R535 PolarHBondContact OD1-NH2 3.32Å; D492-R535 IonicContact OD2-NH2 3.01Å; D492-R535 PolarHBondContact OD2-NH2 3.17Å; L531-R535 WeakPolarHBondContact O-CB 3.12Å; L531-R535 PolarHBondContact O-N 2.96Å; G532-R535 PolarHBondContact O-N 3.26Å; R535-F537 VanDerWaalsContact C-N 3.34Å; R535-F537 PolarHBondContact O-N 3.48Å; R535-R538 WeakPolarHBondContact O-CB 3.24Å; R535-R538 PolarHBondContact O-N 2.89Å; R535-R539 HydrophobicContact CG-CG 4.48Å; R535-R539 WeakPolarHBondContact O-CG 3.3Å; R535-R539 PolarHBondContact O-N 3.2Å
536	L	98.7	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-46.1	176.5	-175.2	159.2	0	0	0	111.5	L491 L494 I498 L515 V518 G532 A533 R538 R539 T540	L491-L536 HydrophobicContact CB-CD1 4.32Å; L491-L536 HydrophobicContact CD2-CD1 3.79Å; L494-L536 HydrophobicContact CB-CD1 3.74Å; L494-L536 HydrophobicContact CD1-CD1 4.35Å; I498-L536 HydrophobicContact CD1-CD1 4.38Å; I498-L536 HydrophobicContact CD1-CD2 3.7Å; I498-L536 HydrophobicContact CD1-CG 3.96Å; L515-L536 HydrophobicContact CD2-CD2 3.66Å; V518-L536 HydrophobicContact CG1-CD1 4.37Å; V518-L536 HydrophobicContact CG1-CD2 4.24Å; V518-L536 HydrophobicContact CG2-CD1 4.29Å; G532-L536 PolarHBondContact O-N 3.49Å; A533-L536 PolarHBondContact O-N 2.8Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 2.95Å; L536-R539 PolarHBondContact O-N 3.34Å; L536-T540 PolarHBondContact O-N 3.3Å; L536-T540 PolarHBondContact O-OG1 2.98Å
537	F	98.6	Very high	97.7	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.1	-174.1	-95.6	0	0	0	111.6	L519 A533 L534 R535 R539 T540 L541 I552 L557 F558 I561 L582	L519-F537 HydrophobicContact CD1-CD2 3.93Å; L519-F537 HydrophobicContact CD1-CE2 3.98Å; L519-F537 HydrophobicContact CD2-CB 4.23Å; L519-F537 HydrophobicContact CD2-CD2 4.04Å; L519-F537 HydrophobicContact CD2-CG 4.19Å; L519-F537 HydrophobicContact CG-CD2 4.31Å; A533-F537 PolarHBondContact O-N 3.18Å; A533-F537 VanDerWaalsContact O-N 3.14Å; L534-F537 PolarHBondContact O-N 2.86Å; R535-F537 VanDerWaalsContact C-N 3.34Å; R535-F537 PolarHBondContact O-N 3.48Å; F537-R539 PolarHBondContact O-N 3.04Å; F537-T540 WeakPolarHBondContact O-CB 3.49Å; F537-T540 PolarHBondContact O-N 3.04Å; F537-L541 HydrophobicContact CD1-CD1 4.33Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.83Å; F537-L541 HydrophobicContact CE1-CG 4.13Å; F537-L541 PolarHBondContact O-N 3.1Å; F537-I552 HydrophobicContact CE2-CD1 3.87Å; F537-I552 HydrophobicContact CE2-CG1 3.96Å; F537-I552 HydrophobicContact CE2-CG2 4.33Å; F537-I552 HydrophobicContact CZ-CD1 3.98Å; F537-I552 HydrophobicContact CZ-CG1 4.26Å; F537-I552 HydrophobicContact CZ-CG2 3.92Å; F537-L557 HydrophobicContact CE2-CB 4.14Å; F537-F558 HydrophobicContact CE1-CE1 4.24Å; F537-F558 HydrophobicContact CE1-CE2 4.47Å; F537-F558 AromaticContact CE1-CZ 3.97Å; F537-F558 HydrophobicContact CE1-CZ 3.97Å; F537-F558 HydrophobicContact CZ-CE2 4.15Å; F537-F558 HydrophobicContact CZ-CZ 4.12Å; F537-I561 HydrophobicContact CD1-CD1 3.54Å; F537-I561 HydrophobicContact CD2-CD1 4.38Å; F537-I561 HydrophobicContact CE1-CD1 3.28Å; F537-I561 HydrophobicContact CE2-CD1 4.17Å; F537-I561 HydrophobicContact CG-CD1 4.09Å; F537-I561 HydrophobicContact CZ-CD1 3.63Å; F537-L582 HydrophobicContact CD1-CD1 4.05Å; F537-L582 HydrophobicContact CD1-CD2 4.02Å; F537-L582 HydrophobicContact CE1-CD1 4.31Å; F537-L582 HydrophobicContact CE1-CD2 4.15Å
538	R	98.2	Very high	97.8	Very high	35 Å²	35	41.6 Å²	41.6	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-40.5	176.2	176.6	60.2	-177.1	81.1	10.9	112.9	L534 R535 L536 L541 N542 E581 L582 F585	L534-R538 WeakPolarHBondContact O-CB 3.36Å; L534-R538 PolarHBondContact O-N 2.98Å; R535-R538 WeakPolarHBondContact O-CB 3.24Å; R535-R538 PolarHBondContact O-N 2.89Å; L536-R538 VanDerWaalsContact C-N 3.34Å; L536-R538 PolarHBondContact O-N 2.95Å; R538-L541 PolarHBondContact O-N 2.94Å; R538-N542 PolarHBondContact O-N 3.14Å; R538-N542 VanDerWaalsContact O-N 3.09Å; R538-E581 WeakPolarHBondContact CD-OE2 3.31Å; R538-E581 IonicContact CZ-OE1 2.61Å; R538-E581 IonicContact CZ-OE2 3.29Å; R538-E581 IonicContact NE-OE1 2.8Å; R538-E581 PolarHBondContact NE-OE1 2.99Å; R538-E581 IonicContact NE-OE2 3.41Å; R538-E581 PolarHBondContact NE-OE2 3.35Å; R538-E581 IonicContact NH2-OE1 3.21Å; R538-E581 PolarHBondContact NH2-OE1 3.4Å; R538-L582 HydrophobicContact CB-CD1 4.03Å; R538-L582 HydrophobicContact CG-CD1 4.36Å; R538-F585 VanDerWaalsContact CZ-CD1 3.4Å; R538-F585 VanDerWaalsContact NH1-CD1 3.27Å; R538-F585 VanDerWaalsContact NH1-CZ 3.26Å; R538-F585 VanDerWaalsContact NH2-CE2 3.33Å
539	R	98.2	Very high	97.9	Very high	106 Å²	106	38.4 Å²	38.4	40%	0.4	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-36.5	174.9	-67.4	-47.7	-173.4	135.7	-11.5	112.4	T495 E499 R535 L536 F537 L541 N542	T495-R539 HydrophobicContact CG2-CB 3.86Å; T495-R539 HydrophobicContact CG2-CG 3.57Å; E499-R539 VanDerWaalsContact OE1-CD 3.29Å; E499-R539 WeakPolarHBondContact OE1-CD 3.42Å; E499-R539 IonicContact OE1-CZ 2.8Å; E499-R539 IonicContact OE1-NE 3.9Å; E499-R539 IonicContact OE1-NH1 3.6Å; E499-R539 PolarHBondContact OE1-NH1 3.16Å; R535-R539 HydrophobicContact CG-CG 4.48Å; R535-R539 WeakPolarHBondContact O-CG 3.3Å; R535-R539 PolarHBondContact O-N 3.2Å; L536-R539 PolarHBondContact O-N 3.34Å; F537-R539 PolarHBondContact O-N 3.04Å; R539-L541 VanDerWaalsContact C-N 3.35Å; R539-L541 PolarHBondContact O-N 3.41Å; R539-N542 WeakPolarHBondContact O-CB 3.3Å; R539-N542 PolarHBondContact O-N 3.23Å; R539-N542 VanDerWaalsContact O-N 3.15Å
540	T	98.3	Very high	97.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.4	-51.7	0	0	0	0	111.3	L515 L536 F537 N542 L543 Y548	L515-T540 HydrophobicContact CD1-CG2 4.06Å; L515-T540 HydrophobicContact CD2-CG2 4.4Å; L536-T540 PolarHBondContact O-N 3.3Å; L536-T540 PolarHBondContact O-OG1 2.98Å; F537-T540 WeakPolarHBondContact O-CB 3.49Å; F537-T540 PolarHBondContact O-N 3.04Å; T540-N542 PolarHBondContact O-N 2.88Å; T540-L543 WeakPolarHBondContact O-CB 3.44Å; T540-L543 PolarHBondContact O-N 3.39Å; T540-Y548 HydrophobicContact CG2-CD1 3.63Å; T540-Y548 HydrophobicContact CG2-CD2 3.91Å; T540-Y548 HydrophobicContact CG2-CE1 3.93Å; T540-Y548 HydrophobicContact CG2-CE2 4.19Å; T540-Y548 HydrophobicContact CG2-CG 3.62Å
541	L	97.8	Very high	97.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-28.3	176.2	-68	-167.5	0	0	0	113.3	F537 R538 R539 L543 R544 I552 F558 L582 F585 I586 L594	F537-L541 HydrophobicContact CD1-CD1 4.33Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.83Å; F537-L541 HydrophobicContact CE1-CG 4.13Å; F537-L541 PolarHBondContact O-N 3.1Å; R538-L541 PolarHBondContact O-N 2.94Å; R539-L541 VanDerWaalsContact C-N 3.35Å; R539-L541 PolarHBondContact O-N 3.41Å; L541-L543 PolarHBondContact O-N 3.03Å; L541-R544 PolarHBondContact O-N 2.79Å; L541-I552 HydrophobicContact CD2-CD1 3.43Å; L541-I552 VanDerWaalsContact CD2-CD1 3.43Å; L541-F558 HydrophobicContact CD1-CZ 4.4Å; L541-L582 HydrophobicContact CD1-CD1 3.61Å; L541-F585 HydrophobicContact CB-CE1 4.18Å; L541-I586 HydrophobicContact CD1-CD1 3.83Å; L541-I586 HydrophobicContact CD1-CG1 3.99Å; L541-L594 HydrophobicContact CD1-CD1 4.06Å; L541-L594 HydrophobicContact CD2-CD1 3.57Å; L541-L594 HydrophobicContact CG-CD1 4.46Å
542	N	97.4	Very high	97.8	Very high	71 Å²	71	40.6 Å²	40.6	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-29.7	179.1	-164	63.5	0	0	0	112.9	R538 R539 T540 R544 F585	R538-N542 PolarHBondContact O-N 3.14Å; R538-N542 VanDerWaalsContact O-N 3.09Å; R539-N542 WeakPolarHBondContact O-CB 3.3Å; R539-N542 PolarHBondContact O-N 3.23Å; R539-N542 VanDerWaalsContact O-N 3.15Å; T540-N542 PolarHBondContact O-N 2.88Å; N542-R544 PolarHBondContact O-N 3.25Å; N542-F585 HydrophobicContact CB-CZ 4.41Å
543	L	96.3	Very high	97.8	Very high	68 Å²	68	42.8 Å²	42.8	36%	0.356	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.7	177.2	-58.2	179.1	0	0	0	113.2	I498 T540 L541 D545 Y548	I498-L543 HydrophobicContact CG2-CD1 3.7Å; I498-L543 WeakPolarHBondContact O-CD1 3.22Å; T540-L543 WeakPolarHBondContact O-CB 3.44Å; T540-L543 PolarHBondContact O-N 3.39Å; L541-L543 PolarHBondContact O-N 3.03Å; L543-D545 HydrophobicContact CB-CB 4.2Å; L543-D545 PolarHBondContact O-N 3.39Å; L543-Y548 HydrophobicContact CD1-CD2 4.21Å; L543-Y548 HydrophobicContact CD1-CE2 3.88Å
544	R	95.5	Very high	97.8	Very high	143 Å²	143	45.5 Å²	45.5	54%	0.54	23%	0.232	S	C	.	.			trans	49.9	29.5	-174	-61.6	176.8	-68.2	-170.7	3.7	112.9	L541 N542 E589 I591	L541-R544 PolarHBondContact O-N 2.79Å; N542-R544 PolarHBondContact O-N 3.25Å; R544-E589 IonicContact CZ-OE2 3.71Å; R544-E589 IonicContact NH1-OE2 2.7Å; R544-E589 PolarHBondContact NH1-OE2 3.05Å; R544-I591 HydrophobicContact CG-CD1 4.21Å; R544-I591 HydrophobicContact CG-CG1 4.49Å
545	D	96	Very high	97.7	Very high	33 Å²	33	50.3 Å²	50.3	18%	0.176	26%	0.255	C	S	.	.			trans	-76.5	125.2	-178.8	179.2	-65.3	0	0	0	110.2	R506 L543 V547 Y548 I549	R506-D545 WeakPolarHBondContact CD-OD2 3.29Å; R506-D545 IonicContact CZ-OD2 3.63Å; R506-D545 IonicContact NE-OD2 2.88Å; R506-D545 IonicContact NH1-OD2 3.5Å; R506-D545 PolarHBondContact NH1-OD2 2.69Å; L543-D545 HydrophobicContact CB-CB 4.2Å; L543-D545 PolarHBondContact O-N 3.39Å; D545-V547 VanDerWaalsContact C-N 3.29Å; D545-V547 PolarHBondContact O-N 2.9Å; D545-V547 WeakPolarHBondContact OD1-CA 3.23Å; D545-V547 VanDerWaalsContact OD1-CB 3.24Å; D545-V547 WeakPolarHBondContact OD1-CB 3.35Å; D545-V547 PolarHBondContact OD1-N 3.45Å; D545-Y548 HydrophobicContact CB-CD2 3.85Å; D545-Y548 PolarHBondContact O-N 3.18Å; D545-Y548 PolarHBondContact OD1-N 2.79Å; D545-Y548 VanDerWaalsContact OD1-N 3.13Å; D545-I549 WeakPolarHBondContact O-CG1 3.27Å; D545-I549 PolarHBondContact O-N 3.44Å
546	D	96.9	Very high	97.6	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-31.8	-176.1	-90.7	-43.3	0	0	0	113.6	S550 K593	D546-S550 VanDerWaalsContact O-CB 3.27Å; D546-S550 WeakPolarHBondContact O-CB 3.43Å; D546-S550 PolarHBondContact O-N 2.92Å; D546-S550 PolarHBondContact O-OG 2.9Å; D546-K593 IonicContact OD1-NZ 2.71Å; D546-K593 PolarHBondContact OD1-NZ 3.42Å; D546-K593 IonicContact OD2-NZ 3.99Å
547	V	97.3	Very high	97.6	Very high	72 Å²	72	52 Å²	52	44%	0.436	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-44.6	179.3	-177.5	0	0	0	0	109.8	I510 D545 S550 H551	I510-V547 HydrophobicContact CD1-CG1 4.31Å; I510-V547 HydrophobicContact CG1-CG1 4.17Å; D545-V547 VanDerWaalsContact C-N 3.29Å; D545-V547 PolarHBondContact O-N 2.9Å; D545-V547 WeakPolarHBondContact OD1-CA 3.23Å; D545-V547 VanDerWaalsContact OD1-CB 3.24Å; D545-V547 WeakPolarHBondContact OD1-CB 3.35Å; D545-V547 PolarHBondContact OD1-N 3.45Å; V547-S550 PolarHBondContact O-N 3.41Å; V547-H551 WeakPolarHBondContact O-CB 3.43Å; V547-H551 PolarHBondContact O-N 3.4Å
548	Y	98.1	Very high	97.6	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-45.5	173.8	-80.6	-56.7	0	0	0	111.5	R506 M509 I510 L515 T540 L543 D545 S550 H551 I552	R506-Y548 VanDerWaalsContact CA-OH 3.3Å; R506-Y548 WeakPolarHBondContact CA-OH 3.27Å; R506-Y548 HydrophobicContact CB-CE2 4.11Å; R506-Y548 HydrophobicContact CG-CD2 4.42Å; R506-Y548 HydrophobicContact CG-CE1 4.46Å; R506-Y548 HydrophobicContact CG-CE2 3.98Å; M509-Y548 HydrophobicContact CB-CE1 3.85Å; M509-Y548 HydrophobicContact CG-CE1 4.36Å; I510-Y548 HydrophobicContact CD1-CD1 3.91Å; I510-Y548 HydrophobicContact CD1-CE1 4.22Å; L515-Y548 HydrophobicContact CD1-CD1 4.12Å; L515-Y548 HydrophobicContact CD1-CE1 4.47Å; T540-Y548 HydrophobicContact CG2-CD1 3.63Å; T540-Y548 HydrophobicContact CG2-CD2 3.91Å; T540-Y548 HydrophobicContact CG2-CE1 3.93Å; T540-Y548 HydrophobicContact CG2-CE2 4.19Å; T540-Y548 HydrophobicContact CG2-CG 3.62Å; L543-Y548 HydrophobicContact CD1-CD2 4.21Å; L543-Y548 HydrophobicContact CD1-CE2 3.88Å; D545-Y548 HydrophobicContact CB-CD2 3.85Å; D545-Y548 PolarHBondContact O-N 3.18Å; D545-Y548 PolarHBondContact OD1-N 2.79Å; D545-Y548 VanDerWaalsContact OD1-N 3.13Å; Y548-S550 PolarHBondContact O-N 3.32Å; Y548-H551 PolarHBondContact O-N 2.85Å; Y548-I552 WeakPolarHBondContact O-CB 3.38Å; Y548-I552 WeakPolarHBondContact O-CD1 3.46Å; Y548-I552 WeakPolarHBondContact O-CG1 3.27Å; Y548-I552 PolarHBondContact O-N 3.29Å
549	I	98.3	Very high	97.6	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-47.7	178	-70.7	165.4	0	0	0	111	D545 H551 I552 I553 I591 K593 L594	D545-I549 WeakPolarHBondContact O-CG1 3.27Å; D545-I549 PolarHBondContact O-N 3.44Å; I549-H551 VanDerWaalsContact C-N 3.33Å; I549-H551 PolarHBondContact O-N 3.16Å; I549-I552 PolarHBondContact O-N 3.22Å; I549-I553 HydrophobicContact CG2-CD1 3.93Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.05Å; I549-I591 HydrophobicContact CD1-CG2 3.63Å; I549-I591 HydrophobicContact CG1-CG2 4.38Å; I549-K593 HydrophobicContact CG2-CB 3.89Å; I549-K593 HydrophobicContact CG2-CD 4.07Å; I549-L594 HydrophobicContact CG1-CD1 4.27Å; I549-L594 HydrophobicContact CG1-CG 4.41Å; I549-L594 HydrophobicContact CG2-CD2 3.96Å; I549-L594 HydrophobicContact CG2-CG 3.93Å
550	S	98.1	Very high	97.6	Very high	67 Å²	67	50.5 Å²	50.5	47%	0.469	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-38.9	177.9	-79.6	0	0	0	0	112.4	D546 V547 Y548 G554	D546-S550 VanDerWaalsContact O-CB 3.27Å; D546-S550 WeakPolarHBondContact O-CB 3.43Å; D546-S550 PolarHBondContact O-N 2.92Å; D546-S550 PolarHBondContact O-OG 2.9Å; V547-S550 PolarHBondContact O-N 3.41Å; Y548-S550 PolarHBondContact O-N 3.32Å; S550-G554 PolarHBondContact O-N 3.28Å
551	H	98.1	Very high	97.6	Very high	25 Å²	25	50.5 Å²	50.5	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-44.2	175.1	-175	81.1	0	0	0	112.3	I510 D513 V547 Y548 I549 I553 G554 Q555	I510-H551 HydrophobicContact CD1-CB 3.45Å; I510-H551 VanDerWaalsContact CD1-CB 3.45Å; I510-H551 VanDerWaalsContact CD1-CG 3.46Å; D513-H551 IonicContact OD1-CE1 2.72Å; D513-H551 PolarHBondContact OD1-CE1 3.26Å; D513-H551 IonicContact OD1-NE2 3.16Å; D513-H551 PolarHBondContact OD1-NE2 2.89Å; V547-H551 WeakPolarHBondContact O-CB 3.43Å; V547-H551 PolarHBondContact O-N 3.4Å; Y548-H551 PolarHBondContact O-N 2.85Å; I549-H551 VanDerWaalsContact C-N 3.33Å; I549-H551 PolarHBondContact O-N 3.16Å; H551-I553 VanDerWaalsContact C-N 3.32Å; H551-I553 PolarHBondContact O-N 3.26Å; H551-G554 PolarHBondContact O-N 3.47Å; H551-Q555 VanDerWaalsContact CE1-CG 3.5Å; H551-Q555 WeakPolarHBondContact CE1-CG 3.47Å; H551-Q555 WeakPolarHBondContact O-CB 3.34Å; H551-Q555 WeakPolarHBondContact O-CG 3.4Å; H551-Q555 PolarHBondContact O-N 2.9Å
552	I	98.5	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-44.5	177.4	-74.9	166.4	0	0	0	111.2	L515 F537 L541 Y548 I549 R556 L557 F558 L594	L515-I552 HydrophobicContact CD1-CD1 4.37Å; L515-I552 HydrophobicContact CD1-CG1 4.15Å; F537-I552 HydrophobicContact CE2-CD1 3.87Å; F537-I552 HydrophobicContact CE2-CG1 3.96Å; F537-I552 HydrophobicContact CE2-CG2 4.33Å; F537-I552 HydrophobicContact CZ-CD1 3.98Å; F537-I552 HydrophobicContact CZ-CG1 4.26Å; F537-I552 HydrophobicContact CZ-CG2 3.92Å; L541-I552 HydrophobicContact CD2-CD1 3.43Å; L541-I552 VanDerWaalsContact CD2-CD1 3.43Å; Y548-I552 WeakPolarHBondContact O-CB 3.38Å; Y548-I552 WeakPolarHBondContact O-CD1 3.46Å; Y548-I552 WeakPolarHBondContact O-CG1 3.27Å; Y548-I552 PolarHBondContact O-N 3.29Å; I549-I552 PolarHBondContact O-N 3.22Å; I552-R556 PolarHBondContact O-N 3.44Å; I552-L557 HydrophobicContact CG1-CD1 4.02Å; I552-L557 HydrophobicContact CG2-CB 4.24Å; I552-L557 PolarHBondContact O-N 3.16Å; I552-F558 HydrophobicContact CG2-CD2 3.84Å; I552-F558 HydrophobicContact CG2-CE2 3.57Å; I552-L594 HydrophobicContact CG2-CD2 4.06Å
553	I	98.4	Very high	97.5	Very high	48 Å²	48	54.3 Å²	54.3	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-48.8	176.3	-65.8	169.8	0	0	0	110.4	I549 H551 Q555 R556 K593 L594 H597	I549-I553 HydrophobicContact CG2-CD1 3.93Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.05Å; H551-I553 VanDerWaalsContact C-N 3.32Å; H551-I553 PolarHBondContact O-N 3.26Å; I553-Q555 VanDerWaalsContact C-N 3.35Å; I553-Q555 PolarHBondContact O-N 3.25Å; I553-R556 PolarHBondContact O-N 3.16Å; I553-R556 VanDerWaalsContact O-N 3.12Å; I553-K593 HydrophobicContact CD1-CB 3.9Å; I553-L594 HydrophobicContact CD1-CD2 4.04Å; I553-L594 HydrophobicContact CG1-CD2 3.75Å; I553-H597 HydrophobicContact CD1-CB 4.28Å; I553-H597 HydrophobicContact CG1-CB 4.08Å
554	G	97.3	Very high	97.5	Very high	57 Å²	57	52 Å²	52	59%	0.588	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-39.7	-175.9	0	0	0	0	0	113.4	S550 H551	S550-G554 PolarHBondContact O-N 3.28Å; H551-G554 PolarHBondContact O-N 3.47Å
555	Q	97.2	Very high	97.6	Very high	104 Å²	104	45.6 Å²	45.6	49%	0.486	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.7	177.3	-58.6	-56.4	-30.4	0	0	113.6	H551 I553 L557	H551-Q555 VanDerWaalsContact CE1-CG 3.5Å; H551-Q555 WeakPolarHBondContact CE1-CG 3.47Å; H551-Q555 WeakPolarHBondContact O-CB 3.34Å; H551-Q555 WeakPolarHBondContact O-CG 3.4Å; H551-Q555 PolarHBondContact O-N 2.9Å; I553-Q555 VanDerWaalsContact C-N 3.35Å; I553-Q555 PolarHBondContact O-N 3.25Å; Q555-L557 VanDerWaalsContact C-N 3.31Å; Q555-L557 HydrophobicContact CB-CD2 3.66Å; Q555-L557 HydrophobicContact CB-CG 3.87Å; Q555-L557 PolarHBondContact O-N 3.5Å
556	R	97.4	Very high	97.5	Very high	146 Å²	146	47.6 Å²	47.6	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.2	-178.7	-59.3	-174.6	172.9	-164.2	-4.7	113.5	I552 I553 F558 D559	I552-R556 PolarHBondContact O-N 3.44Å; I553-R556 PolarHBondContact O-N 3.16Å; I553-R556 VanDerWaalsContact O-N 3.12Å; R556-F558 PolarHBondContact O-N 3.05Å; R556-D559 VanDerWaalsContact O-CB 3.29Å; R556-D559 WeakPolarHBondContact O-CB 3.36Å; R556-D559 PolarHBondContact O-N 3.42Å
557	L	98.3	Very high	97.4	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.9	-174.2	-59.2	-170.6	0	0	0	114	L515 A516 L519 F537 I552 Q555 P560	L515-L557 HydrophobicContact CB-CD1 3.57Å; L515-L557 HydrophobicContact CD1-CD1 4.24Å; A516-L557 HydrophobicContact CB-CD2 3.73Å; L519-L557 HydrophobicContact CD1-CB 3.7Å; L519-L557 HydrophobicContact CD1-CD1 4.44Å; L519-L557 HydrophobicContact CD1-CD2 4.41Å; L519-L557 HydrophobicContact CD1-CG 4.4Å; L519-L557 WeakPolarHBondContact CD1-O 3.46Å; F537-L557 HydrophobicContact CE2-CB 4.14Å; I552-L557 HydrophobicContact CG1-CD1 4.02Å; I552-L557 HydrophobicContact CG2-CB 4.24Å; I552-L557 PolarHBondContact O-N 3.16Å; Q555-L557 VanDerWaalsContact C-N 3.31Å; Q555-L557 HydrophobicContact CB-CD2 3.66Å; Q555-L557 HydrophobicContact CB-CG 3.87Å; Q555-L557 PolarHBondContact O-N 3.5Å; L557-P560 WeakPolarHBondContact O-CD 3.23Å; L557-P560 WeakPolarHBondContact O-CG 3.44Å
558	F	98.4	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-77.6	-18.5	167.4	-80.9	-83.8	0	0	0	113.6	F537 L541 I552 R556 I561 V562 F583 I586 L594 I598 Y602	F537-F558 HydrophobicContact CE1-CE1 4.24Å; F537-F558 HydrophobicContact CE1-CE2 4.47Å; F537-F558 AromaticContact CE1-CZ 3.97Å; F537-F558 HydrophobicContact CE1-CZ 3.97Å; F537-F558 HydrophobicContact CZ-CE2 4.15Å; F537-F558 HydrophobicContact CZ-CZ 4.12Å; L541-F558 HydrophobicContact CD1-CZ 4.4Å; I552-F558 HydrophobicContact CG2-CD2 3.84Å; I552-F558 HydrophobicContact CG2-CE2 3.57Å; R556-F558 PolarHBondContact O-N 3.05Å; F558-I561 HydrophobicContact CD1-CD1 4.14Å; F558-I561 HydrophobicContact CE1-CD1 4.32Å; F558-I561 PolarHBondContact O-N 3.36Å; F558-I561 VanDerWaalsContact O-N 3.11Å; F558-V562 HydrophobicContact CB-CG2 4.39Å; F558-V562 WeakPolarHBondContact O-CB 3.37Å; F558-V562 WeakPolarHBondContact O-CG2 3.37Å; F558-V562 PolarHBondContact O-N 2.78Å; F558-F583 HydrophobicContact CD1-CE1 4.04Å; F558-F583 HydrophobicContact CD1-CZ 4.37Å; F558-F583 AromaticContact CE1-CE1 3.94Å; F558-F583 HydrophobicContact CE1-CE1 3.94Å; F558-F583 HydrophobicContact CE1-CZ 4.49Å; F558-I586 HydrophobicContact CE1-CD1 4Å; F558-I586 HydrophobicContact CZ-CD1 3.61Å; F558-L594 HydrophobicContact CE2-CD1 4.5Å; F558-L594 HydrophobicContact CE2-CD2 3.88Å; F558-I598 HydrophobicContact CD1-CD1 4.3Å; F558-I598 HydrophobicContact CD1-CG1 4.27Å; F558-I598 HydrophobicContact CD2-CG1 4.42Å; F558-I598 HydrophobicContact CE1-CD1 3.78Å; F558-I598 HydrophobicContact CE1-CG1 4.23Å; F558-I598 HydrophobicContact CE2-CD1 4.25Å; F558-I598 HydrophobicContact CE2-CG1 4.39Å; F558-I598 HydrophobicContact CG-CG1 4.37Å; F558-I598 HydrophobicContact CZ-CD1 3.76Å; F558-I598 HydrophobicContact CZ-CG1 4.3Å; F558-Y602 HydrophobicContact CB-CD2 4.23Å; F558-Y602 HydrophobicContact CB-CE2 3.57Å; F558-Y602 HydrophobicContact CG-CE2 4.5Å
559	D	98	Very high	96.7	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-51.2	-54.5	176.5	-74.5	1.7	0	0	0	112.6	R556 I561 K563 Y602	R556-D559 VanDerWaalsContact O-CB 3.29Å; R556-D559 WeakPolarHBondContact O-CB 3.36Å; R556-D559 PolarHBondContact O-N 3.42Å; D559-I561 VanDerWaalsContact C-N 3.32Å; D559-I561 PolarHBondContact O-N 2.85Å; D559-K563 VanDerWaalsContact O-CB 3.23Å; D559-K563 WeakPolarHBondContact O-CB 3.29Å; D559-K563 PolarHBondContact O-N 3.44Å; D559-Y602 WeakPolarHBondContact OD1-CE1 3.21Å; D559-Y602 VanDerWaalsContact OD1-CZ 3.27Å; D559-Y602 PolarHBondContact OD1-OH 2.75Å
560	P	97.6	Very high	96.1	Very high	36 Å²	36	54.6 Å²	54.6	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-31	178.1	26.9	-36.5	0	0	0	113.3	L519 L522 L557 C564	L519-P560 HydrophobicContact CB-CB 4.28Å; L519-P560 HydrophobicContact CB-CG 3.76Å; L519-P560 HydrophobicContact CD1-CG 3.98Å; L519-P560 HydrophobicContact CG-CG 4.39Å; L522-P560 HydrophobicContact CD1-CB 4.31Å; L557-P560 WeakPolarHBondContact O-CD 3.23Å; L557-P560 WeakPolarHBondContact O-CG 3.44Å; P560-C564 VanDerWaalsContact O-CB 3.27Å; P560-C564 WeakPolarHBondContact O-CB 3.22Å; P560-C564 PolarHBondContact O-N 2.66Å
561	I	98.2	Very high	95.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69.1	-50.4	179.5	-60.6	174.9	0	0	0	110.3	L519 L522 F537 F558 D559 K563 C564 F565 L582 F583	L519-I561 HydrophobicContact CD2-CD1 4.11Å; L519-I561 HydrophobicContact CD2-CG1 3.92Å; L522-I561 HydrophobicContact CD1-CG1 3.99Å; F537-I561 HydrophobicContact CD1-CD1 3.54Å; F537-I561 HydrophobicContact CD2-CD1 4.38Å; F537-I561 HydrophobicContact CE1-CD1 3.28Å; F537-I561 HydrophobicContact CE2-CD1 4.17Å; F537-I561 HydrophobicContact CG-CD1 4.09Å; F537-I561 HydrophobicContact CZ-CD1 3.63Å; F558-I561 HydrophobicContact CD1-CD1 4.14Å; F558-I561 HydrophobicContact CE1-CD1 4.32Å; F558-I561 PolarHBondContact O-N 3.36Å; F558-I561 VanDerWaalsContact O-N 3.11Å; D559-I561 VanDerWaalsContact C-N 3.32Å; D559-I561 PolarHBondContact O-N 2.85Å; I561-K563 VanDerWaalsContact C-N 3.33Å; I561-K563 PolarHBondContact O-N 2.8Å; I561-C564 PolarHBondContact O-N 2.71Å; I561-F565 PolarHBondContact O-N 3.27Å; I561-L582 HydrophobicContact CD1-CD2 4.09Å; I561-L582 HydrophobicContact CG2-CD2 4.1Å; I561-F583 HydrophobicContact CG2-CZ 4.23Å
562	V	97.8	Very high	95	Very high	6 Å²	6	61 Å²	61	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-42.4	178.3	176.1	0	0	0	0	109.9	F558 C564 F565 V566 Y602 N605 F606	F558-V562 HydrophobicContact CB-CG2 4.39Å; F558-V562 WeakPolarHBondContact O-CB 3.37Å; F558-V562 WeakPolarHBondContact O-CG2 3.37Å; F558-V562 PolarHBondContact O-N 2.78Å; V562-C564 VanDerWaalsContact C-N 3.32Å; V562-C564 PolarHBondContact O-N 2.88Å; V562-F565 PolarHBondContact O-N 3.37Å; V562-V566 HydrophobicContact CG1-CG2 4.42Å; V562-V566 WeakPolarHBondContact O-CG2 3.46Å; V562-V566 PolarHBondContact O-N 3.02Å; V562-Y602 HydrophobicContact CB-CD1 4.12Å; V562-Y602 HydrophobicContact CG1-CD1 4.08Å; V562-Y602 HydrophobicContact CG2-CD1 3.61Å; V562-Y602 HydrophobicContact CG2-CD2 4.26Å; V562-Y602 HydrophobicContact CG2-CE1 4.15Å; V562-Y602 HydrophobicContact CG2-CG 3.67Å; V562-N605 HydrophobicContact CG1-CB 3.73Å; V562-F606 HydrophobicContact CB-CZ 4.47Å; V562-F606 HydrophobicContact CG1-CZ 4.23Å; V562-F606 HydrophobicContact CG2-CE2 4.38Å; V562-F606 HydrophobicContact CG2-CZ 3.8Å
563	K	96.7	Very high	94.8	Very high	148 Å²	148	64 Å²	64	64%	0.643	34%	0.339	S	S	*	.	H	α-helix	trans	-59	-43.4	174.8	-176	-178.9	178.8	-176.7	0	111.9	D559 I561 A567	D559-K563 VanDerWaalsContact O-CB 3.23Å; D559-K563 WeakPolarHBondContact O-CB 3.29Å; D559-K563 PolarHBondContact O-N 3.44Å; I561-K563 VanDerWaalsContact C-N 3.33Å; I561-K563 PolarHBondContact O-N 2.8Å; K563-A567 WeakPolarHBondContact O-CB 3.31Å; K563-A567 PolarHBondContact O-N 3.22Å
564	C	96.6	Very high	94.6	Very high	19 Å²	19	67.6 Å²	67.6	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-41.2	177.6	-166.8	0	0	0	0	111.4	L522 P560 I561 V562 A567 N568 M579	L522-C564 HydrophobicContact CB-CB 4.3Å; L522-C564 HydrophobicContact CD1-CB 4.39Å; P560-C564 VanDerWaalsContact O-CB 3.27Å; P560-C564 WeakPolarHBondContact O-CB 3.22Å; P560-C564 PolarHBondContact O-N 2.66Å; I561-C564 PolarHBondContact O-N 2.71Å; V562-C564 VanDerWaalsContact C-N 3.32Å; V562-C564 PolarHBondContact O-N 2.88Å; C564-A567 PolarHBondContact O-N 2.76Å; C564-N568 PolarHBondContact O-N 3.34Å; C564-M579 HydrophobicContact CB-CE 3.51Å; C564-M579 WeakPolarHBondContact SG-CE 3.41Å
565	F	96.2	Very high	94.5	Very high	9 Å²	9	66.3 Å²	66.3	4%	0.039	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-48.7	174.7	-177.6	-91.6	0	0	0	112.3	I561 V562 A567 N568 G569 M579 L580 F606 V609 F615	I561-F565 PolarHBondContact O-N 3.27Å; V562-F565 PolarHBondContact O-N 3.37Å; F565-A567 VanDerWaalsContact C-N 3.33Å; F565-A567 PolarHBondContact O-N 2.96Å; F565-N568 WeakPolarHBondContact O-CB 3.4Å; F565-N568 PolarHBondContact O-N 3.48Å; F565-G569 PolarHBondContact O-N 3.16Å; F565-M579 VanDerWaalsContact CA-SD 3.53Å; F565-M579 HydrophobicContact CB-SD 3.63Å; F565-M579 HydrophobicContact CD2-CB 3.98Å; F565-M579 HydrophobicContact CD2-SD 3.75Å; F565-M579 HydrophobicContact CG-SD 4.18Å; F565-L580 HydrophobicContact CE2-CD2 4.06Å; F565-L580 HydrophobicContact CZ-CD2 4.45Å; F565-F606 AromaticContact CD1-CD1 3.85Å; F565-F606 HydrophobicContact CD1-CD1 3.85Å; F565-F606 AromaticContact CD1-CE1 3.6Å; F565-F606 HydrophobicContact CD1-CE1 3.6Å; F565-F606 AromaticContact CE1-CD1 3.7Å; F565-F606 HydrophobicContact CE1-CD1 3.7Å; F565-F606 AromaticContact CE1-CE1 3.9Å; F565-F606 HydrophobicContact CE1-CE1 3.9Å; F565-F606 HydrophobicContact CG-CE1 4.07Å; F565-F606 HydrophobicContact CZ-CD1 4.41Å; F565-V609 HydrophobicContact CE1-CG2 3.72Å; F565-V609 HydrophobicContact CZ-CG2 3.79Å; F565-F615 HydrophobicContact CE1-CE2 4.41Å; F565-F615 HydrophobicContact CE1-CZ 4.4Å; F565-F615 HydrophobicContact CE2-CE2 4.35Å; F565-F615 HydrophobicContact CE2-CZ 4.16Å; F565-F615 AromaticContact CZ-CE2 3.82Å; F565-F615 HydrophobicContact CZ-CE2 3.82Å; F565-F615 AromaticContact CZ-CZ 3.94Å; F565-F615 HydrophobicContact CZ-CZ 3.94Å
566	V	95.1	Very high	94.4	Very high	75 Å²	75	61.5 Å²	61.5	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-40.6	177.8	172.5	0	0	0	0	111	V562 N568 G569 N605	V562-V566 HydrophobicContact CG1-CG2 4.42Å; V562-V566 WeakPolarHBondContact O-CG2 3.46Å; V562-V566 PolarHBondContact O-N 3.02Å; V566-N568 VanDerWaalsContact C-N 3.32Å; V566-N568 PolarHBondContact O-N 3.24Å; V566-G569 PolarHBondContact O-N 2.95Å; V566-G569 VanDerWaalsContact O-N 3.14Å; V566-N605 HydrophobicContact CG2-CB 4.13Å
567	A	94	Very high	94.4	Very high	86 Å²	86	57.9 Å²	57.9	71%	0.711	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-31.6	177.2	0	0	0	0	0	113.3	K563 C564 F565 G569	K563-A567 WeakPolarHBondContact O-CB 3.31Å; K563-A567 PolarHBondContact O-N 3.22Å; C564-A567 PolarHBondContact O-N 2.76Å; F565-A567 VanDerWaalsContact C-N 3.33Å; F565-A567 PolarHBondContact O-N 2.96Å; A567-G569 PolarHBondContact O-N 3.42Å
568	N	92.8	Very high	94.3	Very high	24 Å²	24	59 Å²	59	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-24.2	174.3	-173.5	81.1	0	0	0	112.4	C564 F565 V566 T571 N573	C564-N568 PolarHBondContact O-N 3.34Å; F565-N568 WeakPolarHBondContact O-CB 3.4Å; F565-N568 PolarHBondContact O-N 3.48Å; V566-N568 VanDerWaalsContact C-N 3.32Å; V566-N568 PolarHBondContact O-N 3.24Å; N568-T571 PolarHBondContact ND2-O 3.25Å; N568-T571 PolarHBondContact ND2-OG1 3.14Å; N568-T571 PolarHBondContact O-N 3.35Å; N568-T571 PolarHBondContact O-OG1 3.04Å; N568-T571 PolarHBondContact OD1-OG1 3.14Å; N568-N573 PolarHBondContact OD1-ND2 3.47Å; N568-N573 PolarHBondContact OD1-OD1 3.38Å
569	G	87.9	Confident	94.2	Very high	37 Å²	37	59 Å²	59	38%	0.381	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-136.9	177.4	0	0	0	0	0	112.6	F565 V566 A567 T571	F565-G569 PolarHBondContact O-N 3.16Å; V566-G569 PolarHBondContact O-N 2.95Å; V566-G569 VanDerWaalsContact O-N 3.14Å; A567-G569 PolarHBondContact O-N 3.42Å; G569-T571 VanDerWaalsContact C-N 3.3Å; G569-T571 PolarHBondContact O-N 2.97Å
570	R	85.1	Confident	94.2	Very high	177 Å²	177	56.2 Å²	56.2	67%	0.668	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	16.8	-179.9	-63.1	-172.9	176.9	-164.1	-5.2	114	Y572	R570-Y572 WeakPolarHBondContact O-CD2 3.5Å; R570-Y572 WeakPolarHBondContact O-CE2 3.42Å; R570-Y572 PolarHBondContact O-N 3.13Å
571	T	86.9	Confident	94.1	Very high	74 Å²	74	58.6 Å²	58.6	45%	0.454	32%	0.315	S	S	.	.			trans	-78.1	114	179.5	60.5	0	0	0	0	110.8	N568 G569 N573 N576	N568-T571 PolarHBondContact ND2-O 3.25Å; N568-T571 PolarHBondContact ND2-OG1 3.14Å; N568-T571 PolarHBondContact O-N 3.35Å; N568-T571 PolarHBondContact O-OG1 3.04Å; N568-T571 PolarHBondContact OD1-OG1 3.14Å; G569-T571 VanDerWaalsContact C-N 3.3Å; G569-T571 PolarHBondContact O-N 2.97Å; T571-N573 PolarHBondContact O-N 2.95Å; T571-N573 VanDerWaalsContact O-N 3.13Å; T571-N573 PolarHBondContact OG1-ND2 2.87Å; T571-N576 WeakPolarHBondContact O-CB 3.35Å
572	Y	87.7	Confident	94.1	Very high	154 Å²	154	58.6 Å²	58.6	60%	0.604	32%	0.315	S	S	*	.			trans	-82.1	85.1	178	-53.9	-73.5	0	0	0	110.2	R570 Y611	R570-Y572 WeakPolarHBondContact O-CD2 3.5Å; R570-Y572 WeakPolarHBondContact O-CE2 3.42Å; R570-Y572 PolarHBondContact O-N 3.13Å; Y572-Y611 HydrophobicContact CD1-CD2 4.19Å; Y572-Y611 HydrophobicContact CD1-CE2 4.14Å; Y572-Y611 AromaticContact CE1-CD1 3.95Å; Y572-Y611 HydrophobicContact CE1-CD1 3.95Å; Y572-Y611 AromaticContact CE1-CD2 3.52Å; Y572-Y611 HydrophobicContact CE1-CD2 3.52Å; Y572-Y611 HydrophobicContact CE1-CE1 4.18Å; Y572-Y611 AromaticContact CE1-CE2 3.75Å; Y572-Y611 HydrophobicContact CE1-CE2 3.75Å; Y572-Y611 AromaticContact CE1-CG 3.63Å; Y572-Y611 HydrophobicContact CE1-CG 3.63Å
573	N	92.7	Very high	94.1	Very high	61 Å²	61	58.3 Å²	58.3	33%	0.326	31%	0.314	S	S	.	.	S	Bend	trans	-127.9	178.7	-179	62.3	26.6	0	0	0	110.8	N568 T571 L575 N576 S577	N568-N573 PolarHBondContact OD1-ND2 3.47Å; N568-N573 PolarHBondContact OD1-OD1 3.38Å; T571-N573 PolarHBondContact O-N 2.95Å; T571-N573 VanDerWaalsContact O-N 3.13Å; T571-N573 PolarHBondContact OG1-ND2 2.87Å; N573-L575 PolarHBondContact O-N 3.12Å; N573-L575 WeakPolarHBondContact OD1-CB 3.34Å; N573-L575 PolarHBondContact OD1-N 3.4Å; N573-L575 VanDerWaalsContact OD1-N 3.1Å; N573-N576 WeakPolarHBondContact O-CB 3.36Å; N573-N576 PolarHBondContact O-N 2.87Å; N573-N576 VanDerWaalsContact O-N 3.13Å; N573-N576 PolarHBondContact OD1-N 3.45Å; N573-S577 PolarHBondContact O-N 3.2Å; N573-S577 VanDerWaalsContact O-N 3.08Å; N573-S577 PolarHBondContact O-OG 3.44Å
574	L	94.7	Very high	94.1	Very high	125 Å²	125	53.9 Å²	53.9	65%	0.654	30%	0.295	S	S	*	.	H	α-helix	trans	-58.2	-32.5	179.9	-174.1	57.9	0	0	0	113	L531 A578	L531-L574 HydrophobicContact CD1-CB 4.38Å; L531-L574 HydrophobicContact CD1-CD2 3.47Å; L531-L574 VanDerWaalsContact CD1-CD2 3.47Å; L531-L574 HydrophobicContact CD1-CG 3.79Å; L531-L574 HydrophobicContact CD2-CG 4.17Å; L574-A578 VanDerWaalsContact O-CB 3.32Å; L574-A578 WeakPolarHBondContact O-CB 3.48Å; L574-A578 PolarHBondContact O-N 3.22Å
575	L	95.6	Very high	94.2	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-45.5	176.6	-179.7	61.5	0	0	0	111.5	V530 L531 L534 N573 A578 M579	V530-L575 HydrophobicContact CG1-CD1 3.57Å; V530-L575 HydrophobicContact CG1-CD2 4.03Å; V530-L575 HydrophobicContact CG1-CG 4.46Å; L531-L575 HydrophobicContact CD2-CD1 4.23Å; L534-L575 HydrophobicContact CD2-CD1 4.19Å; N573-L575 PolarHBondContact O-N 3.12Å; N573-L575 WeakPolarHBondContact OD1-CB 3.34Å; N573-L575 PolarHBondContact OD1-N 3.4Å; N573-L575 VanDerWaalsContact OD1-N 3.1Å; L575-A578 PolarHBondContact O-N 2.92Å; L575-M579 HydrophobicContact CD1-CE 3.75Å; L575-M579 HydrophobicContact CD1-CG 4.47Å; L575-M579 HydrophobicContact CD1-SD 4.47Å; L575-M579 HydrophobicContact CD2-CE 4.27Å; L575-M579 HydrophobicContact CG-CE 3.94Å; L575-M579 HydrophobicContact CG-SD 4.3Å; L575-M579 WeakPolarHBondContact O-CG 3.48Å; L575-M579 PolarHBondContact O-N 3.32Å
576	N	95.4	Very high	94.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-49	175.4	-175.6	-102.5	0	0	0	111.1	T571 N573 A578 M579 L580 Y611	T571-N576 WeakPolarHBondContact O-CB 3.35Å; N573-N576 WeakPolarHBondContact O-CB 3.36Å; N573-N576 PolarHBondContact O-N 2.87Å; N573-N576 VanDerWaalsContact O-N 3.13Å; N573-N576 PolarHBondContact OD1-N 3.45Å; N576-A578 PolarHBondContact O-N 2.92Å; N576-M579 PolarHBondContact O-N 3.4Å; N576-L580 WeakPolarHBondContact O-CG 3.05Å; N576-L580 PolarHBondContact O-N 2.79Å; N576-Y611 PolarHBondContact ND2-OH 3.41Å; N576-Y611 PolarHBondContact OD1-OH 3.45Å
577	S	96	Very high	94.3	Very high	70 Å²	70	52.6 Å²	52.6	49%	0.49	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-42.5	177.4	-57.8	0	0	0	0	112.7	N573 L580 E581	N573-S577 PolarHBondContact O-N 3.2Å; N573-S577 VanDerWaalsContact O-N 3.08Å; N573-S577 PolarHBondContact O-OG 3.44Å; S577-L580 PolarHBondContact O-N 2.83Å; S577-E581 PolarHBondContact O-N 3.13Å
578	A	97.1	Very high	94.4	Very high	28 Å²	28	51.7 Å²	51.7	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-37.4	178.2	0	0	0	0	0	112.7	L531 L534 L574 L575 N576 L582	L531-A578 HydrophobicContact CD2-CB 3.9Å; L534-A578 HydrophobicContact CD2-CB 3.67Å; L574-A578 VanDerWaalsContact O-CB 3.32Å; L574-A578 WeakPolarHBondContact O-CB 3.48Å; L574-A578 PolarHBondContact O-N 3.22Å; L575-A578 PolarHBondContact O-N 2.92Å; N576-A578 PolarHBondContact O-N 2.92Å; A578-L582 PolarHBondContact O-N 3.15Å; A578-L582 VanDerWaalsContact O-N 3.12Å
579	M	97.1	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-41.3	174.5	-73.5	176	172.7	0	0	111.9	L534 C564 F565 L575 N576 L582 F583	L534-M579 HydrophobicContact CD2-CG 3.72Å; C564-M579 HydrophobicContact CB-CE 3.51Å; C564-M579 WeakPolarHBondContact SG-CE 3.41Å; F565-M579 VanDerWaalsContact CA-SD 3.53Å; F565-M579 HydrophobicContact CB-SD 3.63Å; F565-M579 HydrophobicContact CD2-CB 3.98Å; F565-M579 HydrophobicContact CD2-SD 3.75Å; F565-M579 HydrophobicContact CG-SD 4.18Å; L575-M579 HydrophobicContact CD1-CE 3.75Å; L575-M579 HydrophobicContact CD1-CG 4.47Å; L575-M579 HydrophobicContact CD1-SD 4.47Å; L575-M579 HydrophobicContact CD2-CE 4.27Å; L575-M579 HydrophobicContact CG-CE 3.94Å; L575-M579 HydrophobicContact CG-SD 4.3Å; L575-M579 WeakPolarHBondContact O-CG 3.48Å; L575-M579 PolarHBondContact O-N 3.32Å; N576-M579 PolarHBondContact O-N 3.4Å; M579-L582 WeakPolarHBondContact O-CB 3.38Å; M579-L582 PolarHBondContact O-N 3.37Å; M579-F583 WeakPolarHBondContact O-CD2 3.49Å; M579-F583 PolarHBondContact O-N 2.7Å
580	L	96.3	Very high	94.7	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-42.7	176.1	-69.9	178.2	0	0	0	111.8	F565 N576 S577 L582 F583 E584 Y611 V612 F615	F565-L580 HydrophobicContact CE2-CD2 4.06Å; F565-L580 HydrophobicContact CZ-CD2 4.45Å; N576-L580 WeakPolarHBondContact O-CG 3.05Å; N576-L580 PolarHBondContact O-N 2.79Å; S577-L580 PolarHBondContact O-N 2.83Å; L580-L582 VanDerWaalsContact C-N 3.28Å; L580-L582 PolarHBondContact O-N 2.87Å; L580-F583 PolarHBondContact O-N 2.89Å; L580-E584 WeakPolarHBondContact O-CB 3.36Å; L580-E584 PolarHBondContact O-N 2.9Å; L580-Y611 HydrophobicContact CD1-CE2 3.81Å; L580-V612 HydrophobicContact CD1-CG1 3.96Å; L580-V612 HydrophobicContact CD1-CG2 3.93Å; L580-V612 HydrophobicContact CD2-CG2 3.74Å; L580-V612 HydrophobicContact CG-CG2 4.47Å; L580-F615 HydrophobicContact CD2-CE2 3.61Å; L580-F615 HydrophobicContact CD2-CZ 3.89Å
581	E	96.9	Very high	95.2	Very high	85 Å²	85	47 Å²	47	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-57.8	-41.1	173.7	-171.4	-77.1	149.6	0	0	111.5	R538 S577 F583 E584 F585	R538-E581 WeakPolarHBondContact CD-OE2 3.31Å; R538-E581 IonicContact CZ-OE1 2.61Å; R538-E581 IonicContact CZ-OE2 3.29Å; R538-E581 IonicContact NE-OE1 2.8Å; R538-E581 PolarHBondContact NE-OE1 2.99Å; R538-E581 IonicContact NE-OE2 3.41Å; R538-E581 PolarHBondContact NE-OE2 3.35Å; R538-E581 IonicContact NH2-OE1 3.21Å; R538-E581 PolarHBondContact NH2-OE1 3.4Å; S577-E581 PolarHBondContact O-N 3.13Å; E581-F583 PolarHBondContact O-N 3.4Å; E581-E584 PolarHBondContact O-N 3.36Å; E581-F585 WeakPolarHBondContact O-CB 3.39Å; E581-F585 PolarHBondContact O-N 3.48Å
582	L	98.2	Very high	95.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-48.2	176.8	175.4	69.9	0	0	0	112.4	L534 F537 R538 L541 I561 A578 M579 L580 I586	L534-L582 HydrophobicContact CD1-CD2 3.81Å; F537-L582 HydrophobicContact CD1-CD1 4.05Å; F537-L582 HydrophobicContact CD1-CD2 4.02Å; F537-L582 HydrophobicContact CE1-CD1 4.31Å; F537-L582 HydrophobicContact CE1-CD2 4.15Å; R538-L582 HydrophobicContact CB-CD1 4.03Å; R538-L582 HydrophobicContact CG-CD1 4.36Å; L541-L582 HydrophobicContact CD1-CD1 3.61Å; I561-L582 HydrophobicContact CD1-CD2 4.09Å; I561-L582 HydrophobicContact CG2-CD2 4.1Å; A578-L582 PolarHBondContact O-N 3.15Å; A578-L582 VanDerWaalsContact O-N 3.12Å; M579-L582 WeakPolarHBondContact O-CB 3.38Å; M579-L582 PolarHBondContact O-N 3.37Å; L580-L582 VanDerWaalsContact C-N 3.28Å; L580-L582 PolarHBondContact O-N 2.87Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 3.45Å
583	F	97.9	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-37.2	178.4	-68.6	-70.5	0	0	0	112	F558 I561 M579 L580 E581 F585 I586 R587 I598 F606 T614 F615	F558-F583 HydrophobicContact CD1-CE1 4.04Å; F558-F583 HydrophobicContact CD1-CZ 4.37Å; F558-F583 AromaticContact CE1-CE1 3.94Å; F558-F583 HydrophobicContact CE1-CE1 3.94Å; F558-F583 HydrophobicContact CE1-CZ 4.49Å; I561-F583 HydrophobicContact CG2-CZ 4.23Å; M579-F583 WeakPolarHBondContact O-CD2 3.49Å; M579-F583 PolarHBondContact O-N 2.7Å; L580-F583 PolarHBondContact O-N 2.89Å; E581-F583 PolarHBondContact O-N 3.4Å; F583-F585 VanDerWaalsContact C-N 3.34Å; F583-I586 PolarHBondContact O-N 3.42Å; F583-R587 PolarHBondContact O-N 3.4Å; F583-R587 VanDerWaalsContact O-N 3.08Å; F583-I598 HydrophobicContact CD1-CD1 4.07Å; F583-I598 HydrophobicContact CD1-CG2 4.31Å; F583-I598 HydrophobicContact CE1-CD1 4.1Å; F583-I598 HydrophobicContact CE1-CG2 4.15Å; F583-F606 HydrophobicContact CE1-CE2 4.22Å; F583-F606 AromaticContact CE1-CZ 3.96Å; F583-F606 HydrophobicContact CE1-CZ 3.96Å; F583-F606 HydrophobicContact CE2-CE1 4.28Å; F583-F606 HydrophobicContact CE2-CZ 4.02Å; F583-F606 HydrophobicContact CZ-CE1 4.23Å; F583-F606 HydrophobicContact CZ-CE2 4.25Å; F583-F606 AromaticContact CZ-CZ 3.53Å; F583-F606 HydrophobicContact CZ-CZ 3.53Å; F583-T614 HydrophobicContact CB-CG2 3.85Å; F583-F615 HydrophobicContact CB-CE1 4.03Å; F583-F615 HydrophobicContact CD1-CE1 4.04Å; F583-F615 AromaticContact CD2-CE1 3.53Å; F583-F615 HydrophobicContact CD2-CE1 3.53Å; F583-F615 AromaticContact CD2-CZ 3.73Å; F583-F615 HydrophobicContact CD2-CZ 3.73Å; F583-F615 HydrophobicContact CE1-CE1 4.42Å; F583-F615 AromaticContact CE2-CE1 3.98Å; F583-F615 HydrophobicContact CE2-CE1 3.98Å; F583-F615 HydrophobicContact CE2-CZ 4.15Å; F583-F615 HydrophobicContact CG-CD1 4.49Å; F583-F615 AromaticContact CG-CE1 3.59Å; F583-F615 HydrophobicContact CG-CE1 3.59Å; F583-F615 HydrophobicContact CG-CZ 4.21Å; F583-F615 HydrophobicContact CZ-CE1 4.41Å
584	E	96.9	Very high	96.1	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-38.9	176.9	-175.9	59.2	-161.9	0	0	111.5	L580 E581 R587 S588 T614	L580-E584 WeakPolarHBondContact O-CB 3.36Å; L580-E584 PolarHBondContact O-N 2.9Å; E581-E584 PolarHBondContact O-N 3.36Å; E584-R587 WeakPolarHBondContact O-CB 3.44Å; E584-R587 PolarHBondContact O-N 2.8Å; E584-R587 IonicContact OE1-CZ 3.96Å; E584-R587 VanDerWaalsContact OE1-CZ 3.29Å; E584-R587 IonicContact OE1-NE 2.71Å; E584-R587 PolarHBondContact OE1-NE 3.01Å; E584-R587 IonicContact OE1-NH2 3.7Å; E584-R587 PolarHBondContact OE1-NH2 2.89Å; E584-R587 IonicContact OE2-CZ 2.69Å; E584-R587 IonicContact OE2-NE 2.68Å; E584-R587 PolarHBondContact OE2-NE 3.05Å; E584-R587 IonicContact OE2-NH2 2.65Å; E584-S588 WeakPolarHBondContact O-CB 3.5Å; E584-S588 PolarHBondContact O-N 3.44Å; E584-S588 PolarHBondContact O-OG 2.7Å; E584-S588 VanDerWaalsContact O-OG 3.08Å; E584-T614 HydrophobicContact CB-CG2 3.97Å; E584-T614 WeakPolarHBondContact OE2-CG2 3.12Å; E584-T614 PolarHBondContact OE2-OG1 2.89Å
585	F	98	Very high	96.2	Very high	14 Å²	14	36.7 Å²	36.7	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-47.3	172.7	174.4	-104.6	0	0	0	112.4	R538 L541 N542 E581 F583 R587 S588 E589 I591	R538-F585 VanDerWaalsContact CZ-CD1 3.4Å; R538-F585 VanDerWaalsContact NH1-CD1 3.27Å; R538-F585 VanDerWaalsContact NH1-CZ 3.26Å; R538-F585 VanDerWaalsContact NH2-CE2 3.33Å; L541-F585 HydrophobicContact CB-CE1 4.18Å; N542-F585 HydrophobicContact CB-CZ 4.41Å; E581-F585 WeakPolarHBondContact O-CB 3.39Å; E581-F585 PolarHBondContact O-N 3.48Å; F583-F585 VanDerWaalsContact C-N 3.34Å; F585-R587 PolarHBondContact O-N 3.24Å; F585-S588 WeakPolarHBondContact CA-OG 3.45Å; F585-S588 PolarHBondContact O-N 2.94Å; F585-S588 PolarHBondContact O-OG 2.87Å; F585-E589 HydrophobicContact CD2-CG 3.54Å; F585-E589 HydrophobicContact CE1-CG 4.35Å; F585-E589 HydrophobicContact CE2-CB 4.3Å; F585-E589 HydrophobicContact CE2-CG 3.23Å; F585-E589 HydrophobicContact CG-CG 4.3Å; F585-E589 HydrophobicContact CZ-CB 4.34Å; F585-E589 HydrophobicContact CZ-CG 3.65Å; F585-E589 VanDerWaalsContact O-CB 3.3Å; F585-E589 WeakPolarHBondContact O-CB 3.45Å; F585-E589 PolarHBondContact O-N 2.81Å; F585-I591 HydrophobicContact CD1-CD1 4.19Å; F585-I591 HydrophobicContact CE1-CD1 3.73Å
586	I	97.7	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-38.4	177.7	-68.1	167.8	0	0	0	110.5	L541 F558 L582 F583 N590 I591 L594 A595 I598 L618	L541-I586 HydrophobicContact CD1-CD1 3.83Å; L541-I586 HydrophobicContact CD1-CG1 3.99Å; F558-I586 HydrophobicContact CE1-CD1 4Å; F558-I586 HydrophobicContact CZ-CD1 3.61Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 3.45Å; F583-I586 PolarHBondContact O-N 3.42Å; I586-N590 PolarHBondContact O-N 2.93Å; I586-I591 HydrophobicContact CG1-CD1 4.47Å; I586-I591 HydrophobicContact CG2-CB 4.31Å; I586-I591 PolarHBondContact O-N 3.11Å; I586-L594 HydrophobicContact CD1-CD1 4.32Å; I586-L594 HydrophobicContact CG1-CD1 4.39Å; I586-L594 HydrophobicContact CG2-CB 3.9Å; I586-A595 HydrophobicContact CG2-CB 4.47Å; I586-I598 HydrophobicContact CD1-CD1 3.59Å; I586-I598 HydrophobicContact CG2-CD1 4.16Å; I586-L618 HydrophobicContact CG2-CD1 4.38Å
587	R	95.8	Very high	96.3	Very high	62 Å²	62	36.8 Å²	36.8	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-52.7	177.7	-168.8	-165.9	72.6	70.1	-0.2	112.1	F583 E584 F585 N590 L617 L618	F583-R587 PolarHBondContact O-N 3.4Å; F583-R587 VanDerWaalsContact O-N 3.08Å; E584-R587 WeakPolarHBondContact O-CB 3.44Å; E584-R587 PolarHBondContact O-N 2.8Å; E584-R587 IonicContact OE1-CZ 3.96Å; E584-R587 VanDerWaalsContact OE1-CZ 3.29Å; E584-R587 IonicContact OE1-NE 2.71Å; E584-R587 PolarHBondContact OE1-NE 3.01Å; E584-R587 IonicContact OE1-NH2 3.7Å; E584-R587 PolarHBondContact OE1-NH2 2.89Å; E584-R587 IonicContact OE2-CZ 2.69Å; E584-R587 IonicContact OE2-NE 2.68Å; E584-R587 PolarHBondContact OE2-NE 3.05Å; E584-R587 IonicContact OE2-NH2 2.65Å; F585-R587 PolarHBondContact O-N 3.24Å; R587-N590 PolarHBondContact O-N 3.47Å; R587-L617 VanDerWaalsContact CD-CB 3.49Å; R587-L618 HydrophobicContact CB-CD1 3.86Å; R587-L618 HydrophobicContact CG-CB 4.37Å; R587-L618 HydrophobicContact CG-CD1 4.12Å
588	S	95	Very high	96.3	Very high	66 Å²	66	33.5 Å²	33.5	46%	0.462	17%	0.169	S	C	.	.	H	α-helix	trans	-67.9	-42.5	-173.7	62.6	0	0	0	0	111.7	E584 F585 N590	E584-S588 WeakPolarHBondContact O-CB 3.5Å; E584-S588 PolarHBondContact O-N 3.44Å; E584-S588 PolarHBondContact O-OG 2.7Å; E584-S588 VanDerWaalsContact O-OG 3.08Å; F585-S588 WeakPolarHBondContact CA-OG 3.45Å; F585-S588 PolarHBondContact O-N 2.94Å; F585-S588 PolarHBondContact O-OG 2.87Å; S588-N590 PolarHBondContact O-N 3.47Å
589	E	95.4	Very high	96.3	Very high	80 Å²	80	33 Å²	33	37%	0.374	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.6	174.2	-67.4	-57.9	131.2	0	0	113.6	R544 F585 I591	R544-E589 IonicContact CZ-OE2 3.71Å; R544-E589 IonicContact NH1-OE2 2.7Å; R544-E589 PolarHBondContact NH1-OE2 3.05Å; F585-E589 HydrophobicContact CD2-CG 3.54Å; F585-E589 HydrophobicContact CE1-CG 4.35Å; F585-E589 HydrophobicContact CE2-CB 4.3Å; F585-E589 HydrophobicContact CE2-CG 3.23Å; F585-E589 HydrophobicContact CG-CG 4.3Å; F585-E589 HydrophobicContact CZ-CB 4.34Å; F585-E589 HydrophobicContact CZ-CG 3.65Å; F585-E589 VanDerWaalsContact O-CB 3.3Å; F585-E589 WeakPolarHBondContact O-CB 3.45Å; F585-E589 PolarHBondContact O-N 2.81Å; E589-I591 HydrophobicContact CB-CD1 4.48Å; E589-I591 HydrophobicContact CB-CG1 4.09Å; E589-I591 PolarHBondContact O-N 3.2Å
590	N	92.6	Very high	96.3	Very high	46 Å²	46	38.8 Å²	38.8	25%	0.246	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	46.9	174.2	-172.4	45.2	0	0	0	113.5	I586 R587 S588 K592 R621 Q625	I586-N590 PolarHBondContact O-N 2.93Å; R587-N590 PolarHBondContact O-N 3.47Å; S588-N590 PolarHBondContact O-N 3.47Å; N590-K592 VanDerWaalsContact C-N 3.27Å; N590-K592 WeakPolarHBondContact O-CG 3.5Å; N590-K592 PolarHBondContact O-N 2.89Å; N590-R621 PolarHBondContact ND2-NH2 3.05Å; N590-R621 PolarHBondContact OD1-NE 2.97Å; N590-R621 PolarHBondContact OD1-NH2 3.44Å; N590-R621 VanDerWaalsContact OD1-NH2 3.16Å; N590-Q625 PolarHBondContact OD1-NE2 3.05Å
591	I	95.4	Very high	96.3	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.067	21%	0.205	C	C	.	.			trans	-76	79.8	179.2	-48.8	178.6	0	0	0	109.4	R544 I549 F585 I586 E589 K593 L594 A595	R544-I591 HydrophobicContact CG-CD1 4.21Å; R544-I591 HydrophobicContact CG-CG1 4.49Å; I549-I591 HydrophobicContact CD1-CG2 3.63Å; I549-I591 HydrophobicContact CG1-CG2 4.38Å; F585-I591 HydrophobicContact CD1-CD1 4.19Å; F585-I591 HydrophobicContact CE1-CD1 3.73Å; I586-I591 HydrophobicContact CG1-CD1 4.47Å; I586-I591 HydrophobicContact CG2-CB 4.31Å; I586-I591 PolarHBondContact O-N 3.11Å; E589-I591 HydrophobicContact CB-CD1 4.48Å; E589-I591 HydrophobicContact CB-CG1 4.09Å; E589-I591 PolarHBondContact O-N 3.2Å; I591-K593 PolarHBondContact O-N 3.29Å; I591-L594 HydrophobicContact CB-CB 4.44Å; I591-L594 HydrophobicContact CG2-CB 4.07Å; I591-L594 HydrophobicContact CG2-CD1 3.91Å; I591-L594 HydrophobicContact CG2-CG 3.92Å; I591-L594 PolarHBondContact O-N 2.96Å; I591-A595 PolarHBondContact O-N 3.02Å
592	K	94.3	Very high	96.3	Very high	98 Å²	98	38.4 Å²	38.4	43%	0.426	19%	0.189	S	C	.	.	H	α-helix	trans	-50.8	-47.3	-165.8	-55.6	-163.7	174.3	-171.9	0	114.5	N590 L594 A595 A596 Q625 E628	N590-K592 VanDerWaalsContact C-N 3.27Å; N590-K592 WeakPolarHBondContact O-CG 3.5Å; N590-K592 PolarHBondContact O-N 2.89Å; K592-L594 VanDerWaalsContact C-N 3.32Å; K592-L594 PolarHBondContact O-N 3.46Å; K592-A595 PolarHBondContact O-N 3.14Å; K592-A596 WeakPolarHBondContact O-CB 3.5Å; K592-A596 PolarHBondContact O-N 3.3Å; K592-Q625 HydrophobicContact CD-CG 4.23Å; K592-Q625 HydrophobicContact CG-CG 4.49Å; K592-E628 IonicContact NZ-OE2 3.57Å
593	K	95.4	Very high	96.2	Very high	99 Å²	99	39.2 Å²	39.2	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-42.2	-179.5	-69	177.4	-178.7	165.7	0	112	D546 I549 I553 I591 H597	D546-K593 IonicContact OD1-NZ 2.71Å; D546-K593 PolarHBondContact OD1-NZ 3.42Å; D546-K593 IonicContact OD2-NZ 3.99Å; I549-K593 HydrophobicContact CG2-CB 3.89Å; I549-K593 HydrophobicContact CG2-CD 4.07Å; I553-K593 HydrophobicContact CD1-CB 3.9Å; I591-K593 PolarHBondContact O-N 3.29Å; K593-H597 WeakPolarHBondContact O-CB 3.4Å; K593-H597 PolarHBondContact O-N 3.09Å
594	L	96.7	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-42	177.8	-69.4	-174.7	0	0	0	111.6	L541 I549 I552 I553 F558 I586 I591 K592 A596 H597 I598	L541-L594 HydrophobicContact CD1-CD1 4.06Å; L541-L594 HydrophobicContact CD2-CD1 3.57Å; L541-L594 HydrophobicContact CG-CD1 4.46Å; I549-L594 HydrophobicContact CG1-CD1 4.27Å; I549-L594 HydrophobicContact CG1-CG 4.41Å; I549-L594 HydrophobicContact CG2-CD2 3.96Å; I549-L594 HydrophobicContact CG2-CG 3.93Å; I552-L594 HydrophobicContact CG2-CD2 4.06Å; I553-L594 HydrophobicContact CD1-CD2 4.04Å; I553-L594 HydrophobicContact CG1-CD2 3.75Å; F558-L594 HydrophobicContact CE2-CD1 4.5Å; F558-L594 HydrophobicContact CE2-CD2 3.88Å; I586-L594 HydrophobicContact CD1-CD1 4.32Å; I586-L594 HydrophobicContact CG1-CD1 4.39Å; I586-L594 HydrophobicContact CG2-CB 3.9Å; I591-L594 HydrophobicContact CB-CB 4.44Å; I591-L594 HydrophobicContact CG2-CB 4.07Å; I591-L594 HydrophobicContact CG2-CD1 3.91Å; I591-L594 HydrophobicContact CG2-CG 3.92Å; I591-L594 PolarHBondContact O-N 2.96Å; K592-L594 VanDerWaalsContact C-N 3.32Å; K592-L594 PolarHBondContact O-N 3.46Å; L594-A596 VanDerWaalsContact C-N 3.32Å; L594-A596 PolarHBondContact O-N 3.43Å; L594-H597 PolarHBondContact O-N 3.18Å; L594-I598 HydrophobicContact CB-CD1 4.47Å; L594-I598 WeakPolarHBondContact O-CB 3.11Å; L594-I598 WeakPolarHBondContact O-CD1 3.01Å; L594-I598 WeakPolarHBondContact O-CG1 3.15Å; L594-I598 PolarHBondContact O-N 3.01Å
595	A	96.1	Very high	96	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-46.6	176.2	0	0	0	0	0	111.4	I586 I591 K592 I598 V599 L618	I586-A595 HydrophobicContact CG2-CB 4.47Å; I591-A595 PolarHBondContact O-N 3.02Å; K592-A595 PolarHBondContact O-N 3.14Å; A595-I598 PolarHBondContact O-N 2.88Å; A595-V599 VanDerWaalsContact O-CG2 3.31Å; A595-V599 WeakPolarHBondContact O-CG2 3.39Å; A595-V599 PolarHBondContact O-N 3.37Å; A595-L618 HydrophobicContact CB-CD1 3.82Å
596	A	95.8	Very high	95.8	Very high	21 Å²	21	45.7 Å²	45.7	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-52.8	174.4	0	0	0	0	0	111.8	K592 L594 I598 V599 E600 Y622	K592-A596 WeakPolarHBondContact O-CB 3.5Å; K592-A596 PolarHBondContact O-N 3.3Å; L594-A596 VanDerWaalsContact C-N 3.32Å; L594-A596 PolarHBondContact O-N 3.43Å; A596-I598 VanDerWaalsContact C-N 3.27Å; A596-I598 PolarHBondContact O-N 3.02Å; A596-V599 PolarHBondContact O-N 3.08Å; A596-E600 WeakPolarHBondContact O-CB 3.49Å; A596-E600 VanDerWaalsContact O-CG 3.24Å; A596-E600 WeakPolarHBondContact O-CG 3.31Å; A596-E600 PolarHBondContact O-N 3.32Å; A596-Y622 HydrophobicContact CB-CD2 3.79Å; A596-Y622 HydrophobicContact CB-CE2 3.63Å
597	H	96.8	Very high	95.4	Very high	15 Å²	15	50.4 Å²	50.4	7%	0.069	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-41.9	178.3	177.5	58	0	0	0	112.4	I553 K593 L594 N601 Y602	I553-H597 HydrophobicContact CD1-CB 4.28Å; I553-H597 HydrophobicContact CG1-CB 4.08Å; K593-H597 WeakPolarHBondContact O-CB 3.4Å; K593-H597 PolarHBondContact O-N 3.09Å; L594-H597 PolarHBondContact O-N 3.18Å; H597-N601 PolarHBondContact ND1-ND2 3.15Å; H597-N601 VanDerWaalsContact ND1-ND2 3.19Å; H597-N601 WeakPolarHBondContact O-CB 3.42Å; H597-N601 PolarHBondContact O-N 3.37Å; H597-N601 PolarHBondContact O-ND2 3.01Å; H597-Y602 AromaticContact NE2-CE2 3.74Å
598	I	97.5	Very high	95.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-48	-178.5	-69.7	162.7	0	0	0	111.3	F558 F583 I586 L594 A595 A596 Y602 F603 F606 L618	F558-I598 HydrophobicContact CD1-CD1 4.3Å; F558-I598 HydrophobicContact CD1-CG1 4.27Å; F558-I598 HydrophobicContact CD2-CG1 4.42Å; F558-I598 HydrophobicContact CE1-CD1 3.78Å; F558-I598 HydrophobicContact CE1-CG1 4.23Å; F558-I598 HydrophobicContact CE2-CD1 4.25Å; F558-I598 HydrophobicContact CE2-CG1 4.39Å; F558-I598 HydrophobicContact CG-CG1 4.37Å; F558-I598 HydrophobicContact CZ-CD1 3.76Å; F558-I598 HydrophobicContact CZ-CG1 4.3Å; F583-I598 HydrophobicContact CD1-CD1 4.07Å; F583-I598 HydrophobicContact CD1-CG2 4.31Å; F583-I598 HydrophobicContact CE1-CD1 4.1Å; F583-I598 HydrophobicContact CE1-CG2 4.15Å; I586-I598 HydrophobicContact CD1-CD1 3.59Å; I586-I598 HydrophobicContact CG2-CD1 4.16Å; L594-I598 HydrophobicContact CB-CD1 4.47Å; L594-I598 WeakPolarHBondContact O-CB 3.11Å; L594-I598 WeakPolarHBondContact O-CD1 3.01Å; L594-I598 WeakPolarHBondContact O-CG1 3.15Å; L594-I598 PolarHBondContact O-N 3.01Å; A595-I598 PolarHBondContact O-N 2.88Å; A596-I598 VanDerWaalsContact C-N 3.27Å; A596-I598 PolarHBondContact O-N 3.02Å; I598-Y602 WeakPolarHBondContact O-CA 3.45Å; I598-Y602 PolarHBondContact O-N 2.87Å; I598-F603 PolarHBondContact O-N 3.25Å; I598-F606 HydrophobicContact CG2-CE2 4.18Å; I598-L618 HydrophobicContact CB-CD2 4.25Å; I598-L618 HydrophobicContact CG2-CD2 3.68Å
599	V	96.7	Very high	94.9	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.097	25%	0.25	C	C	.	.	H	α-helix	trans	-67.7	-41.7	-177.6	175.5	0	0	0	0	111.1	A595 A596 N601 F603 L618 R619 Y622	A595-V599 VanDerWaalsContact O-CG2 3.31Å; A595-V599 WeakPolarHBondContact O-CG2 3.39Å; A595-V599 PolarHBondContact O-N 3.37Å; A596-V599 PolarHBondContact O-N 3.08Å; V599-N601 PolarHBondContact O-N 3.45Å; V599-F603 HydrophobicContact CG1-CB 4.36Å; V599-F603 WeakPolarHBondContact O-CB 3.27Å; V599-L618 HydrophobicContact CG2-CD2 4.4Å; V599-L618 HydrophobicContact CG2-CG 4.09Å; V599-R619 HydrophobicContact CG1-CB 4.44Å; V599-R619 HydrophobicContact CG1-CG 4.3Å; V599-R619 HydrophobicContact CG2-CB 4.49Å; V599-Y622 HydrophobicContact CB-CD1 3.95Å; V599-Y622 HydrophobicContact CB-CG 4.1Å; V599-Y622 HydrophobicContact CG1-CD1 3.49Å; V599-Y622 VanDerWaalsContact CG1-CD1 3.49Å; V599-Y622 HydrophobicContact CG1-CE1 4.02Å; V599-Y622 HydrophobicContact CG1-CG 4.12Å; V599-Y622 HydrophobicContact CG2-CG 4.36Å
600	E	96.3	Very high	94.6	Very high	123 Å²	123	53.8 Å²	53.8	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-67.2	-33.4	-179.2	-71.2	173.9	169.7	0	0	113.4	A596 Y622	A596-E600 WeakPolarHBondContact O-CB 3.49Å; A596-E600 VanDerWaalsContact O-CG 3.24Å; A596-E600 WeakPolarHBondContact O-CG 3.31Å; A596-E600 PolarHBondContact O-N 3.32Å; E600-Y622 HydrophobicContact CG-CE1 4.48Å; E600-Y622 PolarHBondContact OE1-OH 2.84Å
601	N	97.3	Very high	94.6	Very high	78 Å²	78	54.7 Å²	54.7	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-109.7	-24.6	-169.4	-62.3	-84.8	0	0	0	114.3	H597 V599	H597-N601 PolarHBondContact ND1-ND2 3.15Å; H597-N601 VanDerWaalsContact ND1-ND2 3.19Å; H597-N601 WeakPolarHBondContact O-CB 3.42Å; H597-N601 PolarHBondContact O-N 3.37Å; H597-N601 PolarHBondContact O-ND2 3.01Å; V599-N601 PolarHBondContact O-N 3.45Å
602	Y	97.3	Very high	94.4	Very high	17 Å²	17	56 Å²	56	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-131.9	-2	-170.1	-49.7	-75.9	0	0	0	114.8	F558 D559 V562 H597 I598 E604 N605 F606	F558-Y602 HydrophobicContact CB-CD2 4.23Å; F558-Y602 HydrophobicContact CB-CE2 3.57Å; F558-Y602 HydrophobicContact CG-CE2 4.5Å; D559-Y602 WeakPolarHBondContact OD1-CE1 3.21Å; D559-Y602 VanDerWaalsContact OD1-CZ 3.27Å; D559-Y602 PolarHBondContact OD1-OH 2.75Å; V562-Y602 HydrophobicContact CB-CD1 4.12Å; V562-Y602 HydrophobicContact CG1-CD1 4.08Å; V562-Y602 HydrophobicContact CG2-CD1 3.61Å; V562-Y602 HydrophobicContact CG2-CD2 4.26Å; V562-Y602 HydrophobicContact CG2-CE1 4.15Å; V562-Y602 HydrophobicContact CG2-CG 3.67Å; H597-Y602 AromaticContact NE2-CE2 3.74Å; I598-Y602 WeakPolarHBondContact O-CA 3.45Å; I598-Y602 PolarHBondContact O-N 2.87Å; Y602-E604 PolarHBondContact O-N 3.46Å; Y602-E604 VanDerWaalsContact O-N 3.14Å; Y602-N605 WeakPolarHBondContact O-CB 3.49Å; Y602-N605 PolarHBondContact O-N 3.33Å; Y602-N605 PolarHBondContact O-OD1 3.42Å; Y602-F606 WeakPolarHBondContact O-CD2 3.37Å
603	F	95.8	Very high	94.4	Very high	18 Å²	18	56.7 Å²	56.7	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-34.2	-177.6	-173	-96.9	0	0	0	113.1	I598 V599 N605 F606 K607 R619	I598-F603 PolarHBondContact O-N 3.25Å; V599-F603 HydrophobicContact CG1-CB 4.36Å; V599-F603 WeakPolarHBondContact O-CB 3.27Å; F603-N605 PolarHBondContact O-N 3.5Å; F603-F606 PolarHBondContact O-N 3.26Å; F603-K607 HydrophobicContact CE1-CB 4.25Å; F603-K607 PolarHBondContact O-N 2.88Å; F603-R619 HydrophobicContact CD2-CB 4Å; F603-R619 VanDerWaalsContact CE1-NH1 3.26Å; F603-R619 HydrophobicContact CE2-CB 3.51Å; F603-R619 HydrophobicContact CE2-CG 4.12Å; F603-R619 HydrophobicContact CZ-CB 4.1Å; F603-R619 HydrophobicContact CZ-CG 4.31Å
604	E	95	Very high	94.4	Very high	124 Å²	124	52.7 Å²	52.7	58%	0.579	26%	0.263	S	S	*	.	H	α-helix	trans	-60.6	-28.2	176.4	-69.3	-58.1	124.6	0	0	113.4	Y602 F606 K607	Y602-E604 PolarHBondContact O-N 3.46Å; Y602-E604 VanDerWaalsContact O-N 3.14Å; E604-F606 VanDerWaalsContact C-N 3.26Å; E604-F606 PolarHBondContact O-N 2.68Å; E604-K607 WeakPolarHBondContact OE2-CD 3.26Å; E604-K607 WeakPolarHBondContact OE2-CE 3.43Å; E604-K607 IonicContact OE2-NZ 2.63Å; E604-K607 PolarHBondContact OE2-NZ 2.89Å
605	N	95.2	Very high	94.3	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	26%	0.264	S	S	.	.	H	α-helix	trans	-74.9	-15.8	175.1	-61.5	96.4	0	0	0	112.9	V562 V566 Y602 F603	V562-N605 HydrophobicContact CG1-CB 3.73Å; V566-N605 HydrophobicContact CG2-CB 4.13Å; Y602-N605 WeakPolarHBondContact O-CB 3.49Å; Y602-N605 PolarHBondContact O-N 3.33Å; Y602-N605 PolarHBondContact O-OD1 3.42Å; F603-N605 PolarHBondContact O-N 3.5Å
606	F	93.8	Very high	94.3	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-114	-11.1	-173.7	-55.6	-54	0	0	0	114.2	V562 F565 F583 I598 Y602 F603 E604 E608 V609 F615	V562-F606 HydrophobicContact CB-CZ 4.47Å; V562-F606 HydrophobicContact CG1-CZ 4.23Å; V562-F606 HydrophobicContact CG2-CE2 4.38Å; V562-F606 HydrophobicContact CG2-CZ 3.8Å; F565-F606 AromaticContact CD1-CD1 3.85Å; F565-F606 HydrophobicContact CD1-CD1 3.85Å; F565-F606 AromaticContact CD1-CE1 3.6Å; F565-F606 HydrophobicContact CD1-CE1 3.6Å; F565-F606 AromaticContact CE1-CD1 3.7Å; F565-F606 HydrophobicContact CE1-CD1 3.7Å; F565-F606 AromaticContact CE1-CE1 3.9Å; F565-F606 HydrophobicContact CE1-CE1 3.9Å; F565-F606 HydrophobicContact CG-CE1 4.07Å; F565-F606 HydrophobicContact CZ-CD1 4.41Å; F583-F606 HydrophobicContact CE1-CE2 4.22Å; F583-F606 AromaticContact CE1-CZ 3.96Å; F583-F606 HydrophobicContact CE1-CZ 3.96Å; F583-F606 HydrophobicContact CE2-CE1 4.28Å; F583-F606 HydrophobicContact CE2-CZ 4.02Å; F583-F606 HydrophobicContact CZ-CE1 4.23Å; F583-F606 HydrophobicContact CZ-CE2 4.25Å; F583-F606 AromaticContact CZ-CZ 3.53Å; F583-F606 HydrophobicContact CZ-CZ 3.53Å; I598-F606 HydrophobicContact CG2-CE2 4.18Å; Y602-F606 WeakPolarHBondContact O-CD2 3.37Å; F603-F606 PolarHBondContact O-N 3.26Å; E604-F606 VanDerWaalsContact C-N 3.26Å; E604-F606 PolarHBondContact O-N 2.68Å; F606-E608 PolarHBondContact O-N 3.45Å; F606-E608 VanDerWaalsContact O-N 3.08Å; F606-V609 VanDerWaalsContact O-CB 3.29Å; F606-V609 WeakPolarHBondContact O-CB 3.32Å; F606-V609 PolarHBondContact O-N 2.97Å; F606-F615 HydrophobicContact CB-CB 3.87Å; F606-F615 HydrophobicContact CB-CD1 3.66Å; F606-F615 HydrophobicContact CB-CD2 3.86Å; F606-F615 HydrophobicContact CB-CE1 4.11Å; F606-F615 HydrophobicContact CB-CE2 4.28Å; F606-F615 HydrophobicContact CB-CG 3.52Å; F606-F615 HydrophobicContact CB-CZ 4.4Å; F606-F615 AromaticContact CD1-CD1 3.93Å; F606-F615 HydrophobicContact CD1-CD1 3.93Å; F606-F615 HydrophobicContact CD1-CD2 4.36Å; F606-F615 AromaticContact CD1-CE1 3.45Å; F606-F615 HydrophobicContact CD1-CE1 3.45Å; F606-F615 VanDerWaalsContact CD1-CE1 3.45Å; F606-F615 AromaticContact CD1-CE2 3.93Å; F606-F615 HydrophobicContact CD1-CE2 3.93Å; F606-F615 HydrophobicContact CD1-CG 4.36Å; F606-F615 AromaticContact CD1-CZ 3.45Å; F606-F615 HydrophobicContact CD1-CZ 3.45Å; F606-F615 VanDerWaalsContact CD1-CZ 3.45Å; F606-F615 AromaticContact CD2-CD1 3.58Å; F606-F615 HydrophobicContact CD2-CD1 3.58Å; F606-F615 AromaticContact CD2-CE1 3.68Å; F606-F615 HydrophobicContact CD2-CE1 3.68Å; F606-F615 HydrophobicContact CD2-CG 4.34Å; F606-F615 HydrophobicContact CE1-CD1 4.45Å; F606-F615 AromaticContact CE1-CE1 3.63Å; F606-F615 HydrophobicContact CE1-CE1 3.63Å; F606-F615 AromaticContact CE1-CZ 3.71Å; F606-F615 HydrophobicContact CE1-CZ 3.71Å; F606-F615 HydrophobicContact CE2-CD1 4.14Å; F606-F615 AromaticContact CE2-CE1 3.85Å; F606-F615 HydrophobicContact CE2-CE1 3.85Å; F606-F615 AromaticContact CG-CD1 3.45Å; F606-F615 HydrophobicContact CG-CD1 3.45Å; F606-F615 VanDerWaalsContact CG-CD1 3.45Å; F606-F615 HydrophobicContact CG-CD2 4.24Å; F606-F615 AromaticContact CG-CE1 3.47Å; F606-F615 HydrophobicContact CG-CE1 3.47Å; F606-F615 VanDerWaalsContact CG-CE1 3.47Å; F606-F615 HydrophobicContact CG-CE2 4.25Å; F606-F615 AromaticContact CG-CG 3.85Å; F606-F615 HydrophobicContact CG-CG 3.85Å; F606-F615 AromaticContact CG-CZ 3.89Å; F606-F615 HydrophobicContact CG-CZ 3.89Å; F606-F615 AromaticContact CZ-CE1 3.81Å; F606-F615 HydrophobicContact CZ-CE1 3.81Å; F606-F615 HydrophobicContact CZ-CZ 4.33Å
607	K	89.2	Confident	94.2	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.3	-174.7	71.3	-173.7	172.5	-175	0	114.6	F603 E604 V609	F603-K607 HydrophobicContact CE1-CB 4.25Å; F603-K607 PolarHBondContact O-N 2.88Å; E604-K607 WeakPolarHBondContact OE2-CD 3.26Å; E604-K607 WeakPolarHBondContact OE2-CE 3.43Å; E604-K607 IonicContact OE2-NZ 2.63Å; E604-K607 PolarHBondContact OE2-NZ 2.89Å; K607-V609 VanDerWaalsContact C-N 3.35Å
608	E	88.6	Confident	94.1	Very high	143 Å²	143	58.9 Å²	58.9	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-0.2	-179.7	-58.4	-174.5	-179.5	0	0	113	F606 D610	F606-E608 PolarHBondContact O-N 3.45Å; F606-E608 VanDerWaalsContact O-N 3.08Å; E608-D610 PolarHBondContact O-N 3.31Å
609	V	91.3	Very high	94	Very high	17 Å²	17	63.6 Å²	63.6	10%	0.103	31%	0.309	C	S	.	.			trans	-81	103.3	174.5	177.9	0	0	0	0	108.6	F565 F606 K607 Y611 V612 F615	F565-V609 HydrophobicContact CE1-CG2 3.72Å; F565-V609 HydrophobicContact CZ-CG2 3.79Å; F606-V609 VanDerWaalsContact O-CB 3.29Å; F606-V609 WeakPolarHBondContact O-CB 3.32Å; F606-V609 PolarHBondContact O-N 2.97Å; K607-V609 VanDerWaalsContact C-N 3.35Å; V609-Y611 HydrophobicContact CB-CE1 4.4Å; V609-Y611 HydrophobicContact CG1-CD1 3.98Å; V609-Y611 HydrophobicContact CG1-CE1 3.54Å; V609-Y611 HydrophobicContact CG1-CE2 4.41Å; V609-V612 HydrophobicContact CG1-CG2 3.7Å; V609-F615 HydrophobicContact CB-CD2 3.92Å; V609-F615 HydrophobicContact CB-CE2 4.16Å; V609-F615 HydrophobicContact CG1-CD2 3.85Å; V609-F615 HydrophobicContact CG1-CE2 3.89Å; V609-F615 HydrophobicContact CG2-CD2 4.28Å; V609-F615 HydrophobicContact CG2-CE2 4.13Å
610	D	90.2	Very high	93.8	Very high	119 Å²	119	65.9 Å²	65.9	64%	0.636	32%	0.323	S	S	*	.			trans	-109.8	-16.1	-174.9	57.9	-1.1	0	0	0	113.9	E608 V612	E608-D610 PolarHBondContact O-N 3.31Å; D610-V612 PolarHBondContact O-N 2.98Å
611	Y	91.3	Very high	93.5	Very high	65 Å²	65	63.2 Å²	63.2	26%	0.255	31%	0.307	S	S	.	.	S	Bend	trans	-76	-8.7	179.4	62.5	-91.2	0	0	0	114	Y572 N576 L580 V609	Y572-Y611 HydrophobicContact CD1-CD2 4.19Å; Y572-Y611 HydrophobicContact CD1-CE2 4.14Å; Y572-Y611 AromaticContact CE1-CD1 3.95Å; Y572-Y611 HydrophobicContact CE1-CD1 3.95Å; Y572-Y611 AromaticContact CE1-CD2 3.52Å; Y572-Y611 HydrophobicContact CE1-CD2 3.52Å; Y572-Y611 HydrophobicContact CE1-CE1 4.18Å; Y572-Y611 AromaticContact CE1-CE2 3.75Å; Y572-Y611 HydrophobicContact CE1-CE2 3.75Å; Y572-Y611 AromaticContact CE1-CG 3.63Å; Y572-Y611 HydrophobicContact CE1-CG 3.63Å; N576-Y611 PolarHBondContact ND2-OH 3.41Å; N576-Y611 PolarHBondContact OD1-OH 3.45Å; L580-Y611 HydrophobicContact CD1-CE2 3.81Å; V609-Y611 HydrophobicContact CB-CE1 4.4Å; V609-Y611 HydrophobicContact CG1-CD1 3.98Å; V609-Y611 HydrophobicContact CG1-CE1 3.54Å; V609-Y611 HydrophobicContact CG1-CE2 4.41Å
612	V	92.4	Very high	93.3	Very high	40 Å²	40	61 Å²	61	24%	0.242	29%	0.293	C	S	.	.			trans	-143.5	151.4	171	-70	0	0	0	0	111.2	L580 V609 D610	L580-V612 HydrophobicContact CD1-CG1 3.96Å; L580-V612 HydrophobicContact CD1-CG2 3.93Å; L580-V612 HydrophobicContact CD2-CG2 3.74Å; L580-V612 HydrophobicContact CG-CG2 4.47Å; V609-V612 HydrophobicContact CG1-CG2 3.7Å; D610-V612 PolarHBondContact O-N 2.98Å
613	N	93.8	Very high	93.1	Very high	113 Å²	113	64.5 Å²	64.5	60%	0.604	31%	0.31	S	S	*	.	S	Bend	trans	-89.3	-2.3	-180	-68.7	-39.8	0	0	0	114	F615 Q616 L617	N613-F615 PolarHBondContact O-N 3.45Å; N613-Q616 PolarHBondContact O-N 2.95Å; N613-L617 HydrophobicContact CB-CD1 3.91Å; N613-L617 HydrophobicContact CB-CG 4.07Å; N613-L617 WeakPolarHBondContact O-CB 3.5Å; N613-L617 VanDerWaalsContact O-CG 3.29Å; N613-L617 WeakPolarHBondContact O-CG 3.45Å; N613-L617 PolarHBondContact O-N 3.23Å
614	T	94.9	Very high	92.9	Very high	15 Å²	15	67.8 Å²	67.8	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-50.4	-50.2	-171.6	-61.5	0	0	0	0	112.9	F583 E584 L617 L618	F583-T614 HydrophobicContact CB-CG2 3.85Å; E584-T614 HydrophobicContact CB-CG2 3.97Å; E584-T614 WeakPolarHBondContact OE2-CG2 3.12Å; E584-T614 PolarHBondContact OE2-OG1 2.89Å; T614-L617 PolarHBondContact O-N 3.45Å; T614-L618 WeakPolarHBondContact O-CB 3.43Å; T614-L618 PolarHBondContact O-N 2.71Å
615	F	95.8	Very high	92.6	Very high	4 Å²	4	63 Å²	63	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-72.3	-37.9	-177.1	-58.9	-70.3	0	0	0	113	F565 L580 F583 F606 V609 N613 L618 R619	F565-F615 HydrophobicContact CE1-CE2 4.41Å; F565-F615 HydrophobicContact CE1-CZ 4.4Å; F565-F615 HydrophobicContact CE2-CE2 4.35Å; F565-F615 HydrophobicContact CE2-CZ 4.16Å; F565-F615 AromaticContact CZ-CE2 3.82Å; F565-F615 HydrophobicContact CZ-CE2 3.82Å; F565-F615 AromaticContact CZ-CZ 3.94Å; F565-F615 HydrophobicContact CZ-CZ 3.94Å; L580-F615 HydrophobicContact CD2-CE2 3.61Å; L580-F615 HydrophobicContact CD2-CZ 3.89Å; F583-F615 HydrophobicContact CB-CE1 4.03Å; F583-F615 HydrophobicContact CD1-CE1 4.04Å; F583-F615 AromaticContact CD2-CE1 3.53Å; F583-F615 HydrophobicContact CD2-CE1 3.53Å; F583-F615 AromaticContact CD2-CZ 3.73Å; F583-F615 HydrophobicContact CD2-CZ 3.73Å; F583-F615 HydrophobicContact CE1-CE1 4.42Å; F583-F615 AromaticContact CE2-CE1 3.98Å; F583-F615 HydrophobicContact CE2-CE1 3.98Å; F583-F615 HydrophobicContact CE2-CZ 4.15Å; F583-F615 HydrophobicContact CG-CD1 4.49Å; F583-F615 AromaticContact CG-CE1 3.59Å; F583-F615 HydrophobicContact CG-CE1 3.59Å; F583-F615 HydrophobicContact CG-CZ 4.21Å; F583-F615 HydrophobicContact CZ-CE1 4.41Å; F606-F615 HydrophobicContact CB-CB 3.87Å; F606-F615 HydrophobicContact CB-CD1 3.66Å; F606-F615 HydrophobicContact CB-CD2 3.86Å; F606-F615 HydrophobicContact CB-CE1 4.11Å; F606-F615 HydrophobicContact CB-CE2 4.28Å; F606-F615 HydrophobicContact CB-CG 3.52Å; F606-F615 HydrophobicContact CB-CZ 4.4Å; F606-F615 AromaticContact CD1-CD1 3.93Å; F606-F615 HydrophobicContact CD1-CD1 3.93Å; F606-F615 HydrophobicContact CD1-CD2 4.36Å; F606-F615 AromaticContact CD1-CE1 3.45Å; F606-F615 HydrophobicContact CD1-CE1 3.45Å; F606-F615 VanDerWaalsContact CD1-CE1 3.45Å; F606-F615 AromaticContact CD1-CE2 3.93Å; F606-F615 HydrophobicContact CD1-CE2 3.93Å; F606-F615 HydrophobicContact CD1-CG 4.36Å; F606-F615 AromaticContact CD1-CZ 3.45Å; F606-F615 HydrophobicContact CD1-CZ 3.45Å; F606-F615 VanDerWaalsContact CD1-CZ 3.45Å; F606-F615 AromaticContact CD2-CD1 3.58Å; F606-F615 HydrophobicContact CD2-CD1 3.58Å; F606-F615 AromaticContact CD2-CE1 3.68Å; F606-F615 HydrophobicContact CD2-CE1 3.68Å; F606-F615 HydrophobicContact CD2-CG 4.34Å; F606-F615 HydrophobicContact CE1-CD1 4.45Å; F606-F615 AromaticContact CE1-CE1 3.63Å; F606-F615 HydrophobicContact CE1-CE1 3.63Å; F606-F615 AromaticContact CE1-CZ 3.71Å; F606-F615 HydrophobicContact CE1-CZ 3.71Å; F606-F615 HydrophobicContact CE2-CD1 4.14Å; F606-F615 AromaticContact CE2-CE1 3.85Å; F606-F615 HydrophobicContact CE2-CE1 3.85Å; F606-F615 AromaticContact CG-CD1 3.45Å; F606-F615 HydrophobicContact CG-CD1 3.45Å; F606-F615 VanDerWaalsContact CG-CD1 3.45Å; F606-F615 HydrophobicContact CG-CD2 4.24Å; F606-F615 AromaticContact CG-CE1 3.47Å; F606-F615 HydrophobicContact CG-CE1 3.47Å; F606-F615 VanDerWaalsContact CG-CE1 3.47Å; F606-F615 HydrophobicContact CG-CE2 4.25Å; F606-F615 AromaticContact CG-CG 3.85Å; F606-F615 HydrophobicContact CG-CG 3.85Å; F606-F615 AromaticContact CG-CZ 3.89Å; F606-F615 HydrophobicContact CG-CZ 3.89Å; F606-F615 AromaticContact CZ-CE1 3.81Å; F606-F615 HydrophobicContact CZ-CE1 3.81Å; F606-F615 HydrophobicContact CZ-CZ 4.33Å; V609-F615 HydrophobicContact CB-CD2 3.92Å; V609-F615 HydrophobicContact CB-CE2 4.16Å; V609-F615 HydrophobicContact CG1-CD2 3.85Å; V609-F615 HydrophobicContact CG1-CE2 3.89Å; V609-F615 HydrophobicContact CG2-CD2 4.28Å; V609-F615 HydrophobicContact CG2-CE2 4.13Å; N613-F615 PolarHBondContact O-N 3.45Å; F615-L618 PolarHBondContact O-N 3.45Å; F615-R619 PolarHBondContact O-N 2.84Å
616	Q	94.9	Very high	92.3	Very high	84 Å²	84	63 Å²	63	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-45.2	174.5	-66.9	-64.9	1.6	0	0	111	N613 L618 R619 V620	N613-Q616 PolarHBondContact O-N 2.95Å; Q616-L618 VanDerWaalsContact C-N 3.3Å; Q616-L618 PolarHBondContact O-N 2.86Å; Q616-R619 PolarHBondContact O-N 3.23Å; Q616-V620 WeakPolarHBondContact O-CG2 3.2Å; Q616-V620 PolarHBondContact O-N 3.02Å
617	L	95.1	Very high	92.1	Very high	77 Å²	77	64.4 Å²	64.4	40%	0.403	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-33.5	176.4	-65.6	174.2	0	0	0	112	R587 N613 T614 R621	R587-L617 VanDerWaalsContact CD-CB 3.49Å; N613-L617 HydrophobicContact CB-CD1 3.91Å; N613-L617 HydrophobicContact CB-CG 4.07Å; N613-L617 WeakPolarHBondContact O-CB 3.5Å; N613-L617 VanDerWaalsContact O-CG 3.29Å; N613-L617 WeakPolarHBondContact O-CG 3.45Å; N613-L617 PolarHBondContact O-N 3.23Å; T614-L617 PolarHBondContact O-N 3.45Å; L617-R621 WeakPolarHBondContact O-CB 3.4Å; L617-R621 PolarHBondContact O-N 2.64Å
618	L	94.5	Very high	92	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-42.2	172.8	-173.8	67.8	0	0	0	111.4	I586 R587 A595 I598 V599 T614 F615 Q616 R621 Y622	I586-L618 HydrophobicContact CG2-CD1 4.38Å; R587-L618 HydrophobicContact CB-CD1 3.86Å; R587-L618 HydrophobicContact CG-CB 4.37Å; R587-L618 HydrophobicContact CG-CD1 4.12Å; A595-L618 HydrophobicContact CB-CD1 3.82Å; I598-L618 HydrophobicContact CB-CD2 4.25Å; I598-L618 HydrophobicContact CG2-CD2 3.68Å; V599-L618 HydrophobicContact CG2-CD2 4.4Å; V599-L618 HydrophobicContact CG2-CG 4.09Å; T614-L618 WeakPolarHBondContact O-CB 3.43Å; T614-L618 PolarHBondContact O-N 2.71Å; F615-L618 PolarHBondContact O-N 3.45Å; Q616-L618 VanDerWaalsContact C-N 3.3Å; Q616-L618 PolarHBondContact O-N 2.86Å; L618-R621 PolarHBondContact O-N 2.98Å; L618-Y622 PolarHBondContact O-N 3.22Å
619	R	94.3	Very high	91.7	Very high	99 Å²	99	58.1 Å²	58.1	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-47.2	174.4	176.4	175.5	172.9	176.8	2.1	112.5	V599 F603 F615 Q616 R621 Y622 E623	V599-R619 HydrophobicContact CG1-CB 4.44Å; V599-R619 HydrophobicContact CG1-CG 4.3Å; V599-R619 HydrophobicContact CG2-CB 4.49Å; F603-R619 HydrophobicContact CD2-CB 4Å; F603-R619 VanDerWaalsContact CE1-NH1 3.26Å; F603-R619 HydrophobicContact CE2-CB 3.51Å; F603-R619 HydrophobicContact CE2-CG 4.12Å; F603-R619 HydrophobicContact CZ-CB 4.1Å; F603-R619 HydrophobicContact CZ-CG 4.31Å; F615-R619 PolarHBondContact O-N 2.84Å; Q616-R619 PolarHBondContact O-N 3.23Å; R619-R621 PolarHBondContact O-N 3.08Å; R619-Y622 WeakPolarHBondContact O-CB 3.41Å; R619-Y622 PolarHBondContact O-N 3.34Å; R619-Y622 VanDerWaalsContact O-N 3.09Å; R619-E623 HydrophobicContact CG-CG 4.45Å; R619-E623 IonicContact CZ-OE1 3.36Å; R619-E623 IonicContact NE-OE1 3.55Å; R619-E623 PolarHBondContact NE-OE1 3.26Å; R619-E623 IonicContact NH2-OE1 2.65Å; R619-E623 WeakPolarHBondContact O-CG 3.39Å; R619-E623 PolarHBondContact O-N 3.11Å
620	V	93.5	Very high	91.3	Very high	65 Å²	65	60.4 Å²	60.4	39%	0.394	30%	0.302	S	S	.	.	H	α-helix	trans	-55.8	-42	175.2	173.3	0	0	0	0	110.4	Q616 Y622 E623 Q624	Q616-V620 WeakPolarHBondContact O-CG2 3.2Å; Q616-V620 PolarHBondContact O-N 3.02Å; V620-Y622 PolarHBondContact O-N 2.76Å; V620-E623 PolarHBondContact O-N 2.94Å; V620-Q624 VanDerWaalsContact O-CG 3.3Å; V620-Q624 WeakPolarHBondContact O-CG 3.49Å; V620-Q624 PolarHBondContact O-N 3.22Å
621	R	90	Very high	91.1	Very high	66 Å²	66	58.6 Å²	58.6	25%	0.249	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-40.8	177.9	-170.7	62	178.2	154.9	-2.4	112.3	N590 L617 L618 R619 Q624 Q625	N590-R621 PolarHBondContact ND2-NH2 3.05Å; N590-R621 PolarHBondContact OD1-NE 2.97Å; N590-R621 PolarHBondContact OD1-NH2 3.44Å; N590-R621 VanDerWaalsContact OD1-NH2 3.16Å; L617-R621 WeakPolarHBondContact O-CB 3.4Å; L617-R621 PolarHBondContact O-N 2.64Å; L618-R621 PolarHBondContact O-N 2.98Å; R619-R621 PolarHBondContact O-N 3.08Å; R621-Q624 PolarHBondContact O-N 3.3Å; R621-Q625 VanDerWaalsContact O-CG 3.28Å; R621-Q625 WeakPolarHBondContact O-CG 3.44Å; R621-Q625 PolarHBondContact O-N 3.32Å; R621-Q625 VanDerWaalsContact O-N 3.08Å
622	Y	93.2	Very high	90.5	Very high	33 Å²	33	62.7 Å²	62.7	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-44.5	174.5	169.7	-112.6	0	0	0	112.4	A596 V599 E600 L618 R619 V620 Q624 Q625 L626	A596-Y622 HydrophobicContact CB-CD2 3.79Å; A596-Y622 HydrophobicContact CB-CE2 3.63Å; V599-Y622 HydrophobicContact CB-CD1 3.95Å; V599-Y622 HydrophobicContact CB-CG 4.1Å; V599-Y622 HydrophobicContact CG1-CD1 3.49Å; V599-Y622 VanDerWaalsContact CG1-CD1 3.49Å; V599-Y622 HydrophobicContact CG1-CE1 4.02Å; V599-Y622 HydrophobicContact CG1-CG 4.12Å; V599-Y622 HydrophobicContact CG2-CG 4.36Å; E600-Y622 HydrophobicContact CG-CE1 4.48Å; E600-Y622 PolarHBondContact OE1-OH 2.84Å; L618-Y622 PolarHBondContact O-N 3.22Å; R619-Y622 WeakPolarHBondContact O-CB 3.41Å; R619-Y622 PolarHBondContact O-N 3.34Å; R619-Y622 VanDerWaalsContact O-N 3.09Å; V620-Y622 PolarHBondContact O-N 2.76Å; Y622-Q624 VanDerWaalsContact C-N 3.32Å; Y622-Q624 PolarHBondContact O-N 3.15Å; Y622-Q625 WeakPolarHBondContact O-CB 3.34Å; Y622-Q625 PolarHBondContact O-N 3.33Å; Y622-Q625 VanDerWaalsContact O-N 3.09Å; Y622-L626 HydrophobicContact CD1-CD1 4.27Å; Y622-L626 HydrophobicContact CD2-CG 4.44Å; Y622-L626 HydrophobicContact CE1-CD1 3.6Å; Y622-L626 HydrophobicContact CE1-CG 4.22Å; Y622-L626 HydrophobicContact CE2-CD1 4.17Å; Y622-L626 HydrophobicContact CE2-CD2 4.05Å; Y622-L626 HydrophobicContact CE2-CG 3.91Å; Y622-L626 PolarHBondContact O-N 2.96Å
623	E	93.1	Very high	90.1	Very high	89 Å²	89	71 Å²	71	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-38.9	177.3	-70.1	173.5	-179.7	0	0	111.8	R619 V620 L626 A627	R619-E623 HydrophobicContact CG-CG 4.45Å; R619-E623 IonicContact CZ-OE1 3.36Å; R619-E623 IonicContact NE-OE1 3.55Å; R619-E623 PolarHBondContact NE-OE1 3.26Å; R619-E623 IonicContact NH2-OE1 2.65Å; R619-E623 WeakPolarHBondContact O-CG 3.39Å; R619-E623 PolarHBondContact O-N 3.11Å; V620-E623 PolarHBondContact O-N 2.94Å; E623-L626 PolarHBondContact O-N 2.92Å; E623-A627 PolarHBondContact O-N 2.98Å
624	Q	90.6	Very high	89.5	Confident	88 Å²	88	70.8 Å²	70.8	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-44.7	171	-72.6	171.9	-2.8	0	0	111.8	V620 R621 Y622 L626 A627 E628	V620-Q624 VanDerWaalsContact O-CG 3.3Å; V620-Q624 WeakPolarHBondContact O-CG 3.49Å; V620-Q624 PolarHBondContact O-N 3.22Å; R621-Q624 PolarHBondContact O-N 3.3Å; Y622-Q624 VanDerWaalsContact C-N 3.32Å; Y622-Q624 PolarHBondContact O-N 3.15Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 3.31Å; Q624-A627 PolarHBondContact O-N 3.11Å; Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 3.45Å
625	Q	89	Confident	88.7	Confident	23 Å²	23	73.4 Å²	73.4	11%	0.107	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-38.4	178	-70.4	168.5	14.6	0	0	112.3	N590 K592 R621 Y622 G629	N590-Q625 PolarHBondContact OD1-NE2 3.05Å; K592-Q625 HydrophobicContact CD-CG 4.23Å; K592-Q625 HydrophobicContact CG-CG 4.49Å; R621-Q625 VanDerWaalsContact O-CG 3.28Å; R621-Q625 WeakPolarHBondContact O-CG 3.44Å; R621-Q625 PolarHBondContact O-N 3.32Å; R621-Q625 VanDerWaalsContact O-N 3.08Å; Y622-Q625 WeakPolarHBondContact O-CB 3.34Å; Y622-Q625 PolarHBondContact O-N 3.33Å; Y622-Q625 VanDerWaalsContact O-N 3.09Å; Q625-G629 PolarHBondContact O-N 3.21Å
626	L	89.6	Confident	88	Confident	80 Å²	80	79.2 Å²	79.2	42%	0.419	39%	0.394	S	S	.	.	H	α-helix	trans	-64	-43.5	173.4	-73	-179.6	0	0	0	111.8	Y622 E623 Q624 G629 Y630	Y622-L626 HydrophobicContact CD1-CD1 4.27Å; Y622-L626 HydrophobicContact CD2-CG 4.44Å; Y622-L626 HydrophobicContact CE1-CD1 3.6Å; Y622-L626 HydrophobicContact CE1-CG 4.22Å; Y622-L626 HydrophobicContact CE2-CD1 4.17Å; Y622-L626 HydrophobicContact CE2-CD2 4.05Å; Y622-L626 HydrophobicContact CE2-CG 3.91Å; Y622-L626 PolarHBondContact O-N 2.96Å; E623-L626 PolarHBondContact O-N 2.92Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 3.31Å; L626-G629 PolarHBondContact O-N 3.36Å; L626-Y630 WeakPolarHBondContact O-CB 3.43Å; L626-Y630 PolarHBondContact O-N 3Å
627	A	88.6	Confident	86.9	Confident	31 Å²	31	80 Å²	80	26%	0.256	41%	0.407	S	S	.	.	H	α-helix	trans	-63.2	-45.5	177.2	0	0	0	0	0	111.6	E623 Q624 Y630 I631	E623-A627 PolarHBondContact O-N 2.98Å; Q624-A627 PolarHBondContact O-N 3.11Å; A627-Y630 PolarHBondContact O-N 3.46Å; A627-I631 WeakPolarHBondContact O-CD1 3.37Å; A627-I631 VanDerWaalsContact O-CG1 3.25Å; A627-I631 WeakPolarHBondContact O-CG1 3.21Å; A627-I631 PolarHBondContact O-N 3.49Å
628	E	86.7	Confident	85.7	Confident	82 Å²	82	80.4 Å²	80.4	38%	0.383	41%	0.409	S	S	.	.	H	α-helix	trans	-56.3	-50.2	173.1	-74	172.1	-169.8	0	0	111.2	K592 Q624 Y630 I631 L632	K592-E628 IonicContact NZ-OE2 3.57Å; Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 3.45Å; E628-Y630 VanDerWaalsContact C-N 3.34Å; E628-Y630 PolarHBondContact O-N 3.41Å; E628-I631 PolarHBondContact O-N 3.2Å; E628-L632 WeakPolarHBondContact O-CG 3.2Å; E628-L632 PolarHBondContact O-N 3.44Å
629	G	83	Confident	84.5	Confident	28 Å²	28	84.5 Å²	84.5	29%	0.289	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-36.6	179.6	0	0	0	0	0	113.5	Q625 L626 R633	Q625-G629 PolarHBondContact O-N 3.21Å; L626-G629 PolarHBondContact O-N 3.36Å; G629-R633 WeakPolarHBondContact O-CG 3.42Å; G629-R633 PolarHBondContact O-N 2.92Å; G629-R633 VanDerWaalsContact O-N 3.12Å
630	Y	83.4	Confident	82.3	Confident	65 Å²	65	85.2 Å²	85.2	26%	0.255	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-42.7	176.1	-174.1	-91.7	0	0	0	112	L626 A627 E628 L632 R633 H634 K636 L638	L626-Y630 WeakPolarHBondContact O-CB 3.43Å; L626-Y630 PolarHBondContact O-N 3Å; A627-Y630 PolarHBondContact O-N 3.46Å; E628-Y630 VanDerWaalsContact C-N 3.34Å; E628-Y630 PolarHBondContact O-N 3.41Å; Y630-L632 VanDerWaalsContact C-N 3.33Å; Y630-L632 PolarHBondContact O-N 3.26Å; Y630-R633 PolarHBondContact O-N 2.88Å; Y630-H634 HydrophobicContact CD1-CB 4.36Å; Y630-H634 AromaticContact CD2-CD2 3.25Å; Y630-H634 WeakPolarHBondContact CD2-CD2 3.25Å; Y630-H634 AromaticContact CD2-NE2 3.81Å; Y630-H634 HydrophobicContact CE1-CB 4Å; Y630-H634 HydrophobicContact CE2-CB 4.49Å; Y630-H634 AromaticContact CE2-CD2 3.18Å; Y630-H634 WeakPolarHBondContact CE2-CD2 3.17Å; Y630-H634 AromaticContact CE2-CG 3.89Å; Y630-H634 AromaticContact CE2-NE2 3.61Å; Y630-H634 AromaticContact CG-CD2 3.77Å; Y630-H634 AromaticContact CZ-CD2 3.64Å; Y630-H634 AromaticContact CZ-CG 3.89Å; Y630-H634 WeakPolarHBondContact O-CB 3.41Å; Y630-H634 PolarHBondContact O-CD2 3.25Å; Y630-H634 PolarHBondContact O-N 3.05Å; Y630-K636 WeakPolarHBondContact CD1-O 3.43Å; Y630-K636 HydrophobicContact CE1-CG 4.18Å; Y630-K636 WeakPolarHBondContact CE1-O 3.34Å; Y630-L638 HydrophobicContact CD1-CB 4.05Å; Y630-L638 HydrophobicContact CD1-CD1 3.77Å; Y630-L638 HydrophobicContact CD2-CD1 3.27Å; Y630-L638 HydrophobicContact CE1-CD1 4.22Å; Y630-L638 HydrophobicContact CE2-CD1 3.78Å; Y630-L638 HydrophobicContact CG-CB 4.26Å; Y630-L638 HydrophobicContact CG-CD1 3.27Å; Y630-L638 HydrophobicContact CG-CG 4.37Å
631	I	85.4	Confident	79.9	Confident	80 Å²	80	91.7 Å²	91.7	41%	0.41	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-45.5	175.2	-69.4	163.6	0	0	0	110.3	A627 E628 R633 G635	A627-I631 WeakPolarHBondContact O-CD1 3.37Å; A627-I631 VanDerWaalsContact O-CG1 3.25Å; A627-I631 WeakPolarHBondContact O-CG1 3.21Å; A627-I631 PolarHBondContact O-N 3.49Å; E628-I631 PolarHBondContact O-N 3.2Å; I631-R633 VanDerWaalsContact C-N 3.27Å; I631-R633 PolarHBondContact O-N 2.8Å; I631-G635 VanDerWaalsContact O-CA 3.29Å; I631-G635 WeakPolarHBondContact O-CA 3.41Å; I631-G635 PolarHBondContact O-N 3.19Å
632	L	79.3	Confident	77.3	Confident	152 Å²	152	92.6 Å²	92.6	80%	0.796	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-34	177.1	-72.7	169.4	0	0	0	112.9	E628 Y630	E628-L632 WeakPolarHBondContact O-CG 3.2Å; E628-L632 PolarHBondContact O-N 3.44Å; Y630-L632 VanDerWaalsContact C-N 3.33Å; Y630-L632 PolarHBondContact O-N 3.26Å
633	R	82.3	Confident	74.5	Confident	213 Å²	213	96.3 Å²	96.3	80%	0.804	55%	0.547	S	S	*	.	H	α-helix	trans	-86	-34.2	-178.9	-73.2	178.5	-177.2	-179.3	2.5	114.4	G629 Y630 I631	G629-R633 WeakPolarHBondContact O-CG 3.42Å; G629-R633 PolarHBondContact O-N 2.92Å; G629-R633 VanDerWaalsContact O-N 3.12Å; Y630-R633 PolarHBondContact O-N 2.88Å; I631-R633 VanDerWaalsContact C-N 3.27Å; I631-R633 PolarHBondContact O-N 2.8Å
634	H	82.4	Confident	71.7	Confident	109 Å²	109	100.8 Å²	100.8	51%	0.505	57%	0.567	S	S	.	*	H	α-helix	trans	-118.4	-4.3	-169.3	-62.3	-73.1	0	0	0	114.1	Y630 K636	Y630-H634 HydrophobicContact CD1-CB 4.36Å; Y630-H634 AromaticContact CD2-CD2 3.25Å; Y630-H634 WeakPolarHBondContact CD2-CD2 3.25Å; Y630-H634 AromaticContact CD2-NE2 3.81Å; Y630-H634 HydrophobicContact CE1-CB 4Å; Y630-H634 HydrophobicContact CE2-CB 4.49Å; Y630-H634 AromaticContact CE2-CD2 3.18Å; Y630-H634 WeakPolarHBondContact CE2-CD2 3.17Å; Y630-H634 AromaticContact CE2-CG 3.89Å; Y630-H634 AromaticContact CE2-NE2 3.61Å; Y630-H634 AromaticContact CG-CD2 3.77Å; Y630-H634 AromaticContact CZ-CD2 3.64Å; Y630-H634 AromaticContact CZ-CG 3.89Å; Y630-H634 WeakPolarHBondContact O-CB 3.41Å; Y630-H634 PolarHBondContact O-CD2 3.25Å; Y630-H634 PolarHBondContact O-N 3.05Å; H634-K636 HydrophobicContact CB-CG 4.33Å; H634-K636 PolarHBondContact O-N 3.03Å
635	G	78	Confident	68.9	Low	70 Å²	70	106.6 Å²	106.6	72%	0.722	59%	0.591	S	S	*	*	S	Bend	trans	67.5	9.5	179.7	0	0	0	0	0	114.9	I631	I631-G635 VanDerWaalsContact O-CA 3.29Å; I631-G635 WeakPolarHBondContact O-CA 3.41Å; I631-G635 PolarHBondContact O-N 3.19Å
636	K	80.1	Confident	66.1	Low	127 Å²	127	113.7 Å²	113.7	55%	0.552	62%	0.624	S	S	*	*	S	Bend	trans	-143.8	154.8	-178.8	64.4	-177.6	177.7	-179	0	111.7	Y630 H634	Y630-K636 WeakPolarHBondContact CD1-O 3.43Å; Y630-K636 HydrophobicContact CE1-CG 4.18Å; Y630-K636 WeakPolarHBondContact CE1-O 3.34Å; H634-K636 HydrophobicContact CB-CG 4.33Å; H634-K636 PolarHBondContact O-N 3.03Å
637	P	73.4	Confident	63.3	Low	100 Å²	100	119.6 Å²	119.6	65%	0.649	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-60.6	149.5	178.3	-21.3	32.6	0	0	0	113	A639	P637-A639 PolarHBondContact O-N 3.4Å
638	L	69.5	Low	60.7	Low	85 Å²	85	124 Å²	124	45%	0.445	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-61.7	126.6	168.5	-159	82.6	0	0	0	108.3	Y630 S640	Y630-L638 HydrophobicContact CD1-CB 4.05Å; Y630-L638 HydrophobicContact CD1-CD1 3.77Å; Y630-L638 HydrophobicContact CD2-CD1 3.27Å; Y630-L638 HydrophobicContact CE1-CD1 4.22Å; Y630-L638 HydrophobicContact CE2-CD1 3.78Å; Y630-L638 HydrophobicContact CG-CB 4.26Å; Y630-L638 HydrophobicContact CG-CD1 3.27Å; Y630-L638 HydrophobicContact CG-CG 4.37Å; L638-S640 PolarHBondContact O-N 3.35Å; L638-S640 VanDerWaalsContact O-N 3.1Å
639	A	68.1	Low	58	Low	89 Å²	89	123.8 Å²	123.8	74%	0.736	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-61.6	116.7	178.1	0	0	0	0	0	109.5	P637 K641	P637-A639 PolarHBondContact O-N 3.4Å; A639-K641 PolarHBondContact O-N 2.9Å
640	S	49	Very low	55.6	Low	114 Å²	114	130.6 Å²	130.6	80%	0.797	70%	0.702	S	S	*	*			trans	-60.1	111.3	177.9	58.5	0	0	0	0	109.2	L638 G642	L638-S640 PolarHBondContact O-N 3.35Å; L638-S640 VanDerWaalsContact O-N 3.1Å; S640-G642 PolarHBondContact O-N 3.05Å; S640-G642 VanDerWaalsContact O-N 3.11Å
641	K	42.8	Very low	53	Low	202 Å²	202	136.9 Å²	136.9	88%	0.878	73%	0.726	S	S	*	*			trans	-63.4	114.2	161.2	-78.6	-173.1	175.8	-179	0	106.1	A639 S643	A639-K641 PolarHBondContact O-N 2.9Å; K641-S643 PolarHBondContact O-N 3.29Å
642	G	34.8	Very low	50.3	Low	84 Å²	84	139.8 Å²	139.8	87%	0.866	74%	0.743	S	S	*	*			trans	-57.2	109.6	-178	0	0	0	0	0	110.6	S640	S640-G642 PolarHBondContact O-N 3.05Å; S640-G642 VanDerWaalsContact O-N 3.11Å
643	S	36.4	Very low	48	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	73%	0.733	S	S	*	*			trans	-120.3	136.7	157.5	56.9	0	0	0	0	107.3	K641	K641-S643 PolarHBondContact O-N 3.29Å
644	E	33.3	Very low	45.5	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	74%	0.735	S	S	*	*			trans	-45.2	140.2	-163.6	-72	159.1	148.2	0	0	114.9	E646	E644-E646 PolarHBondContact O-N 2.92Å
645	K	31.4	Very low	43.2	Very low	211 Å²	211	142 Å²	142	92%	0.917	75%	0.748	S	S	*	*			trans	-63.5	76.6	166.3	-68.9	177	175.1	178	0	109.4	K647	K645-K647 PolarHBondContact O-N 3.09Å
646	E	31.7	Very low	41.1	Very low	171 Å²	171	144.1 Å²	144.1	80%	0.799	75%	0.747	S	S	*	*			trans	-70.7	122.6	156.1	-83	-169.2	151.8	0	0	107.9	E644 V648	E644-E646 PolarHBondContact O-N 2.92Å; E646-V648 VanDerWaalsContact C-N 3.3Å; E646-V648 PolarHBondContact O-N 3.15Å
647	K	30.5	Very low	38.8	Very low	204 Å²	204	145.2 Å²	145.2	89%	0.887	76%	0.759	S	S	*	*			trans	-58.4	90.2	179.9	-70.7	169.4	174.3	173.7	0	109.2	K645 S649	K645-K647 PolarHBondContact O-N 3.09Å; K647-S649 PolarHBondContact O-N 2.97Å
648	V	33.1	Very low	36.8	Very low	125 Å²	125	151.9 Å²	151.9	76%	0.758	77%	0.771	S	S	*	*			trans	-69.2	92.4	160.1	-177.5	0	0	0	0	105.9	E646 H650	E646-V648 VanDerWaalsContact C-N 3.3Å; E646-V648 PolarHBondContact O-N 3.15Å; V648-H650 PolarHBondContact O-N 3.46Å; V648-H650 VanDerWaalsContact O-N 3.16Å
649	S	31.2	Very low	35	Very low	77 Å²	77	152.3 Å²	152.3	54%	0.538	78%	0.781	S	S	.	*			trans	-51.6	120.1	165.1	40.2	0	0	0	0	107.7	K647 Y651	K647-S649 PolarHBondContact O-N 2.97Å; S649-Y651 PolarHBondContact O-N 2.58Å
650	H	30.9	Very low	33.2	Very low	170 Å²	170	153 Å²	153	79%	0.787	78%	0.78	S	S	*	*			trans	-62.5	82	168.7	-75.2	-12.2	0	0	0	109.1	V648 N652	V648-H650 PolarHBondContact O-N 3.46Å; V648-H650 VanDerWaalsContact O-N 3.16Å; H650-N652 PolarHBondContact O-N 3.2Å
651	Y	29.9	Very low	32.3	Very low	197 Å²	197	154.9 Å²	154.9	77%	0.773	78%	0.782	S	S	*	*			trans	-71.2	89.2	151.9	-75.9	-80.4	0	0	0	106.3	S649 V653	S649-Y651 PolarHBondContact O-N 2.58Å; Y651-V653 PolarHBondContact O-N 3.27Å
652	N	28.5	Very low	32.1	Very low	141 Å²	141	157.1 Å²	157.1	75%	0.754	80%	0.801	S	S	*	*			trans	-60.2	83.2	159.3	-84	-37	0	0	0	107.5	H650 R654	H650-N652 PolarHBondContact O-N 3.2Å; N652-R654 PolarHBondContact O-N 3.27Å
653	V	30.7	Very low	32	Very low	97 Å²	97	160.8 Å²	160.8	59%	0.588	80%	0.798	S	S	*	*			trans	-73.2	91	163.4	-177.7	0	0	0	0	105.6	Y651 Y655	Y651-V653 PolarHBondContact O-N 3.27Å; V653-Y655 HydrophobicContact CB-CE2 4.47Å; V653-Y655 HydrophobicContact CG1-CD2 4.2Å; V653-Y655 HydrophobicContact CG1-CE2 3.97Å; V653-Y655 PolarHBondContact O-N 3.28Å
654	R	29.9	Very low	31.7	Very low	223 Å²	223	163.4 Å²	163.4	84%	0.842	80%	0.798	S	S	*	*			trans	-62.4	102.3	162.8	-80.6	-178.4	173.7	169.5	-1.7	106.8	N652 T656	N652-R654 PolarHBondContact O-N 3.27Å; R654-T656 VanDerWaalsContact C-N 3.32Å; R654-T656 PolarHBondContact O-N 3.48Å
655	Y	35	Very low	31.6	Very low	201 Å²	201	162.3 Å²	162.3	79%	0.788	80%	0.796	S	S	*	*			trans	-67	97.9	158.2	-72.6	-88.8	0	0	0	107.1	V653 N657	V653-Y655 HydrophobicContact CB-CE2 4.47Å; V653-Y655 HydrophobicContact CG1-CD2 4.2Å; V653-Y655 HydrophobicContact CG1-CE2 3.97Å; V653-Y655 PolarHBondContact O-N 3.28Å; Y655-N657 PolarHBondContact O-N 2.84Å
656	T	33.5	Very low	31.7	Very low	115 Å²	115	159.5 Å²	159.5	71%	0.706	79%	0.788	S	S	*	*			trans	-69	107.2	160.6	48.1	0	0	0	0	107.3	R654 R658	R654-T656 VanDerWaalsContact C-N 3.32Å; R654-T656 PolarHBondContact O-N 3.48Å; T656-R658 VanDerWaalsContact C-N 3.31Å; T656-R658 PolarHBondContact O-N 3.21Å
657	N	32.4	Very low	31.7	Very low	150 Å²	150	158.8 Å²	158.8	80%	0.802	79%	0.788	S	S	*	*			trans	-57.7	96.7	161	-82.5	-13	0	0	0	108.2	Y655	Y655-N657 PolarHBondContact O-N 2.84Å
658	R	30.5	Very low	31.7	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	78%	0.781	S	S	*	*			trans	-97.1	78.9	154.7	-81.4	-170.8	177.6	-176.5	-1.5	107.5	T656	T656-R658 VanDerWaalsContact C-N 3.31Å; T656-R658 PolarHBondContact O-N 3.21Å
659	S	30.6	Very low	31.6	Very low	93 Å²	93	157.9 Å²	157.9	65%	0.65	78%	0.783	S	S	*	*			trans	-73.2	148.1	145.2	37.5	0	0	0	0	108.3
660	S	31.2	Very low	31.7	Very low	103 Å²	103	164.2 Å²	164.2	72%	0.72	80%	0.802	S	S	*	*			trans	70.8	97.6	178.5	64.1	0	0	0	0	117.6
661	D	30.1	Very low	31.7	Very low	155 Å²	155	163.7 Å²	163.7	83%	0.829	80%	0.803	S	S	*	*				159	99.3	119.6	-76.9	-14.5	0	0	0	110.7
662	I	38.6	Very low	31.9	Very low	249 Å²	249	160.6 Å²	160.6	100%	1.277	81%	0.806	S	S	*	*			trans	-179.5	0	135.8	-83	156.6	0	0	0	106.6

Retrieved 662 of 662 residues in 408.7 ms (Link to these results)

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