A0A3Q0KT66_SCHMA Loading...

Family M13 unassigned peptidase (M13 family)

AlphaFold DB , UniProt , Accession A0A3Q0KT66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 700 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	61.8	Low	222 Å²	222	150.3 Å²	150.3	100%	1.094	70%	0.702	S	S	*	*				0	-23.3	0	-112.5	171.1	175.3	0	0	115.4
2	R	42.5	Very low	63.7	Low	232 Å²	232	145.4 Å²	145.4	88%	0.875	68%	0.683	S	S	*	*			trans	-86.3	-13.1	179.1	-77.1	-175.4	178.7	176.9	-0.1	116.7
3	L	41.9	Very low	65.4	Low	159 Å²	159	143.3 Å²	143.3	83%	0.832	68%	0.678	S	S	*	*	H	α-helix	trans	-85.8	-15.1	-176.9	-85.1	150.5	0	0	0	114.6	T6	L3-T6 PolarHBondContact O-OG1 2.94Å
4	S	53.8	Low	66.7	Low	83 Å²	83	141.9 Å²	141.9	58%	0.58	68%	0.676	S	S	*	*	H	α-helix	trans	-85.9	-22.7	-178.7	56.7	0	0	0	0	114	R8	S4-R8 PolarHBondContact O-N 2.82Å
5	E	55.5	Low	67.9	Low	136 Å²	136	139.9 Å²	139.9	64%	0.636	67%	0.67	S	S	*	*	H	α-helix	trans	-75.7	-35.4	-177	-74.5	-175.8	147.7	0	0	113.2	R8 R9	E5-R8 PolarHBondContact O-N 3.42Å; E5-R9 PolarHBondContact O-N 3.3Å
6	T	57.8	Low	69.1	Low	89 Å²	89	138.1 Å²	138.1	55%	0.546	66%	0.664	S	S	.	*	H	α-helix	trans	-66	-40.7	179	24.1	0	0	0	0	112.3	L3 R8 R9 Q10	L3-T6 PolarHBondContact O-OG1 2.94Å; T6-R8 VanDerWaalsContact C-N 3.35Å; T6-R8 PolarHBondContact O-N 3.44Å; T6-R9 PolarHBondContact O-N 3.29Å; T6-Q10 PolarHBondContact O-N 3.12Å
7	S	74.9	Confident	70.1	Confident	56 Å²	56	137.1 Å²	137.1	39%	0.392	66%	0.662	S	S	.	*	H	α-helix	trans	-64.3	-39.3	174.8	179.5	0	0	0	0	111.9	Q10 K11	S7-Q10 PolarHBondContact O-N 3.06Å; S7-K11 WeakPolarHBondContact O-CG 3.33Å; S7-K11 PolarHBondContact O-N 2.76Å; S7-K11 VanDerWaalsContact O-N 3.16Å
8	R	73.6	Confident	70.9	Confident	190 Å²	190	134.6 Å²	134.6	72%	0.717	66%	0.656	S	S	*	*	H	α-helix	trans	-68	-40.4	179.8	-156.3	176	-174.7	-176.1	1.8	111.9	S4 E5 T6 K11 I12	S4-R8 PolarHBondContact O-N 2.82Å; E5-R8 PolarHBondContact O-N 3.42Å; T6-R8 VanDerWaalsContact C-N 3.35Å; T6-R8 PolarHBondContact O-N 3.44Å; R8-K11 PolarHBondContact O-N 2.84Å; R8-I12 HydrophobicContact CG-CD1 4.26Å; R8-I12 VanDerWaalsContact O-CG1 3.28Å; R8-I12 WeakPolarHBondContact O-CG1 3.3Å; R8-I12 PolarHBondContact O-N 3.07Å; R8-I12 VanDerWaalsContact O-N 3.08Å
9	R	78.9	Confident	71.7	Confident	191 Å²	191	132.1 Å²	132.1	72%	0.721	65%	0.645	S	S	*	*	H	α-helix	trans	-62.7	-42.7	175.4	-78.7	-174.6	175.5	-174.6	-0.4	112.8	E5 T6 I12 L13	E5-R9 PolarHBondContact O-N 3.3Å; T6-R9 PolarHBondContact O-N 3.29Å; R9-I12 PolarHBondContact O-N 2.97Å; R9-L13 PolarHBondContact O-N 2.74Å
10	Q	80.7	Confident	72.3	Confident	144 Å²	144	127.2 Å²	127.2	67%	0.673	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-42.1	177.5	-78.9	178.7	-33.2	0	0	112.3	T6 S7 I12 L13 L14	T6-Q10 PolarHBondContact O-N 3.12Å; S7-Q10 PolarHBondContact O-N 3.06Å; Q10-I12 PolarHBondContact O-N 2.91Å; Q10-L13 PolarHBondContact O-N 2.76Å; Q10-L14 PolarHBondContact O-N 3.15Å
11	K	80.5	Confident	72.8	Confident	151 Å²	151	125.4 Å²	125.4	66%	0.657	63%	0.627	S	S	*	*	H	α-helix	trans	-63.6	-40.5	176.6	-70.7	-178.1	-179.3	-171.7	0	112.5	S7 R8 L14 L15	S7-K11 WeakPolarHBondContact O-CG 3.33Å; S7-K11 PolarHBondContact O-N 2.76Å; S7-K11 VanDerWaalsContact O-N 3.16Å; R8-K11 PolarHBondContact O-N 2.84Å; K11-L14 PolarHBondContact O-N 3.4Å; K11-L15 WeakPolarHBondContact O-CB 3.22Å; K11-L15 PolarHBondContact O-N 2.89Å
12	I	84.9	Confident	74.8	Confident	92 Å²	92	117.2 Å²	117.2	47%	0.472	60%	0.595	S	S	.	*	H	α-helix	trans	-65.7	-42.4	176.7	-67.3	166.3	0	0	0	111	R8 R9 Q10 L15 L16	R8-I12 HydrophobicContact CG-CD1 4.26Å; R8-I12 VanDerWaalsContact O-CG1 3.28Å; R8-I12 WeakPolarHBondContact O-CG1 3.3Å; R8-I12 PolarHBondContact O-N 3.07Å; R8-I12 VanDerWaalsContact O-N 3.08Å; R9-I12 PolarHBondContact O-N 2.97Å; Q10-I12 PolarHBondContact O-N 2.91Å; I12-L15 PolarHBondContact O-N 2.88Å; I12-L16 HydrophobicContact CG2-CD1 4Å; I12-L16 HydrophobicContact CG2-CG 4.46Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.34Å
13	L	85.1	Confident	76.6	Confident	118 Å²	118	109.6 Å²	109.6	62%	0.618	58%	0.576	S	S	*	*	H	α-helix	trans	-61.8	-42.8	176.1	-99.1	146.4	0	0	0	112.2	R9 Q10 L16 L17	R9-L13 PolarHBondContact O-N 2.74Å; Q10-L13 PolarHBondContact O-N 2.76Å; L13-L16 PolarHBondContact O-N 3.19Å; L13-L17 PolarHBondContact O-N 3.43Å; L13-L17 VanDerWaalsContact O-N 3.1Å
14	L	84.2	Confident	78.5	Confident	124 Å²	124	106.7 Å²	106.7	65%	0.649	57%	0.565	S	S	*	*	H	α-helix	trans	-63.8	-42.9	177.2	-148.1	94.5	0	0	0	111.4	Q10 K11 L17 V18	Q10-L14 PolarHBondContact O-N 3.15Å; K11-L14 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.93Å
15	L	85	Confident	79.8	Confident	112 Å²	112	105.3 Å²	105.3	59%	0.586	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-44.1	178.3	-162.9	86.7	0	0	0	111.8	K11 I12 L17 V18 I19	K11-L15 WeakPolarHBondContact O-CB 3.22Å; K11-L15 PolarHBondContact O-N 2.89Å; I12-L15 PolarHBondContact O-N 2.88Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.91Å; L15-V18 PolarHBondContact O-N 3.47Å; L15-I19 HydrophobicContact CD2-CD1 4.25Å; L15-I19 HydrophobicContact CG-CD1 4.15Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.21Å
16	L	87	Confident	81.1	Confident	111 Å²	111	104.3 Å²	104.3	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-63.9	-34.5	177.2	-72.4	170.5	0	0	0	112.3	I12 L13 G20	I12-L16 HydrophobicContact CG2-CD1 4Å; I12-L16 HydrophobicContact CG2-CG 4.46Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.19Å; L16-G20 PolarHBondContact O-N 2.98Å
17	L	85.7	Confident	82.2	Confident	120 Å²	120	104.2 Å²	104.2	63%	0.628	56%	0.555	S	S	*	*	H	α-helix	trans	-68.4	-43.1	176.6	-133	159	0	0	0	111.2	L13 L14 L15 G20 V21	L13-L17 PolarHBondContact O-N 3.43Å; L13-L17 VanDerWaalsContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.37Å; L15-L17 VanDerWaalsContact C-N 3.29Å; L15-L17 PolarHBondContact O-N 2.91Å; L17-G20 PolarHBondContact O-N 3.05Å; L17-V21 HydrophobicContact CD2-CG2 4.4Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.35Å
18	V	84.6	Confident	82.4	Confident	92 Å²	92	103 Å²	103	56%	0.558	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-44	175.7	173.8	0	0	0	0	111.4	L14 L15 G20 V21 A22	L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.93Å; L15-V18 PolarHBondContact O-N 3.47Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 3.33Å; V18-V21 PolarHBondContact O-N 2.84Å; V18-A22 PolarHBondContact O-N 3.17Å
19	I	85.3	Confident	82.8	Confident	87 Å²	87	99.2 Å²	99.2	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.7	-66.6	166.6	0	0	0	110.6	L15 V21 A22 C23	L15-I19 HydrophobicContact CD2-CD1 4.25Å; L15-I19 HydrophobicContact CG-CD1 4.15Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.21Å; I19-V21 PolarHBondContact O-N 3.12Å; I19-A22 PolarHBondContact O-N 3.01Å; I19-C23 WeakPolarHBondContact O-CB 3.43Å; I19-C23 PolarHBondContact O-N 3.14Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.4Å
20	G	83.6	Confident	82.7	Confident	35 Å²	35	92.9 Å²	92.9	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-59.1	-44.9	176.9	0	0	0	0	0	113.3	L16 L17 V18 C23 T24	L16-G20 PolarHBondContact O-N 2.98Å; L17-G20 PolarHBondContact O-N 3.05Å; V18-G20 VanDerWaalsContact C-N 3.32Å; V18-G20 PolarHBondContact O-N 3.33Å; G20-C23 PolarHBondContact O-N 3.32Å; G20-T24 WeakPolarHBondContact O-CG2 3.44Å; G20-T24 PolarHBondContact O-N 3.09Å; G20-T24 VanDerWaalsContact O-N 3.16Å; G20-T24 PolarHBondContact O-OG1 3.02Å
21	V	83.5	Confident	82.5	Confident	90 Å²	90	90.6 Å²	90.6	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-38.1	178.1	175.4	0	0	0	0	111.9	L17 V18 I19 T24 A25	L17-V21 HydrophobicContact CD2-CG2 4.4Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.35Å; V18-V21 PolarHBondContact O-N 2.84Å; I19-V21 PolarHBondContact O-N 3.12Å; V21-T24 PolarHBondContact O-N 2.82Å; V21-T24 PolarHBondContact O-OG1 3.45Å; V21-A25 PolarHBondContact O-N 2.95Å; V21-A25 VanDerWaalsContact O-N 3.16Å
22	A	80.7	Confident	82.2	Confident	50 Å²	50	89.4 Å²	89.4	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-41.7	175.8	0	0	0	0	0	111.8	V18 I19 A25 I26	V18-A22 PolarHBondContact O-N 3.17Å; I19-A22 PolarHBondContact O-N 3.01Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-I26 VanDerWaalsContact O-CG1 3.31Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.98Å; A22-I26 VanDerWaalsContact O-N 3.08Å
23	C	82.2	Confident	81.8	Confident	71 Å²	71	89.4 Å²	89.4	48%	0.48	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-40	177.4	-74.6	0	0	0	0	112.7	I19 G20 I26 V27	I19-C23 WeakPolarHBondContact O-CB 3.43Å; I19-C23 PolarHBondContact O-N 3.14Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.4Å; G20-C23 PolarHBondContact O-N 3.32Å; C23-I26 PolarHBondContact O-N 3.24Å; C23-V27 VanDerWaalsContact O-CG2 3.31Å; C23-V27 WeakPolarHBondContact O-CG2 3.48Å; C23-V27 PolarHBondContact O-N 3.17Å; C23-V27 VanDerWaalsContact O-N 3.08Å
24	T	81.2	Confident	81	Confident	98 Å²	98	89.8 Å²	89.8	60%	0.601	53%	0.528	S	S	*	.	H	α-helix	trans	-68.2	-36.3	177.8	53.6	0	0	0	0	112.3	G20 V21 V27 G28	G20-T24 WeakPolarHBondContact O-CG2 3.44Å; G20-T24 PolarHBondContact O-N 3.09Å; G20-T24 VanDerWaalsContact O-N 3.16Å; G20-T24 PolarHBondContact O-OG1 3.02Å; V21-T24 PolarHBondContact O-N 2.82Å; V21-T24 PolarHBondContact O-OG1 3.45Å; T24-V27 PolarHBondContact O-N 3.42Å; T24-G28 PolarHBondContact O-N 3.4Å
25	A	80.8	Confident	79.9	Confident	54 Å²	54	90 Å²	90	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-44.4	174.5	0	0	0	0	0	112.1	V21 A22 V27 G28 I29	V21-A25 PolarHBondContact O-N 2.95Å; V21-A25 VanDerWaalsContact O-N 3.16Å; A22-A25 PolarHBondContact O-N 3.32Å; A25-V27 PolarHBondContact O-N 3.38Å; A25-G28 PolarHBondContact O-N 2.99Å; A25-I29 WeakPolarHBondContact O-CG1 3.25Å; A25-I29 PolarHBondContact O-N 3.34Å
26	I	82.6	Confident	78.7	Confident	115 Å²	115	88.5 Å²	88.5	59%	0.59	52%	0.523	S	S	*	.	H	α-helix	trans	-63.1	-42.7	178	-67	166.3	0	0	0	111.1	A22 C23 I29 A30	A22-I26 VanDerWaalsContact O-CG1 3.31Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 2.98Å; A22-I26 VanDerWaalsContact O-N 3.08Å; C23-I26 PolarHBondContact O-N 3.24Å; I26-I29 PolarHBondContact O-N 2.97Å; I26-A30 WeakPolarHBondContact O-CB 2.98Å; I26-A30 PolarHBondContact O-N 3.38Å
27	V	82.2	Confident	76.9	Confident	87 Å²	87	90.8 Å²	90.8	53%	0.527	53%	0.528	S	S	.	.	H	α-helix	trans	-65.1	-39.8	176.8	173.9	0	0	0	0	111.3	C23 T24 A25 A30 L31	C23-V27 VanDerWaalsContact O-CG2 3.31Å; C23-V27 WeakPolarHBondContact O-CG2 3.48Å; C23-V27 PolarHBondContact O-N 3.17Å; C23-V27 VanDerWaalsContact O-N 3.08Å; T24-V27 PolarHBondContact O-N 3.42Å; A25-V27 PolarHBondContact O-N 3.38Å; V27-A30 PolarHBondContact O-N 3.44Å; V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 WeakPolarHBondContact O-CG 3.43Å; V27-L31 PolarHBondContact O-N 3.45Å
28	G	78.3	Confident	74.7	Confident	32 Å²	32	93.6 Å²	93.6	33%	0.33	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.4	0	0	0	0	0	113	T24 A25 L31 L32	T24-G28 PolarHBondContact O-N 3.4Å; A25-G28 PolarHBondContact O-N 2.99Å; G28-L31 PolarHBondContact O-N 3.28Å; G28-L32 PolarHBondContact O-N 3.45Å
29	I	82.7	Confident	72.6	Confident	109 Å²	109	95.7 Å²	95.7	56%	0.559	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-43.9	176.6	-65.8	166.1	0	0	0	110.8	A25 I26 L31 L32 V33	A25-I29 WeakPolarHBondContact O-CG1 3.25Å; A25-I29 PolarHBondContact O-N 3.34Å; I26-I29 PolarHBondContact O-N 2.97Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 3.18Å; I29-L32 PolarHBondContact O-N 3.17Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 2.99Å
30	A	75.7	Confident	70.4	Confident	59 Å²	59	96.1 Å²	96.1	49%	0.488	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-39.5	178.4	0	0	0	0	0	112.3	I26 V27 H34	I26-A30 WeakPolarHBondContact O-CB 2.98Å; I26-A30 PolarHBondContact O-N 3.38Å; V27-A30 PolarHBondContact O-N 3.44Å; A30-H34 WeakPolarHBondContact O-CB 3.44Å; A30-H34 PolarHBondContact O-N 2.83Å
31	L	75.8	Confident	67.8	Low	95 Å²	95	102.4 Å²	102.4	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-43.6	175.1	-74	169.4	0	0	0	111.8	V27 G28 I29 V33 H34 F35	V27-L31 HydrophobicContact CG1-CD1 4.06Å; V27-L31 WeakPolarHBondContact O-CG 3.43Å; V27-L31 PolarHBondContact O-N 3.45Å; G28-L31 PolarHBondContact O-N 3.28Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 3.18Å; L31-V33 PolarHBondContact O-N 3.46Å; L31-H34 PolarHBondContact O-N 3Å; L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 3.25Å
32	L	75.7	Confident	65.3	Low	127 Å²	127	106.8 Å²	106.8	67%	0.665	58%	0.583	S	S	*	*	H	α-helix	trans	-59	-45.3	175.7	-89.1	160.9	0	0	0	112.2	G28 I29 H34 F35 S36	G28-L32 PolarHBondContact O-N 3.45Å; I29-L32 PolarHBondContact O-N 3.17Å; L32-H34 VanDerWaalsContact C-N 3.35Å; L32-H34 PolarHBondContact O-N 3.09Å; L32-F35 PolarHBondContact O-N 3.02Å; L32-S36 WeakPolarHBondContact O-CB 3.17Å; L32-S36 PolarHBondContact O-N 3.1Å
33	V	75	Confident	62.9	Low	91 Å²	91	113.7 Å²	113.7	55%	0.552	61%	0.607	S	S	*	*	H	α-helix	trans	-63.3	-41.7	176.1	173.8	0	0	0	0	111	I29 L31 S36 K37	I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 2.99Å; L31-V33 PolarHBondContact O-N 3.46Å; V33-S36 PolarHBondContact O-N 3.32Å; V33-K37 WeakPolarHBondContact O-CB 3.24Å; V33-K37 PolarHBondContact O-N 3.17Å
34	H	69.7	Low	60	Low	126 Å²	126	113.5 Å²	113.5	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-40.6	178.3	-167.3	-41.8	0	0	0	112.2	A30 L31 L32 R38	A30-H34 WeakPolarHBondContact O-CB 3.44Å; A30-H34 PolarHBondContact O-N 2.83Å; L31-H34 PolarHBondContact O-N 3Å; L32-H34 VanDerWaalsContact C-N 3.35Å; L32-H34 PolarHBondContact O-N 3.09Å; H34-R38 PolarHBondContact O-N 2.79Å
35	F	60.8	Low	57.2	Low	129 Å²	129	114.2 Å²	114.2	57%	0.566	63%	0.626	S	S	*	*	H	α-helix	trans	-71.6	-39.6	177.6	-81.8	-71.6	0	0	0	112.2	L31 L32 K37 R38 N39	L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 3.25Å; L32-F35 PolarHBondContact O-N 3.02Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.12Å; F35-R38 PolarHBondContact O-N 3.19Å; F35-N39 PolarHBondContact O-N 2.95Å
36	S	60.2	Low	54.5	Low	81 Å²	81	116.7 Å²	116.7	57%	0.566	64%	0.64	S	S	*	*	H	α-helix	trans	-61.8	-37.9	176.6	-162.1	0	0	0	0	112	L32 V33 R38 S40	L32-S36 WeakPolarHBondContact O-CB 3.17Å; L32-S36 PolarHBondContact O-N 3.1Å; V33-S36 PolarHBondContact O-N 3.32Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 2.88Å; S36-S40 PolarHBondContact O-OG 2.91Å
37	K	48.9	Very low	51.8	Low	159 Å²	159	118.4 Å²	118.4	69%	0.691	65%	0.65	S	S	*	*	H	α-helix	trans	-71.7	-24.2	179.4	-151.6	175.2	-171.7	178.7	0	113.3	V33 F35	V33-K37 WeakPolarHBondContact O-CB 3.24Å; V33-K37 PolarHBondContact O-N 3.17Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.12Å
38	R	38.3	Very low	48.8	Very low	179 Å²	179	122.5 Å²	122.5	68%	0.675	67%	0.668	S	S	*	*	H	α-helix	trans	-77.3	-36.4	178.2	-158.6	175.7	-176	173.6	0.2	111.8	H34 F35 S36 S40 H41	H34-R38 PolarHBondContact O-N 2.79Å; F35-R38 PolarHBondContact O-N 3.19Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 2.88Å; R38-S40 VanDerWaalsContact C-N 3.29Å; R38-S40 PolarHBondContact O-N 3.03Å; R38-H41 PolarHBondContact O-N 3.46Å
39	N	41.8	Very low	46.1	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	68%	0.684	S	S	*	*	H	α-helix	trans	-70.6	-24	178.2	-76.2	3.8	0	0	0	113.2	F35 H41	F35-N39 PolarHBondContact O-N 2.95Å; N39-H41 PolarHBondContact O-N 3.45Å
40	S	39.3	Very low	43.3	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-9.7	179.2	-48.7	0	0	0	0	114.6	S36 R38	S36-S40 PolarHBondContact O-OG 2.91Å; R38-S40 VanDerWaalsContact C-N 3.29Å; R38-S40 PolarHBondContact O-N 3.03Å
41	H	29.3	Very low	40.7	Very low	167 Å²	167	130.3 Å²	130.3	77%	0.773	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-7.2	-174.6	-103.5	-65.2	0	0	0	115.4	R38 N39	R38-H41 PolarHBondContact O-N 3.46Å; N39-H41 PolarHBondContact O-N 3.45Å
42	E	30.1	Very low	38.2	Very low	183 Å²	183	132 Å²	132	86%	0.855	73%	0.727	S	S	*	*	S	Bend	trans	-110.8	3.6	-172.8	-86.6	-174.8	166.4	0	0	116.5
43	Q	29.4	Very low	35.6	Very low	194 Å²	194	131.3 Å²	131.3	91%	0.907	73%	0.733	S	S	*	*			trans	-127.9	69	174.9	-72.6	-177.2	-9.7	0	0	112.1
44	G	21.6	Very low	33.1	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	74%	0.742	S	S	*	*			trans	-129.8	103	161.2	0	0	0	0	0	109.1
45	S	23	Very low	30.8	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	76%	0.758	S	S	*	*			trans	171.1	128.4	144.3	38.7	0	0	0	0	113
46	S	24.3	Very low	29	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	77%	0.767	S	S	*	*			trans	73.7	135.8	154.1	81.9	0	0	0	0	116.2
47	L	24.7	Very low	27.2	Very low	151 Å²	151	142.5 Å²	142.5	79%	0.791	78%	0.782	S	S	*	*			cis	-155.8	128.5	30	-121.6	113.2	0	0	0	108.9
48	L	20.4	Very low	25.9	Very low	172 Å²	172	142.8 Å²	142.8	90%	0.901	79%	0.791	S	S	*	*			trans	-118.3	123.7	165.6	-80.5	168	0	0	0	107.7
49	T	21.4	Very low	25.4	Very low	110 Å²	110	143.2 Å²	143.2	68%	0.675	80%	0.801	S	S	*	*			trans	166.3	135.4	159.9	42.7	0	0	0	0	106.8
50	H	24.7	Very low	24.6	Very low	180 Å²	180	143.2 Å²	143.2	83%	0.833	81%	0.806	S	S	*	*			cis	-151.6	138.7	23	-85.5	-72.2	0	0	0	109.6
51	G	19.7	Very low	24	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.4	150.5	163.6	0	0	0	0	0	111.7
52	P	24.8	Very low	23.9	Very low	132 Å²	132	146.1 Å²	146.1	86%	0.857	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-94.5	130.6	167.3	29.8	-19.7	0	0	0	111.5
53	S	19.7	Very low	23.9	Very low	112 Å²	112	141 Å²	141	78%	0.783	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.5	136	164.8	169.6	0	0	0	0	110.3
54	S	24.1	Very low	23.8	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	81%	0.813	S	S	*	*				156.8	135.1	113.5	58.9	0	0	0	0	114.5
55	R	21	Very low	24.5	Very low	239 Å²	239	141.6 Å²	141.6	90%	0.902	80%	0.799	S	S	*	*			trans	78.4	94.7	140.5	-127.2	173.6	-172.2	170.4	0.4	121.3
56	V	22.6	Very low	25.1	Very low	127 Å²	127	139.9 Å²	139.9	77%	0.77	79%	0.786	S	S	*	*				9.8	121.6	129.8	-174.5	0	0	0	0	117.8
57	E	22	Very low	26	Very low	189 Å²	189	138.8 Å²	138.8	88%	0.883	77%	0.77	S	S	*	*			trans	-156.7	132.3	132.7	-113.4	172.5	-159.6	0	0	111.1	Q59	E57-Q59 PolarHBondContact O-N 3.04Å
58	N	22.5	Very low	26.5	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	76%	0.763	S	S	*	*			trans	-60.2	116.9	-179.8	-78.1	-27.1	0	0	0	111.5
59	Q	27.3	Very low	27.4	Very low	189 Å²	189	138 Å²	138	88%	0.883	76%	0.762	S	S	*	*			trans	-119.9	122.8	157.3	-75.1	-168.9	-1.1	0	0	110.3	E57	E57-Q59 PolarHBondContact O-N 3.04Å
60	T	24.2	Very low	28.1	Very low	135 Å²	135	137.9 Å²	137.9	83%	0.828	77%	0.765	S	S	*	*			trans	-60.8	143.4	177.9	36.8	0	0	0	0	113	T62	T60-T62 PolarHBondContact O-N 2.92Å
61	E	27.7	Very low	28.9	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	74%	0.739	S	S	*	*	S	Bend	trans	-29.4	98.1	171.1	-65.9	170.8	140.7	0	0	116.5
62	T	27.7	Very low	29.5	Very low	130 Å²	130	134 Å²	134	80%	0.798	74%	0.744	S	S	*	*			trans	-162.6	79.2	141.7	45.9	0	0	0	0	109.5	T60 K64	T60-T62 PolarHBondContact O-N 2.92Å; T62-K64 PolarHBondContact O-N 2.7Å
63	G	29.6	Very low	30	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	73%	0.725	S	S	*	*			trans	-78.8	57.3	174.4	0	0	0	0	0	113.1
64	K	27.1	Very low	30.6	Very low	200 Å²	200	132.5 Å²	132.5	87%	0.87	73%	0.725	S	S	*	*			trans	-82.1	125.5	166.7	-85.8	-174.1	175.8	-178.7	0	109.1	T62 C66	T62-K64 PolarHBondContact O-N 2.7Å; K64-C66 PolarHBondContact O-N 3.38Å
65	L	35.2	Very low	30.9	Very low	74 Å²	74	134.7 Å²	134.7	39%	0.387	73%	0.728	S	S	.	*			trans	-59	128.7	174.8	-128.3	88.3	0	0	0	110.2	I67 M637	L65-I67 HydrophobicContact CB-CD1 4.04Å; L65-I67 HydrophobicContact CB-CG1 3.99Å; L65-I67 HydrophobicContact CD2-CD1 3.94Å; L65-I67 HydrophobicContact CD2-CG1 3.78Å; L65-I67 HydrophobicContact CG-CG1 4.35Å; L65-M637 HydrophobicContact CD2-CE 4.29Å; L65-M637 HydrophobicContact CD2-SD 4.23Å
66	C	37	Very low	31.9	Very low	76 Å²	76	125.6 Å²	125.6	51%	0.514	70%	0.701	S	S	.	*			trans	-82.9	114.6	165.3	169.3	0	0	0	0	108.5	K64 C71	K64-C66 PolarHBondContact O-N 3.38Å; C66-C71 WeakPolarHBondContact CB-SG 3.27Å; C66-C71 WeakPolarHBondContact SG-CB 3.38Å; C66-C71 CovalentContact SG-SG 2.05Å; C66-C71 PolarHBondContact SG-SG 2.89Å
67	I	42	Very low	33.4	Very low	84 Å²	84	126.2 Å²	126.2	43%	0.431	70%	0.7	S	S	.	*			trans	-119.9	-4.4	-177.4	-52	160.7	0	0	0	111.2	L65 M637	L65-I67 HydrophobicContact CB-CD1 4.04Å; L65-I67 HydrophobicContact CB-CG1 3.99Å; L65-I67 HydrophobicContact CD2-CD1 3.94Å; L65-I67 HydrophobicContact CD2-CG1 3.78Å; L65-I67 HydrophobicContact CG-CG1 4.35Å; I67-M637 HydrophobicContact CD1-CE 3.53Å; I67-M637 HydrophobicContact CD1-CG 4.04Å; I67-M637 HydrophobicContact CD1-SD 3.28Å; I67-M637 WeakPolarHBondContact CD1-SD 3.34Å; I67-M637 HydrophobicContact CG1-SD 4.22Å
68	D	35.4	Very low	35.1	Very low	117 Å²	117	122.7 Å²	122.7	63%	0.626	69%	0.687	S	S	*	*	S	Bend	trans	-78.5	155.6	-179.7	-66.3	-13.3	0	0	0	111.8	S70 C71	D68-S70 PolarHBondContact O-N 3.37Å; D68-C71 WeakPolarHBondContact O-CB 3.47Å; D68-C71 PolarHBondContact O-N 3.11Å
69	E	40.3	Very low	36.9	Very low	191 Å²	191	116.8 Å²	116.8	89%	0.893	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-14.2	179.4	-66.6	-177.6	161.5	0	0	114	C71	E69-C71 VanDerWaalsContact C-N 3.34Å
70	S	35.1	Very low	38.7	Very low	106 Å²	106	111.6 Å²	111.6	74%	0.741	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-11	175.2	53.8	0	0	0	0	114.5	D68	D68-S70 PolarHBondContact O-N 3.37Å
71	C	42.9	Very low	41.3	Very low	42 Å²	42	109.7 Å²	109.7	28%	0.284	62%	0.621	S	S	.	*	S	Bend	trans	-66.2	148	164.8	-107.1	0	0	0	0	108.9	C66 D68 E69 S73	C66-C71 WeakPolarHBondContact CB-SG 3.27Å; C66-C71 WeakPolarHBondContact SG-CB 3.38Å; C66-C71 CovalentContact SG-SG 2.05Å; C66-C71 PolarHBondContact SG-SG 2.89Å; D68-C71 WeakPolarHBondContact O-CB 3.47Å; D68-C71 PolarHBondContact O-N 3.11Å; E69-C71 VanDerWaalsContact C-N 3.34Å; C71-S73 VanDerWaalsContact C-N 3.27Å; C71-S73 PolarHBondContact O-N 2.69Å
72	P	31.6	Very low	44	Very low	132 Å²	132	104.2 Å²	104.2	86%	0.857	60%	0.597	S	S	*	*			trans	-62.7	92.9	-178.9	9	-6.6	0	0	0	110	N74	P72-N74 PolarHBondContact O-N 3.03Å
73	S	35.2	Very low	47	Very low	66 Å²	66	98.6 Å²	98.6	46%	0.462	56%	0.562	S	S	.	*			trans	-70.3	107.4	169.2	57	0	0	0	0	105.8	C71 N75	C71-S73 VanDerWaalsContact C-N 3.27Å; C71-S73 PolarHBondContact O-N 2.69Å; S73-N75 PolarHBondContact O-N 3.3Å
74	N	31.7	Very low	50	Low	146 Å²	146	95.4 Å²	95.4	78%	0.781	53%	0.527	S	S	*	.			trans	-64.8	77.8	146.1	-89.8	-8.5	0	0	0	106.5	P72 S76	P72-N74 PolarHBondContact O-N 3.03Å; N74-S76 PolarHBondContact O-N 3Å; N74-S76 PolarHBondContact O-OG 2.73Å
75	N	30.4	Very low	53	Low	152 Å²	152	88.8 Å²	88.8	81%	0.813	50%	0.502	S	S	*	.			trans	-58.9	89.7	167.1	-97.6	-11.8	0	0	0	106.8	S73	S73-N75 PolarHBondContact O-N 3.3Å
76	S	42.9	Very low	55.6	Low	48 Å²	48	88 Å²	88	34%	0.336	50%	0.498	S	S	.	.			trans	-148	130.1	178.5	56.2	0	0	0	0	108.4	N74 N78 S79	N74-S76 PolarHBondContact O-N 3Å; N74-S76 PolarHBondContact O-OG 2.73Å; S76-N78 PolarHBondContact O-N 3.33Å; S76-S79 PolarHBondContact O-N 3.15Å; S76-S79 PolarHBondContact O-OG 3.13Å
77	D	53.6	Low	58.1	Low	140 Å²	140	84.4 Å²	84.4	75%	0.749	47%	0.474	S	S	*	.	H	α-helix	trans	-46.7	-26.6	172.7	-81	-40.3	0	0	0	112.7	S79 I80 N81	D77-S79 VanDerWaalsContact C-N 3.27Å; D77-S79 PolarHBondContact O-N 3.46Å; D77-I80 PolarHBondContact O-N 2.9Å; D77-N81 PolarHBondContact O-N 2.84Å
78	N	58	Low	60.2	Low	115 Å²	115	82.7 Å²	82.7	62%	0.615	46%	0.464	S	S	*	.	H	α-helix	trans	-56.4	-37.2	174.5	-69.5	-9.5	0	0	0	113.1	S76 N81 I82	S76-N78 PolarHBondContact O-N 3.33Å; N78-N81 PolarHBondContact O-N 3.36Å; N78-I82 WeakPolarHBondContact O-CD1 3.21Å; N78-I82 WeakPolarHBondContact O-CG1 3.49Å; N78-I82 PolarHBondContact O-N 3.36Å
79	S	59.6	Low	62.5	Low	41 Å²	41	82.7 Å²	82.7	29%	0.287	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-40.7	-178.6	64	0	0	0	0	112.7	S76 D77 I82 I83	S76-S79 PolarHBondContact O-N 3.15Å; S76-S79 PolarHBondContact O-OG 3.13Å; D77-S79 VanDerWaalsContact C-N 3.27Å; D77-S79 PolarHBondContact O-N 3.46Å; S79-I82 PolarHBondContact O-N 3.43Å; S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.18Å; S79-I83 VanDerWaalsContact O-N 3.14Å
80	I	66	Low	64.6	Low	79 Å²	79	76.6 Å²	76.6	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-41.5	176.2	-63.6	174.1	0	0	0	109.8	D77 I83 C84	D77-I80 PolarHBondContact O-N 2.9Å; I80-I83 PolarHBondContact O-N 3.07Å; I80-C84 PolarHBondContact O-N 3.23Å
81	N	79.1	Confident	66.9	Low	95 Å²	95	71.9 Å²	71.9	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-44.6	178.9	-153.6	30.2	0	0	0	111.5	D77 N78 I83 C84 D85	D77-N81 PolarHBondContact O-N 2.84Å; N78-N81 PolarHBondContact O-N 3.36Å; N81-I83 VanDerWaalsContact C-N 3.32Å; N81-I83 PolarHBondContact O-N 2.88Å; N81-C84 PolarHBondContact O-N 2.92Å; N81-C84 VanDerWaalsContact O-N 3.13Å; N81-D85 WeakPolarHBondContact O-CB 3.2Å; N81-D85 VanDerWaalsContact O-CG 3.23Å; N81-D85 PolarHBondContact O-N 3.33Å
82	I	84.7	Confident	68.7	Low	79 Å²	79	71.3 Å²	71.3	41%	0.405	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-40.7	176.9	-65.7	163.1	0	0	0	111.5	N78 S79 C84 D85 N86	N78-I82 WeakPolarHBondContact O-CD1 3.21Å; N78-I82 WeakPolarHBondContact O-CG1 3.49Å; N78-I82 PolarHBondContact O-N 3.36Å; S79-I82 PolarHBondContact O-N 3.43Å; I82-C84 VanDerWaalsContact C-N 3.3Å; I82-C84 PolarHBondContact O-N 3.21Å; I82-D85 PolarHBondContact O-N 2.71Å; I82-N86 CarbonylContact O-C 3.44Å; I82-N86 VanDerWaalsContact O-C 3.24Å; I82-N86 PolarHBondContact O-N 3.17Å; I82-N86 VanDerWaalsContact O-O 3.13Å
83	I	90.1	Very high	70.6	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.062	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-40.1	177.2	-76	167.2	0	0	0	111.8	S79 I80 N81 F87 Y90 F680 Y684	S79-I83 WeakPolarHBondContact O-CG1 3.45Å; S79-I83 PolarHBondContact O-N 3.18Å; S79-I83 VanDerWaalsContact O-N 3.14Å; I80-I83 PolarHBondContact O-N 3.07Å; N81-I83 VanDerWaalsContact C-N 3.32Å; N81-I83 PolarHBondContact O-N 2.88Å; I83-F87 HydrophobicContact CB-CD2 4.34Å; I83-F87 HydrophobicContact CG1-CD2 4.26Å; I83-F87 HydrophobicContact CG2-CD2 3.83Å; I83-F87 HydrophobicContact CG2-CE2 4.29Å; I83-F87 WeakPolarHBondContact O-CB 3.2Å; I83-F87 PolarHBondContact O-N 3.34Å; I83-Y90 HydrophobicContact CD1-CD1 4.32Å; I83-Y90 HydrophobicContact CD1-CD2 4.21Å; I83-Y90 HydrophobicContact CD1-CE1 4.01Å; I83-Y90 HydrophobicContact CD1-CE2 3.85Å; I83-Y90 HydrophobicContact CD1-CG 4.41Å; I83-Y90 HydrophobicContact CG1-CD1 3.79Å; I83-Y90 HydrophobicContact CG1-CD2 3.68Å; I83-Y90 HydrophobicContact CG1-CE1 4.01Å; I83-Y90 HydrophobicContact CG1-CE2 3.87Å; I83-Y90 HydrophobicContact CG1-CG 3.62Å; I83-F680 HydrophobicContact CG2-CZ 4.31Å; I83-Y684 HydrophobicContact CD1-CD1 3.97Å; I83-Y684 HydrophobicContact CD1-CE1 4.22Å; I83-Y684 HydrophobicContact CG2-CD1 3.62Å; I83-Y684 HydrophobicContact CG2-CE1 4.4Å; I83-Y684 HydrophobicContact CG2-CG 3.75Å
84	C	92.8	Very high	72.1	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.054	37%	0.373	C	S	.	.	H	α-helix	trans	-88.2	-14	-176.8	-61.1	0	0	0	0	114.1	I80 N81 I82 C686 M692	I80-C84 PolarHBondContact O-N 3.23Å; N81-C84 PolarHBondContact O-N 2.92Å; N81-C84 VanDerWaalsContact O-N 3.13Å; I82-C84 VanDerWaalsContact C-N 3.3Å; I82-C84 PolarHBondContact O-N 3.21Å; C84-C686 WeakPolarHBondContact CA-SG 2.88Å; C84-C686 HydrophobicContact CB-CB 3.74Å; C84-C686 WeakPolarHBondContact CB-SG 3.28Å; C84-C686 WeakPolarHBondContact SG-CA 2.94Å; C84-C686 WeakPolarHBondContact SG-CB 3.38Å; C84-C686 CovalentContact SG-SG 2.05Å; C84-C686 PolarHBondContact SG-SG 2.91Å; C84-M692 VanDerWaalsContact O-CB 3.25Å; C84-M692 WeakPolarHBondContact O-CB 3.05Å; C84-M692 WeakPolarHBondContact O-CG 3.35Å; C84-M692 PolarHBondContact O-N 2.85Å
85	D	90	Very high	73.5	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-92.3	-41.7	173	-69.3	-21.8	0	0	0	111.9	N81 I82	N81-D85 WeakPolarHBondContact O-CB 3.2Å; N81-D85 VanDerWaalsContact O-CG 3.23Å; N81-D85 PolarHBondContact O-N 3.33Å; I82-D85 PolarHBondContact O-N 2.71Å
86	N	88.8	Confident	74.7	Confident	58 Å²	58	61.4 Å²	61.4	31%	0.31	33%	0.326	S	S	.	.			trans	-158.4	87.5	-177.9	-169.4	-25.6	0	0	0	111.2	I82 E88 K89 Y90 N671	I82-N86 CarbonylContact O-C 3.44Å; I82-N86 VanDerWaalsContact O-C 3.24Å; I82-N86 PolarHBondContact O-N 3.17Å; I82-N86 VanDerWaalsContact O-O 3.13Å; N86-E88 VanDerWaalsContact C-N 3.32Å; N86-E88 PolarHBondContact O-N 3.23Å; N86-E88 WeakPolarHBondContact OD1-CB 3.4Å; N86-E88 PolarHBondContact OD1-N 3.02Å; N86-K89 HydrophobicContact CB-CB 4.08Å; N86-K89 VanDerWaalsContact CG-CB 3.47Å; N86-K89 PolarHBondContact O-N 3.35Å; N86-K89 WeakPolarHBondContact OD1-CB 3.25Å; N86-K89 PolarHBondContact OD1-N 2.72Å; N86-Y90 PolarHBondContact O-N 3.02Å; N86-N671 PolarHBondContact OD1-ND2 3.33Å
87	F	90.8	Very high	75.1	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-32.5	-179.4	-172.7	-111.2	0	0	0	113.4	I83 Y90 S91 A643 V670 N671 L674 F680 Y684 M692	I83-F87 HydrophobicContact CB-CD2 4.34Å; I83-F87 HydrophobicContact CG1-CD2 4.26Å; I83-F87 HydrophobicContact CG2-CD2 3.83Å; I83-F87 HydrophobicContact CG2-CE2 4.29Å; I83-F87 WeakPolarHBondContact O-CB 3.2Å; I83-F87 PolarHBondContact O-N 3.34Å; F87-Y90 HydrophobicContact CD2-CD1 4.06Å; F87-Y90 AromaticContact CE2-CD1 3.84Å; F87-Y90 HydrophobicContact CE2-CD1 3.84Å; F87-Y90 HydrophobicContact CE2-CE1 4.25Å; F87-Y90 WeakPolarHBondContact O-CB 3.31Å; F87-Y90 PolarHBondContact O-N 3.06Å; F87-S91 WeakPolarHBondContact CD1-OG 3.43Å; F87-S91 WeakPolarHBondContact CE1-OG 3.46Å; F87-S91 VanDerWaalsContact CZ-OG 3.29Å; F87-S91 WeakPolarHBondContact CZ-OG 3.2Å; F87-S91 WeakPolarHBondContact O-CB 3.44Å; F87-S91 PolarHBondContact O-N 3.39Å; F87-S91 PolarHBondContact O-OG 3.22Å; F87-A643 HydrophobicContact CD1-CB 4.16Å; F87-A643 HydrophobicContact CE1-CB 3.66Å; F87-V670 HydrophobicContact CD1-CG1 3.81Å; F87-N671 PolarHBondContact N-OD1 3.38Å; F87-L674 HydrophobicContact CD1-CD1 3.27Å; F87-L674 HydrophobicContact CE1-CD1 3.61Å; F87-L674 HydrophobicContact CG-CD1 4.25Å; F87-F680 HydrophobicContact CB-CE2 4.35Å; F87-F680 HydrophobicContact CB-CZ 3.82Å; F87-F680 AromaticContact CD1-CE2 3.78Å; F87-F680 HydrophobicContact CD1-CE2 3.78Å; F87-F680 HydrophobicContact CD1-CZ 4.14Å; F87-F680 AromaticContact CD2-CE2 3.75Å; F87-F680 HydrophobicContact CD2-CE2 3.75Å; F87-F680 AromaticContact CD2-CZ 3.69Å; F87-F680 HydrophobicContact CD2-CZ 3.69Å; F87-F680 AromaticContact CE1-CE2 3.86Å; F87-F680 HydrophobicContact CE1-CE2 3.86Å; F87-F680 AromaticContact CE2-CE2 3.84Å; F87-F680 HydrophobicContact CE2-CE2 3.84Å; F87-F680 HydrophobicContact CE2-CZ 4.22Å; F87-F680 AromaticContact CG-CE2 3.68Å; F87-F680 HydrophobicContact CG-CE2 3.68Å; F87-F680 AromaticContact CG-CZ 3.6Å; F87-F680 HydrophobicContact CG-CZ 3.6Å; F87-F680 AromaticContact CZ-CE2 3.89Å; F87-F680 HydrophobicContact CZ-CE2 3.89Å; F87-Y684 HydrophobicContact CE2-CD1 4.49Å; F87-Y684 AromaticContact CE2-CE1 3.91Å; F87-Y684 HydrophobicContact CE2-CE1 3.91Å; F87-Y684 HydrophobicContact CE2-CE2 4.03Å; F87-Y684 AromaticContact CE2-CZ 3.65Å; F87-Y684 HydrophobicContact CZ-CE1 4.49Å; F87-Y684 HydrophobicContact CZ-CE2 4.05Å; F87-Y684 AromaticContact CZ-CZ 3.79Å; F87-M692 HydrophobicContact CB-CE 3.68Å; F87-M692 HydrophobicContact CB-SD 4.42Å
88	E	85.4	Confident	75	Confident	47 Å²	47	64.1 Å²	64.1	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-53	173.6	-174	-175.8	159.6	0	0	111.1	N86 Y90 S91 C92 I669 V670 N671	N86-E88 VanDerWaalsContact C-N 3.32Å; N86-E88 PolarHBondContact O-N 3.23Å; N86-E88 WeakPolarHBondContact OD1-CB 3.4Å; N86-E88 PolarHBondContact OD1-N 3.02Å; E88-Y90 VanDerWaalsContact C-N 3.29Å; E88-Y90 PolarHBondContact O-N 3.26Å; E88-S91 PolarHBondContact O-N 3.45Å; E88-C92 WeakPolarHBondContact CG-SG 3.32Å; E88-C92 WeakPolarHBondContact O-CB 3.33Å; E88-C92 PolarHBondContact O-N 3.44Å; E88-C92 PolarHBondContact O-SG 3.08Å; E88-I669 WeakPolarHBondContact OE1-CG2 3.34Å; E88-I669 WeakPolarHBondContact OE2-CB 3.43Å; E88-I669 WeakPolarHBondContact OE2-CG2 3.45Å; E88-V670 HydrophobicContact CB-CB 3.88Å; E88-V670 HydrophobicContact CB-CG1 4.28Å; E88-V670 HydrophobicContact CG-CB 3.96Å; E88-V670 HydrophobicContact CG-CG2 4.23Å; E88-N671 WeakPolarHBondContact CB-ND2 3.36Å; E88-N671 WeakPolarHBondContact CB-OD1 3.48Å; E88-N671 PolarHBondContact N-OD1 3.18Å
89	K	83.8	Confident	74.6	Confident	118 Å²	118	64.9 Å²	64.9	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-55.3	-47.1	175.8	-176.3	175.4	-178.1	174.8	0	110.9	N86 S91 D93	N86-K89 HydrophobicContact CB-CB 4.08Å; N86-K89 VanDerWaalsContact CG-CB 3.47Å; N86-K89 PolarHBondContact O-N 3.35Å; N86-K89 WeakPolarHBondContact OD1-CB 3.25Å; N86-K89 PolarHBondContact OD1-N 2.72Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 3.05Å; K89-D93 WeakPolarHBondContact CG-OD2 3.25Å; K89-D93 WeakPolarHBondContact O-CB 3.45Å; K89-D93 PolarHBondContact O-N 3.4Å
90	Y	84.2	Confident	74	Confident	62 Å²	62	68.7 Å²	68.7	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-40.9	176.2	175.2	-94.8	0	0	0	113.4	I83 N86 F87 E88 K94	I83-Y90 HydrophobicContact CD1-CD1 4.32Å; I83-Y90 HydrophobicContact CD1-CD2 4.21Å; I83-Y90 HydrophobicContact CD1-CE1 4.01Å; I83-Y90 HydrophobicContact CD1-CE2 3.85Å; I83-Y90 HydrophobicContact CD1-CG 4.41Å; I83-Y90 HydrophobicContact CG1-CD1 3.79Å; I83-Y90 HydrophobicContact CG1-CD2 3.68Å; I83-Y90 HydrophobicContact CG1-CE1 4.01Å; I83-Y90 HydrophobicContact CG1-CE2 3.87Å; I83-Y90 HydrophobicContact CG1-CG 3.62Å; N86-Y90 PolarHBondContact O-N 3.02Å; F87-Y90 HydrophobicContact CD2-CD1 4.06Å; F87-Y90 AromaticContact CE2-CD1 3.84Å; F87-Y90 HydrophobicContact CE2-CD1 3.84Å; F87-Y90 HydrophobicContact CE2-CE1 4.25Å; F87-Y90 WeakPolarHBondContact O-CB 3.31Å; F87-Y90 PolarHBondContact O-N 3.06Å; E88-Y90 VanDerWaalsContact C-N 3.29Å; E88-Y90 PolarHBondContact O-N 3.26Å; Y90-K94 HydrophobicContact CE1-CD 4.48Å; Y90-K94 VanDerWaalsContact CZ-NZ 3.31Å; Y90-K94 WeakPolarHBondContact O-CG 3.46Å; Y90-K94 PolarHBondContact OH-NZ 3.34Å
91	S	83.6	Confident	73.2	Confident	8 Å²	8	66.4 Å²	66.4	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-86.8	-44.4	-172.4	-59.1	0	0	0	0	113	F87 E88 K89 L95	F87-S91 WeakPolarHBondContact CD1-OG 3.43Å; F87-S91 WeakPolarHBondContact CE1-OG 3.46Å; F87-S91 VanDerWaalsContact CZ-OG 3.29Å; F87-S91 WeakPolarHBondContact CZ-OG 3.2Å; F87-S91 WeakPolarHBondContact O-CB 3.44Å; F87-S91 PolarHBondContact O-N 3.39Å; F87-S91 PolarHBondContact O-OG 3.22Å; E88-S91 PolarHBondContact O-N 3.45Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 3.05Å; S91-L95 PolarHBondContact O-N 2.71Å
92	C	79.8	Confident	71.6	Confident	29 Å²	29	66 Å²	66	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-75.7	-36.1	-178.5	-52.7	0	0	0	0	111.7	E88 K94 L95 S96 C647	E88-C92 WeakPolarHBondContact CG-SG 3.32Å; E88-C92 WeakPolarHBondContact O-CB 3.33Å; E88-C92 PolarHBondContact O-N 3.44Å; E88-C92 PolarHBondContact O-SG 3.08Å; C92-K94 VanDerWaalsContact C-N 3.27Å; C92-K94 PolarHBondContact O-N 2.93Å; C92-L95 WeakPolarHBondContact O-CB 3.33Å; C92-L95 PolarHBondContact O-N 2.96Å; C92-S96 PolarHBondContact O-N 2.96Å; C92-C647 WeakPolarHBondContact CA-SG 3.13Å; C92-C647 HydrophobicContact CB-CB 3.77Å; C92-C647 WeakPolarHBondContact CB-SG 3.34Å; C92-C647 PolarHBondContact N-SG 2.84Å; C92-C647 WeakPolarHBondContact SG-CB 3.46Å; C92-C647 CovalentContact SG-SG 2.02Å; C92-C647 PolarHBondContact SG-SG 2.81Å
93	D	72.7	Confident	70	Confident	86 Å²	86	72.7 Å²	72.7	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-38.3	175.6	-69.8	-8.1	0	0	0	110.6	K89 L95 S96	K89-D93 WeakPolarHBondContact CG-OD2 3.25Å; K89-D93 WeakPolarHBondContact O-CB 3.45Å; K89-D93 PolarHBondContact O-N 3.4Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.36Å; D93-S96 PolarHBondContact O-N 3.33Å; D93-S96 PolarHBondContact O-OG 3.26Å
94	K	67.2	Low	68.7	Low	114 Å²	114	74.4 Å²	74.4	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-30.1	173.5	-77.5	-175.7	173.8	-168	0	113.2	Y90 C92	Y90-K94 HydrophobicContact CE1-CD 4.48Å; Y90-K94 VanDerWaalsContact CZ-NZ 3.31Å; Y90-K94 WeakPolarHBondContact O-CG 3.46Å; Y90-K94 PolarHBondContact OH-NZ 3.34Å; C92-K94 VanDerWaalsContact C-N 3.27Å; C92-K94 PolarHBondContact O-N 2.93Å
95	L	59.8	Low	67.8	Low	14 Å²	14	74.9 Å²	74.9	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-73.6	-33.7	176.7	-84.3	170.3	0	0	0	112.9	S91 C92 D93 Q97 N98 Y101 K644 C647	S91-L95 PolarHBondContact O-N 2.71Å; C92-L95 WeakPolarHBondContact O-CB 3.33Å; C92-L95 PolarHBondContact O-N 2.96Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.36Å; L95-Q97 PolarHBondContact O-N 2.93Å; L95-N98 PolarHBondContact O-N 3.1Å; L95-Y101 HydrophobicContact CD2-CD1 4.36Å; L95-Y101 HydrophobicContact CD2-CD2 3.57Å; L95-Y101 HydrophobicContact CD2-CE2 4.33Å; L95-Y101 HydrophobicContact CD2-CG 3.59Å; L95-K644 HydrophobicContact CD1-CB 3.9Å; L95-K644 HydrophobicContact CD1-CG 3.85Å; L95-K644 HydrophobicContact CD2-CB 4.35Å; L95-K644 HydrophobicContact CD2-CD 4.47Å; L95-K644 HydrophobicContact CD2-CG 3.96Å; L95-K644 HydrophobicContact CG-CG 4.07Å; L95-C647 HydrophobicContact CD1-CB 3.31Å
96	S	55.7	Low	67.4	Low	74 Å²	74	73.2 Å²	73.2	52%	0.517	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-21.9	176.2	73.7	0	0	0	0	113	C92 D93 N102	C92-S96 PolarHBondContact O-N 2.96Å; D93-S96 PolarHBondContact O-N 3.33Å; D93-S96 PolarHBondContact O-OG 3.26Å; S96-N102 PolarHBondContact O-ND2 3.39Å
97	Q	51.3	Low	67.2	Low	171 Å²	171	70.8 Å²	70.8	80%	0.799	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.9	177	-58.7	-177.5	-11.6	0	0	114.6	L95	L95-Q97 PolarHBondContact O-N 2.93Å
98	N	52.2	Low	67.2	Low	75 Å²	75	73 Å²	73	40%	0.401	36%	0.361	S	S	.	.			trans	-121.9	107.6	-169.3	-149.6	-11.2	0	0	0	112	L95 L100 Y101 N102	L95-N98 PolarHBondContact O-N 3.1Å; N98-L100 VanDerWaalsContact C-N 3.26Å; N98-L100 PolarHBondContact O-N 3.36Å; N98-L100 VanDerWaalsContact O-N 3.15Å; N98-Y101 PolarHBondContact O-N 3.46Å; N98-N102 PolarHBondContact O-N 2.92Å
99	D	48.9	Very low	67.3	Low	131 Å²	131	75.7 Å²	75.7	70%	0.701	38%	0.377	S	S	*	.	H	α-helix	trans	-59.2	-30.2	-171.4	-74.8	-28.5	0	0	0	114.8	Y101 N102 R103	D99-Y101 PolarHBondContact O-N 3.48Å; D99-N102 PolarHBondContact O-N 3.48Å; D99-R103 PolarHBondContact O-N 3.29Å
100	L	47.8	Very low	67.6	Low	120 Å²	120	71.1 Å²	71.1	63%	0.628	36%	0.358	S	S	*	.	H	α-helix	trans	-61.6	-31.2	-176.8	-154.4	91.4	0	0	0	112.7	N98	N98-L100 VanDerWaalsContact C-N 3.26Å; N98-L100 PolarHBondContact O-N 3.36Å; N98-L100 VanDerWaalsContact O-N 3.15Å
101	Y	48.2	Very low	68	Low	31 Å²	31	68.1 Å²	68.1	12%	0.122	35%	0.346	C	S	.	.	H	α-helix	trans	-101.9	-17.5	179.2	-69.4	-82	0	0	0	113.1	L95 N98 D99 R103 P532	L95-Y101 HydrophobicContact CD2-CD1 4.36Å; L95-Y101 HydrophobicContact CD2-CD2 3.57Å; L95-Y101 HydrophobicContact CD2-CE2 4.33Å; L95-Y101 HydrophobicContact CD2-CG 3.59Å; N98-Y101 PolarHBondContact O-N 3.46Å; D99-Y101 PolarHBondContact O-N 3.48Å; Y101-R103 PolarHBondContact O-N 2.83Å; Y101-P532 HydrophobicContact CD1-CB 4.42Å; Y101-P532 HydrophobicContact CE1-CB 4.09Å
102	N	45.7	Very low	68.5	Low	87 Å²	87	69.7 Å²	69.7	47%	0.465	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-25.2	170.7	-79	-20.3	0	0	0	111.9	S96 N98 D99 S104	S96-N102 PolarHBondContact O-ND2 3.39Å; N98-N102 PolarHBondContact O-N 2.92Å; D99-N102 PolarHBondContact O-N 3.48Å; N102-S104 VanDerWaalsContact C-N 3.33Å; N102-S104 PolarHBondContact O-N 2.96Å
103	R	51.5	Low	69.1	Low	219 Å²	219	74.3 Å²	74.3	83%	0.826	37%	0.372	S	S	*	.	S	Bend	trans	-74.2	89.2	163.8	-73.9	-170	-174.9	-169.3	2.5	109.2	D99 Y101 F105	D99-R103 PolarHBondContact O-N 3.29Å; Y101-R103 PolarHBondContact O-N 2.83Å; R103-F105 PolarHBondContact O-N 3.37Å; R103-F105 VanDerWaalsContact O-N 3.13Å
104	S	62.4	Low	70.1	Confident	49 Å²	49	70.3 Å²	70.3	34%	0.343	35%	0.35	S	S	.	.			trans	-48.1	122.4	165.2	-176.6	0	0	0	0	108.6	N102 N106	N102-S104 VanDerWaalsContact C-N 3.33Å; N102-S104 PolarHBondContact O-N 2.96Å; S104-N106 PolarHBondContact O-N 3.42Å
105	F	73.3	Confident	71.4	Confident	18 Å²	18	65 Å²	65	8%	0.079	33%	0.328	C	S	.	.			trans	-53.7	115.5	177.7	178.5	-87.1	0	0	0	108.8	R103 A107 I110 Y403 I511 P513 S531 P532 F533 L650 R660	R103-F105 PolarHBondContact O-N 3.37Å; R103-F105 VanDerWaalsContact O-N 3.13Å; F105-A107 HydrophobicContact CE1-CB 4.09Å; F105-I110 HydrophobicContact CD2-CD1 4.04Å; F105-I110 HydrophobicContact CE1-CD1 4.41Å; F105-I110 HydrophobicContact CE2-CD1 3.45Å; F105-I110 VanDerWaalsContact CE2-CD1 3.45Å; F105-I110 HydrophobicContact CZ-CD1 3.67Å; F105-Y403 HydrophobicContact CE2-CD1 4.2Å; F105-Y403 AromaticContact CE2-CE1 3.94Å; F105-Y403 HydrophobicContact CE2-CE1 3.94Å; F105-Y403 HydrophobicContact CZ-CD1 4.49Å; F105-I511 WeakPolarHBondContact CZ-O 3.49Å; F105-P513 HydrophobicContact CD1-CB 4.23Å; F105-P513 HydrophobicContact CD1-CG 3.84Å; F105-P513 HydrophobicContact CE1-CB 3.99Å; F105-P513 HydrophobicContact CE1-CG 3.82Å; F105-S531 WeakPolarHBondContact CD2-O 3.04Å; F105-P532 HydrophobicContact CB-CG 4.39Å; F105-F533 HydrophobicContact CB-CE2 4.19Å; F105-F533 HydrophobicContact CB-CZ 4.5Å; F105-F533 AromaticContact CD1-CE2 3.92Å; F105-F533 HydrophobicContact CD1-CE2 3.92Å; F105-F533 HydrophobicContact CD1-CZ 4.47Å; F105-F533 HydrophobicContact CD2-CE2 4.22Å; F105-F533 HydrophobicContact CE1-CE2 4.35Å; F105-F533 AromaticContact CG-CE2 3.85Å; F105-F533 HydrophobicContact CG-CE2 3.85Å; F105-L650 HydrophobicContact CB-CD1 4.4Å; F105-R660 PolarHBondContact O-NH2 2.93Å
106	N	81.9	Confident	73	Confident	27 Å²	27	70.7 Å²	70.7	14%	0.144	35%	0.354	C	S	.	.			trans	-123.7	100.2	-178.5	-169.1	-6.8	0	0	0	109.5	S104 D108 D109 I110 R660	S104-N106 PolarHBondContact O-N 3.42Å; N106-D108 PolarHBondContact O-N 3.07Å; N106-D108 WeakPolarHBondContact OD1-CB 3.12Å; N106-D108 PolarHBondContact OD1-N 3.08Å; N106-D109 HydrophobicContact CB-CB 3.91Å; N106-D109 WeakPolarHBondContact CB-OD2 3.43Å; N106-D109 VanDerWaalsContact CG-CG 3.43Å; N106-D109 VanDerWaalsContact CG-OD2 3.26Å; N106-D109 PolarHBondContact ND2-OD1 2.78Å; N106-D109 VanDerWaalsContact ND2-OD1 3.09Å; N106-D109 PolarHBondContact ND2-OD2 3.42Å; N106-D109 PolarHBondContact O-N 3.28Å; N106-I110 WeakPolarHBondContact O-CG1 3.49Å; N106-I110 PolarHBondContact O-N 2.9Å; N106-R660 VanDerWaalsContact CG-CZ 3.49Å; N106-R660 VanDerWaalsContact CG-NH2 3.25Å; N106-R660 PolarHBondContact ND2-NH1 3.32Å; N106-R660 PolarHBondContact OD1-NH1 2.93Å; N106-R660 PolarHBondContact OD1-NH2 3.19Å
107	A	85.3	Confident	74.7	Confident	6 Å²	6	69 Å²	69	5%	0.05	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-29.3	177.2	0	0	0	0	0	112.3	F105 I110 I111 I511 Y512	F105-A107 HydrophobicContact CE1-CB 4.09Å; A107-I110 PolarHBondContact O-N 3.08Å; A107-I111 WeakPolarHBondContact O-CD1 3.46Å; A107-I111 VanDerWaalsContact O-CG1 3.22Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 3.42Å; A107-I511 HydrophobicContact CB-CG2 4.06Å; A107-Y512 HydrophobicContact CB-CD1 3.23Å; A107-Y512 HydrophobicContact CB-CE1 3.45Å; A107-Y512 VanDerWaalsContact CB-CE1 3.45Å; A107-Y512 HydrophobicContact CB-CG 4.27Å
108	D	90.1	Very high	76.5	Confident	48 Å²	48	65.8 Å²	65.8	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-71	-36.6	175.9	-74.6	-6	0	0	0	112.2	N106 I110 I111 M112 F386 K390 Y512	N106-D108 PolarHBondContact O-N 3.07Å; N106-D108 WeakPolarHBondContact OD1-CB 3.12Å; N106-D108 PolarHBondContact OD1-N 3.08Å; D108-I110 VanDerWaalsContact C-N 3.34Å; D108-I111 PolarHBondContact O-N 2.91Å; D108-M112 VanDerWaalsContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CB 3.5Å; D108-M112 PolarHBondContact O-N 2.84Å; D108-F386 HydrophobicContact CB-CE1 3.6Å; D108-F386 HydrophobicContact CB-CZ 3.7Å; D108-F386 VanDerWaalsContact CG-CE1 3.43Å; D108-F386 VanDerWaalsContact O-CZ 3.3Å; D108-F386 WeakPolarHBondContact O-CZ 3.37Å; D108-K390 IonicContact OD1-NZ 3.12Å; D108-K390 PolarHBondContact OD1-NZ 2.67Å; D108-K390 IonicContact OD2-NZ 3.45Å; D108-Y512 WeakPolarHBondContact OD1-CE1 3.41Å; D108-Y512 PolarHBondContact OD1-OH 2.84Å
109	D	88.7	Confident	78.2	Confident	102 Å²	102	65.2 Å²	65.2	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-36.8	174.7	-63.2	-19.2	0	0	0	111	N106 M112 E113	N106-D109 HydrophobicContact CB-CB 3.91Å; N106-D109 WeakPolarHBondContact CB-OD2 3.43Å; N106-D109 VanDerWaalsContact CG-CG 3.43Å; N106-D109 VanDerWaalsContact CG-OD2 3.26Å; N106-D109 PolarHBondContact ND2-OD1 2.78Å; N106-D109 VanDerWaalsContact ND2-OD1 3.09Å; N106-D109 PolarHBondContact ND2-OD2 3.42Å; N106-D109 PolarHBondContact O-N 3.28Å; D109-M112 WeakPolarHBondContact O-CB 3.37Å; D109-M112 PolarHBondContact O-N 2.98Å; D109-E113 PolarHBondContact O-N 3.09Å
110	I	89.6	Confident	80.2	Confident	22 Å²	22	60.9 Å²	60.9	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-45.7	175.5	-68.4	171.1	0	0	0	110.9	F105 N106 A107 D108 M112 E113 M114 H401 Y403 I511	F105-I110 HydrophobicContact CD2-CD1 4.04Å; F105-I110 HydrophobicContact CE1-CD1 4.41Å; F105-I110 HydrophobicContact CE2-CD1 3.45Å; F105-I110 VanDerWaalsContact CE2-CD1 3.45Å; F105-I110 HydrophobicContact CZ-CD1 3.67Å; N106-I110 WeakPolarHBondContact O-CG1 3.49Å; N106-I110 PolarHBondContact O-N 2.9Å; A107-I110 PolarHBondContact O-N 3.08Å; D108-I110 VanDerWaalsContact C-N 3.34Å; I110-M112 VanDerWaalsContact C-N 3.31Å; I110-E113 WeakPolarHBondContact O-CB 3.31Å; I110-E113 PolarHBondContact O-N 3.12Å; I110-M114 PolarHBondContact O-N 2.85Å; I110-H401 WeakPolarHBondContact CG2-CE1 3.5Å; I110-H401 VanDerWaalsContact CG2-NE2 3.34Å; I110-H401 WeakPolarHBondContact CG2-NE2 3.42Å; I110-Y403 HydrophobicContact CD1-CE1 4.37Å; I110-Y403 HydrophobicContact CG2-CD2 4.27Å; I110-I511 HydrophobicContact CB-CG2 4.36Å; I110-I511 HydrophobicContact CD1-CG2 4.37Å; I110-I511 HydrophobicContact CG2-CG2 3.89Å
111	I	92.4	Very high	81.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-38.2	175	-64.9	163.9	0	0	0	110.1	A107 D108 E113 M114 L115 F386 K390 I397 Q509 I511 Y512	A107-I111 WeakPolarHBondContact O-CD1 3.46Å; A107-I111 VanDerWaalsContact O-CG1 3.22Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 3.42Å; D108-I111 PolarHBondContact O-N 2.91Å; I111-E113 VanDerWaalsContact C-N 3.31Å; I111-E113 PolarHBondContact O-N 3.38Å; I111-M114 WeakPolarHBondContact O-CB 3.24Å; I111-M114 PolarHBondContact O-N 3.03Å; I111-L115 HydrophobicContact CG2-CD1 4.43Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 2.79Å; I111-F386 HydrophobicContact CB-CE2 4.14Å; I111-F386 HydrophobicContact CB-CZ 4.08Å; I111-F386 HydrophobicContact CG2-CE2 3.79Å; I111-F386 HydrophobicContact CG2-CZ 4.08Å; I111-K390 HydrophobicContact CD1-CD 4.29Å; I111-K390 HydrophobicContact CD1-CG 4.48Å; I111-K390 HydrophobicContact CG2-CG 4.13Å; I111-I397 HydrophobicContact CD1-CG2 4.27Å; I111-I397 HydrophobicContact CG1-CG2 4Å; I111-I397 HydrophobicContact CG2-CD1 3.95Å; I111-I397 HydrophobicContact CG2-CG1 4.47Å; I111-I397 HydrophobicContact CG2-CG2 4.34Å; I111-Q509 HydrophobicContact CD1-CB 4.08Å; I111-Q509 HydrophobicContact CD1-CG 3.78Å; I111-I511 HydrophobicContact CD1-CD1 4.29Å; I111-I511 HydrophobicContact CG1-CD1 3.7Å; I111-Y512 HydrophobicContact CD1-CE1 4.39Å
112	M	93.9	Very high	83.8	Confident	40 Å²	40	67.6 Å²	67.6	20%	0.197	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-40	176.3	-169.7	64.6	73.4	0	0	111.8	D108 D109 I110 M114 L115 Q116 Y133 F386	D108-M112 VanDerWaalsContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CB 3.5Å; D108-M112 PolarHBondContact O-N 2.84Å; D109-M112 WeakPolarHBondContact O-CB 3.37Å; D109-M112 PolarHBondContact O-N 2.98Å; I110-M112 VanDerWaalsContact C-N 3.31Å; M112-M114 VanDerWaalsContact C-N 3.31Å; M112-M114 PolarHBondContact O-N 3.36Å; M112-L115 PolarHBondContact O-N 3.16Å; M112-L115 VanDerWaalsContact O-N 3.12Å; M112-Q116 HydrophobicContact CG-CG 4.49Å; M112-Q116 WeakPolarHBondContact O-CG 2.9Å; M112-Q116 PolarHBondContact O-N 3.36Å; M112-Y133 HydrophobicContact CE-CE2 4.31Å; M112-Y133 HydrophobicContact SD-CE1 4.1Å; M112-Y133 HydrophobicContact SD-CE2 4.24Å; M112-Y133 PolarHBondContact SD-OH 3.11Å; M112-Y133 VanDerWaalsContact SD-OH 3.39Å; M112-F386 HydrophobicContact CB-CE2 4.28Å; M112-F386 HydrophobicContact CE-CB 4.03Å; M112-F386 HydrophobicContact CE-CD2 3.28Å; M112-F386 HydrophobicContact CE-CE2 3.76Å; M112-F386 HydrophobicContact CE-CG 3.7Å; M112-F386 HydrophobicContact SD-CD2 4.11Å; M112-F386 HydrophobicContact SD-CE2 4.41Å
113	E	93	Very high	86	Confident	126 Å²	126	65 Å²	65	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-59.1	-43.2	173.9	-171	-175.7	162	0	0	110.9	D109 I110 I111 L115 Q116 S117	D109-E113 PolarHBondContact O-N 3.09Å; I110-E113 WeakPolarHBondContact O-CB 3.31Å; I110-E113 PolarHBondContact O-N 3.12Å; I111-E113 VanDerWaalsContact C-N 3.31Å; I111-E113 PolarHBondContact O-N 3.38Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 2.99Å; E113-Q116 CarbonylContact O-C 3.59Å; E113-Q116 PolarHBondContact O-N 2.93Å; E113-Q116 VanDerWaalsContact O-N 3.16Å; E113-S117 WeakPolarHBondContact O-CB 3.32Å; E113-S117 PolarHBondContact O-N 2.94Å
114	M	94.1	Very high	88	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-41.1	173.4	176.4	-178.4	-179.4	0	0	112.5	I110 I111 M112 Q116 Y120 V126 Q130 T396 I397 E400 H401	I110-M114 PolarHBondContact O-N 2.85Å; I111-M114 WeakPolarHBondContact O-CB 3.24Å; I111-M114 PolarHBondContact O-N 3.03Å; M112-M114 VanDerWaalsContact C-N 3.31Å; M112-M114 PolarHBondContact O-N 3.36Å; M114-Q116 PolarHBondContact O-N 3.35Å; M114-Y120 HydrophobicContact CB-CE2 4.03Å; M114-Y120 HydrophobicContact CE-CE1 4.37Å; M114-Y120 HydrophobicContact CG-CD2 4.06Å; M114-Y120 HydrophobicContact CG-CE1 4.48Å; M114-Y120 HydrophobicContact CG-CE2 3.69Å; M114-V126 HydrophobicContact CE-CB 4.11Å; M114-V126 HydrophobicContact CE-CG1 3.65Å; M114-V126 HydrophobicContact CE-CG2 3.33Å; M114-V126 HydrophobicContact CG-CG1 4.13Å; M114-Q130 PolarHBondContact O-NE2 3.23Å; M114-T396 HydrophobicContact CE-CG2 4.46Å; M114-I397 HydrophobicContact SD-CG1 4.38Å; M114-I397 HydrophobicContact SD-CG2 4.49Å; M114-E400 HydrophobicContact CE-CB 4.11Å; M114-H401 HydrophobicContact SD-CB 3.98Å
115	L	94	Very high	89.4	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-72.4	-15.8	178.6	-64.6	178	0	0	0	113.8	I111 M112 E113 A129 Q130 Y133 F386 T389	I111-L115 HydrophobicContact CG2-CD1 4.43Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 2.79Å; M112-L115 PolarHBondContact O-N 3.16Å; M112-L115 VanDerWaalsContact O-N 3.12Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 2.99Å; L115-A129 HydrophobicContact CD2-CB 4.11Å; L115-Q130 WeakPolarHBondContact O-CG 3.18Å; L115-Y133 HydrophobicContact CB-CD1 4.48Å; L115-Y133 HydrophobicContact CD1-CD2 4.21Å; L115-Y133 HydrophobicContact CD1-CG 4.23Å; L115-F386 HydrophobicContact CD1-CD2 3.91Å; L115-F386 HydrophobicContact CD1-CE2 4.08Å; L115-T389 HydrophobicContact CD1-CG2 3.77Å; L115-T389 HydrophobicContact CD2-CG2 3.71Å; L115-T389 HydrophobicContact CG-CG2 4.41Å
116	Q	92.6	Very high	90.4	Very high	133 Å²	133	57 Å²	57	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-111.2	-8.9	-179.1	-66.4	177.9	-8.5	0	0	113.4	M112 E113 M114	M112-Q116 HydrophobicContact CG-CG 4.49Å; M112-Q116 WeakPolarHBondContact O-CG 2.9Å; M112-Q116 PolarHBondContact O-N 3.36Å; E113-Q116 CarbonylContact O-C 3.59Å; E113-Q116 PolarHBondContact O-N 2.93Å; E113-Q116 VanDerWaalsContact O-N 3.16Å; M114-Q116 PolarHBondContact O-N 3.35Å
117	S	91.6	Very high	91	Very high	37 Å²	37	61.3 Å²	61.3	26%	0.259	34%	0.337	S	S	.	.			trans	-84.1	141.9	-174.4	177.6	0	0	0	0	112.9	E113 G119 Q130	E113-S117 WeakPolarHBondContact O-CB 3.32Å; E113-S117 PolarHBondContact O-N 2.94Å; S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact OG-N 3.06Å; S117-Q130 PolarHBondContact O-NE2 3.03Å
118	T	89	Confident	91.5	Very high	104 Å²	104	63.1 Å²	63.1	64%	0.638	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-81.5	-6.2	168.1	55.7	0	0	0	0	112.7	Y120 E121	T118-Y120 PolarHBondContact O-N 2.92Å; T118-Y120 VanDerWaalsContact O-N 3.11Å; T118-E121 WeakPolarHBondContact CB-OE1 3.44Å; T118-E121 VanDerWaalsContact O-CG 3.29Å; T118-E121 WeakPolarHBondContact O-CG 3.31Å; T118-E121 PolarHBondContact O-N 3.46Å
119	G	88.7	Confident	91.8	Very high	64 Å²	64	60.9 Å²	60.9	66%	0.66	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-69	-6.3	-178.5	0	0	0	0	0	115.1	S117	S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact OG-N 3.06Å
120	Y	89.6	Confident	92.1	Very high	39 Å²	39	57.3 Å²	57.3	15%	0.153	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-113.2	19	179.1	-62.9	-88	0	0	0	112.8	M114 T118 D122 V123 V126 H401	M114-Y120 HydrophobicContact CB-CE2 4.03Å; M114-Y120 HydrophobicContact CE-CE1 4.37Å; M114-Y120 HydrophobicContact CG-CD2 4.06Å; M114-Y120 HydrophobicContact CG-CE1 4.48Å; M114-Y120 HydrophobicContact CG-CE2 3.69Å; T118-Y120 PolarHBondContact O-N 2.92Å; T118-Y120 VanDerWaalsContact O-N 3.11Å; Y120-D122 PolarHBondContact O-N 3.23Å; Y120-V123 HydrophobicContact CD1-CG2 4.33Å; Y120-V123 PolarHBondContact O-N 2.94Å; Y120-V126 VanDerWaalsContact CB-CG1 3.48Å; Y120-V126 HydrophobicContact CD1-CB 4.49Å; Y120-V126 HydrophobicContact CD1-CG1 4.2Å; Y120-V126 HydrophobicContact CD1-CG2 4.11Å; Y120-V126 HydrophobicContact CD2-CG1 4.31Å; Y120-V126 HydrophobicContact CG-CB 4.39Å; Y120-V126 HydrophobicContact CG-CG1 3.77Å; Y120-V126 HydrophobicContact CG-CG2 4.48Å; Y120-H401 PolarHBondContact OH-CD2 2.89Å
121	E	83.7	Confident	92.4	Very high	134 Å²	134	57.7 Å²	57.7	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.1	-179.9	-84.6	176.8	-163.5	0	0	113.4	T118 V123	T118-E121 WeakPolarHBondContact CB-OE1 3.44Å; T118-E121 VanDerWaalsContact O-CG 3.29Å; T118-E121 WeakPolarHBondContact O-CG 3.31Å; T118-E121 PolarHBondContact O-N 3.46Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.36Å
122	D	88.7	Confident	92.6	Very high	159 Å²	159	57.7 Å²	57.7	85%	0.85	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.1	179.1	-66.3	-38.3	0	0	0	114	Y120 P124	Y120-D122 PolarHBondContact O-N 3.23Å; D122-P124 WeakPolarHBondContact O-CD 3.41Å
123	V	92.6	Very high	92.7	Very high	32 Å²	32	57.2 Å²	57.2	19%	0.194	32%	0.315	C	S	.	.			trans	-110.2	97.7	-178.2	-168.6	0	0	0	0	110	Y120 E121 S125 V126 K127 E400	Y120-V123 HydrophobicContact CD1-CG2 4.33Å; Y120-V123 PolarHBondContact O-N 2.94Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.36Å; V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.18Å; V123-V126 HydrophobicContact CB-CB 4.16Å; V123-V126 HydrophobicContact CB-CG2 3.93Å; V123-V126 HydrophobicContact CG1-CB 4.24Å; V123-V126 HydrophobicContact CG1-CG2 3.58Å; V123-V126 PolarHBondContact O-N 2.94Å; V123-V126 VanDerWaalsContact O-N 3.1Å; V123-K127 PolarHBondContact O-N 3.33Å; V123-K127 VanDerWaalsContact O-N 3.07Å; V123-E400 HydrophobicContact CG1-CG 3.86Å
124	P	92.4	Very high	92.9	Very high	99 Å²	99	54.8 Å²	54.8	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-57.6	-39.3	-170.5	-27.9	35.6	0	0	0	114.6	D122 K127 V128	D122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-K127 PolarHBondContact O-N 2.85Å; P124-V128 WeakPolarHBondContact O-CG2 3.46Å; P124-V128 PolarHBondContact O-N 3.33Å
125	S	92.6	Very high	93	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-38.3	179.7	52.9	0	0	0	0	112.4	V123 V128 A129 T396	V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.18Å; S125-V128 PolarHBondContact O-N 2.89Å; S125-A129 PolarHBondContact O-N 3.35Å; S125-T396 WeakPolarHBondContact CB-OG1 3.49Å; S125-T396 WeakPolarHBondContact OG-CG2 3.26Å
126	V	95	Very high	93.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-43	175.6	-177.4	0	0	0	0	110.1	M114 Y120 V123 V128 A129 Q130 T396 E400	M114-V126 HydrophobicContact CE-CB 4.11Å; M114-V126 HydrophobicContact CE-CG1 3.65Å; M114-V126 HydrophobicContact CE-CG2 3.33Å; M114-V126 HydrophobicContact CG-CG1 4.13Å; Y120-V126 VanDerWaalsContact CB-CG1 3.48Å; Y120-V126 HydrophobicContact CD1-CB 4.49Å; Y120-V126 HydrophobicContact CD1-CG1 4.2Å; Y120-V126 HydrophobicContact CD1-CG2 4.11Å; Y120-V126 HydrophobicContact CD2-CG1 4.31Å; Y120-V126 HydrophobicContact CG-CB 4.39Å; Y120-V126 HydrophobicContact CG-CG1 3.77Å; Y120-V126 HydrophobicContact CG-CG2 4.48Å; V123-V126 HydrophobicContact CB-CB 4.16Å; V123-V126 HydrophobicContact CB-CG2 3.93Å; V123-V126 HydrophobicContact CG1-CB 4.24Å; V123-V126 HydrophobicContact CG1-CG2 3.58Å; V123-V126 PolarHBondContact O-N 2.94Å; V123-V126 VanDerWaalsContact O-N 3.1Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.27Å; V126-A129 WeakPolarHBondContact O-CA 3.27Å; V126-A129 WeakPolarHBondContact O-CB 3.38Å; V126-A129 PolarHBondContact O-N 3.47Å; V126-Q130 HydrophobicContact CG1-CG 4.35Å; V126-Q130 VanDerWaalsContact O-CG 3.3Å; V126-Q130 WeakPolarHBondContact O-CG 3.31Å; V126-Q130 PolarHBondContact O-N 3.15Å; V126-T396 HydrophobicContact CB-CG2 4.47Å; V126-T396 HydrophobicContact CG2-CG2 3.68Å; V126-E400 HydrophobicContact CG2-CB 3.9Å; V126-E400 HydrophobicContact CG2-CG 3.99Å
127	K	94	Very high	93.2	Very high	117 Å²	117	50.7 Å²	50.7	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-57.1	-41.1	174.3	-173.5	177.1	-179.3	177.2	0	112	V123 P124 Q130 T131	V123-K127 PolarHBondContact O-N 3.33Å; V123-K127 VanDerWaalsContact O-N 3.07Å; P124-K127 PolarHBondContact O-N 2.85Å; K127-Q130 PolarHBondContact O-N 3.49Å; K127-T131 WeakPolarHBondContact O-CB 3.34Å; K127-T131 PolarHBondContact O-N 3.37Å; K127-T131 PolarHBondContact O-OG1 2.99Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å
128	V	94.7	Very high	93.4	Very high	44 Å²	44	53.2 Å²	53.2	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-40	175.5	176.8	0	0	0	0	111.5	P124 S125 V126 T131 F132 F393 L471 L475	P124-V128 WeakPolarHBondContact O-CG2 3.46Å; P124-V128 PolarHBondContact O-N 3.33Å; S125-V128 PolarHBondContact O-N 2.89Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.27Å; V128-T131 PolarHBondContact O-N 3.12Å; V128-F132 PolarHBondContact O-N 3.2Å; V128-F393 HydrophobicContact CB-CE1 4.42Å; V128-F393 HydrophobicContact CG1-CE1 3.9Å; V128-F393 HydrophobicContact CG1-CZ 4.06Å; V128-L471 HydrophobicContact CB-CD2 3.97Å; V128-L471 HydrophobicContact CG1-CD2 3.62Å; V128-L471 HydrophobicContact CG2-CD2 4.41Å; V128-L475 HydrophobicContact CG1-CD1 3.43Å; V128-L475 VanDerWaalsContact CG1-CD1 3.43Å; V128-L475 HydrophobicContact CG1-CG 4.08Å
129	A	96.1	Very high	93.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-42.3	174.2	0	0	0	0	0	112.3	L115 S125 V126 F132 Y133 T389 F393	L115-A129 HydrophobicContact CD2-CB 4.11Å; S125-A129 PolarHBondContact O-N 3.35Å; V126-A129 WeakPolarHBondContact O-CA 3.27Å; V126-A129 WeakPolarHBondContact O-CB 3.38Å; V126-A129 PolarHBondContact O-N 3.47Å; A129-F132 PolarHBondContact O-N 3.44Å; A129-Y133 PolarHBondContact O-N 3.36Å; A129-T389 HydrophobicContact CB-CG2 4.35Å; A129-F393 HydrophobicContact CB-CB 3.92Å; A129-F393 HydrophobicContact CB-CD1 3.61Å; A129-F393 HydrophobicContact CB-CD2 3.76Å; A129-F393 HydrophobicContact CB-CE1 4.02Å; A129-F393 HydrophobicContact CB-CE2 4.18Å; A129-F393 HydrophobicContact CB-CG 3.46Å; A129-F393 VanDerWaalsContact CB-CG 3.46Å; A129-F393 HydrophobicContact CB-CZ 4.29Å
130	Q	96.1	Very high	93.8	Very high	26 Å²	26	47.9 Å²	47.9	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-46.1	174.8	-67.3	177	-19.2	0	0	111.1	M114 L115 S117 V126 K127 F132 Y133 N134	M114-Q130 PolarHBondContact O-NE2 3.23Å; L115-Q130 WeakPolarHBondContact O-CG 3.18Å; S117-Q130 PolarHBondContact O-NE2 3.03Å; V126-Q130 HydrophobicContact CG1-CG 4.35Å; V126-Q130 VanDerWaalsContact O-CG 3.3Å; V126-Q130 WeakPolarHBondContact O-CG 3.31Å; V126-Q130 PolarHBondContact O-N 3.15Å; K127-Q130 PolarHBondContact O-N 3.49Å; Q130-F132 PolarHBondContact O-N 2.89Å; Q130-Y133 PolarHBondContact O-N 3.17Å; Q130-N134 VanDerWaalsContact O-CB 3.32Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.2Å; Q130-N134 PolarHBondContact O-ND2 3.47Å
131	T	95	Very high	93.9	Very high	30 Å²	30	50.7 Å²	50.7	18%	0.184	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-47.4	174.4	-68.1	0	0	0	0	111.3	K127 V128 Y133 N134 T135 E477	K127-T131 WeakPolarHBondContact O-CB 3.34Å; K127-T131 PolarHBondContact O-N 3.37Å; K127-T131 PolarHBondContact O-OG1 2.99Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å; V128-T131 PolarHBondContact O-N 3.12Å; T131-Y133 PolarHBondContact O-N 2.97Å; T131-N134 PolarHBondContact O-N 3.02Å; T131-T135 HydrophobicContact CG2-CG2 4.21Å; T131-T135 WeakPolarHBondContact O-CG2 3.38Å; T131-T135 PolarHBondContact O-N 3.09Å; T131-T135 PolarHBondContact O-OG1 3.03Å; T131-E477 HydrophobicContact CG2-CB 4.23Å; T131-E477 HydrophobicContact CG2-CG 3.82Å
132	F	97.1	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-50.7	177.4	-179.4	-81.4	0	0	0	111.1	V128 A129 Q130 N134 T135 C136 E388 T389 F393 I470 L475 N483	V128-F132 PolarHBondContact O-N 3.2Å; A129-F132 PolarHBondContact O-N 3.44Å; Q130-F132 PolarHBondContact O-N 2.89Å; F132-N134 PolarHBondContact O-N 3.19Å; F132-T135 PolarHBondContact O-N 3.26Å; F132-T135 PolarHBondContact O-OG1 2.73Å; F132-C136 PolarHBondContact O-N 3.11Å; F132-E388 HydrophobicContact CE1-CB 3.83Å; F132-E388 HydrophobicContact CZ-CB 4.12Å; F132-T389 WeakPolarHBondContact CD1-OG1 3.48Å; F132-F393 HydrophobicContact CB-CE2 3.55Å; F132-F393 HydrophobicContact CB-CZ 3.83Å; F132-F393 HydrophobicContact CD1-CE2 4Å; F132-F393 HydrophobicContact CD2-CE2 4.06Å; F132-F393 HydrophobicContact CD2-CZ 4.41Å; F132-F393 AromaticContact CG-CE2 3.61Å; F132-F393 HydrophobicContact CG-CE2 3.61Å; F132-F393 HydrophobicContact CG-CZ 4.19Å; F132-I470 HydrophobicContact CD2-CD1 3.99Å; F132-I470 HydrophobicContact CE2-CD1 3.75Å; F132-L475 HydrophobicContact CB-CD1 4.36Å; F132-L475 HydrophobicContact CD2-CD1 4.11Å; F132-N483 HydrophobicContact CD2-CB 3.72Å; F132-N483 HydrophobicContact CE2-CB 3.69Å
133	Y	97	Very high	94.7	Very high	31 Å²	31	41 Å²	41	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-48.3	177.8	178.9	-105.7	0	0	0	111.8	M112 L115 A129 Q130 T131 T135 C136 T137 C385 F386	M112-Y133 HydrophobicContact CE-CE2 4.31Å; M112-Y133 HydrophobicContact SD-CE1 4.1Å; M112-Y133 HydrophobicContact SD-CE2 4.24Å; M112-Y133 PolarHBondContact SD-OH 3.11Å; M112-Y133 VanDerWaalsContact SD-OH 3.39Å; L115-Y133 HydrophobicContact CB-CD1 4.48Å; L115-Y133 HydrophobicContact CD1-CD2 4.21Å; L115-Y133 HydrophobicContact CD1-CG 4.23Å; A129-Y133 PolarHBondContact O-N 3.36Å; Q130-Y133 PolarHBondContact O-N 3.17Å; T131-Y133 PolarHBondContact O-N 2.97Å; Y133-T135 PolarHBondContact O-N 3.48Å; Y133-C136 PolarHBondContact O-N 3.02Å; Y133-T137 HydrophobicContact CD1-CG2 4.31Å; Y133-T137 HydrophobicContact CD2-CG2 4.42Å; Y133-T137 HydrophobicContact CE1-CG2 3.85Å; Y133-T137 HydrophobicContact CE2-CG2 3.96Å; Y133-T137 WeakPolarHBondContact O-CG2 3.22Å; Y133-T137 PolarHBondContact O-N 2.8Å; Y133-T137 PolarHBondContact O-OG1 3.29Å; Y133-C385 HydrophobicContact CD2-CB 4.06Å; Y133-C385 HydrophobicContact CE2-CB 3.99Å; Y133-F386 HydrophobicContact CE2-CB 4.1Å
134	N	96	Very high	94.8	Very high	74 Å²	74	46 Å²	46	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-40.1	179.8	-71	-23.2	0	0	0	112.4	Q130 T131 F132 C136 T137 I138	Q130-N134 VanDerWaalsContact O-CB 3.32Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 PolarHBondContact O-N 3.2Å; Q130-N134 PolarHBondContact O-ND2 3.47Å; T131-N134 PolarHBondContact O-N 3.02Å; F132-N134 PolarHBondContact O-N 3.19Å; N134-C136 VanDerWaalsContact C-N 3.29Å; N134-C136 PolarHBondContact O-N 2.03Å; N134-T137 WeakPolarHBondContact CA-OG1 3.37Å; N134-T137 PolarHBondContact O-N 3.35Å; N134-T137 PolarHBondContact O-OG1 3.42Å; N134-I138 WeakPolarHBondContact O-CB 3.46Å; N134-I138 WeakPolarHBondContact O-CD1 3.29Å; N134-I138 WeakPolarHBondContact O-CG1 3.43Å; N134-I138 PolarHBondContact O-N 2.93Å
135	T	96.5	Very high	95	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-39.6	177.3	64.1	0	0	0	0	111.9	T131 F132 Y133 A139 S476 E477 N483	T131-T135 HydrophobicContact CG2-CG2 4.21Å; T131-T135 WeakPolarHBondContact O-CG2 3.38Å; T131-T135 PolarHBondContact O-N 3.09Å; T131-T135 PolarHBondContact O-OG1 3.03Å; F132-T135 PolarHBondContact O-N 3.26Å; F132-T135 PolarHBondContact O-OG1 2.73Å; Y133-T135 PolarHBondContact O-N 3.48Å; T135-A139 VanDerWaalsContact O-CB 3.31Å; T135-A139 WeakPolarHBondContact O-CB 3.38Å; T135-A139 PolarHBondContact O-N 2.61Å; T135-S476 WeakPolarHBondContact CG2-O 3.32Å; T135-E477 VanDerWaalsContact CG2-C 3.45Å; T135-E477 WeakPolarHBondContact CG2-O 3.4Å; T135-N483 PolarHBondContact OG1-ND2 3.3Å
136	C	96.2	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-43.9	177.8	-178.6	0	0	0	0	112.4	F132 Y133 N134 A139 S140 C385 Y480	F132-C136 PolarHBondContact O-N 3.11Å; Y133-C136 PolarHBondContact O-N 3.02Å; N134-C136 VanDerWaalsContact C-N 3.29Å; N134-C136 PolarHBondContact O-N 2.03Å; C136-A139 PolarHBondContact O-N 3.32Å; C136-S140 PolarHBondContact O-N 2.92Å; C136-S140 PolarHBondContact O-OG 3.13Å; C136-C385 HydrophobicContact CB-CB 3.6Å; C136-C385 WeakPolarHBondContact CB-SG 3.31Å; C136-C385 WeakPolarHBondContact SG-CA 3.18Å; C136-C385 WeakPolarHBondContact SG-CB 3.35Å; C136-C385 CovalentContact SG-SG 2.04Å; C136-C385 PolarHBondContact SG-SG 2.84Å; C136-Y480 HydrophobicContact CB-CD2 3.44Å; C136-Y480 VanDerWaalsContact CB-CD2 3.44Å; C136-Y480 HydrophobicContact CB-CE2 3.52Å; C136-Y480 HydrophobicContact CB-CG 4.13Å; C136-Y480 WeakPolarHBondContact SG-CE2 3.4Å
137	T	95.1	Very high	95.2	Very high	47 Å²	47	50 Å²	50	29%	0.288	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-40.6	179.2	55.8	0	0	0	0	111.5	Y133 N134 S140 S141 C385	Y133-T137 HydrophobicContact CD1-CG2 4.31Å; Y133-T137 HydrophobicContact CD2-CG2 4.42Å; Y133-T137 HydrophobicContact CE1-CG2 3.85Å; Y133-T137 HydrophobicContact CE2-CG2 3.96Å; Y133-T137 WeakPolarHBondContact O-CG2 3.22Å; Y133-T137 PolarHBondContact O-N 2.8Å; Y133-T137 PolarHBondContact O-OG1 3.29Å; N134-T137 WeakPolarHBondContact CA-OG1 3.37Å; N134-T137 PolarHBondContact O-N 3.35Å; N134-T137 PolarHBondContact O-OG1 3.42Å; T137-S140 WeakPolarHBondContact O-CB 3.22Å; T137-S140 PolarHBondContact O-N 3.14Å; T137-S141 PolarHBondContact O-N 3.41Å; T137-C385 HydrophobicContact CG2-CB 4.17Å
138	I	95.7	Very high	95.3	Very high	91 Å²	91	47.8 Å²	47.8	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-48.3	173.3	-65.1	167.2	0	0	0	109.9	N134 S140 S141 M142	N134-I138 WeakPolarHBondContact O-CB 3.46Å; N134-I138 WeakPolarHBondContact O-CD1 3.29Å; N134-I138 WeakPolarHBondContact O-CG1 3.43Å; N134-I138 PolarHBondContact O-N 2.93Å; I138-S140 VanDerWaalsContact C-N 3.28Å; I138-S140 PolarHBondContact O-N 3.37Å; I138-S141 PolarHBondContact O-N 2.87Å; I138-S141 PolarHBondContact O-OG 3.48Å; I138-M142 HydrophobicContact CG2-CE 3.6Å; I138-M142 WeakPolarHBondContact O-CG 3.45Å; I138-M142 PolarHBondContact O-N 2.73Å
139	A	95.4	Very high	95.4	Very high	2 Å²	2	52 Å²	52	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-43.3	178.5	0	0	0	0	0	111.8	T135 C136 S141 M142 Y369 Y480	T135-A139 VanDerWaalsContact O-CB 3.31Å; T135-A139 WeakPolarHBondContact O-CB 3.38Å; T135-A139 PolarHBondContact O-N 2.61Å; C136-A139 PolarHBondContact O-N 3.32Å; A139-S141 PolarHBondContact O-N 3.1Å; A139-S141 VanDerWaalsContact O-N 3.08Å; A139-M142 WeakPolarHBondContact O-CB 3.35Å; A139-M142 PolarHBondContact O-N 3.37Å; A139-Y369 WeakPolarHBondContact O-CE1 3.2Å; A139-Y480 HydrophobicContact CB-CD1 3.94Å; A139-Y480 HydrophobicContact CB-CG 4.09Å
140	S	90.4	Very high	95.5	Very high	53 Å²	53	53.6 Å²	53.6	37%	0.371	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-22.8	177.5	-59.4	0	0	0	0	113.8	C136 T137 I138 Q368	C136-S140 PolarHBondContact O-N 2.92Å; C136-S140 PolarHBondContact O-OG 3.13Å; T137-S140 WeakPolarHBondContact O-CB 3.22Å; T137-S140 PolarHBondContact O-N 3.14Å; I138-S140 VanDerWaalsContact C-N 3.28Å; I138-S140 PolarHBondContact O-N 3.37Å; S140-Q368 PolarHBondContact OG-NE2 3.19Å
141	S	91.7	Very high	95.6	Very high	98 Å²	98	52.4 Å²	52.4	69%	0.685	29%	0.285	S	S	*	.	H	α-helix	trans	-95.5	-6.6	177	73.7	0	0	0	0	114.3	T137 I138 A139	T137-S141 PolarHBondContact O-N 3.41Å; I138-S141 PolarHBondContact O-N 2.87Å; I138-S141 PolarHBondContact O-OG 3.48Å; A139-S141 PolarHBondContact O-N 3.1Å; A139-S141 VanDerWaalsContact O-N 3.08Å
142	M	94.8	Very high	95.6	Very high	48 Å²	48	52.4 Å²	52.4	24%	0.236	29%	0.291	C	S	.	.	S	Bend	trans	-75.9	143.8	-177.2	-65.7	-172.7	-171.1	0	0	112.3	I138 A139 L146 I147 K150	I138-M142 HydrophobicContact CG2-CE 3.6Å; I138-M142 WeakPolarHBondContact O-CG 3.45Å; I138-M142 PolarHBondContact O-N 2.73Å; A139-M142 WeakPolarHBondContact O-CB 3.35Å; A139-M142 PolarHBondContact O-N 3.37Å; M142-L146 HydrophobicContact CB-CB 4.25Å; M142-L146 HydrophobicContact SD-CB 4.2Å; M142-I147 HydrophobicContact CB-CD1 3.84Å; M142-I147 HydrophobicContact CB-CG1 4.05Å; M142-I147 HydrophobicContact SD-CD1 4.34Å; M142-K150 HydrophobicContact SD-CG 4.36Å
143	G	94.3	Very high	95.6	Very high	43 Å²	43	55.6 Å²	55.6	44%	0.443	31%	0.306	S	S	.	.			trans	-68.3	151.6	169.1	0	0	0	0	0	112.6	P145 L146 I147	G143-P145 VanDerWaalsContact C-N 3.33Å; G143-P145 VanDerWaalsContact O-N 3.12Å; G143-L146 PolarHBondContact O-N 2.99Å; G143-I147 PolarHBondContact O-N 2.88Å
144	R	95	Very high	95.7	Very high	137 Å²	137	54.1 Å²	54.1	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-45.8	-42.5	-179.9	-70.4	-177.5	179.6	176.3	5.6	114.9	L146 I147 K148 Y369 F370	R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 2.88Å; R144-I147 PolarHBondContact O-N 3.37Å; R144-K148 WeakPolarHBondContact O-CG 3.3Å; R144-K148 PolarHBondContact O-N 2.92Å; R144-Y369 PolarHBondContact NE-O 3.24Å; R144-Y369 VanDerWaalsContact NE-O 3.13Å; R144-F370 HydrophobicContact CB-CE1 3.92Å; R144-F370 HydrophobicContact CB-CZ 4.42Å; R144-F370 HydrophobicContact CG-CD1 4.32Å; R144-F370 HydrophobicContact CG-CE1 3.8Å
145	P	95.7	Very high	95.8	Very high	104 Å²	104	50.7 Å²	50.7	68%	0.675	28%	0.282	S	S	*	.	H	α-helix	trans	-60.8	-37.8	178.7	-25.2	35.7	0	0	0	114.1	G143 K149	G143-P145 VanDerWaalsContact C-N 3.33Å; G143-P145 VanDerWaalsContact O-N 3.12Å; P145-K149 PolarHBondContact O-N 2.95Å; P145-K149 VanDerWaalsContact O-N 3.15Å
146	L	96.4	Very high	95.7	Very high	97 Å²	97	56.9 Å²	56.9	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-71.2	-39.6	176.6	-69.8	174.5	0	0	0	110.9	M142 G143 R144 K148 K149 K150	M142-L146 HydrophobicContact CB-CB 4.25Å; M142-L146 HydrophobicContact SD-CB 4.2Å; G143-L146 PolarHBondContact O-N 2.99Å; R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 2.88Å; L146-K148 PolarHBondContact O-N 2.64Å; L146-K149 WeakPolarHBondContact O-CB 3.3Å; L146-K149 PolarHBondContact O-N 3.45Å; L146-K150 WeakPolarHBondContact O-CG 3.44Å; L146-K150 PolarHBondContact O-N 3.43Å
147	I	96.9	Very high	95.7	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-47.3	173.8	-64.9	-63.3	0	0	0	111.2	M142 G143 R144 K149 K150 I151 Y369 F370 F481	M142-I147 HydrophobicContact CB-CD1 3.84Å; M142-I147 HydrophobicContact CB-CG1 4.05Å; M142-I147 HydrophobicContact SD-CD1 4.34Å; G143-I147 PolarHBondContact O-N 2.88Å; R144-I147 PolarHBondContact O-N 3.37Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 3.33Å; I147-K150 PolarHBondContact O-N 2.94Å; I147-I151 HydrophobicContact CG2-CD1 3.8Å; I147-I151 HydrophobicContact CG2-CG1 4.46Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 2.93Å; I147-Y369 HydrophobicContact CD1-CD1 3.62Å; I147-Y369 HydrophobicContact CD1-CE1 3.49Å; I147-Y369 VanDerWaalsContact CD1-CE1 3.49Å; I147-Y369 HydrophobicContact CD1-CG 4.22Å; I147-Y369 HydrophobicContact CG1-CD1 3.64Å; I147-Y369 HydrophobicContact CG1-CE1 4.05Å; I147-Y369 HydrophobicContact CG1-CG 4.12Å; I147-Y369 HydrophobicContact CG2-CD1 4.32Å; I147-Y369 HydrophobicContact CG2-CD2 4.27Å; I147-Y369 HydrophobicContact CG2-CG 3.92Å; I147-F370 HydrophobicContact CB-CZ 4.42Å; I147-F370 HydrophobicContact CG2-CE2 3.67Å; I147-F370 HydrophobicContact CG2-CZ 3.94Å; I147-F481 HydrophobicContact CD1-CE2 3.83Å; I147-F481 HydrophobicContact CD1-CZ 4.05Å; I147-F481 HydrophobicContact CG2-CE2 3.9Å; I147-F481 HydrophobicContact CG2-CZ 3.64Å
148	K	96.1	Very high	95.8	Very high	72 Å²	72	60.2 Å²	60.2	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-54.9	-44.9	174.5	-68.7	-166.2	-168.6	-155.4	0	111.6	R144 L146 K150 I151 G152 E253 N254 F370	R144-K148 WeakPolarHBondContact O-CG 3.3Å; R144-K148 PolarHBondContact O-N 2.92Å; L146-K148 PolarHBondContact O-N 2.64Å; K148-K150 PolarHBondContact O-N 3.43Å; K148-I151 PolarHBondContact O-N 3.32Å; K148-G152 PolarHBondContact O-N 2.93Å; K148-E253 PolarHBondContact NZ-O 2.96Å; K148-N254 WeakPolarHBondContact CD-O 3.27Å; K148-N254 WeakPolarHBondContact CE-O 3.4Å; K148-N254 VanDerWaalsContact CG-O 3.26Å; K148-N254 WeakPolarHBondContact CG-O 3.48Å; K148-F370 HydrophobicContact CG-CE1 4.35Å; K148-F370 HydrophobicContact CG-CZ 3.78Å
149	K	96.6	Very high	95.8	Very high	131 Å²	131	56.1 Å²	56.1	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-60.4	-43.2	175.8	-177.5	-179.1	175	-178.4	0	112	P145 L146 I147 G152 E153	P145-K149 PolarHBondContact O-N 2.95Å; P145-K149 VanDerWaalsContact O-N 3.15Å; L146-K149 WeakPolarHBondContact O-CB 3.3Å; L146-K149 PolarHBondContact O-N 3.45Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 3.33Å; K149-G152 PolarHBondContact O-N 3.47Å; K149-E153 WeakPolarHBondContact CE-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CG 3.2Å; K149-E153 PolarHBondContact O-N 3.28Å
150	K	97.4	Very high	95.8	Very high	35 Å²	35	60.9 Å²	60.9	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-35.9	178.8	-66.4	-59.5	176.8	-177.8	0	113.4	M142 L146 I147 K148 E153 L154 N478 N479 F481	M142-K150 HydrophobicContact SD-CG 4.36Å; L146-K150 WeakPolarHBondContact O-CG 3.44Å; L146-K150 PolarHBondContact O-N 3.43Å; I147-K150 PolarHBondContact O-N 2.94Å; K148-K150 PolarHBondContact O-N 3.43Å; K150-E153 VanDerWaalsContact CD-OE2 3.25Å; K150-E153 WeakPolarHBondContact CD-OE2 3.49Å; K150-E153 IonicContact NZ-OE1 3.24Å; K150-E153 IonicContact NZ-OE2 3.35Å; K150-E153 PolarHBondContact NZ-OE2 3.36Å; K150-E153 PolarHBondContact O-N 3.22Å; K150-L154 PolarHBondContact O-N 3.11Å; K150-L154 VanDerWaalsContact O-N 3.08Å; K150-N478 WeakPolarHBondContact CE-O 3.24Å; K150-N478 PolarHBondContact NZ-O 3.42Å; K150-N479 HydrophobicContact CD-CB 4.13Å; K150-N479 PolarHBondContact O-ND2 3.18Å; K150-F481 HydrophobicContact CB-CD2 3.75Å; K150-F481 HydrophobicContact CB-CE2 4.07Å
151	I	97.5	Very high	96	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-44.4	171.1	-64.3	160.5	0	0	0	110.1	I147 K148 E153 L154 I155 V255 L359 L366 F370 F481	I147-I151 HydrophobicContact CG2-CD1 3.8Å; I147-I151 HydrophobicContact CG2-CG1 4.46Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 2.93Å; K148-I151 PolarHBondContact O-N 3.32Å; I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 PolarHBondContact O-N 2.62Å; I151-L154 WeakPolarHBondContact O-CB 3.25Å; I151-L154 PolarHBondContact O-N 3.2Å; I151-L154 VanDerWaalsContact O-N 3.12Å; I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 3.16Å; I151-V255 HydrophobicContact CD1-CB 4.31Å; I151-V255 HydrophobicContact CD1-CG1 4.08Å; I151-V255 HydrophobicContact CG2-CB 4.35Å; I151-L359 HydrophobicContact CG2-CD2 3.89Å; I151-L366 HydrophobicContact CD1-CD2 3.45Å; I151-L366 VanDerWaalsContact CD1-CD2 3.45Å; I151-L366 HydrophobicContact CG1-CD2 3.92Å; I151-F370 HydrophobicContact CD1-CE2 3.91Å; I151-F481 HydrophobicContact CD1-CZ 4.5Å; I151-F481 HydrophobicContact CG1-CD1 4.25Å; I151-F481 HydrophobicContact CG1-CD2 4.27Å; I151-F481 HydrophobicContact CG1-CE1 4.24Å; I151-F481 HydrophobicContact CG1-CE2 4.25Å; I151-F481 HydrophobicContact CG1-CG 4.27Å; I151-F481 HydrophobicContact CG1-CZ 4.24Å
152	G	96.5	Very high	96.2	Very high	30 Å²	30	54.2 Å²	54.2	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-40.2	174.2	0	0	0	0	0	113.3	K148 K149 I155 K156	K148-G152 PolarHBondContact O-N 2.93Å; K149-G152 PolarHBondContact O-N 3.47Å; G152-I155 PolarHBondContact O-N 2.91Å; G152-K156 WeakPolarHBondContact O-CB 3.1Å; G152-K156 PolarHBondContact O-N 3.31Å
153	E	97.3	Very high	96.2	Very high	67 Å²	67	52 Å²	52	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-42.3	173	-73.6	169.9	-164.9	0	0	112	K149 K150 I151 K156 L157 N479	K149-E153 WeakPolarHBondContact CE-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CG 3.2Å; K149-E153 PolarHBondContact O-N 3.28Å; K150-E153 VanDerWaalsContact CD-OE2 3.25Å; K150-E153 WeakPolarHBondContact CD-OE2 3.49Å; K150-E153 IonicContact NZ-OE1 3.24Å; K150-E153 IonicContact NZ-OE2 3.35Å; K150-E153 PolarHBondContact NZ-OE2 3.36Å; K150-E153 PolarHBondContact O-N 3.22Å; I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 PolarHBondContact O-N 2.62Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-L157 WeakPolarHBondContact O-CB 3.4Å; E153-L157 PolarHBondContact O-N 3.02Å; E153-N479 WeakPolarHBondContact CB-ND2 3.47Å; E153-N479 PolarHBondContact OE2-ND2 3.16Å
154	L	98	Very high	96.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-49	174.5	171.3	66.6	0	0	0	111.5	K150 I151 K156 L157 L158 F358 M362 F481 I482	K150-L154 PolarHBondContact O-N 3.11Å; K150-L154 VanDerWaalsContact O-N 3.08Å; I151-L154 WeakPolarHBondContact O-CB 3.25Å; I151-L154 PolarHBondContact O-N 3.2Å; I151-L154 VanDerWaalsContact O-N 3.12Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 3.1Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.17Å; L154-L158 HydrophobicContact CD1-CD1 3.51Å; L154-L158 HydrophobicContact CD1-CG 3.91Å; L154-L158 HydrophobicContact CG-CD1 3.99Å; L154-L158 WeakPolarHBondContact O-CG 3.18Å; L154-L158 PolarHBondContact O-N 2.95Å; L154-F358 HydrophobicContact CD2-CE1 4Å; L154-F358 HydrophobicContact CD2-CZ 4.15Å; L154-F358 HydrophobicContact CG-CE1 4.49Å; L154-M362 HydrophobicContact CD2-CE 4.08Å; L154-M362 HydrophobicContact CD2-SD 3.8Å; L154-F481 HydrophobicContact CB-CB 4.41Å; L154-F481 HydrophobicContact CD2-CB 3.9Å; L154-I482 HydrophobicContact CB-CG1 4.33Å; L154-I482 HydrophobicContact CD1-CB 4.47Å; L154-I482 HydrophobicContact CD1-CG1 3.89Å
155	I	97.6	Very high	96.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-41.7	179.9	-68	171.2	0	0	0	110.2	I151 G152 L157 L158 F159 W162 V355 L359	I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 3.16Å; G152-I155 PolarHBondContact O-N 2.91Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.29Å; I155-L158 PolarHBondContact O-N 3.49Å; I155-F159 HydrophobicContact CG2-CD2 4.23Å; I155-F159 WeakPolarHBondContact O-CA 3.33Å; I155-F159 WeakPolarHBondContact O-CB 3.42Å; I155-F159 PolarHBondContact O-N 2.72Å; I155-W162 HydrophobicContact CD1-CE3 3.88Å; I155-W162 HydrophobicContact CD1-CZ3 4.39Å; I155-W162 HydrophobicContact CG2-CB 3.46Å; I155-W162 VanDerWaalsContact CG2-CB 3.46Å; I155-W162 HydrophobicContact CG2-CG 4.43Å; I155-V355 HydrophobicContact CD1-CG1 4.32Å; I155-V355 HydrophobicContact CG2-CG1 4.17Å; I155-L359 HydrophobicContact CD1-CD1 4.04Å; I155-L359 HydrophobicContact CD1-CD2 4.15Å; I155-L359 HydrophobicContact CD1-CG 4.48Å
156	K	95.7	Very high	96.1	Very high	135 Å²	135	40.2 Å²	40.2	59%	0.587	21%	0.206	S	C	*	.	H	α-helix	trans	-62.6	-39.5	175.9	-171.6	171.2	-177.2	170	0	111.9	G152 E153 L154 N160	G152-K156 WeakPolarHBondContact O-CB 3.1Å; G152-K156 PolarHBondContact O-N 3.31Å; E153-K156 PolarHBondContact O-N 3.01Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 3.1Å; K156-N160 WeakPolarHBondContact O-CA 3.38Å; K156-N160 PolarHBondContact O-N 3.23Å; K156-N160 VanDerWaalsContact O-N 3.09Å
157	L	96.1	Very high	95.8	Very high	88 Å²	88	39 Å²	39	46%	0.461	20%	0.2	S	C	.	.	H	α-helix	trans	-64.4	-45.2	175.9	177.5	66.5	0	0	0	112.4	E153 L154 I155 I482	E153-L157 WeakPolarHBondContact O-CB 3.4Å; E153-L157 PolarHBondContact O-N 3.02Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.17Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.29Å; L157-I482 HydrophobicContact CD2-CD1 3.78Å; L157-I482 HydrophobicContact CD2-CG1 4.01Å; L157-I482 HydrophobicContact CD2-CG2 4.03Å
158	L	96.5	Very high	95.4	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-86.3	-33.9	-171.8	-64.7	-179.5	0	0	0	113.9	L154 I155 P192 F358 Y485	L154-L158 HydrophobicContact CD1-CD1 3.51Å; L154-L158 HydrophobicContact CD1-CG 3.91Å; L154-L158 HydrophobicContact CG-CD1 3.99Å; L154-L158 WeakPolarHBondContact O-CG 3.18Å; L154-L158 PolarHBondContact O-N 2.95Å; I155-L158 PolarHBondContact O-N 3.49Å; L158-P192 HydrophobicContact CB-CB 4.16Å; L158-P192 HydrophobicContact CB-CG 4.07Å; L158-P192 HydrophobicContact CD1-CB 4.24Å; L158-P192 HydrophobicContact CD2-CB 4.47Å; L158-F358 HydrophobicContact CD1-CE1 4.1Å; L158-F358 HydrophobicContact CD1-CE2 3.81Å; L158-F358 HydrophobicContact CD1-CZ 3.38Å; L158-Y485 HydrophobicContact CD1-CD1 4.17Å; L158-Y485 HydrophobicContact CD1-CD2 3.96Å; L158-Y485 HydrophobicContact CD1-CE1 4.27Å; L158-Y485 HydrophobicContact CD1-CE2 4.08Å; L158-Y485 HydrophobicContact CD1-CG 4Å; L158-Y485 HydrophobicContact CD2-CD1 4.01Å; L158-Y485 HydrophobicContact CD2-CE1 3.59Å
159	F	96.4	Very high	95	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-123.2	6.7	-170.1	-57.3	-70.2	0	0	0	113.6	I155 G161 L189 P192 V354 V355 F358	I155-F159 HydrophobicContact CG2-CD2 4.23Å; I155-F159 WeakPolarHBondContact O-CA 3.33Å; I155-F159 WeakPolarHBondContact O-CB 3.42Å; I155-F159 PolarHBondContact O-N 2.72Å; F159-G161 PolarHBondContact O-N 3.04Å; F159-L189 HydrophobicContact CD1-CD1 3.87Å; F159-L189 HydrophobicContact CE1-CD1 4.41Å; F159-L189 WeakPolarHBondContact CE1-O 3.48Å; F159-P192 HydrophobicContact CD1-CG 4.23Å; F159-P192 HydrophobicContact CE1-CB 3.83Å; F159-P192 HydrophobicContact CE1-CG 3.73Å; F159-P192 HydrophobicContact CE2-CB 4.5Å; F159-P192 HydrophobicContact CZ-CB 3.71Å; F159-P192 HydrophobicContact CZ-CG 4.11Å; F159-V354 HydrophobicContact CE1-CG1 3.91Å; F159-V355 HydrophobicContact CB-CG2 4.09Å; F159-V355 HydrophobicContact CD1-CG2 4.2Å; F159-V355 HydrophobicContact CD2-CG2 3.91Å; F159-V355 HydrophobicContact CE2-CG2 4.36Å; F159-V355 HydrophobicContact CG-CG2 3.8Å; F159-F358 HydrophobicContact CE2-CB 4.11Å; F159-F358 AromaticContact CE2-CD1 3.71Å; F159-F358 HydrophobicContact CE2-CD1 3.71Å; F159-F358 HydrophobicContact CE2-CD2 4.15Å; F159-F358 HydrophobicContact CE2-CE1 4.16Å; F159-F358 AromaticContact CE2-CG 3.71Å; F159-F358 HydrophobicContact CE2-CG 3.71Å; F159-F358 HydrophobicContact CZ-CB 3.81Å; F159-F358 HydrophobicContact CZ-CD1 4.18Å; F159-F358 AromaticContact CZ-CD2 3.87Å; F159-F358 HydrophobicContact CZ-CD2 3.87Å; F159-F358 AromaticContact CZ-CG 3.68Å; F159-F358 HydrophobicContact CZ-CG 3.68Å
160	N	94.4	Very high	94.7	Very high	101 Å²	101	43.5 Å²	43.5	54%	0.54	24%	0.241	S	C	.	.	S	Bend	trans	55.6	29.2	-174.7	-67.2	-39.9	0	0	0	113.3	K156 V178	K156-N160 WeakPolarHBondContact O-CA 3.38Å; K156-N160 PolarHBondContact O-N 3.23Å; K156-N160 VanDerWaalsContact O-N 3.09Å; N160-V178 HydrophobicContact CB-CG2 3.4Å; N160-V178 VanDerWaalsContact CB-CG2 3.4Å
161	G	94.2	Very high	94.3	Very high	11 Å²	11	42.4 Å²	42.4	11%	0.113	24%	0.236	C	C	.	.			trans	112	174.4	178	0	0	0	0	0	113.2	F159 H351	F159-G161 PolarHBondContact O-N 3.04Å; G161-H351 PolarHBondContact O-CE1 3.13Å; G161-H351 VanDerWaalsContact O-CE1 3.25Å; G161-H351 PolarHBondContact O-NE2 2.84Å
162	W	96.4	Very high	94	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.259	C	S	.	.			trans	-142.4	117	-178.8	173.5	41.9	0	0	0	111	I155 M164 S165 S166 L252 A257 N352 V355 I356 L359	I155-W162 HydrophobicContact CD1-CE3 3.88Å; I155-W162 HydrophobicContact CD1-CZ3 4.39Å; I155-W162 HydrophobicContact CG2-CB 3.46Å; I155-W162 VanDerWaalsContact CG2-CB 3.46Å; I155-W162 HydrophobicContact CG2-CG 4.43Å; W162-M164 VanDerWaalsContact C-N 3.26Å; W162-M164 HydrophobicContact CD2-CB 4.15Å; W162-M164 HydrophobicContact CH2-CB 4.34Å; W162-M164 HydrophobicContact CZ2-CB 3.64Å; W162-M164 HydrophobicContact CZ2-CG 4.23Å; W162-M164 HydrophobicContact CZ2-SD 3.71Å; W162-M164 PolarHBondContact O-N 3.47Å; W162-S165 VanDerWaalsContact CE3-CB 3.43Å; W162-S165 PolarHBondContact O-N 3.37Å; W162-S165 PolarHBondContact O-OG 3.3Å; W162-S166 PolarHBondContact O-N 3.48Å; W162-S166 VanDerWaalsContact O-N 3.1Å; W162-S166 PolarHBondContact O-OG 3.32Å; W162-L252 HydrophobicContact CH2-CB 4.06Å; W162-L252 HydrophobicContact CH2-CD2 4.06Å; W162-L252 HydrophobicContact CZ2-CB 4.49Å; W162-L252 HydrophobicContact CZ2-CD1 4.43Å; W162-L252 HydrophobicContact CZ2-CD2 4.19Å; W162-A257 HydrophobicContact CH2-CB 3.72Å; W162-A257 HydrophobicContact CZ2-CB 4.32Å; W162-A257 HydrophobicContact CZ3-CB 4.26Å; W162-N352 PolarHBondContact NE1-OD1 3.06Å; W162-V355 HydrophobicContact CB-CG1 4.13Å; W162-V355 HydrophobicContact CD2-CG1 3.81Å; W162-V355 HydrophobicContact CE3-CG1 4.47Å; W162-V355 HydrophobicContact CG-CB 4.27Å; W162-V355 HydrophobicContact CG-CG1 3.65Å; W162-V355 HydrophobicContact CG-CG2 4.48Å; W162-I356 HydrophobicContact CZ2-CG1 4.37Å; W162-L359 HydrophobicContact CH2-CD1 4.13Å; W162-L359 HydrophobicContact CZ3-CD1 4.2Å
163	L	95.8	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-53.6	-41.9	-173	-75.1	178.9	0	0	0	112.9	S165 S166 Q171 V174 K175 L179 N261 M264 K348	L163-S165 VanDerWaalsContact C-N 3.25Å; L163-S165 PolarHBondContact O-N 3.03Å; L163-S166 PolarHBondContact O-N 2.94Å; L163-S166 VanDerWaalsContact O-N 3.12Å; L163-Q171 HydrophobicContact CD2-CB 4.16Å; L163-Q171 HydrophobicContact CD2-CG 3.99Å; L163-V174 HydrophobicContact CD2-CB 3.93Å; L163-V174 HydrophobicContact CD2-CG1 3.76Å; L163-V174 HydrophobicContact CG-CG1 3.95Å; L163-K175 HydrophobicContact CD2-CG 4.22Å; L163-L179 HydrophobicContact CD1-CD1 3.39Å; L163-L179 HydrophobicContact CD2-CD1 4.13Å; L163-L179 HydrophobicContact CG-CD1 3.91Å; L163-N261 PolarHBondContact O-ND2 3.3Å; L163-N261 VanDerWaalsContact O-ND2 3.17Å; L163-M264 HydrophobicContact CB-SD 3.96Å; L163-K348 HydrophobicContact CD1-CB 3.83Å; L163-K348 HydrophobicContact CD1-CD 4.22Å; L163-K348 HydrophobicContact CD1-CG 3.69Å
164	M	95	Very high	93.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-66.7	-27.1	-178.9	-64.3	171.7	164.7	0	0	112.9	W162 L252 A257 L258 N261 M264 M265 V268 N352 I356	W162-M164 VanDerWaalsContact C-N 3.26Å; W162-M164 HydrophobicContact CD2-CB 4.15Å; W162-M164 HydrophobicContact CH2-CB 4.34Å; W162-M164 HydrophobicContact CZ2-CB 3.64Å; W162-M164 HydrophobicContact CZ2-CG 4.23Å; W162-M164 HydrophobicContact CZ2-SD 3.71Å; W162-M164 PolarHBondContact O-N 3.47Å; M164-L252 HydrophobicContact SD-CD1 4.38Å; M164-A257 HydrophobicContact CB-CB 4.25Å; M164-L258 PolarHBondContact O-N 3.19Å; M164-N261 HydrophobicContact CB-CB 4.47Å; M164-N261 PolarHBondContact O-ND2 3.27Å; M164-M264 HydrophobicContact CE-CB 3.83Å; M164-M264 HydrophobicContact CG-CB 4.38Å; M164-M264 HydrophobicContact CG-SD 4.2Å; M164-M265 HydrophobicContact CE-CG 3.97Å; M164-M265 HydrophobicContact CE-SD 3.29Å; M164-M265 WeakPolarHBondContact CE-SD 2.94Å; M164-M265 HydrophobicContact SD-SD 4.02Å; M164-V268 HydrophobicContact CE-CG2 3.98Å; M164-N352 HydrophobicContact CE-CB 3.81Å; M164-N352 HydrophobicContact SD-CB 4.22Å; M164-I356 HydrophobicContact CE-CD1 4.01Å; M164-I356 HydrophobicContact SD-CD1 3.88Å; M164-I356 HydrophobicContact SD-CG1 4.42Å
165	S	94.5	Very high	93.2	Very high	31 Å²	31	49.3 Å²	49.3	22%	0.217	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-88.7	-11.3	173.8	65	0	0	0	0	114.5	W162 L163 G256	W162-S165 VanDerWaalsContact CE3-CB 3.43Å; W162-S165 PolarHBondContact O-N 3.37Å; W162-S165 PolarHBondContact O-OG 3.3Å; L163-S165 VanDerWaalsContact C-N 3.25Å; L163-S165 PolarHBondContact O-N 3.03Å; S165-G256 VanDerWaalsContact CA-O 3.3Å; S165-G256 WeakPolarHBondContact CA-O 3.36Å; S165-G256 WeakPolarHBondContact CB-O 3.22Å
166	S	92.5	Very high	93	Very high	6 Å²	6	55 Å²	55	4%	0.042	29%	0.29	C	S	.	.			trans	-88.2	134.4	-173.2	-68	0	0	0	0	111.7	W162 L163 E170 Q171 N261	W162-S166 PolarHBondContact O-N 3.48Å; W162-S166 VanDerWaalsContact O-N 3.1Å; W162-S166 PolarHBondContact O-OG 3.32Å; L163-S166 PolarHBondContact O-N 2.94Å; L163-S166 VanDerWaalsContact O-N 3.12Å; S166-E170 WeakPolarHBondContact CA-OE2 3.33Å; S166-Q171 PolarHBondContact O-NE2 3.33Å; S166-N261 PolarHBondContact O-ND2 3.01Å
167	N	91	Very high	92.7	Very high	72 Å²	72	52.6 Å²	52.6	39%	0.385	28%	0.284	S	S	.	.			trans	-69.7	171.5	164.6	65.7	54.4	0	0	0	111	A169 E170 Q171 L258	N167-A169 PolarHBondContact O-N 2.9Å; N167-A169 VanDerWaalsContact O-N 3.12Å; N167-A169 WeakPolarHBondContact OD1-CB 3.25Å; N167-A169 PolarHBondContact OD1-N 2.69Å; N167-E170 PolarHBondContact N-OE2 3.49Å; N167-E170 PolarHBondContact ND2-OE2 3.02Å; N167-E170 PolarHBondContact O-N 3.07Å; N167-E170 VanDerWaalsContact O-N 3.09Å; N167-E170 PolarHBondContact OD1-N 3.1Å; N167-Q171 WeakPolarHBondContact O-CG 3.3Å; N167-Q171 PolarHBondContact O-N 3.06Å; N167-L258 HydrophobicContact CB-CD1 4.48Å
168	D	87.2	Confident	92.4	Very high	129 Å²	129	49.2 Å²	49.2	69%	0.69	27%	0.267	S	S	*	.	H	α-helix	trans	-53.4	-37.9	-176.2	-66.4	-21.8	0	0	0	113.8	I172	D168-I172 WeakPolarHBondContact O-CG1 3.04Å; D168-I172 PolarHBondContact O-N 3.33Å
169	A	88.4	Confident	92.4	Very high	71 Å²	71	47.8 Å²	47.8	59%	0.587	26%	0.259	S	S	*	.	H	α-helix	trans	-72.3	-42.6	179.3	0	0	0	0	0	112.1	N167 Q171 I172	N167-A169 PolarHBondContact O-N 2.9Å; N167-A169 VanDerWaalsContact O-N 3.12Å; N167-A169 WeakPolarHBondContact OD1-CB 3.25Å; N167-A169 PolarHBondContact OD1-N 2.69Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-I172 WeakPolarHBondContact O-CB 3.45Å; A169-I172 PolarHBondContact O-N 3.35Å
170	E	89.9	Confident	92.3	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-32.5	176.5	-70.2	170	164.4	0	0	112.1	S166 N167 I172 D173 V174	S166-E170 WeakPolarHBondContact CA-OE2 3.33Å; N167-E170 PolarHBondContact N-OE2 3.49Å; N167-E170 PolarHBondContact ND2-OE2 3.02Å; N167-E170 PolarHBondContact O-N 3.07Å; N167-E170 VanDerWaalsContact O-N 3.09Å; N167-E170 PolarHBondContact OD1-N 3.1Å; E170-I172 PolarHBondContact O-N 2.97Å; E170-D173 WeakPolarHBondContact O-CB 3.34Å; E170-D173 PolarHBondContact O-N 3.14Å; E170-D173 VanDerWaalsContact O-N 3.12Å; E170-V174 PolarHBondContact O-N 2.9Å
171	Q	89.9	Confident	92.1	Very high	13 Å²	13	48.8 Å²	48.8	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-32.7	175.3	-75.8	-174.3	31.5	0	0	112.2	L163 S166 N167 A169 D173 K175 N261	L163-Q171 HydrophobicContact CD2-CB 4.16Å; L163-Q171 HydrophobicContact CD2-CG 3.99Å; S166-Q171 PolarHBondContact O-NE2 3.33Å; N167-Q171 WeakPolarHBondContact O-CG 3.3Å; N167-Q171 PolarHBondContact O-N 3.06Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-D173 VanDerWaalsContact C-N 3.3Å; Q171-K175 VanDerWaalsContact O-CB 3.27Å; Q171-K175 WeakPolarHBondContact O-CB 3.37Å; Q171-K175 WeakPolarHBondContact O-CD 3.23Å; Q171-K175 WeakPolarHBondContact O-CG 3.24Å; Q171-K175 PolarHBondContact O-N 3.34Å; Q171-N261 PolarHBondContact NE2-ND2 3.45Å; Q171-N261 PolarHBondContact NE2-OD1 3Å
172	I	90.5	Very high	91.9	Very high	93 Å²	93	56.9 Å²	56.9	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-43.7	174.8	-65.2	166.1	0	0	0	109.7	D168 A169 E170 K175 Q176	D168-I172 WeakPolarHBondContact O-CG1 3.04Å; D168-I172 PolarHBondContact O-N 3.33Å; A169-I172 WeakPolarHBondContact O-CB 3.45Å; A169-I172 PolarHBondContact O-N 3.35Å; E170-I172 PolarHBondContact O-N 2.97Å; I172-K175 PolarHBondContact O-N 2.88Å; I172-Q176 HydrophobicContact CG2-CG 4.41Å; I172-Q176 WeakPolarHBondContact O-CB 3.31Å; I172-Q176 VanDerWaalsContact O-CG 3.3Å; I172-Q176 WeakPolarHBondContact O-CG 3.43Å; I172-Q176 PolarHBondContact O-N 3.48Å
173	D	90.2	Very high	91.7	Very high	73 Å²	73	63.5 Å²	63.5	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-48.3	178.9	-170.1	67.7	0	0	0	111.7	E170 Q171 K175 Q176 N177	E170-D173 WeakPolarHBondContact O-CB 3.34Å; E170-D173 PolarHBondContact O-N 3.14Å; E170-D173 VanDerWaalsContact O-N 3.12Å; Q171-D173 VanDerWaalsContact C-N 3.3Å; D173-K175 VanDerWaalsContact C-N 3.35Å; D173-K175 PolarHBondContact O-N 3.35Å; D173-Q176 PolarHBondContact O-N 3.34Å; D173-N177 WeakPolarHBondContact O-CB 3.36Å; D173-N177 PolarHBondContact O-N 2.74Å; D173-N177 PolarHBondContact O-ND2 3.46Å; D173-N177 PolarHBondContact OD1-ND2 3.3Å; D173-N177 PolarHBondContact OD2-ND2 3.39Å
174	V	92.7	Very high	91.7	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-43.7	176.2	177.8	0	0	0	0	111	L163 E170 Q176 V178 L179	L163-V174 HydrophobicContact CD2-CB 3.93Å; L163-V174 HydrophobicContact CD2-CG1 3.76Å; L163-V174 HydrophobicContact CG-CG1 3.95Å; E170-V174 PolarHBondContact O-N 2.9Å; V174-Q176 VanDerWaalsContact C-N 3.35Å; V174-Q176 PolarHBondContact O-N 3.01Å; V174-V178 HydrophobicContact CG1-CB 4.34Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CA 3.47Å; V174-V178 VanDerWaalsContact O-CB 3.24Å; V174-V178 WeakPolarHBondContact O-CB 3.35Å; V174-V178 PolarHBondContact O-N 3.27Å; V174-L179 HydrophobicContact CG1-CD1 4.23Å; V174-L179 HydrophobicContact CG1-CG 4.35Å; V174-L179 PolarHBondContact O-N 2.78Å
175	K	93.4	Very high	91.7	Very high	74 Å²	74	68.5 Å²	68.5	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-41.3	178.6	-76	169.2	-172.8	166.5	0	112	L163 Q171 I172 D173 L179 S180	L163-K175 HydrophobicContact CD2-CG 4.22Å; Q171-K175 VanDerWaalsContact O-CB 3.27Å; Q171-K175 WeakPolarHBondContact O-CB 3.37Å; Q171-K175 WeakPolarHBondContact O-CD 3.23Å; Q171-K175 WeakPolarHBondContact O-CG 3.24Å; Q171-K175 PolarHBondContact O-N 3.34Å; I172-K175 PolarHBondContact O-N 2.88Å; D173-K175 VanDerWaalsContact C-N 3.35Å; D173-K175 PolarHBondContact O-N 3.35Å; K175-L179 HydrophobicContact CG-CD1 4.29Å; K175-L179 CarbonylContact O-C 3.6Å; K175-L179 PolarHBondContact O-N 3.03Å; K175-S180 PolarHBondContact O-N 3.29Å
176	Q	91.5	Very high	91.7	Very high	121 Å²	121	67.1 Å²	67.1	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-74.4	-46.4	-178.9	-72.8	176.8	-8.6	0	0	112.3	I172 D173 V174 S180	I172-Q176 HydrophobicContact CG2-CG 4.41Å; I172-Q176 WeakPolarHBondContact O-CB 3.31Å; I172-Q176 VanDerWaalsContact O-CG 3.3Å; I172-Q176 WeakPolarHBondContact O-CG 3.43Å; I172-Q176 PolarHBondContact O-N 3.48Å; D173-Q176 PolarHBondContact O-N 3.34Å; V174-Q176 VanDerWaalsContact C-N 3.35Å; V174-Q176 PolarHBondContact O-N 3.01Å; Q176-S180 WeakPolarHBondContact O-CB 3.26Å; Q176-S180 PolarHBondContact O-OG 3.21Å
177	N	89.8	Confident	91.8	Very high	86 Å²	86	67 Å²	67	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-87	-23.5	-170.5	-64.2	-33.1	0	0	0	114	D173	D173-N177 WeakPolarHBondContact O-CB 3.36Å; D173-N177 PolarHBondContact O-N 2.74Å; D173-N177 PolarHBondContact O-ND2 3.46Å; D173-N177 PolarHBondContact OD1-ND2 3.3Å; D173-N177 PolarHBondContact OD2-ND2 3.39Å
178	V	91.3	Very high	92	Very high	17 Å²	17	66.3 Å²	66.3	10%	0.103	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-46.8	-174.5	-168.1	0	0	0	0	111.5	N160 V174 F184	N160-V178 HydrophobicContact CB-CG2 3.4Å; N160-V178 VanDerWaalsContact CB-CG2 3.4Å; V174-V178 HydrophobicContact CG1-CB 4.34Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CA 3.47Å; V174-V178 VanDerWaalsContact O-CB 3.24Å; V174-V178 WeakPolarHBondContact O-CB 3.35Å; V174-V178 PolarHBondContact O-N 3.27Å; V178-F184 VanDerWaalsContact O-CA 3.25Å; V178-F184 WeakPolarHBondContact O-CA 3.32Å; V178-F184 WeakPolarHBondContact O-CD2 3.48Å; V178-F184 PolarHBondContact O-N 3.38Å
179	L	95	Very high	92.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-100	-0.1	-167.4	-48	177.4	0	0	0	114.5	L163 V174 K175 F184 R347 K348 H351	L163-L179 HydrophobicContact CD1-CD1 3.39Å; L163-L179 HydrophobicContact CD2-CD1 4.13Å; L163-L179 HydrophobicContact CG-CD1 3.91Å; V174-L179 HydrophobicContact CG1-CD1 4.23Å; V174-L179 HydrophobicContact CG1-CG 4.35Å; V174-L179 PolarHBondContact O-N 2.78Å; K175-L179 HydrophobicContact CG-CD1 4.29Å; K175-L179 CarbonylContact O-C 3.6Å; K175-L179 PolarHBondContact O-N 3.03Å; L179-F184 HydrophobicContact CD2-CD2 3.8Å; L179-F184 HydrophobicContact CD2-CE2 3.72Å; L179-R347 WeakPolarHBondContact O-CD 3.45Å; L179-R347 PolarHBondContact O-NE 3.18Å; L179-K348 HydrophobicContact CD1-CG 3.91Å; L179-H351 HydrophobicContact CD2-CB 3.65Å
180	S	94.1	Very high	92.7	Very high	37 Å²	37	57.4 Å²	57.4	26%	0.259	30%	0.301	S	S	.	.	S	Bend	trans	-65.3	143.5	171.1	61.4	0	0	0	0	109.2	K175 Q176 E182 K183 F184	K175-S180 PolarHBondContact O-N 3.29Å; Q176-S180 WeakPolarHBondContact O-CB 3.26Å; Q176-S180 PolarHBondContact O-OG 3.21Å; S180-E182 PolarHBondContact O-N 2.88Å; S180-K183 PolarHBondContact O-N 2.86Å; S180-K183 WeakPolarHBondContact OG-CB 3.41Å; S180-K183 VanDerWaalsContact OG-CG 3.22Å; S180-K183 WeakPolarHBondContact OG-CG 3.48Å; S180-F184 WeakPolarHBondContact O-CB 3.07Å; S180-F184 PolarHBondContact O-N 2.98Å
181	S	90.5	Very high	92.9	Very high	90 Å²	90	53.5 Å²	53.5	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.9	-175.4	50.9	0	0	0	0	113.5
182	E	91	Very high	93.2	Very high	180 Å²	180	53.3 Å²	53.3	84%	0.841	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.6	179.3	-61.5	178.6	-173.9	0	0	113.6	S180	S180-E182 PolarHBondContact O-N 2.88Å
183	K	92.1	Very high	93.4	Very high	141 Å²	141	48.9 Å²	48.9	61%	0.613	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-22.3	-176.9	-61.6	-62.9	-175.8	-177.2	0	113.3	S180 N185	S180-K183 PolarHBondContact O-N 2.86Å; S180-K183 WeakPolarHBondContact OG-CB 3.41Å; S180-K183 VanDerWaalsContact OG-CG 3.22Å; S180-K183 WeakPolarHBondContact OG-CG 3.48Å; K183-N185 PolarHBondContact O-N 3.46Å
184	F	95.1	Very high	93.6	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.096	24%	0.243	C	C	.	.			trans	-67.1	109.2	-176.6	-168.4	-96.5	0	0	0	111.3	V178 L179 S180 V186 L189 V341 R347 I350	V178-F184 VanDerWaalsContact O-CA 3.25Å; V178-F184 WeakPolarHBondContact O-CA 3.32Å; V178-F184 WeakPolarHBondContact O-CD2 3.48Å; V178-F184 PolarHBondContact O-N 3.38Å; L179-F184 HydrophobicContact CD2-CD2 3.8Å; L179-F184 HydrophobicContact CD2-CE2 3.72Å; S180-F184 WeakPolarHBondContact O-CB 3.07Å; S180-F184 PolarHBondContact O-N 2.98Å; F184-V186 HydrophobicContact CD1-CG2 4.19Å; F184-V186 HydrophobicContact CE1-CG2 3.57Å; F184-V186 HydrophobicContact CZ-CG2 4.46Å; F184-L189 HydrophobicContact CE2-CD2 4.02Å; F184-L189 HydrophobicContact CZ-CD2 3.81Å; F184-V341 HydrophobicContact CD1-CG1 4.07Å; F184-V341 HydrophobicContact CD1-CG2 4.43Å; F184-V341 HydrophobicContact CE1-CG1 4.41Å; F184-V341 HydrophobicContact CE1-CG2 3.95Å; F184-R347 HydrophobicContact CB-CG 4.47Å; F184-R347 HydrophobicContact CD1-CG 3.81Å; F184-R347 HydrophobicContact CD2-CB 3.95Å; F184-R347 HydrophobicContact CD2-CG 4.05Å; F184-R347 HydrophobicContact CE1-CB 4.43Å; F184-R347 HydrophobicContact CE1-CG 3.97Å; F184-R347 HydrophobicContact CE2-CB 3.85Å; F184-R347 HydrophobicContact CE2-CG 4.19Å; F184-R347 HydrophobicContact CG-CB 4.27Å; F184-R347 VanDerWaalsContact CG-CD 3.43Å; F184-R347 HydrophobicContact CG-CG 3.84Å; F184-R347 HydrophobicContact CZ-CB 4.1Å; F184-R347 HydrophobicContact CZ-CG 4.15Å; F184-I350 HydrophobicContact CZ-CB 4.11Å; F184-I350 HydrophobicContact CZ-CG2 3.97Å
185	N	94.8	Very high	93.5	Very high	82 Å²	82	46.8 Å²	46.8	44%	0.439	25%	0.248	S	C	.	.			trans	-121.4	108.6	-179.2	-176.9	-37.9	0	0	0	109.2	K183 T187 A188 L189	K183-N185 PolarHBondContact O-N 3.46Å; N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 2.92Å; N185-T187 WeakPolarHBondContact OD1-CA 3.44Å; N185-T187 WeakPolarHBondContact OD1-CB 3.38Å; N185-T187 PolarHBondContact OD1-N 3.3Å; N185-T187 PolarHBondContact OD1-OG1 2.98Å; N185-A188 HydrophobicContact CB-CB 3.97Å; N185-A188 PolarHBondContact O-N 3.37Å; N185-A188 PolarHBondContact OD1-N 3.32Å; N185-L189 WeakPolarHBondContact O-CB 3.49Å; N185-L189 PolarHBondContact O-N 2.95Å
186	V	94.5	Very high	93.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-41.2	-178.9	174.3	0	0	0	0	111.1	F184 A188 L189 L190 I301 I302 V341	F184-V186 HydrophobicContact CD1-CG2 4.19Å; F184-V186 HydrophobicContact CE1-CG2 3.57Å; F184-V186 HydrophobicContact CZ-CG2 4.46Å; V186-A188 PolarHBondContact O-N 2.71Å; V186-L189 PolarHBondContact O-N 3Å; V186-L190 HydrophobicContact CG1-CD1 3.6Å; V186-L190 HydrophobicContact CG1-CG 4.09Å; V186-L190 VanDerWaalsContact O-CG 3.26Å; V186-L190 WeakPolarHBondContact O-CG 3.34Å; V186-L190 PolarHBondContact O-N 3.35Å; V186-I301 HydrophobicContact CB-CG2 3.95Å; V186-I301 HydrophobicContact CG1-CG2 4.42Å; V186-I301 HydrophobicContact CG2-CG2 3.61Å; V186-I302 HydrophobicContact CG1-CG1 4.18Å; V186-V341 HydrophobicContact CG2-CG2 3.72Å
187	T	95	Very high	93.5	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-48.6	177.3	-41.3	0	0	0	0	111.7	N185 L189 L190 S191 D303 V306 L307	N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 2.92Å; N185-T187 WeakPolarHBondContact OD1-CA 3.44Å; N185-T187 WeakPolarHBondContact OD1-CB 3.38Å; N185-T187 PolarHBondContact OD1-N 3.3Å; N185-T187 PolarHBondContact OD1-OG1 2.98Å; T187-L189 VanDerWaalsContact C-N 3.34Å; T187-L190 PolarHBondContact O-N 3.22Å; T187-S191 PolarHBondContact O-N 3.22Å; T187-S191 VanDerWaalsContact O-N 3.08Å; T187-S191 PolarHBondContact O-OG 2.98Å; T187-D303 HydrophobicContact CG2-CB 4.21Å; T187-D303 WeakPolarHBondContact CG2-O 3.45Å; T187-D303 PolarHBondContact OG1-N 3.22Å; T187-V306 HydrophobicContact CG2-CG1 4.47Å; T187-L307 HydrophobicContact CG2-CB 3.86Å; T187-L307 HydrophobicContact CG2-CD1 4.16Å; T187-L307 HydrophobicContact CG2-CG 4.44Å
188	A	94.9	Very high	93.5	Very high	58 Å²	58	37 Å²	37	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-65.2	-39.5	178.6	0	0	0	0	0	111.5	N185 V186 P192	N185-A188 HydrophobicContact CB-CB 3.97Å; N185-A188 PolarHBondContact O-N 3.37Å; N185-A188 PolarHBondContact OD1-N 3.32Å; V186-A188 PolarHBondContact O-N 2.71Å; A188-P192 VanDerWaalsContact O-CD 3.31Å; A188-P192 WeakPolarHBondContact O-CD 3.31Å
189	L	95.9	Very high	93.6	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-38.2	177.8	178.7	61.2	0	0	0	112.6	F159 F184 N185 V186 T187 P192 I350 V354	F159-L189 HydrophobicContact CD1-CD1 3.87Å; F159-L189 HydrophobicContact CE1-CD1 4.41Å; F159-L189 WeakPolarHBondContact CE1-O 3.48Å; F184-L189 HydrophobicContact CE2-CD2 4.02Å; F184-L189 HydrophobicContact CZ-CD2 3.81Å; N185-L189 WeakPolarHBondContact O-CB 3.49Å; N185-L189 PolarHBondContact O-N 2.95Å; V186-L189 PolarHBondContact O-N 3Å; T187-L189 VanDerWaalsContact C-N 3.34Å; L189-P192 WeakPolarHBondContact O-CD 3.44Å; L189-I350 HydrophobicContact CD2-CG2 3.77Å; L189-V354 HydrophobicContact CD1-CB 4.3Å; L189-V354 HydrophobicContact CD1-CG1 4.11Å; L189-V354 HydrophobicContact CD2-CB 4.47Å; L189-V354 HydrophobicContact CD2-CG2 4.2Å; L189-V354 HydrophobicContact CG-CB 4.16Å; L189-V354 HydrophobicContact CG-CG1 4.04Å; L189-V354 HydrophobicContact CG-CG2 4.17Å; L189-V354 WeakPolarHBondContact O-CG1 3.37Å
190	L	95.3	Very high	93.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-83.6	-22.4	-178.4	-64.8	174.4	0	0	0	113.9	V186 T187 S193 L194 T200 L202 F203 V354	V186-L190 HydrophobicContact CG1-CD1 3.6Å; V186-L190 HydrophobicContact CG1-CG 4.09Å; V186-L190 VanDerWaalsContact O-CG 3.26Å; V186-L190 WeakPolarHBondContact O-CG 3.34Å; V186-L190 PolarHBondContact O-N 3.35Å; T187-L190 PolarHBondContact O-N 3.22Å; L190-S193 PolarHBondContact O-N 3.06Å; L190-S193 VanDerWaalsContact O-N 3.14Å; L190-L194 PolarHBondContact O-N 3.37Å; L190-L194 VanDerWaalsContact O-N 3.1Å; L190-T200 HydrophobicContact CB-CG2 4.2Å; L190-T200 HydrophobicContact CD2-CG2 4.15Å; L190-L202 HydrophobicContact CD1-CD1 3.62Å; L190-L202 HydrophobicContact CD2-CD1 3.66Å; L190-L202 HydrophobicContact CD2-CG 4.43Å; L190-L202 HydrophobicContact CG-CD1 4.22Å; L190-F203 HydrophobicContact CD1-CE1 3.79Å; L190-F203 HydrophobicContact CD1-CZ 4.38Å; L190-V354 HydrophobicContact CD2-CG1 4.33Å; L190-V354 HydrophobicContact CD2-CG2 3.59Å
191	S	94.4	Very high	93.5	Very high	15 Å²	15	37.2 Å²	37.2	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-53.3	-44.8	-175.5	-68.5	0	0	0	0	113	T187 S193 L194 F195	T187-S191 PolarHBondContact O-N 3.22Å; T187-S191 VanDerWaalsContact O-N 3.08Å; T187-S191 PolarHBondContact O-OG 2.98Å; S191-S193 PolarHBondContact O-N 2.96Å; S191-L194 PolarHBondContact O-N 3.34Å; S191-F195 WeakPolarHBondContact O-CB 3.38Å; S191-F195 WeakPolarHBondContact O-CD2 3.16Å; S191-F195 WeakPolarHBondContact O-CG 3.31Å; S191-F195 PolarHBondContact O-N 3.14Å
192	P	95.6	Very high	93.6	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-56.8	-45	177	-26.9	35.7	0	0	0	113.9	L158 F159 A188 L189 F195 Q196 F358 Y485	L158-P192 HydrophobicContact CB-CB 4.16Å; L158-P192 HydrophobicContact CB-CG 4.07Å; L158-P192 HydrophobicContact CD1-CB 4.24Å; L158-P192 HydrophobicContact CD2-CB 4.47Å; F159-P192 HydrophobicContact CD1-CG 4.23Å; F159-P192 HydrophobicContact CE1-CB 3.83Å; F159-P192 HydrophobicContact CE1-CG 3.73Å; F159-P192 HydrophobicContact CE2-CB 4.5Å; F159-P192 HydrophobicContact CZ-CB 3.71Å; F159-P192 HydrophobicContact CZ-CG 4.11Å; A188-P192 VanDerWaalsContact O-CD 3.31Å; A188-P192 WeakPolarHBondContact O-CD 3.31Å; L189-P192 WeakPolarHBondContact O-CD 3.44Å; P192-F195 PolarHBondContact O-N 3.24Å; P192-Q196 WeakPolarHBondContact O-CB 3.43Å; P192-Q196 PolarHBondContact O-N 2.98Å; P192-F358 HydrophobicContact CB-CE2 4.47Å; P192-Y485 WeakPolarHBondContact CA-OH 3.47Å; P192-Y485 HydrophobicContact CB-CE2 4.5Å; P192-Y485 WeakPolarHBondContact O-CE2 3.41Å
193	S	95.3	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.7	-38.3	-179.9	-56.1	0	0	0	0	112.5	L190 S191 Q196 I197	L190-S193 PolarHBondContact O-N 3.06Å; L190-S193 VanDerWaalsContact O-N 3.14Å; S191-S193 PolarHBondContact O-N 2.96Å; S193-Q196 WeakPolarHBondContact O-CB 3.35Å; S193-Q196 PolarHBondContact O-N 2.77Å; S193-I197 PolarHBondContact O-N 2.95Å
194	L	92.8	Very high	93.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-42.5	173.5	-71.6	171.6	0	0	0	111.8	L190 S191 Q196 G198 T200 F203 L205 L307	L190-L194 PolarHBondContact O-N 3.37Å; L190-L194 VanDerWaalsContact O-N 3.1Å; S191-L194 PolarHBondContact O-N 3.34Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 2.94Å; L194-G198 WeakPolarHBondContact O-CA 3.25Å; L194-G198 PolarHBondContact O-N 3.36Å; L194-T200 HydrophobicContact CD1-CG2 4.4Å; L194-T200 HydrophobicContact CD2-CG2 3.59Å; L194-T200 HydrophobicContact CG-CG2 3.53Å; L194-F203 HydrophobicContact CD1-CE2 3.95Å; L194-F203 HydrophobicContact CD1-CZ 3.89Å; L194-F203 HydrophobicContact CD2-CD2 4.41Å; L194-F203 HydrophobicContact CD2-CE2 3.89Å; L194-F203 HydrophobicContact CD2-CZ 4.43Å; L194-L205 HydrophobicContact CD2-CG 4.48Å; L194-L307 HydrophobicContact CD1-CD1 3.6Å; L194-L307 HydrophobicContact CD1-CD2 4.09Å; L194-L307 HydrophobicContact CD1-CG 4Å
195	F	92.5	Very high	93.4	Very high	30 Å²	30	18.1 Å²	18.1	13%	0.132	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-34.1	174.3	-73.9	-46.4	0	0	0	112.4	S191 P192 N310 V311 Y485 K489 T492	S191-F195 WeakPolarHBondContact O-CB 3.38Å; S191-F195 WeakPolarHBondContact O-CD2 3.16Å; S191-F195 WeakPolarHBondContact O-CG 3.31Å; S191-F195 PolarHBondContact O-N 3.14Å; P192-F195 PolarHBondContact O-N 3.24Å; F195-N310 VanDerWaalsContact CE1-O 3.26Å; F195-N310 WeakPolarHBondContact CE1-O 3.43Å; F195-N310 HydrophobicContact CZ-CB 3.93Å; F195-N310 WeakPolarHBondContact CZ-O 3.38Å; F195-V311 HydrophobicContact CE1-CG2 4.27Å; F195-Y485 VanDerWaalsContact CB-OH 3.31Å; F195-Y485 WeakPolarHBondContact CB-OH 3.48Å; F195-K489 HydrophobicContact CB-CB 4.43Å; F195-K489 HydrophobicContact CB-CD 4.18Å; F195-K489 HydrophobicContact CB-CG 3.97Å; F195-K489 HydrophobicContact CD1-CD 4.49Å; F195-K489 HydrophobicContact CD1-CG 4.34Å; F195-K489 HydrophobicContact CG-CD 4.26Å; F195-K489 HydrophobicContact CG-CG 4.32Å; F195-K489 VanDerWaalsContact O-CA 3.23Å; F195-K489 WeakPolarHBondContact O-CA 3.39Å; F195-T492 WeakPolarHBondContact O-CB 3.08Å; F195-T492 PolarHBondContact O-OG1 3.38Å
196	Q	93	Very high	92.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-51.7	-178.2	-166.1	-171.3	7.6	0	0	111.9	P192 S193 L194 F358 Y485 Q488 T492	P192-Q196 WeakPolarHBondContact O-CB 3.43Å; P192-Q196 PolarHBondContact O-N 2.98Å; S193-Q196 WeakPolarHBondContact O-CB 3.35Å; S193-Q196 PolarHBondContact O-N 2.77Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 2.94Å; Q196-F358 HydrophobicContact CB-CE2 4.32Å; Q196-F358 HydrophobicContact CG-CE2 4.26Å; Q196-F358 PolarHBondContact NE2-O 3.16Å; Q196-F358 PolarHBondContact OE1-O 2.98Å; Q196-Y485 HydrophobicContact CB-CE2 4.26Å; Q196-Q488 HydrophobicContact CG-CB 4.1Å; Q196-Q488 HydrophobicContact CG-CG 4.45Å; Q196-Q488 CarbonylContact O-C 3.49Å; Q196-Q488 WeakPolarHBondContact O-CB 3.44Å; Q196-T492 VanDerWaalsContact C-OG1 3.31Å; Q196-T492 PolarHBondContact O-OG1 3.08Å
197	I	91.4	Very high	92.3	Very high	68 Å²	68	20 Å²	20	35%	0.349	11%	0.111	S	C	.	.	H	α-helix	trans	-142.1	5.5	-173.4	63.3	159.8	0	0	0	115.4	S193 E199 K361 T492	S193-I197 PolarHBondContact O-N 2.95Å; I197-E199 VanDerWaalsContact C-N 3.3Å; I197-E199 HydrophobicContact CD1-CB 3.98Å; I197-E199 HydrophobicContact CD1-CG 4.49Å; I197-E199 HydrophobicContact CG1-CB 4.08Å; I197-K361 HydrophobicContact CD1-CB 4.2Å; I197-K361 HydrophobicContact CD1-CD 3.43Å; I197-K361 VanDerWaalsContact CD1-CD 3.43Å; I197-K361 HydrophobicContact CD1-CG 3.65Å; I197-K361 HydrophobicContact CG1-CD 3.97Å; I197-K361 HydrophobicContact CG1-CG 4.47Å; I197-T492 VanDerWaalsContact CA-OG1 3.32Å; I197-T492 WeakPolarHBondContact CA-OG1 3.44Å; I197-T492 PolarHBondContact N-OG1 3.04Å
198	G	90.1	Very high	91.4	Very high	7 Å²	7	21.2 Å²	21.2	7%	0.072	12%	0.119	C	C	.	.	S	Bend	trans	80.3	7.5	-175.2	0	0	0	0	0	114.4	L194 S204 L205	L194-G198 WeakPolarHBondContact O-CA 3.25Å; L194-G198 PolarHBondContact O-N 3.36Å; G198-S204 WeakPolarHBondContact O-CA 3.5Å; G198-L205 PolarHBondContact O-N 3.39Å
199	E	92.6	Very high	90.3	Very high	54 Å²	54	22.6 Å²	22.6	25%	0.252	11%	0.114	S	C	.	.	B	Isolated β-bridge	trans	-143.8	137.8	-170.2	170.3	171.4	-134.7	0	0	112.4	I197 S225 K361	I197-E199 VanDerWaalsContact C-N 3.3Å; I197-E199 HydrophobicContact CD1-CB 3.98Å; I197-E199 HydrophobicContact CD1-CG 4.49Å; I197-E199 HydrophobicContact CG1-CB 4.08Å; E199-S225 VanDerWaalsContact CD-CB 3.48Å; E199-S225 WeakPolarHBondContact OE1-CB 3.2Å; E199-S225 PolarHBondContact OE1-N 3.49Å; E199-K361 PolarHBondContact O-NZ 2.82Å
200	T	94.9	Very high	88.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.119	C	C	.	.			trans	-117.3	177.7	170.3	70.1	0	0	0	0	110.7	L190 L194 L202 F203 G224 S225 K361	L190-T200 HydrophobicContact CB-CG2 4.2Å; L190-T200 HydrophobicContact CD2-CG2 4.15Å; L194-T200 HydrophobicContact CD1-CG2 4.4Å; L194-T200 HydrophobicContact CD2-CG2 3.59Å; L194-T200 HydrophobicContact CG-CG2 3.53Å; T200-L202 PolarHBondContact O-N 2.87Å; T200-L202 PolarHBondContact OG1-N 3.07Å; T200-F203 PolarHBondContact N-O 2.99Å; T200-F203 PolarHBondContact OG1-N 3.37Å; T200-F203 VanDerWaalsContact OG1-N 3.07Å; T200-F203 PolarHBondContact OG1-O 3.37Å; T200-G224 CarbonylContact O-C 3.57Å; T200-G224 WeakPolarHBondContact O-CA 3.4Å; T200-S225 PolarHBondContact O-N 3.07Å; T200-S225 VanDerWaalsContact O-N 3.09Å; T200-K361 VanDerWaalsContact C-NZ 3.29Å; T200-K361 VanDerWaalsContact CA-NZ 3.26Å
201	A	92.8	Very high	87.1	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.025	16%	0.158	C	C	.	.	S	Bend	trans	-65.1	-17.2	168.3	0	0	0	0	0	114.6	S225 L226 Q279 M353 D357	A201-S225 WeakPolarHBondContact CA-O 3.43Å; A201-L226 HydrophobicContact CB-CD2 3.94Å; A201-L226 WeakPolarHBondContact O-CD2 3.05Å; A201-Q279 PolarHBondContact O-NE2 2.9Å; A201-M353 HydrophobicContact CB-CE 3.36Å; A201-D357 HydrophobicContact CB-CB 4.31Å; A201-D357 PolarHBondContact N-OD2 3.01Å; A201-D357 VanDerWaalsContact N-OD2 3.13Å
202	L	92.2	Very high	85.6	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	19%	0.189	C	C	.	.	S	Bend	trans	-99.4	-46.9	-173.6	-57	173.4	0	0	0	111.9	L190 T200 G224 L275 T333 L337	L190-L202 HydrophobicContact CD1-CD1 3.62Å; L190-L202 HydrophobicContact CD2-CD1 3.66Å; L190-L202 HydrophobicContact CD2-CG 4.43Å; L190-L202 HydrophobicContact CG-CD1 4.22Å; T200-L202 PolarHBondContact O-N 2.87Å; T200-L202 PolarHBondContact OG1-N 3.07Å; L202-G224 PolarHBondContact O-N 2.8Å; L202-L275 HydrophobicContact CD2-CD1 3.68Å; L202-L275 HydrophobicContact CD2-CD2 3.95Å; L202-T333 HydrophobicContact CB-CG2 4.49Å; L202-T333 HydrophobicContact CD2-CG2 4.4Å; L202-L337 HydrophobicContact CD1-CD1 3.69Å; L202-L337 HydrophobicContact CD1-CD2 3.84Å; L202-L337 HydrophobicContact CD1-CG 4.39Å; L202-L337 HydrophobicContact CD2-CD1 4.08Å; L202-L337 HydrophobicContact CD2-CD2 3.82Å; L202-L337 HydrophobicContact CD2-CG 4.27Å; L202-L337 HydrophobicContact CG-CD1 4.32Å; L202-L337 HydrophobicContact CG-CD2 4.48Å
203	F	92.8	Very high	83.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.4	178.1	63.5	-85.3	0	0	0	111.3	L190 L194 T200 L205 I221 H222 G224 I302 W304 L307 W330	L190-F203 HydrophobicContact CD1-CE1 3.79Å; L190-F203 HydrophobicContact CD1-CZ 4.38Å; L194-F203 HydrophobicContact CD1-CE2 3.95Å; L194-F203 HydrophobicContact CD1-CZ 3.89Å; L194-F203 HydrophobicContact CD2-CD2 4.41Å; L194-F203 HydrophobicContact CD2-CE2 3.89Å; L194-F203 HydrophobicContact CD2-CZ 4.43Å; T200-F203 PolarHBondContact N-O 2.99Å; T200-F203 PolarHBondContact OG1-N 3.37Å; T200-F203 VanDerWaalsContact OG1-N 3.07Å; T200-F203 PolarHBondContact OG1-O 3.37Å; F203-L205 HydrophobicContact CD2-CD2 3.96Å; F203-L205 HydrophobicContact CD2-CG 4.06Å; F203-L205 HydrophobicContact CE2-CD1 4.19Å; F203-L205 HydrophobicContact CE2-CD2 4.07Å; F203-L205 HydrophobicContact CE2-CG 3.95Å; F203-I221 HydrophobicContact CB-CG2 4.31Å; F203-H222 CarbonylContact C-O 2.96Å; F203-H222 VanDerWaalsContact CA-O 3.24Å; F203-H222 WeakPolarHBondContact CA-O 3.45Å; F203-H222 WeakPolarHBondContact CB-O 3.35Å; F203-G224 VanDerWaalsContact CA-N 3.3Å; F203-I302 HydrophobicContact CD1-CD1 4.2Å; F203-I302 HydrophobicContact CE1-CD1 3.57Å; F203-I302 HydrophobicContact CZ-CD1 4.32Å; F203-W304 HydrophobicContact CD2-CH2 4.47Å; F203-W304 HydrophobicContact CE1-CH2 4.3Å; F203-W304 HydrophobicContact CE2-CH2 4.19Å; F203-W304 HydrophobicContact CE2-CZ3 4.13Å; F203-W304 HydrophobicContact CZ-CH2 4.1Å; F203-W304 HydrophobicContact CZ-CZ3 4.28Å; F203-L307 HydrophobicContact CE2-CD1 4.29Å; F203-L307 HydrophobicContact CZ-CD1 3.74Å; F203-W330 HydrophobicContact CB-CZ3 4.01Å; F203-W330 HydrophobicContact CD1-CH2 4.35Å; F203-W330 HydrophobicContact CD1-CZ3 4.07Å; F203-W330 HydrophobicContact CG-CZ3 4.23Å
204	S	91.8	Very high	82	Confident	18 Å²	18	48.5 Å²	48.5	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.6	167.7	57.7	0	0	0	0	111.2	G198 H222	G198-S204 WeakPolarHBondContact O-CA 3.5Å; S204-H222 PolarHBondContact N-O 3.28Å; S204-H222 PolarHBondContact O-N 2.8Å; S204-H222 WeakPolarHBondContact OG-CB 3.35Å
205	L	89.1	Confident	80.7	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.5	-179.5	-61.8	-179.3	0	0	0	109.9	L194 G198 F203 I219 I221 L307 F308	L194-L205 HydrophobicContact CD2-CG 4.48Å; G198-L205 PolarHBondContact O-N 3.39Å; F203-L205 HydrophobicContact CD2-CD2 3.96Å; F203-L205 HydrophobicContact CD2-CG 4.06Å; F203-L205 HydrophobicContact CE2-CD1 4.19Å; F203-L205 HydrophobicContact CE2-CD2 4.07Å; F203-L205 HydrophobicContact CE2-CG 3.95Å; L205-I219 HydrophobicContact CD2-CG2 4.3Å; L205-I221 HydrophobicContact CD2-CG1 3.85Å; L205-I221 HydrophobicContact CD2-CG2 4.47Å; L205-L307 HydrophobicContact CD1-CD2 3.52Å; L205-F308 HydrophobicContact CD1-CD1 4.36Å; L205-F308 HydrophobicContact CD1-CE1 4.05Å; L205-F308 HydrophobicContact CD2-CE1 4.21Å
206	K	84.2	Confident	79.7	Confident	105 Å²	105	51.9 Å²	51.9	46%	0.457	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.3	175.9	-178.8	-179.1	162.6	-138.7	0	109.9	V208 I219 E220	K206-V208 HydrophobicContact CD-CG2 4.17Å; K206-V208 HydrophobicContact CG-CG2 4.06Å; K206-I219 CarbonylContact O-C 3.56Å; K206-I219 WeakPolarHBondContact O-CA 3.36Å; K206-E220 HydrophobicContact CB-CB 4.34Å; K206-E220 PolarHBondContact N-O 3.49Å; K206-E220 IonicContact NZ-OE2 3.06Å; K206-E220 PolarHBondContact NZ-OE2 3Å; K206-E220 PolarHBondContact O-N 3.01Å
207	L	80.7	Confident	79	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.6	170.3	-171.7	71.3	0	0	0	108.6	Q217 I219 F312 L320 L496	L207-Q217 HydrophobicContact CD1-CB 4.31Å; L207-I219 HydrophobicContact CD1-CG1 3.91Å; L207-F312 HydrophobicContact CB-CE1 4.38Å; L207-L320 HydrophobicContact CD1-CD1 3.8Å; L207-L496 WeakPolarHBondContact CB-O 3.32Å; L207-L496 WeakPolarHBondContact CD2-O 3.38Å
208	V	77.6	Confident	78.6	Confident	30 Å²	30	53.5 Å²	53.5	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.9	176.8	179	0	0	0	0	109.5	K206 Q217 F218 E220	K206-V208 HydrophobicContact CD-CG2 4.17Å; K206-V208 HydrophobicContact CG-CG2 4.06Å; V208-Q217 WeakPolarHBondContact O-CA 3.35Å; V208-F218 HydrophobicContact CB-CD1 4.42Å; V208-F218 HydrophobicContact CB-CD2 4.27Å; V208-F218 HydrophobicContact CB-CE1 3.92Å; V208-F218 HydrophobicContact CB-CE2 3.77Å; V208-F218 HydrophobicContact CB-CZ 3.58Å; V208-F218 HydrophobicContact CG1-CE1 3.69Å; V208-F218 HydrophobicContact CG1-CE2 4.11Å; V208-F218 HydrophobicContact CG1-CZ 3.41Å; V208-F218 VanDerWaalsContact CG1-CZ 3.41Å; V208-F218 HydrophobicContact CG2-CE2 4.33Å; V208-F218 HydrophobicContact CG2-CZ 4.43Å; V208-F218 PolarHBondContact N-O 3.02Å; V208-F218 PolarHBondContact O-N 3.39Å; V208-E220 HydrophobicContact CB-CG 4.43Å; V208-E220 HydrophobicContact CG2-CG 3.71Å; V208-E220 WeakPolarHBondContact CG2-OE2 3.5Å
209	K	71.2	Confident	78.4	Confident	86 Å²	86	53.1 Å²	53.1	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.1	170.9	-50.3	-167	-179.7	173.7	0	107.8	I211 Q217 F497 G498	K209-I211 PolarHBondContact O-N 3.08Å; K209-Q217 HydrophobicContact CD-CG 4.48Å; K209-Q217 HydrophobicContact CG-CG 4.04Å; K209-F497 WeakPolarHBondContact CE-O 3.36Å; K209-F497 PolarHBondContact NZ-O 3.36Å; K209-G498 PolarHBondContact NZ-O 3.32Å
210	D	65.2	Low	78.1	Confident	33 Å²	33	52.1 Å²	52.1	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	103.1	172.5	-166.2	-18.4	0	0	0	109.5	T212 Q213 G215 V216 F218	D210-T212 PolarHBondContact O-N 3.18Å; D210-T212 WeakPolarHBondContact OD1-CA 3.45Å; D210-T212 WeakPolarHBondContact OD1-CB 3.41Å; D210-T212 PolarHBondContact OD1-N 3.12Å; D210-T212 PolarHBondContact OD1-OG1 3.45Å; D210-T212 PolarHBondContact OD2-OG1 2.79Å; D210-Q213 HydrophobicContact CB-CB 4.2Å; D210-Q213 PolarHBondContact O-N 2.83Å; D210-Q213 PolarHBondContact OD1-N 3.13Å; D210-Q213 VanDerWaalsContact OD2-CG 3.3Å; D210-Q213 WeakPolarHBondContact OD2-CG 3.22Å; D210-G215 WeakPolarHBondContact O-CA 3.33Å; D210-G215 PolarHBondContact O-N 3.06Å; D210-V216 PolarHBondContact N-O 2.82Å; D210-F218 HydrophobicContact CB-CE1 4.06Å
211	I	58.5	Low	78	Confident	159 Å²	159	52.1 Å²	52.1	82%	0.815	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.9	177.1	-53.9	171.8	0	0	0	110.7	K209	K209-I211 PolarHBondContact O-N 3.08Å
212	T	62.8	Low	77.8	Confident	123 Å²	123	54.3 Å²	54.3	76%	0.755	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-27.7	-177.8	73.3	0	0	0	0	113	D210	D210-T212 PolarHBondContact O-N 3.18Å; D210-T212 WeakPolarHBondContact OD1-CA 3.45Å; D210-T212 WeakPolarHBondContact OD1-CB 3.41Å; D210-T212 PolarHBondContact OD1-N 3.12Å; D210-T212 PolarHBondContact OD1-OG1 3.45Å; D210-T212 PolarHBondContact OD2-OG1 2.79Å
213	Q	56.6	Low	77.7	Confident	93 Å²	93	55.8 Å²	55.8	44%	0.435	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	60.1	179.1	-64.2	-173.3	23.4	0	0	111.6	D210 G215 V216	D210-Q213 HydrophobicContact CB-CB 4.2Å; D210-Q213 PolarHBondContact O-N 2.83Å; D210-Q213 PolarHBondContact OD1-N 3.13Å; D210-Q213 VanDerWaalsContact OD2-CG 3.3Å; D210-Q213 WeakPolarHBondContact OD2-CG 3.22Å; Q213-G215 PolarHBondContact O-N 3.09Å; Q213-V216 WeakPolarHBondContact O-CG2 3.45Å; Q213-V216 PolarHBondContact O-N 3.34Å
214	N	59.6	Low	77.7	Confident	173 Å²	173	56.2 Å²	56.2	93%	0.925	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	24.3	175.7	-73.9	-10.2	0	0	0	115.4
215	G	64.6	Low	77.7	Confident	37 Å²	37	56.1 Å²	56.1	38%	0.381	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	18.4	-180	0	0	0	0	0	115	D210 Q213 Q217	D210-G215 WeakPolarHBondContact O-CA 3.33Å; D210-G215 PolarHBondContact O-N 3.06Å; Q213-G215 PolarHBondContact O-N 3.09Å; G215-Q217 PolarHBondContact O-N 2.96Å
216	V	72.4	Confident	77.9	Confident	66 Å²	66	56.4 Å²	56.4	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	131.9	172.7	170.6	0	0	0	0	109.7	D210 Q213	D210-V216 PolarHBondContact N-O 2.82Å; Q213-V216 WeakPolarHBondContact O-CG2 3.45Å; Q213-V216 PolarHBondContact O-N 3.34Å
217	Q	77.5	Confident	78.3	Confident	70 Å²	70	53.4 Å²	53.4	33%	0.327	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.2	-179.9	-58.6	-173.2	-12	0	0	109.6	L207 V208 K209 G215 L320	L207-Q217 HydrophobicContact CD1-CB 4.31Å; V208-Q217 WeakPolarHBondContact O-CA 3.35Å; K209-Q217 HydrophobicContact CD-CG 4.48Å; K209-Q217 HydrophobicContact CG-CG 4.04Å; G215-Q217 PolarHBondContact O-N 2.96Å; Q217-L320 HydrophobicContact CB-CD2 3.55Å; Q217-L320 WeakPolarHBondContact O-CD2 3.37Å
218	F	83	Confident	78.9	Confident	32 Å²	32	52.5 Å²	52.5	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.2	175	62.6	-87.8	0	0	0	110.4	V208 D210 E220 E321 T323	V208-F218 HydrophobicContact CB-CD1 4.42Å; V208-F218 HydrophobicContact CB-CD2 4.27Å; V208-F218 HydrophobicContact CB-CE1 3.92Å; V208-F218 HydrophobicContact CB-CE2 3.77Å; V208-F218 HydrophobicContact CB-CZ 3.58Å; V208-F218 HydrophobicContact CG1-CE1 3.69Å; V208-F218 HydrophobicContact CG1-CE2 4.11Å; V208-F218 HydrophobicContact CG1-CZ 3.41Å; V208-F218 VanDerWaalsContact CG1-CZ 3.41Å; V208-F218 HydrophobicContact CG2-CE2 4.33Å; V208-F218 HydrophobicContact CG2-CZ 4.43Å; V208-F218 PolarHBondContact N-O 3.02Å; V208-F218 PolarHBondContact O-N 3.39Å; D210-F218 HydrophobicContact CB-CE1 4.06Å; F218-E220 HydrophobicContact CD2-CG 4Å; F218-E220 HydrophobicContact CE2-CG 3.57Å; F218-E321 CarbonylContact C-O 3.54Å; F218-E321 WeakPolarHBondContact CA-O 3.3Å; F218-E321 HydrophobicContact CB-CB 4.01Å; F218-E321 VanDerWaalsContact CB-O 3.23Å; F218-E321 WeakPolarHBondContact CB-O 3.4Å; F218-T323 HydrophobicContact CD2-CG2 4.01Å; F218-T323 HydrophobicContact CE2-CG2 4.32Å
219	I	86.6	Confident	79.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.4	179.5	-64.1	163.9	0	0	0	108.6	L205 K206 L207 I221 F312 L320 E321 F322 T323	L205-I219 HydrophobicContact CD2-CG2 4.3Å; K206-I219 CarbonylContact O-C 3.56Å; K206-I219 WeakPolarHBondContact O-CA 3.36Å; L207-I219 HydrophobicContact CD1-CG1 3.91Å; I219-I221 HydrophobicContact CG2-CG1 4.43Å; I219-F312 HydrophobicContact CD1-CD2 3.96Å; I219-F312 HydrophobicContact CD1-CE2 3.39Å; I219-F312 HydrophobicContact CD1-CZ 3.73Å; I219-F312 HydrophobicContact CG1-CE2 4.05Å; I219-F312 HydrophobicContact CG1-CZ 3.85Å; I219-F312 HydrophobicContact CG2-CZ 4.23Å; I219-L320 HydrophobicContact CD1-CB 4.39Å; I219-L320 HydrophobicContact CD1-CD1 3.73Å; I219-L320 HydrophobicContact CG1-CD1 3.91Å; I219-E321 PolarHBondContact N-O 3.42Å; I219-F322 HydrophobicContact CB-CD1 3.91Å; I219-F322 HydrophobicContact CB-CE1 4.23Å; I219-F322 HydrophobicContact CD1-CD1 4.19Å; I219-F322 HydrophobicContact CD1-CE1 3.6Å; I219-F322 HydrophobicContact CD1-CZ 4.31Å; I219-F322 HydrophobicContact CG1-CE1 4.47Å; I219-F322 HydrophobicContact CG2-CD1 4.29Å; I219-F322 WeakPolarHBondContact O-CA 3.49Å; I219-T323 PolarHBondContact O-N 2.69Å
220	E	87.2	Confident	80.4	Confident	32 Å²	32	48.2 Å²	48.2	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127	168.6	-58.9	-173.7	142.2	0	0	109.8	K206 V208 F218 H222 T323	K206-E220 HydrophobicContact CB-CB 4.34Å; K206-E220 PolarHBondContact N-O 3.49Å; K206-E220 IonicContact NZ-OE2 3.06Å; K206-E220 PolarHBondContact NZ-OE2 3Å; K206-E220 PolarHBondContact O-N 3.01Å; V208-E220 HydrophobicContact CB-CG 4.43Å; V208-E220 HydrophobicContact CG2-CG 3.71Å; V208-E220 WeakPolarHBondContact CG2-OE2 3.5Å; F218-E220 HydrophobicContact CD2-CG 4Å; F218-E220 HydrophobicContact CE2-CG 3.57Å; E220-H222 IonicContact OE2-NE2 3.04Å; E220-H222 PolarHBondContact OE2-NE2 3.37Å; E220-T323 WeakPolarHBondContact CG-OG1 3.49Å
221	I	90.8	Very high	81.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.5	170.1	-53.1	178.2	0	0	0	107.8	F203 L205 I219 L295 W304 T323 I324 Q325	F203-I221 HydrophobicContact CB-CG2 4.31Å; L205-I221 HydrophobicContact CD2-CG1 3.85Å; L205-I221 HydrophobicContact CD2-CG2 4.47Å; I219-I221 HydrophobicContact CG2-CG1 4.43Å; I221-L295 HydrophobicContact CD1-CD1 3.76Å; I221-L295 HydrophobicContact CD1-CD2 3.71Å; I221-L295 HydrophobicContact CD1-CG 4.41Å; I221-W304 HydrophobicContact CD1-CZ3 4.43Å; I221-T323 PolarHBondContact N-O 3.28Å; I221-I324 HydrophobicContact CB-CG1 4.29Å; I221-I324 HydrophobicContact CG2-CD1 4.5Å; I221-I324 HydrophobicContact CG2-CG1 4.5Å; I221-I324 WeakPolarHBondContact O-CA 3.4Å; I221-Q325 PolarHBondContact O-N 3.1Å
222	H	89.8	Confident	82.1	Confident	50 Å²	50	49.4 Å²	49.4	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	160.2	175.8	-67.2	-93.3	0	0	0	110.5	F203 S204 E220 Q325	F203-H222 CarbonylContact C-O 2.96Å; F203-H222 VanDerWaalsContact CA-O 3.24Å; F203-H222 WeakPolarHBondContact CA-O 3.45Å; F203-H222 WeakPolarHBondContact CB-O 3.35Å; S204-H222 PolarHBondContact N-O 3.28Å; S204-H222 PolarHBondContact O-N 2.8Å; S204-H222 WeakPolarHBondContact OG-CB 3.35Å; E220-H222 IonicContact OE2-NE2 3.04Å; E220-H222 PolarHBondContact OE2-NE2 3.37Å; H222-Q325 PolarHBondContact ND1-OE1 3.39Å
223	S	90.7	Very high	82.9	Confident	37 Å²	37	48.5 Å²	48.5	26%	0.259	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	146	166.6	-61.3	0	0	0	0	110.2
224	G	91.1	Very high	83.9	Confident	8 Å²	8	44.6 Å²	44.6	8%	0.082	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-69.8	167.9	176.1	0	0	0	0	0	111.7	T200 L202 F203 Q279	T200-G224 CarbonylContact O-C 3.57Å; T200-G224 WeakPolarHBondContact O-CA 3.4Å; L202-G224 PolarHBondContact O-N 2.8Å; F203-G224 VanDerWaalsContact CA-N 3.3Å; G224-Q279 PolarHBondContact O-OE1 2.89Å
225	S	92.4	Very high	84.4	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-97.8	124.4	173.5	171	0	0	0	0	110.9	E199 T200 A201 D227	E199-S225 VanDerWaalsContact CD-CB 3.48Å; E199-S225 WeakPolarHBondContact OE1-CB 3.2Å; E199-S225 PolarHBondContact OE1-N 3.49Å; T200-S225 PolarHBondContact O-N 3.07Å; T200-S225 VanDerWaalsContact O-N 3.09Å; A201-S225 WeakPolarHBondContact CA-O 3.43Å; S225-D227 VanDerWaalsContact C-N 3.29Å; S225-D227 VanDerWaalsContact OG-CB 3.25Å; S225-D227 WeakPolarHBondContact OG-CB 3.03Å; S225-D227 PolarHBondContact OG-N 2.92Å; S225-D227 PolarHBondContact OG-OD1 3.27Å
226	L	93.6	Very high	84.8	Confident	14 Å²	14	40.7 Å²	40.7	7%	0.073	21%	0.208	C	C	.	.			trans	-94.3	19.9	172.5	-58.5	172.9	0	0	0	112.2	A201 A228 F229 D230 Y272 L275 K276 Q279 M353	A201-L226 HydrophobicContact CB-CD2 3.94Å; A201-L226 WeakPolarHBondContact O-CD2 3.05Å; L226-A228 PolarHBondContact O-N 3.29Å; L226-F229 PolarHBondContact O-N 2.7Å; L226-D230 PolarHBondContact O-N 3.44Å; L226-Y272 HydrophobicContact CB-CD2 3.95Å; L226-Y272 HydrophobicContact CB-CE2 3.71Å; L226-Y272 HydrophobicContact CD1-CD2 3.9Å; L226-Y272 HydrophobicContact CD1-CE2 4Å; L226-Y272 HydrophobicContact CD2-CD2 4.28Å; L226-Y272 HydrophobicContact CG-CD2 4.27Å; L226-Y272 HydrophobicContact CG-CE2 4.39Å; L226-L275 HydrophobicContact CD1-CB 4.1Å; L226-L275 HydrophobicContact CD2-CB 4.41Å; L226-K276 HydrophobicContact CD1-CB 3.83Å; L226-Q279 VanDerWaalsContact CD1-OE1 3.28Å; L226-M353 HydrophobicContact CD2-CE 3.48Å; L226-M353 VanDerWaalsContact CD2-CE 3.48Å
227	D	92.1	Very high	84.6	Confident	41 Å²	41	43.7 Å²	43.7	22%	0.219	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.2	-175.6	-80	5	0	0	0	113.2	S225 F229 D230 K233 Y360	S225-D227 VanDerWaalsContact C-N 3.29Å; S225-D227 VanDerWaalsContact OG-CB 3.25Å; S225-D227 WeakPolarHBondContact OG-CB 3.03Å; S225-D227 PolarHBondContact OG-N 2.92Å; S225-D227 PolarHBondContact OG-OD1 3.27Å; D227-F229 PolarHBondContact O-N 3.47Å; D227-D230 PolarHBondContact O-N 3.22Å; D227-K233 HydrophobicContact CB-CG 4.07Å; D227-K233 VanDerWaalsContact OD1-CE 3.23Å; D227-K233 WeakPolarHBondContact OD1-CE 3.46Å; D227-K233 IonicContact OD1-NZ 2.7Å; D227-K233 WeakPolarHBondContact OD2-CE 3.32Å; D227-K233 IonicContact OD2-NZ 2.62Å; D227-K233 PolarHBondContact OD2-NZ 3.26Å; D227-Y360 HydrophobicContact CB-CE1 3.66Å
228	A	93.3	Very high	84.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.1	175.3	0	0	0	0	0	113.5	L226 I248 Y360 Y374	L226-A228 PolarHBondContact O-N 3.29Å; A228-I248 VanDerWaalsContact O-CD1 3.32Å; A228-I248 WeakPolarHBondContact O-CD1 3.4Å; A228-Y360 HydrophobicContact CB-CD1 3.65Å; A228-Y360 HydrophobicContact CB-CD2 4.26Å; A228-Y360 HydrophobicContact CB-CE1 4.44Å; A228-Y360 HydrophobicContact CB-CG 3.55Å; A228-Y374 VanDerWaalsContact O-CE1 3.31Å; A228-Y374 WeakPolarHBondContact O-CE1 3.49Å; A228-Y374 PolarHBondContact O-OH 2.99Å
229	F	92.8	Very high	83.5	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-1.6	-176.2	-51.2	-80.3	0	0	0	112.5	L226 D227 K231 I248 V268 F269 Y272 M353 I356	L226-F229 PolarHBondContact O-N 2.7Å; D227-F229 PolarHBondContact O-N 3.47Å; F229-K231 PolarHBondContact O-N 3.12Å; F229-I248 HydrophobicContact CD1-CD1 4.17Å; F229-V268 HydrophobicContact CD1-CG1 4.37Å; F229-V268 HydrophobicContact CE1-CG1 3.58Å; F229-V268 HydrophobicContact CZ-CG1 3.99Å; F229-F269 HydrophobicContact CD1-CE2 4.31Å; F229-Y272 HydrophobicContact CB-CD1 4Å; F229-Y272 HydrophobicContact CB-CD2 3.53Å; F229-Y272 HydrophobicContact CB-CE1 4.02Å; F229-Y272 HydrophobicContact CB-CE2 3.59Å; F229-Y272 HydrophobicContact CB-CG 3.73Å; F229-Y272 HydrophobicContact CD2-CD2 4.2Å; F229-Y272 HydrophobicContact CG-CD2 4.1Å; F229-Y272 HydrophobicContact CG-CG 4.19Å; F229-Y272 PolarHBondContact O-OH 2.94Å; F229-Y272 VanDerWaalsContact O-OH 3.05Å; F229-M353 HydrophobicContact CE2-CE 4.31Å; F229-M353 HydrophobicContact CE2-CG 3.8Å; F229-M353 HydrophobicContact CZ-CB 4.44Å; F229-M353 HydrophobicContact CZ-CG 3.81Å; F229-I356 HydrophobicContact CE1-CB 4.3Å; F229-I356 HydrophobicContact CE1-CD1 4.27Å; F229-I356 HydrophobicContact CE1-CG2 3.65Å; F229-I356 HydrophobicContact CZ-CB 3.97Å; F229-I356 HydrophobicContact CZ-CG2 3.6Å
230	D	86.9	Confident	83.2	Confident	25 Å²	25	53 Å²	53	13%	0.134	28%	0.278	C	S	.	.			trans	-85.6	118	-174	-160.1	2.1	0	0	0	112.2	L226 D227 E232 K233 L234 Y272 K276	L226-D230 PolarHBondContact O-N 3.44Å; D227-D230 PolarHBondContact O-N 3.22Å; D230-E232 PolarHBondContact O-N 2.98Å; D230-K233 HydrophobicContact CB-CB 4.42Å; D230-K233 HydrophobicContact CB-CG 3.98Å; D230-K233 WeakPolarHBondContact O-CB 3.26Å; D230-K233 PolarHBondContact O-N 3.37Å; D230-L234 WeakPolarHBondContact O-CG 3.42Å; D230-L234 PolarHBondContact O-N 3.42Å; D230-Y272 WeakPolarHBondContact CA-OH 3.42Å; D230-K276 IonicContact OD1-NZ 2.72Å; D230-K276 PolarHBondContact OD1-NZ 3.45Å
231	K	82.3	Confident	82.8	Confident	62 Å²	62	55.3 Å²	55.3	27%	0.27	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-58.3	-33.9	-178.2	66.4	-173.8	179.6	-169.3	0	113.5	F229 K233 L234 Q239 V244	F229-K231 PolarHBondContact O-N 3.12Å; K231-K233 PolarHBondContact O-N 3.5Å; K231-L234 PolarHBondContact O-N 3.02Å; K231-Q239 PolarHBondContact NZ-O 2.95Å; K231-Q239 VanDerWaalsContact NZ-O 3.09Å; K231-V244 HydrophobicContact CB-CG2 3.75Å
232	E	78.9	Confident	82.5	Confident	155 Å²	155	57.5 Å²	57.5	72%	0.724	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64.7	-28.5	177.1	-66	-175.5	-172.2	0	0	112	D230	D230-E232 PolarHBondContact O-N 2.98Å
233	K	79.3	Confident	82.4	Confident	105 Å²	105	59.3 Å²	59.3	46%	0.457	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-84	-18.8	177.9	-59.7	-69.3	179.6	155.8	0	113	D227 D230 K231	D227-K233 HydrophobicContact CB-CG 4.07Å; D227-K233 VanDerWaalsContact OD1-CE 3.23Å; D227-K233 WeakPolarHBondContact OD1-CE 3.46Å; D227-K233 IonicContact OD1-NZ 2.7Å; D227-K233 WeakPolarHBondContact OD2-CE 3.32Å; D227-K233 IonicContact OD2-NZ 2.62Å; D227-K233 PolarHBondContact OD2-NZ 3.26Å; D230-K233 HydrophobicContact CB-CB 4.42Å; D230-K233 HydrophobicContact CB-CG 3.98Å; D230-K233 WeakPolarHBondContact O-CB 3.26Å; D230-K233 PolarHBondContact O-N 3.37Å; K231-K233 PolarHBondContact O-N 3.5Å
234	L	77.2	Confident	82.3	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.5	-177.1	-61.2	170	0	0	0	113.7	D230 K231 V236 V244 I248 Y251 Y374	D230-L234 WeakPolarHBondContact O-CG 3.42Å; D230-L234 PolarHBondContact O-N 3.42Å; K231-L234 PolarHBondContact O-N 3.02Å; L234-V236 HydrophobicContact CB-CG2 3.76Å; L234-V236 PolarHBondContact O-N 3.45Å; L234-V236 VanDerWaalsContact O-N 3.12Å; L234-V244 HydrophobicContact CD1-CG1 3.63Å; L234-I248 HydrophobicContact CD1-CD1 3.92Å; L234-I248 HydrophobicContact CD1-CG1 3.91Å; L234-Y251 HydrophobicContact CD2-CE2 4.34Å; L234-Y374 HydrophobicContact CD2-CD1 3.24Å; L234-Y374 HydrophobicContact CD2-CE1 3.33Å; L234-Y374 HydrophobicContact CD2-CG 4.45Å
235	N	70.6	Confident	82.4	Confident	92 Å²	92	59.4 Å²	59.4	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.8	-176.3	-65.6	-31.6	0	0	0	113.8	N377	N235-N377 PolarHBondContact ND2-ND2 3.46Å; N235-N377 PolarHBondContact ND2-OD1 3.05Å
236	V	71.5	Confident	82.3	Confident	37 Å²	37	64 Å²	64	22%	0.224	33%	0.328	C	S	.	.			trans	-81.4	126.9	177.8	-178.3	0	0	0	0	108.3	L234 S238 L247	L234-V236 HydrophobicContact CB-CG2 3.76Å; L234-V236 PolarHBondContact O-N 3.45Å; L234-V236 VanDerWaalsContact O-N 3.12Å; V236-S238 VanDerWaalsContact C-N 3.27Å; V236-S238 PolarHBondContact O-N 2.75Å; V236-L247 HydrophobicContact CG2-CD2 3.29Å
237	S	69.9	Low	82.3	Confident	129 Å²	129	65.6 Å²	65.6	90%	0.902	34%	0.336	S	S	*	.			trans	-72	-22.6	177.7	52.2	0	0	0	0	113.1
238	S	69.6	Low	82.4	Confident	20 Å²	20	63.6 Å²	63.6	14%	0.14	33%	0.326	C	S	.	.			trans	-74.2	143.8	178.5	-175.2	0	0	0	0	112.6	V236 E240 E243	V236-S238 VanDerWaalsContact C-N 3.27Å; V236-S238 PolarHBondContact O-N 2.75Å; S238-E240 PolarHBondContact OG-N 2.83Å; S238-E243 WeakPolarHBondContact CB-OE1 3.42Å; S238-E243 WeakPolarHBondContact CB-OE2 3.11Å; S238-E243 PolarHBondContact OG-OE1 3.14Å; S238-E243 PolarHBondContact OG-OE2 3.06Å; S238-E243 VanDerWaalsContact OG-OE2 3.09Å
239	Q	66.5	Low	82.5	Confident	163 Å²	163	63.7 Å²	63.7	76%	0.762	33%	0.326	S	S	*	.			trans	-90.8	-8.1	177.1	-66.7	-155.7	-15.6	0	0	113.5	K231	K231-Q239 PolarHBondContact NZ-O 2.95Å; K231-Q239 VanDerWaalsContact NZ-O 3.09Å
240	E	79.7	Confident	82.6	Confident	115 Å²	115	70 Å²	70	54%	0.537	35%	0.354	S	S	.	.			trans	-86.1	129.2	-173.6	-58.5	-165.9	174.5	0	0	112.7	S238 S242 E243 V244	S238-E240 PolarHBondContact OG-N 2.83Å; E240-S242 WeakPolarHBondContact CB-OG 3.19Å; E240-S242 PolarHBondContact O-N 3.28Å; E240-S242 PolarHBondContact OE2-OG 3.4Å; E240-E243 PolarHBondContact O-N 3.29Å; E240-V244 PolarHBondContact O-N 3.02Å
241	D	79.9	Confident	82.9	Confident	79 Å²	79	69.7 Å²	69.7	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-23.3	178.5	-65.9	-22	0	0	0	112.3	K245	D241-K245 WeakPolarHBondContact O-CB 3.49Å; D241-K245 PolarHBondContact O-N 3.21Å
242	S	85	Confident	83.6	Confident	47 Å²	47	66.8 Å²	66.8	33%	0.329	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-49.1	173.4	42.8	0	0	0	0	112.4	E240 V244 K245 E246	E240-S242 WeakPolarHBondContact CB-OG 3.19Å; E240-S242 PolarHBondContact O-N 3.28Å; E240-S242 PolarHBondContact OE2-OG 3.4Å; S242-V244 VanDerWaalsContact C-N 3.33Å; S242-V244 PolarHBondContact O-N 2.77Å; S242-K245 WeakPolarHBondContact O-CB 3.31Å; S242-K245 PolarHBondContact O-N 3.41Å; S242-E246 PolarHBondContact O-N 3.27Å
243	E	86.9	Confident	84.5	Confident	88 Å²	88	62.5 Å²	62.5	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-38.3	179.4	-70.7	-174.6	-134.7	0	0	111.7	S238 E240 K245 E246 L247	S238-E243 WeakPolarHBondContact CB-OE1 3.42Å; S238-E243 WeakPolarHBondContact CB-OE2 3.11Å; S238-E243 PolarHBondContact OG-OE1 3.14Å; S238-E243 PolarHBondContact OG-OE2 3.06Å; S238-E243 VanDerWaalsContact OG-OE2 3.09Å; E240-E243 PolarHBondContact O-N 3.29Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.06Å; E243-E246 PolarHBondContact O-N 2.87Å; E243-L247 WeakPolarHBondContact O-CB 3.42Å; E243-L247 PolarHBondContact O-N 2.85Å
244	V	88.9	Confident	85.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-42.3	176.3	179.2	0	0	0	0	110.5	K231 L234 E240 S242 L247 I248 F269	K231-V244 HydrophobicContact CB-CG2 3.75Å; L234-V244 HydrophobicContact CD1-CG1 3.63Å; E240-V244 PolarHBondContact O-N 3.02Å; S242-V244 VanDerWaalsContact C-N 3.33Å; S242-V244 PolarHBondContact O-N 2.77Å; V244-L247 PolarHBondContact O-N 3.09Å; V244-I248 HydrophobicContact CG1-CD1 4.04Å; V244-I248 WeakPolarHBondContact O-CG1 3.43Å; V244-I248 PolarHBondContact O-N 3.41Å; V244-F269 HydrophobicContact CB-CE1 4.48Å; V244-F269 HydrophobicContact CG1-CE1 4.3Å; V244-F269 HydrophobicContact CG1-CZ 4.14Å
245	K	92.3	Very high	86	Confident	46 Å²	46	58.9 Å²	58.9	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-48.8	176.8	-178.2	-173	71	-175.8	0	112.4	D241 S242 E243 L247 I248 F249 M265 D266 F269	D241-K245 WeakPolarHBondContact O-CB 3.49Å; D241-K245 PolarHBondContact O-N 3.21Å; S242-K245 WeakPolarHBondContact O-CB 3.31Å; S242-K245 PolarHBondContact O-N 3.41Å; E243-K245 VanDerWaalsContact C-N 3.32Å; E243-K245 PolarHBondContact O-N 3.06Å; K245-L247 VanDerWaalsContact C-N 3.32Å; K245-L247 PolarHBondContact O-N 3.06Å; K245-I248 PolarHBondContact O-N 3.38Å; K245-F249 WeakPolarHBondContact O-CB 3.41Å; K245-F249 PolarHBondContact O-N 3.42Å; K245-M265 HydrophobicContact CD-CB 3.83Å; K245-M265 HydrophobicContact CG-CB 3.66Å; K245-M265 HydrophobicContact CG-CE 4.31Å; K245-M265 HydrophobicContact CG-CG 4.43Å; K245-D266 IonicContact NZ-OD1 3.9Å; K245-D266 PolarHBondContact NZ-OD1 3.47Å; K245-F269 HydrophobicContact CB-CD1 4.35Å; K245-F269 HydrophobicContact CB-CD2 3.93Å; K245-F269 HydrophobicContact CB-CE1 4.01Å; K245-F269 HydrophobicContact CB-CE2 3.56Å; K245-F269 HydrophobicContact CB-CG 4.3Å; K245-F269 HydrophobicContact CB-CZ 3.59Å; K245-F269 HydrophobicContact CD-CD2 4.17Å; K245-F269 HydrophobicContact CD-CG 4.43Å; K245-F269 HydrophobicContact CG-CD2 3.67Å; K245-F269 HydrophobicContact CG-CE2 3.63Å; K245-F269 HydrophobicContact CG-CG 4.28Å; K245-F269 HydrophobicContact CG-CZ 4.21Å
246	E	91.9	Very high	87.2	Confident	113 Å²	113	55.5 Å²	55.5	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.6	-71.6	177.5	-167.3	0	0	111.5	S242 E243 F249 K250	S242-E246 PolarHBondContact O-N 3.27Å; E243-E246 PolarHBondContact O-N 2.87Å; E246-F249 PolarHBondContact O-N 3.23Å; E246-K250 PolarHBondContact O-N 3.38Å
247	L	92.1	Very high	88.4	Confident	48 Å²	48	54.1 Å²	54.1	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-46.9	177.6	-178.1	64.6	0	0	0	112.4	V236 E243 V244 K245 F249 K250 Y251	V236-L247 HydrophobicContact CG2-CD2 3.29Å; E243-L247 WeakPolarHBondContact O-CB 3.42Å; E243-L247 PolarHBondContact O-N 2.85Å; V244-L247 PolarHBondContact O-N 3.09Å; K245-L247 VanDerWaalsContact C-N 3.32Å; K245-L247 PolarHBondContact O-N 3.06Å; L247-F249 VanDerWaalsContact C-N 3.29Å; L247-F249 PolarHBondContact O-N 2.75Å; L247-K250 WeakPolarHBondContact O-CB 3.29Å; L247-K250 PolarHBondContact O-N 3.46Å; L247-Y251 HydrophobicContact CD1-CE1 3.88Å; L247-Y251 HydrophobicContact CD1-CE2 4.39Å; L247-Y251 HydrophobicContact CD2-CE2 4.29Å; L247-Y251 HydrophobicContact CG-CE1 4.26Å; L247-Y251 HydrophobicContact CG-CE2 3.87Å; L247-Y251 PolarHBondContact O-N 3.49Å; L247-Y251 VanDerWaalsContact O-N 3.16Å
248	I	94.2	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-44.6	175.9	-72.2	173.3	0	0	0	110	A228 F229 L234 V244 K245 K250 Y251 L252 M265 F269 Y374	A228-I248 VanDerWaalsContact O-CD1 3.32Å; A228-I248 WeakPolarHBondContact O-CD1 3.4Å; F229-I248 HydrophobicContact CD1-CD1 4.17Å; L234-I248 HydrophobicContact CD1-CD1 3.92Å; L234-I248 HydrophobicContact CD1-CG1 3.91Å; V244-I248 HydrophobicContact CG1-CD1 4.04Å; V244-I248 WeakPolarHBondContact O-CG1 3.43Å; V244-I248 PolarHBondContact O-N 3.41Å; K245-I248 PolarHBondContact O-N 3.38Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.21Å; I248-Y251 WeakPolarHBondContact O-CA 3.43Å; I248-Y251 WeakPolarHBondContact O-CB 3.35Å; I248-Y251 PolarHBondContact O-N 3.28Å; I248-L252 HydrophobicContact CG2-CD1 3.88Å; I248-L252 HydrophobicContact CG2-CG 4.25Å; I248-L252 WeakPolarHBondContact O-CG 3.36Å; I248-L252 PolarHBondContact O-N 2.93Å; I248-M265 HydrophobicContact CG2-CE 3.91Å; I248-F269 HydrophobicContact CD1-CE2 4.2Å; I248-F269 HydrophobicContact CD1-CZ 3.83Å; I248-Y374 HydrophobicContact CG1-CE1 4.38Å; I248-Y374 VanDerWaalsContact CG2-OH 3.32Å; I248-Y374 WeakPolarHBondContact CG2-OH 3.31Å
249	F	96	Very high	90.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-41.8	179.4	-171.5	-98.9	0	0	0	112.1	K245 E246 L247 Y251 L252 E253 A257 L258 E262 M265	K245-F249 WeakPolarHBondContact O-CB 3.41Å; K245-F249 PolarHBondContact O-N 3.42Å; E246-F249 PolarHBondContact O-N 3.23Å; L247-F249 VanDerWaalsContact C-N 3.29Å; L247-F249 PolarHBondContact O-N 2.75Å; F249-Y251 VanDerWaalsContact C-N 3.27Å; F249-Y251 PolarHBondContact O-N 3.45Å; F249-L252 CarbonylContact O-C 3.48Å; F249-L252 WeakPolarHBondContact O-CA 3.37Å; F249-L252 WeakPolarHBondContact O-CB 3.45Å; F249-L252 PolarHBondContact O-N 3.06Å; F249-E253 HydrophobicContact CD1-CG 4.05Å; F249-E253 HydrophobicContact CE1-CG 3.67Å; F249-E253 HydrophobicContact CZ-CG 4.28Å; F249-E253 PolarHBondContact O-N 2.96Å; F249-A257 HydrophobicContact CE2-CB 4.02Å; F249-A257 HydrophobicContact CZ-CB 4.25Å; F249-L258 WeakPolarHBondContact CZ-O 3.15Å; F249-E262 HydrophobicContact CD1-CB 4.04Å; F249-E262 HydrophobicContact CD1-CG 3.73Å; F249-E262 HydrophobicContact CD2-CB 4.25Å; F249-E262 HydrophobicContact CD2-CG 4.16Å; F249-E262 HydrophobicContact CE1-CB 3.68Å; F249-E262 HydrophobicContact CE1-CG 3.91Å; F249-E262 VanDerWaalsContact CE2-CA 3.42Å; F249-E262 HydrophobicContact CE2-CB 3.9Å; F249-E262 HydrophobicContact CE2-CG 4.31Å; F249-E262 HydrophobicContact CG-CB 4.32Å; F249-E262 HydrophobicContact CG-CG 3.86Å; F249-E262 HydrophobicContact CZ-CB 3.59Å; F249-E262 HydrophobicContact CZ-CG 4.19Å; F249-M265 HydrophobicContact CB-CG 4.3Å; F249-M265 HydrophobicContact CD2-CG 3.67Å; F249-M265 HydrophobicContact CD2-SD 4.26Å; F249-M265 HydrophobicContact CG-CG 4.35Å
250	K	94.3	Very high	92.3	Very high	134 Å²	134	52 Å²	52	58%	0.583	27%	0.266	S	S	*	.	H	α-helix	trans	-59.2	-35.5	173.4	-172	179.9	-180	-178	0	113	E246 L247 I248	E246-K250 PolarHBondContact O-N 3.38Å; L247-K250 WeakPolarHBondContact O-CB 3.29Å; L247-K250 PolarHBondContact O-N 3.46Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.21Å
251	Y	95.1	Very high	93	Very high	18 Å²	18	46.9 Å²	46.9	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-40.8	171.1	-57.5	-29.3	0	0	0	111.5	L234 L247 I248 F249 E253 N254 D372 F373 Y374 P375	L234-Y251 HydrophobicContact CD2-CE2 4.34Å; L247-Y251 HydrophobicContact CD1-CE1 3.88Å; L247-Y251 HydrophobicContact CD1-CE2 4.39Å; L247-Y251 HydrophobicContact CD2-CE2 4.29Å; L247-Y251 HydrophobicContact CG-CE1 4.26Å; L247-Y251 HydrophobicContact CG-CE2 3.87Å; L247-Y251 PolarHBondContact O-N 3.49Å; L247-Y251 VanDerWaalsContact O-N 3.16Å; I248-Y251 WeakPolarHBondContact O-CA 3.43Å; I248-Y251 WeakPolarHBondContact O-CB 3.35Å; I248-Y251 PolarHBondContact O-N 3.28Å; F249-Y251 VanDerWaalsContact C-N 3.27Å; F249-Y251 PolarHBondContact O-N 3.45Å; Y251-E253 VanDerWaalsContact C-N 3.35Å; Y251-E253 PolarHBondContact O-N 3.48Å; Y251-N254 WeakPolarHBondContact O-CB 3.26Å; Y251-N254 PolarHBondContact O-N 2.49Å; Y251-D372 WeakPolarHBondContact CD1-O 3.46Å; Y251-D372 WeakPolarHBondContact CE1-O 3.29Å; Y251-F373 VanDerWaalsContact O-CD2 3.3Å; Y251-F373 WeakPolarHBondContact O-CD2 3.47Å; Y251-F373 WeakPolarHBondContact O-CE2 3.08Å; Y251-Y374 HydrophobicContact CD2-CD1 4.08Å; Y251-Y374 AromaticContact CD2-CD2 3.63Å; Y251-Y374 HydrophobicContact CD2-CD2 3.63Å; Y251-Y374 HydrophobicContact CD2-CE1 4.25Å; Y251-Y374 AromaticContact CD2-CE2 3.78Å; Y251-Y374 HydrophobicContact CD2-CE2 3.78Å; Y251-Y374 AromaticContact CD2-CG 3.8Å; Y251-Y374 HydrophobicContact CD2-CG 3.8Å; Y251-Y374 HydrophobicContact CE2-CD1 4.21Å; Y251-Y374 HydrophobicContact CE2-CD2 4.45Å; Y251-Y374 HydrophobicContact CE2-CG 4.18Å; Y251-Y374 HydrophobicContact CG-CD2 4.15Å; Y251-Y374 HydrophobicContact CG-CE2 4.39Å; Y251-P375 VanDerWaalsContact OH-CD 3.23Å; Y251-P375 WeakPolarHBondContact OH-CD 3.45Å
252	L	97	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-32.4	179.8	-64.8	173.8	0	0	0	112.9	W162 M164 I248 F249 N254 V255 G256 A257 M265 I356 L359	W162-L252 HydrophobicContact CH2-CB 4.06Å; W162-L252 HydrophobicContact CH2-CD2 4.06Å; W162-L252 HydrophobicContact CZ2-CB 4.49Å; W162-L252 HydrophobicContact CZ2-CD1 4.43Å; W162-L252 HydrophobicContact CZ2-CD2 4.19Å; M164-L252 HydrophobicContact SD-CD1 4.38Å; I248-L252 HydrophobicContact CG2-CD1 3.88Å; I248-L252 HydrophobicContact CG2-CG 4.25Å; I248-L252 WeakPolarHBondContact O-CG 3.36Å; I248-L252 PolarHBondContact O-N 2.93Å; F249-L252 CarbonylContact O-C 3.48Å; F249-L252 WeakPolarHBondContact O-CA 3.37Å; F249-L252 WeakPolarHBondContact O-CB 3.45Å; F249-L252 PolarHBondContact O-N 3.06Å; L252-N254 PolarHBondContact O-N 2.86Å; L252-V255 HydrophobicContact CD2-CG2 4.38Å; L252-V255 CarbonylContact O-C 3.31Å; L252-V255 VanDerWaalsContact O-CG2 3.22Å; L252-V255 WeakPolarHBondContact O-CG2 3.4Å; L252-V255 PolarHBondContact O-N 3.3Å; L252-G256 PolarHBondContact O-N 2.93Å; L252-A257 HydrophobicContact CB-CB 3.8Å; L252-A257 WeakPolarHBondContact O-CB 3.04Å; L252-A257 PolarHBondContact O-N 3Å; L252-M265 HydrophobicContact CD1-SD 3.96Å; L252-I356 HydrophobicContact CD1-CD1 3.69Å; L252-I356 HydrophobicContact CD1-CG1 3.64Å; L252-I356 HydrophobicContact CD1-CG2 4.39Å; L252-I356 HydrophobicContact CD2-CB 4.49Å; L252-I356 HydrophobicContact CD2-CG1 3.96Å; L252-I356 HydrophobicContact CD2-CG2 4.26Å; L252-I356 HydrophobicContact CG-CG1 4.46Å; L252-L359 HydrophobicContact CD2-CD1 4.37Å
253	E	95.9	Very high	94.2	Very high	65 Å²	65	49.1 Å²	49.1	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-34.6	172.6	-70.6	-170.3	92.7	0	0	112.2	K148 F249 Y251 V255 G256 Q259	K148-E253 PolarHBondContact NZ-O 2.96Å; F249-E253 HydrophobicContact CD1-CG 4.05Å; F249-E253 HydrophobicContact CE1-CG 3.67Å; F249-E253 HydrophobicContact CZ-CG 4.28Å; F249-E253 PolarHBondContact O-N 2.96Å; Y251-E253 VanDerWaalsContact C-N 3.35Å; Y251-E253 PolarHBondContact O-N 3.48Å; E253-V255 PolarHBondContact O-N 3.07Å; E253-G256 PolarHBondContact O-N 3.28Å; E253-Q259 PolarHBondContact OE1-OE1 3.48Å
254	N	94	Very high	94.7	Very high	39 Å²	39	46.3 Å²	46.3	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-26.4	176	-75.5	-34.7	0	0	0	112.4	K148 Y251 L252 F370	K148-N254 WeakPolarHBondContact CD-O 3.27Å; K148-N254 WeakPolarHBondContact CE-O 3.4Å; K148-N254 VanDerWaalsContact CG-O 3.26Å; K148-N254 WeakPolarHBondContact CG-O 3.48Å; Y251-N254 WeakPolarHBondContact O-CB 3.26Å; Y251-N254 PolarHBondContact O-N 2.49Å; L252-N254 PolarHBondContact O-N 2.86Å; N254-F370 HydrophobicContact CB-CB 4.17Å; N254-F370 HydrophobicContact CB-CD1 3.77Å; N254-F370 HydrophobicContact CB-CE1 4.3Å; N254-F370 HydrophobicContact CB-CG 3.91Å; N254-F370 WeakPolarHBondContact O-CE1 3.24Å; N254-F370 WeakPolarHBondContact O-CE2 3.36Å; N254-F370 WeakPolarHBondContact O-CZ 3.33Å
255	V	95.6	Very high	95	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-108.9	5.6	-177.6	-62.1	0	0	0	0	113.8	I151 L252 E253 L359 L366 F370 F373	I151-V255 HydrophobicContact CD1-CB 4.31Å; I151-V255 HydrophobicContact CD1-CG1 4.08Å; I151-V255 HydrophobicContact CG2-CB 4.35Å; L252-V255 HydrophobicContact CD2-CG2 4.38Å; L252-V255 CarbonylContact O-C 3.31Å; L252-V255 VanDerWaalsContact O-CG2 3.22Å; L252-V255 WeakPolarHBondContact O-CG2 3.4Å; L252-V255 PolarHBondContact O-N 3.3Å; E253-V255 PolarHBondContact O-N 3.07Å; V255-L359 HydrophobicContact CG2-CD1 3.97Å; V255-L366 HydrophobicContact CG1-CD1 4.15Å; V255-L366 HydrophobicContact CG1-CD2 4.31Å; V255-F370 HydrophobicContact CG1-CD2 4.21Å; V255-F370 HydrophobicContact CG1-CE2 4.27Å; V255-F373 HydrophobicContact CB-CE2 4.45Å; V255-F373 HydrophobicContact CG1-CD2 3.86Å; V255-F373 HydrophobicContact CG1-CE2 3.68Å; V255-F373 HydrophobicContact CG1-CZ 4.33Å; V255-F373 HydrophobicContact CG2-CE2 3.84Å
256	G	94.9	Very high	95.2	Very high	21 Å²	21	48.3 Å²	48.3	22%	0.216	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.9	1.2	166	0	0	0	0	0	116.3	S165 L252 E253	S165-G256 VanDerWaalsContact CA-O 3.3Å; S165-G256 WeakPolarHBondContact CA-O 3.36Å; S165-G256 WeakPolarHBondContact CB-O 3.22Å; L252-G256 PolarHBondContact O-N 2.93Å; E253-G256 PolarHBondContact O-N 3.28Å
257	A	96.9	Very high	95.4	Very high	8 Å²	8	43.4 Å²	43.4	7%	0.066	23%	0.229	C	C	.	.			trans	-60.5	141.3	172	0	0	0	0	0	110.9	W162 M164 F249 L252	W162-A257 HydrophobicContact CH2-CB 3.72Å; W162-A257 HydrophobicContact CZ2-CB 4.32Å; W162-A257 HydrophobicContact CZ3-CB 4.26Å; M164-A257 HydrophobicContact CB-CB 4.25Å; F249-A257 HydrophobicContact CE2-CB 4.02Å; F249-A257 HydrophobicContact CZ-CB 4.25Å; L252-A257 HydrophobicContact CB-CB 3.8Å; L252-A257 WeakPolarHBondContact O-CB 3.04Å; L252-A257 PolarHBondContact O-N 3Å
258	L	96.6	Very high	95.6	Very high	62 Å²	62	41.1 Å²	41.1	33%	0.325	22%	0.217	S	C	.	.			trans	-96.7	131.1	177.3	-58	178.7	0	0	0	109.5	M164 N167 F249 T260 N261	M164-L258 PolarHBondContact O-N 3.19Å; N167-L258 HydrophobicContact CB-CD1 4.48Å; F249-L258 WeakPolarHBondContact CZ-O 3.15Å; L258-T260 PolarHBondContact O-N 2.98Å; L258-N261 WeakPolarHBondContact O-CB 3.39Å; L258-N261 PolarHBondContact O-N 3.02Å
259	Q	95.4	Very high	95.7	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-49.9	-35	178.2	-169.4	70.1	32.1	0	0	113.4	E253 N261 E262	E253-Q259 PolarHBondContact OE1-OE1 3.48Å; Q259-N261 PolarHBondContact O-N 3.16Å; Q259-N261 VanDerWaalsContact O-N 3.09Å; Q259-E262 PolarHBondContact NE2-OE2 2.87Å; Q259-E262 VanDerWaalsContact O-CB 3.3Å; Q259-E262 WeakPolarHBondContact O-CB 3.36Å; Q259-E262 PolarHBondContact O-N 3.33Å; Q259-E262 VanDerWaalsContact O-N 3.11Å
260	T	95	Very high	95.7	Very high	110 Å²	110	46.6 Å²	46.6	68%	0.675	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.4	-18.3	178.3	53.1	0	0	0	0	113.8	L258	L258-T260 PolarHBondContact O-N 2.98Å
261	N	95.9	Very high	95.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-104.8	8.6	-179	-59.7	-30.6	0	0	0	112.9	L163 M164 S166 Q171 L258 Q259 N263 M264	L163-N261 PolarHBondContact O-ND2 3.3Å; L163-N261 VanDerWaalsContact O-ND2 3.17Å; M164-N261 HydrophobicContact CB-CB 4.47Å; M164-N261 PolarHBondContact O-ND2 3.27Å; S166-N261 PolarHBondContact O-ND2 3.01Å; Q171-N261 PolarHBondContact NE2-ND2 3.45Å; Q171-N261 PolarHBondContact NE2-OD1 3Å; L258-N261 WeakPolarHBondContact O-CB 3.39Å; L258-N261 PolarHBondContact O-N 3.02Å; Q259-N261 PolarHBondContact O-N 3.16Å; Q259-N261 VanDerWaalsContact O-N 3.09Å; N261-N263 PolarHBondContact O-N 3.36Å; N261-M264 HydrophobicContact CB-CE 3.95Å; N261-M264 HydrophobicContact CB-CG 4.45Å; N261-M264 HydrophobicContact CB-SD 4.05Å; N261-M264 VanDerWaalsContact O-CB 3.31Å; N261-M264 WeakPolarHBondContact O-CB 3.32Å; N261-M264 WeakPolarHBondContact O-CG 3.49Å; N261-M264 PolarHBondContact O-N 2.96Å; N261-M264 VanDerWaalsContact O-N 3.08Å
262	E	95.4	Very high	95.8	Very high	64 Å²	64	39.7 Å²	39.7	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.4	179.6	-178.9	178.5	-156.7	0	0	112.8	F249 Q259 M264 M265	F249-E262 HydrophobicContact CD1-CB 4.04Å; F249-E262 HydrophobicContact CD1-CG 3.73Å; F249-E262 HydrophobicContact CD2-CB 4.25Å; F249-E262 HydrophobicContact CD2-CG 4.16Å; F249-E262 HydrophobicContact CE1-CB 3.68Å; F249-E262 HydrophobicContact CE1-CG 3.91Å; F249-E262 VanDerWaalsContact CE2-CA 3.42Å; F249-E262 HydrophobicContact CE2-CB 3.9Å; F249-E262 HydrophobicContact CE2-CG 4.31Å; F249-E262 HydrophobicContact CG-CB 4.32Å; F249-E262 HydrophobicContact CG-CG 3.86Å; F249-E262 HydrophobicContact CZ-CB 3.59Å; F249-E262 HydrophobicContact CZ-CG 4.19Å; Q259-E262 PolarHBondContact NE2-OE2 2.87Å; Q259-E262 VanDerWaalsContact O-CB 3.3Å; Q259-E262 WeakPolarHBondContact O-CB 3.36Å; Q259-E262 PolarHBondContact O-N 3.33Å; Q259-E262 VanDerWaalsContact O-N 3.11Å; E262-M264 PolarHBondContact O-N 3.46Å; E262-M264 VanDerWaalsContact O-N 3.07Å; E262-M265 VanDerWaalsContact O-CB 3.22Å; E262-M265 WeakPolarHBondContact O-CB 3.41Å; E262-M265 WeakPolarHBondContact O-CG 3.4Å; E262-M265 PolarHBondContact O-N 3.43Å
263	N	94.9	Very high	95.6	Very high	109 Å²	109	41.8 Å²	41.8	58%	0.583	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.1	177.3	65.1	-20.3	0	0	0	113.9	N261 M265 D266	N261-N263 PolarHBondContact O-N 3.36Å; N263-M265 PolarHBondContact O-N 3.29Å; N263-D266 PolarHBondContact O-N 2.52Å
264	M	95.7	Very high	95.5	Very high	29 Å²	29	41.4 Å²	41.4	14%	0.143	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-18.5	175.5	-59.7	-175.6	-173.4	0	0	112.5	L163 M164 N261 E262 D266 V268	L163-M264 HydrophobicContact CB-SD 3.96Å; M164-M264 HydrophobicContact CE-CB 3.83Å; M164-M264 HydrophobicContact CG-CB 4.38Å; M164-M264 HydrophobicContact CG-SD 4.2Å; N261-M264 HydrophobicContact CB-CE 3.95Å; N261-M264 HydrophobicContact CB-CG 4.45Å; N261-M264 HydrophobicContact CB-SD 4.05Å; N261-M264 VanDerWaalsContact O-CB 3.31Å; N261-M264 WeakPolarHBondContact O-CB 3.32Å; N261-M264 WeakPolarHBondContact O-CG 3.49Å; N261-M264 PolarHBondContact O-N 2.96Å; N261-M264 VanDerWaalsContact O-N 3.08Å; E262-M264 PolarHBondContact O-N 3.46Å; E262-M264 VanDerWaalsContact O-N 3.07Å; M264-D266 PolarHBondContact O-N 3.34Å; M264-V268 PolarHBondContact O-N 3.21Å
265	M	96.2	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-25.5	176.3	-69.5	-61.9	-57.6	0	0	113	M164 K245 I248 F249 L252 E262 N263 V268 F269 I356	M164-M265 HydrophobicContact CE-CG 3.97Å; M164-M265 HydrophobicContact CE-SD 3.29Å; M164-M265 WeakPolarHBondContact CE-SD 2.94Å; M164-M265 HydrophobicContact SD-SD 4.02Å; K245-M265 HydrophobicContact CD-CB 3.83Å; K245-M265 HydrophobicContact CG-CB 3.66Å; K245-M265 HydrophobicContact CG-CE 4.31Å; K245-M265 HydrophobicContact CG-CG 4.43Å; I248-M265 HydrophobicContact CG2-CE 3.91Å; F249-M265 HydrophobicContact CB-CG 4.3Å; F249-M265 HydrophobicContact CD2-CG 3.67Å; F249-M265 HydrophobicContact CD2-SD 4.26Å; F249-M265 HydrophobicContact CG-CG 4.35Å; L252-M265 HydrophobicContact CD1-SD 3.96Å; E262-M265 VanDerWaalsContact O-CB 3.22Å; E262-M265 WeakPolarHBondContact O-CB 3.41Å; E262-M265 WeakPolarHBondContact O-CG 3.4Å; E262-M265 PolarHBondContact O-N 3.43Å; N263-M265 PolarHBondContact O-N 3.29Å; M265-V268 PolarHBondContact O-N 3.21Å; M265-F269 HydrophobicContact CE-CD2 3.84Å; M265-F269 HydrophobicContact CE-CE2 3.51Å; M265-F269 PolarHBondContact O-N 3.11Å; M265-I356 HydrophobicContact CE-CD1 4.33Å; M265-I356 HydrophobicContact SD-CD1 3.9Å
266	D	96	Very high	95.4	Very high	89 Å²	89	41.7 Å²	41.7	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-60.8	-48.1	179.1	-69.2	-28.9	0	0	0	111.1	K245 N263 M264 V268 F269 E270	K245-D266 IonicContact NZ-OD1 3.9Å; K245-D266 PolarHBondContact NZ-OD1 3.47Å; N263-D266 PolarHBondContact O-N 2.52Å; M264-D266 PolarHBondContact O-N 3.34Å; D266-V268 VanDerWaalsContact C-N 3.34Å; D266-V268 PolarHBondContact O-N 2.95Å; D266-F269 PolarHBondContact O-N 2.93Å; D266-E270 PolarHBondContact O-N 2.82Å
267	G	96.2	Very high	95.2	Very high	10 Å²	10	45.5 Å²	45.5	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-32.1	177.3	0	0	0	0	0	113.6	L271 N349	G267-L271 PolarHBondContact O-N 3.36Å; G267-L271 VanDerWaalsContact O-N 3.13Å; G267-N349 VanDerWaalsContact CA-ND2 3.34Å; G267-N349 WeakPolarHBondContact CA-ND2 3.49Å; G267-N349 WeakPolarHBondContact CA-OD1 3.37Å; G267-N349 PolarHBondContact O-ND2 3.48Å
268	V	96.8	Very high	95	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-42.9	173.7	173.6	0	0	0	0	110.8	M164 F229 M264 M265 D266 L271 Y272 N352 M353 I356	M164-V268 HydrophobicContact CE-CG2 3.98Å; F229-V268 HydrophobicContact CD1-CG1 4.37Å; F229-V268 HydrophobicContact CE1-CG1 3.58Å; F229-V268 HydrophobicContact CZ-CG1 3.99Å; M264-V268 PolarHBondContact O-N 3.21Å; M265-V268 PolarHBondContact O-N 3.21Å; D266-V268 VanDerWaalsContact C-N 3.34Å; D266-V268 PolarHBondContact O-N 2.95Å; V268-L271 PolarHBondContact O-N 3.03Å; V268-Y272 WeakPolarHBondContact O-CB 3.32Å; V268-Y272 PolarHBondContact O-N 2.88Å; V268-N352 HydrophobicContact CG2-CB 3.62Å; V268-M353 HydrophobicContact CG1-CB 4.16Å; V268-I356 HydrophobicContact CG1-CD1 4.2Å
269	F	95.4	Very high	94.6	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-72	-32.7	179.3	-95.7	-103.2	0	0	0	113.4	F229 V244 K245 I248 M265 D266 Y272 S273	F229-F269 HydrophobicContact CD1-CE2 4.31Å; V244-F269 HydrophobicContact CB-CE1 4.48Å; V244-F269 HydrophobicContact CG1-CE1 4.3Å; V244-F269 HydrophobicContact CG1-CZ 4.14Å; K245-F269 HydrophobicContact CB-CD1 4.35Å; K245-F269 HydrophobicContact CB-CD2 3.93Å; K245-F269 HydrophobicContact CB-CE1 4.01Å; K245-F269 HydrophobicContact CB-CE2 3.56Å; K245-F269 HydrophobicContact CB-CG 4.3Å; K245-F269 HydrophobicContact CB-CZ 3.59Å; K245-F269 HydrophobicContact CD-CD2 4.17Å; K245-F269 HydrophobicContact CD-CG 4.43Å; K245-F269 HydrophobicContact CG-CD2 3.67Å; K245-F269 HydrophobicContact CG-CE2 3.63Å; K245-F269 HydrophobicContact CG-CG 4.28Å; K245-F269 HydrophobicContact CG-CZ 4.21Å; I248-F269 HydrophobicContact CD1-CE2 4.2Å; I248-F269 HydrophobicContact CD1-CZ 3.83Å; M265-F269 HydrophobicContact CE-CD2 3.84Å; M265-F269 HydrophobicContact CE-CE2 3.51Å; M265-F269 PolarHBondContact O-N 3.11Å; D266-F269 PolarHBondContact O-N 2.93Å; F269-Y272 HydrophobicContact CD1-CD1 4.15Å; F269-Y272 HydrophobicContact CE1-CD1 4.46Å; F269-S273 WeakPolarHBondContact O-CB 3.42Å; F269-S273 PolarHBondContact O-N 3.32Å; F269-S273 PolarHBondContact O-OG 2.95Å
270	E	95.7	Very high	94	Very high	102 Å²	102	45.3 Å²	45.3	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-50.1	169.2	-171.6	-169.2	136.2	0	0	110.4	D266 Y272 S273 E274 K340	D266-E270 PolarHBondContact O-N 2.82Å; E270-Y272 PolarHBondContact O-N 3.37Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.25Å; E270-E274 PolarHBondContact O-N 3.13Å; E270-E274 VanDerWaalsContact O-N 3.08Å; E270-K340 IonicContact OE1-NZ 3.37Å; E270-K340 PolarHBondContact OE1-NZ 3.42Å
271	L	96.3	Very high	92.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-44.5	177.6	178.4	58.6	0	0	0	112.4	G267 V268 S273 E274 L275 I336 K340 N349 I350 M353	G267-L271 PolarHBondContact O-N 3.36Å; G267-L271 VanDerWaalsContact O-N 3.13Å; V268-L271 PolarHBondContact O-N 3.03Å; L271-S273 VanDerWaalsContact C-N 3.29Å; L271-S273 PolarHBondContact O-N 2.88Å; L271-E274 PolarHBondContact O-N 3.05Å; L271-L275 HydrophobicContact CD1-CD1 3.97Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 2.85Å; L271-I336 HydrophobicContact CD1-CG2 3.88Å; L271-K340 HydrophobicContact CD1-CG 4.1Å; L271-N349 HydrophobicContact CD2-CB 4.17Å; L271-I350 HydrophobicContact CD2-CB 4.42Å; L271-I350 HydrophobicContact CD2-CG1 3.75Å; L271-M353 HydrophobicContact CD2-CB 4.4Å; L271-M353 HydrophobicContact CD2-SD 3.66Å; L271-M353 HydrophobicContact CG-SD 3.77Å
272	Y	95	Very high	90.8	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-43	174.5	158.4	-113.4	0	0	0	111.7	L226 F229 D230 V268 F269 E270 L275 K276	L226-Y272 HydrophobicContact CB-CD2 3.95Å; L226-Y272 HydrophobicContact CB-CE2 3.71Å; L226-Y272 HydrophobicContact CD1-CD2 3.9Å; L226-Y272 HydrophobicContact CD1-CE2 4Å; L226-Y272 HydrophobicContact CD2-CD2 4.28Å; L226-Y272 HydrophobicContact CG-CD2 4.27Å; L226-Y272 HydrophobicContact CG-CE2 4.39Å; F229-Y272 HydrophobicContact CB-CD1 4Å; F229-Y272 HydrophobicContact CB-CD2 3.53Å; F229-Y272 HydrophobicContact CB-CE1 4.02Å; F229-Y272 HydrophobicContact CB-CE2 3.59Å; F229-Y272 HydrophobicContact CB-CG 3.73Å; F229-Y272 HydrophobicContact CD2-CD2 4.2Å; F229-Y272 HydrophobicContact CG-CD2 4.1Å; F229-Y272 HydrophobicContact CG-CG 4.19Å; F229-Y272 PolarHBondContact O-OH 2.94Å; F229-Y272 VanDerWaalsContact O-OH 3.05Å; D230-Y272 WeakPolarHBondContact CA-OH 3.42Å; V268-Y272 WeakPolarHBondContact O-CB 3.32Å; V268-Y272 PolarHBondContact O-N 2.88Å; F269-Y272 HydrophobicContact CD1-CD1 4.15Å; F269-Y272 HydrophobicContact CE1-CD1 4.46Å; E270-Y272 PolarHBondContact O-N 3.37Å; Y272-L275 PolarHBondContact O-N 3.16Å; Y272-K276 HydrophobicContact CE1-CD 4.42Å; Y272-K276 HydrophobicContact CE2-CB 4.24Å; Y272-K276 HydrophobicContact CE2-CD 4.01Å; Y272-K276 VanDerWaalsContact O-CB 3.25Å; Y272-K276 WeakPolarHBondContact O-CB 3.31Å; Y272-K276 PolarHBondContact O-N 3.42Å; Y272-K276 PolarHBondContact OH-NZ 3.37Å
273	S	93.4	Very high	88.9	Confident	43 Å²	43	48.9 Å²	48.9	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-41.5	-179.8	-61.4	0	0	0	0	112.1	F269 E270 L271 N277	F269-S273 WeakPolarHBondContact O-CB 3.42Å; F269-S273 PolarHBondContact O-N 3.32Å; F269-S273 PolarHBondContact O-OG 2.95Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.25Å; L271-S273 VanDerWaalsContact C-N 3.29Å; L271-S273 PolarHBondContact O-N 2.88Å; S273-N277 VanDerWaalsContact O-CG 3.28Å; S273-N277 PolarHBondContact O-N 2.04Å; S273-N277 VanDerWaalsContact O-N 3.12Å; S273-N277 PolarHBondContact O-ND2 3.08Å
274	E	95.1	Very high	87	Confident	58 Å²	58	52 Å²	52	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-48.7	174	-70.5	178.1	-162.2	0	0	111.4	E270 L271 N277 A278 I336 K340	E270-E274 PolarHBondContact O-N 3.13Å; E270-E274 VanDerWaalsContact O-N 3.08Å; L271-E274 PolarHBondContact O-N 3.05Å; E274-N277 PolarHBondContact O-N 2.97Å; E274-A278 PolarHBondContact O-N 3.21Å; E274-I336 HydrophobicContact CB-CD1 4Å; E274-I336 HydrophobicContact CB-CG1 4.45Å; E274-I336 HydrophobicContact CB-CG2 4.26Å; E274-I336 WeakPolarHBondContact O-CD1 3.3Å; E274-I336 WeakPolarHBondContact OE2-CG2 3.46Å; E274-K340 VanDerWaalsContact CD-CE 3.48Å; E274-K340 WeakPolarHBondContact OE1-CE 3.39Å; E274-K340 IonicContact OE1-NZ 3.53Å; E274-K340 PolarHBondContact OE1-NZ 2.67Å; E274-K340 WeakPolarHBondContact OE2-CE 3.15Å; E274-K340 IonicContact OE2-NZ 3.72Å; E274-K340 PolarHBondContact OE2-NZ 3.34Å
275	L	94.5	Very high	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-41.1	179.7	-69.9	171.2	0	0	0	112.4	L202 L226 L271 Y272 N277 A278 Q279 T333 I336 M353	L202-L275 HydrophobicContact CD2-CD1 3.68Å; L202-L275 HydrophobicContact CD2-CD2 3.95Å; L226-L275 HydrophobicContact CD1-CB 4.1Å; L226-L275 HydrophobicContact CD2-CB 4.41Å; L271-L275 HydrophobicContact CD1-CD1 3.97Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 2.85Å; Y272-L275 PolarHBondContact O-N 3.16Å; L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.04Å; L275-A278 PolarHBondContact O-N 3.21Å; L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 WeakPolarHBondContact O-CG 3.09Å; L275-Q279 PolarHBondContact O-N 2.92Å; L275-T333 HydrophobicContact CD2-CG2 3.82Å; L275-I336 HydrophobicContact CD2-CB 4.47Å; L275-I336 HydrophobicContact CD2-CD1 4.38Å; L275-I336 HydrophobicContact CD2-CG2 4.11Å; L275-I336 HydrophobicContact CG-CG2 4.44Å; L275-M353 HydrophobicContact CD1-CE 3.32Å; L275-M353 HydrophobicContact CD1-SD 3.74Å
276	K	92.2	Very high	84.1	Confident	45 Å²	45	55.3 Å²	55.3	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-40.2	175.8	-174.7	171.6	-164.1	159.5	0	111.2	L226 D230 Y272 K280	L226-K276 HydrophobicContact CD1-CB 3.83Å; D230-K276 IonicContact OD1-NZ 2.72Å; D230-K276 PolarHBondContact OD1-NZ 3.45Å; Y272-K276 HydrophobicContact CE1-CD 4.42Å; Y272-K276 HydrophobicContact CE2-CB 4.24Å; Y272-K276 HydrophobicContact CE2-CD 4.01Å; Y272-K276 VanDerWaalsContact O-CB 3.25Å; Y272-K276 WeakPolarHBondContact O-CB 3.31Å; Y272-K276 PolarHBondContact O-N 3.42Å; Y272-K276 PolarHBondContact OH-NZ 3.37Å; K276-K280 HydrophobicContact CG-CD 4.4Å; K276-K280 WeakPolarHBondContact O-CB 3.49Å; K276-K280 WeakPolarHBondContact O-CG 3.5Å; K276-K280 PolarHBondContact O-N 2.87Å
277	N	91.7	Very high	83.2	Confident	102 Å²	102	55.4 Å²	55.4	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-70.5	-39.8	177	-70.8	-26.1	0	0	0	112	S273 E274 L275	S273-N277 VanDerWaalsContact O-CG 3.28Å; S273-N277 PolarHBondContact O-N 2.04Å; S273-N277 VanDerWaalsContact O-N 3.12Å; S273-N277 PolarHBondContact O-ND2 3.08Å; E274-N277 PolarHBondContact O-N 2.97Å; L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.04Å
278	A	90.9	Very high	82.6	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-42.4	175	0	0	0	0	0	112.9	E274 L275 T281 A329 S332 I336	E274-A278 PolarHBondContact O-N 3.21Å; L275-A278 PolarHBondContact O-N 3.21Å; A278-T281 PolarHBondContact O-OG1 2.81Å; A278-A329 WeakPolarHBondContact O-CA 3.5Å; A278-A329 WeakPolarHBondContact O-CB 2.99Å; A278-S332 VanDerWaalsContact CB-OG 3.27Å; A278-S332 WeakPolarHBondContact CB-OG 3.37Å; A278-I336 HydrophobicContact CB-CD1 3.6Å
279	Q	88.5	Confident	82.1	Confident	27 Å²	27	64.9 Å²	64.9	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-76.9	-23.6	-178.8	-68.7	175.7	-2.7	0	0	113.5	A201 G224 L226 L275 T281	A201-Q279 PolarHBondContact O-NE2 2.9Å; G224-Q279 PolarHBondContact O-OE1 2.89Å; L226-Q279 VanDerWaalsContact CD1-OE1 3.28Å; L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 WeakPolarHBondContact O-CG 3.09Å; L275-Q279 PolarHBondContact O-N 2.92Å; Q279-T281 PolarHBondContact O-N 3.37Å
280	K	82.4	Confident	81.7	Confident	129 Å²	129	64.9 Å²	64.9	56%	0.561	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.3	174.3	-89	175.7	-179.7	177.3	0	114.1	K276 I282	K276-K280 HydrophobicContact CG-CD 4.4Å; K276-K280 WeakPolarHBondContact O-CB 3.49Å; K276-K280 WeakPolarHBondContact O-CG 3.5Å; K276-K280 PolarHBondContact O-N 2.87Å; K280-I282 PolarHBondContact O-N 3.12Å
281	T	66.5	Low	81.3	Confident	46 Å²	46	64.1 Å²	64.1	28%	0.282	35%	0.353	S	S	.	.			trans	-69.4	68	174.6	-44.7	0	0	0	0	109.6	A278 Q279 V283 S326 E328	A278-T281 PolarHBondContact O-OG1 2.81Å; Q279-T281 PolarHBondContact O-N 3.37Å; T281-V283 VanDerWaalsContact C-N 3.33Å; T281-V283 HydrophobicContact CG2-CG2 4.28Å; T281-V283 PolarHBondContact O-N 3.48Å; T281-V283 VanDerWaalsContact O-N 3.13Å; T281-S326 PolarHBondContact O-OG 3.42Å; T281-E328 HydrophobicContact CG2-CG 4.08Å
282	I	58.4	Low	80.8	Confident	145 Å²	145	65.6 Å²	65.6	74%	0.744	36%	0.359	S	S	*	.			trans	-78.8	90.9	170.6	-58.5	172.1	0	0	0	105	K280	K280-I282 PolarHBondContact O-N 3.12Å
283	V	54.8	Low	80.5	Confident	66 Å²	66	71 Å²	71	40%	0.4	39%	0.389	S	S	.	.			trans	-74.5	134.7	159.9	-177.9	0	0	0	0	106.4	T281 S285 E328	T281-V283 VanDerWaalsContact C-N 3.33Å; T281-V283 HydrophobicContact CG2-CG2 4.28Å; T281-V283 PolarHBondContact O-N 3.48Å; T281-V283 VanDerWaalsContact O-N 3.13Å; V283-S285 PolarHBondContact O-N 2.89Å; V283-S285 PolarHBondContact O-OG 3.21Å; V283-E328 VanDerWaalsContact CG2-OE2 3.26Å; V283-E328 WeakPolarHBondContact CG2-OE2 3.46Å
284	D	56	Low	80.2	Confident	174 Å²	174	72 Å²	72	93%	0.93	39%	0.39	S	S	*	.	S	Bend	trans	-59	14.6	173	-122.4	-6.4	0	0	0	113.5	G286	D284-G286 PolarHBondContact O-N 3.35Å
285	S	61.7	Low	79.8	Confident	51 Å²	51	69.2 Å²	69.2	36%	0.357	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-75.7	118.9	172.3	49.5	0	0	0	0	108.6	V283	V283-S285 PolarHBondContact O-N 2.89Å; V283-S285 PolarHBondContact O-OG 3.21Å
286	G	68	Low	79.6	Confident	48 Å²	48	71.4 Å²	71.4	50%	0.495	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-57.1	171.5	167.7	0	0	0	0	0	112.3	D284 S288	D284-G286 PolarHBondContact O-N 3.35Å; G286-S288 PolarHBondContact O-N 2.87Å; G286-S288 PolarHBondContact O-OG 2.96Å
287	P	77.3	Confident	79.5	Confident	91 Å²	91	74.1 Å²	74.1	59%	0.591	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-54	129	-178.7	23.4	-33.6	0	0	0	110.8	I324	P287-I324 CarbonylContact C-O 3.58Å; P287-I324 WeakPolarHBondContact CA-O 3.32Å
288	S	83.2	Confident	79.4	Confident	45 Å²	45	70.7 Å²	70.7	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.8	-178.9	-65.6	0	0	0	0	110	G286 T323 I324	G286-S288 PolarHBondContact O-N 2.87Å; G286-S288 PolarHBondContact O-OG 2.96Å; S288-T323 CarbonylContact O-C 3.6Å; S288-T323 VanDerWaalsContact O-CA 3.3Å; S288-T323 WeakPolarHBondContact O-CA 3.41Å; S288-I324 PolarHBondContact N-O 2.93Å; S288-I324 PolarHBondContact O-N 2.91Å
289	R	86.8	Confident	79.5	Confident	164 Å²	164	70.5 Å²	70.5	62%	0.619	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.2	174.2	-69.2	-178	179.4	-152.8	-8	109.5	E321 F322 T323	R289-E321 IonicContact CZ-OE1 2.68Å; R289-E321 IonicContact CZ-OE2 2.72Å; R289-E321 IonicContact NE-OE2 3.52Å; R289-E321 IonicContact NH1-OE1 3.45Å; R289-E321 PolarHBondContact NH1-OE1 3.43Å; R289-E321 IonicContact NH1-OE2 2.67Å; R289-E321 PolarHBondContact NH1-OE2 2.99Å; R289-E321 IonicContact NH2-OE2 3.56Å; R289-E321 PolarHBondContact NH2-OE2 3.3Å; R289-F322 WeakPolarHBondContact CA-O 3.35Å; R289-T323 HydrophobicContact CG-CG2 4.26Å
290	I	87.4	Confident	79.6	Confident	14 Å²	14	72.9 Å²	72.9	7%	0.072	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.2	178.9	-172.6	156.7	0	0	0	109.9	L294 F322 I324	I290-L294 HydrophobicContact CD1-CB 4.23Å; I290-L294 HydrophobicContact CD1-CD2 4.01Å; I290-L294 HydrophobicContact CD1-CG 3.99Å; I290-L294 HydrophobicContact CG1-CB 3.89Å; I290-L294 HydrophobicContact CG1-CD2 3.93Å; I290-L294 HydrophobicContact CG1-CG 4.08Å; I290-F322 HydrophobicContact CG2-CB 3.62Å; I290-F322 PolarHBondContact N-O 2.79Å; I290-I324 HydrophobicContact CG2-CB 4.45Å
291	T	87.1	Confident	80.1	Confident	87 Å²	87	68.4 Å²	68.4	53%	0.534	39%	0.391	S	S	.	.			trans	-85.6	152.2	172.3	60.7	0	0	0	0	110.3	D293 L294 L295	T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 3.04Å; T291-L294 PolarHBondContact O-N 2.99Å; T291-L294 VanDerWaalsContact O-N 3.12Å; T291-L294 WeakPolarHBondContact OG1-CB 3.29Å; T291-L294 PolarHBondContact OG1-N 3.33Å; T291-L295 PolarHBondContact O-N 3.05Å
292	H	86	Confident	81.4	Confident	33 Å²	33	66.3 Å²	66.3	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-53.7	-44	173.5	-176.1	-99.2	0	0	0	112.1	L294 L295 T296 D305 F322	H292-L294 VanDerWaalsContact C-N 3.31Å; H292-L294 PolarHBondContact O-N 3.3Å; H292-L295 WeakPolarHBondContact O-CB 3.39Å; H292-L295 PolarHBondContact O-N 2.86Å; H292-T296 PolarHBondContact O-N 2.98Å; H292-T296 PolarHBondContact O-OG1 2.9Å; H292-D305 IonicContact CE1-OD1 2.84Å; H292-D305 PolarHBondContact CE1-OD1 2.87Å; H292-D305 IonicContact CE1-OD2 2.76Å; H292-D305 IonicContact NE2-OD1 3.62Å; H292-D305 PolarHBondContact NE2-OD1 3Å; H292-F322 HydrophobicContact CB-CD2 4.4Å; H292-F322 HydrophobicContact CB-CE2 3.86Å; H292-F322 AromaticContact CD2-CZ 3.93Å
293	D	87.5	Confident	83	Confident	119 Å²	119	62.9 Å²	62.9	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-60.5	-39	178.1	-65.5	-19.1	0	0	0	112.7	T291 T297	T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 3.04Å; D293-T297 VanDerWaalsContact O-CB 3.25Å; D293-T297 WeakPolarHBondContact O-CB 3.49Å; D293-T297 PolarHBondContact O-N 3.17Å; D293-T297 PolarHBondContact O-OG1 2.93Å
294	L	87.6	Confident	84.7	Confident	64 Å²	64	59.8 Å²	59.8	34%	0.335	34%	0.342	S	S	.	.	H	α-helix	trans	-70.5	-38.6	178.7	-172.6	61.9	0	0	0	111	I290 T291 H292 T297 N298	I290-L294 HydrophobicContact CD1-CB 4.23Å; I290-L294 HydrophobicContact CD1-CD2 4.01Å; I290-L294 HydrophobicContact CD1-CG 3.99Å; I290-L294 HydrophobicContact CG1-CB 3.89Å; I290-L294 HydrophobicContact CG1-CD2 3.93Å; I290-L294 HydrophobicContact CG1-CG 4.08Å; T291-L294 PolarHBondContact O-N 2.99Å; T291-L294 VanDerWaalsContact O-N 3.12Å; T291-L294 WeakPolarHBondContact OG1-CB 3.29Å; T291-L294 PolarHBondContact OG1-N 3.33Å; H292-L294 VanDerWaalsContact C-N 3.31Å; H292-L294 PolarHBondContact O-N 3.3Å; L294-T297 PolarHBondContact O-N 3.07Å; L294-N298 WeakPolarHBondContact O-CB 3.4Å; L294-N298 PolarHBondContact O-N 3.06Å
295	L	87.3	Confident	86.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-49	174.6	-176.8	66.2	0	0	0	111.4	I221 T291 H292 N298 C299 W304 F308 W330	I221-L295 HydrophobicContact CD1-CD1 3.76Å; I221-L295 HydrophobicContact CD1-CD2 3.71Å; I221-L295 HydrophobicContact CD1-CG 4.41Å; T291-L295 PolarHBondContact O-N 3.05Å; H292-L295 WeakPolarHBondContact O-CB 3.39Å; H292-L295 PolarHBondContact O-N 2.86Å; L295-N298 PolarHBondContact O-N 3.32Å; L295-C299 PolarHBondContact O-N 3.21Å; L295-W304 HydrophobicContact CD1-CD2 4.31Å; L295-W304 HydrophobicContact CD1-CH2 4.26Å; L295-W304 HydrophobicContact CD1-CZ2 4Å; L295-W304 HydrophobicContact CD2-CB 4.47Å; L295-W304 HydrophobicContact CD2-CD2 3.5Å; L295-W304 HydrophobicContact CD2-CE3 3.59Å; L295-W304 HydrophobicContact CD2-CG 3.89Å; L295-W304 HydrophobicContact CD2-CZ3 4.1Å; L295-W304 HydrophobicContact CG-CD2 3.68Å; L295-W304 HydrophobicContact CG-CE3 4.2Å; L295-W304 HydrophobicContact CG-CG 3.97Å; L295-W304 HydrophobicContact CG-CZ2 4.23Å; L295-F308 HydrophobicContact CD2-CE2 3.75Å; L295-F308 HydrophobicContact CD2-CZ 3.67Å; L295-W330 HydrophobicContact CD1-CZ2 3.83Å
296	T	90.3	Very high	87.7	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-39.6	178.1	-59.5	0	0	0	0	112.3	H292 C299 P300	H292-T296 PolarHBondContact O-N 2.98Å; H292-T296 PolarHBondContact O-OG1 2.9Å; T296-C299 CarbonylContact O-C 3.47Å; T296-P300 WeakPolarHBondContact O-CA 3.45Å; T296-P300 WeakPolarHBondContact O-CB 3.46Å
297	T	90.6	Very high	88.8	Confident	101 Å²	101	52.1 Å²	52.1	62%	0.62	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-42.3	178	-59.9	0	0	0	0	111.7	D293 L294	D293-T297 VanDerWaalsContact O-CB 3.25Å; D293-T297 WeakPolarHBondContact O-CB 3.49Å; D293-T297 PolarHBondContact O-N 3.17Å; D293-T297 PolarHBondContact O-OG1 2.93Å; L294-T297 PolarHBondContact O-N 3.07Å
298	N	88.8	Confident	89.3	Confident	31 Å²	31	47.8 Å²	47.8	17%	0.166	26%	0.26	C	S	.	.	H	α-helix	trans	-76.1	-33.6	-175.5	-74.2	-4.2	0	0	0	112.2	L294 L295 L331 R338	L294-N298 WeakPolarHBondContact O-CB 3.4Å; L294-N298 PolarHBondContact O-N 3.06Å; L295-N298 PolarHBondContact O-N 3.32Å; N298-L331 HydrophobicContact CB-CD2 3.63Å; N298-R338 PolarHBondContact O-NH2 3.22Å
299	C	92.5	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.			trans	-134.4	67.8	-179.1	-157.5	0	0	0	0	113.1	L295 T296 I301 I302 W304 W330 C334	L295-C299 PolarHBondContact O-N 3.21Å; T296-C299 CarbonylContact O-C 3.47Å; C299-I301 PolarHBondContact O-N 3.38Å; C299-I302 PolarHBondContact O-N 3.21Å; C299-W304 HydrophobicContact CB-CZ2 4.44Å; C299-W304 PolarHBondContact O-NE1 3.46Å; C299-W330 HydrophobicContact CB-CH2 4.3Å; C299-W330 HydrophobicContact CB-CZ2 3.47Å; C299-W330 VanDerWaalsContact CB-CZ2 3.47Å; C299-C334 HydrophobicContact CB-CB 3.77Å; C299-C334 WeakPolarHBondContact CB-SG 3.38Å; C299-C334 WeakPolarHBondContact SG-CB 3.43Å; C299-C334 CovalentContact SG-SG 2.03Å; C299-C334 PolarHBondContact SG-SG 2.76Å
300	P	92.3	Very high	89.3	Confident	76 Å²	76	46 Å²	46	49%	0.494	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.9	-175.6	30.7	-37.1	0	0	0	114.1	T296	T296-P300 WeakPolarHBondContact O-CA 3.45Å; T296-P300 WeakPolarHBondContact O-CB 3.46Å
301	I	92.3	Very high	89	Confident	36 Å²	36	45.8 Å²	45.8	19%	0.185	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.2	177.3	-59.4	154.5	0	0	0	110.5	V186 C299 L337 R338 V341	V186-I301 HydrophobicContact CB-CG2 3.95Å; V186-I301 HydrophobicContact CG1-CG2 4.42Å; V186-I301 HydrophobicContact CG2-CG2 3.61Å; C299-I301 PolarHBondContact O-N 3.38Å; I301-L337 HydrophobicContact CD1-CB 4.25Å; I301-R338 HydrophobicContact CD1-CB 3.46Å; I301-R338 VanDerWaalsContact CD1-CB 3.46Å; I301-R338 HydrophobicContact CD1-CG 3.82Å; I301-R338 VanDerWaalsContact CD1-N 3.28Å; I301-R338 HydrophobicContact CG1-CG 4.4Å; I301-V341 HydrophobicContact CG2-CG2 4.11Å
302	I	93.1	Very high	88.5	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	-95.7	123.9	172.5	-63.1	163.5	0	0	0	106.4	V186 F203 C299 W304 L307 W330	V186-I302 HydrophobicContact CG1-CG1 4.18Å; F203-I302 HydrophobicContact CD1-CD1 4.2Å; F203-I302 HydrophobicContact CE1-CD1 3.57Å; F203-I302 HydrophobicContact CZ-CD1 4.32Å; C299-I302 PolarHBondContact O-N 3.21Å; I302-W304 HydrophobicContact CB-CD2 4.46Å; I302-W304 HydrophobicContact CB-CZ2 3.78Å; I302-W304 HydrophobicContact CD1-CH2 4.07Å; I302-W304 HydrophobicContact CD1-CZ2 3.65Å; I302-W304 HydrophobicContact CG1-CZ2 4.33Å; I302-W304 HydrophobicContact CG2-CD2 3.87Å; I302-W304 HydrophobicContact CG2-CE3 4.15Å; I302-W304 HydrophobicContact CG2-CG 4.37Å; I302-W304 HydrophobicContact CG2-CH2 4.09Å; I302-W304 HydrophobicContact CG2-CZ2 3.7Å; I302-W304 HydrophobicContact CG2-CZ3 4.3Å; I302-W304 PolarHBondContact O-N 3.31Å; I302-W304 VanDerWaalsContact O-N 3.13Å; I302-W304 PolarHBondContact O-NE1 2.93Å; I302-L307 HydrophobicContact CG2-CD1 3.76Å; I302-W330 HydrophobicContact CD1-CH2 3.99Å
303	D	93.6	Very high	87.6	Confident	73 Å²	73	45.5 Å²	45.5	39%	0.39	24%	0.243	S	C	.	.			trans	-80.7	88.8	171.7	-172.9	-27.4	0	0	0	107.8	T187 D305 V306 L307	T187-D303 HydrophobicContact CG2-CB 4.21Å; T187-D303 WeakPolarHBondContact CG2-O 3.45Å; T187-D303 PolarHBondContact OG1-N 3.22Å; D303-D305 VanDerWaalsContact C-N 3.3Å; D303-D305 PolarHBondContact O-N 3.28Å; D303-D305 PolarHBondContact OD1-N 3.2Å; D303-V306 HydrophobicContact CB-CB 4.12Å; D303-V306 HydrophobicContact CB-CG2 4.35Å; D303-V306 PolarHBondContact O-N 3.12Å; D303-V306 WeakPolarHBondContact OD1-CB 3.32Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.33Å; D303-V306 PolarHBondContact OD1-N 3.47Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.49Å; D303-L307 VanDerWaalsContact O-CB 3.31Å; D303-L307 WeakPolarHBondContact O-CB 3.32Å; D303-L307 PolarHBondContact O-N 2.87Å
304	W	90.5	Very high	86.4	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-37.5	-175.7	-67.1	98.3	0	0	0	112.8	F203 I221 L295 C299 I302 L307 F308 W330	F203-W304 HydrophobicContact CD2-CH2 4.47Å; F203-W304 HydrophobicContact CE1-CH2 4.3Å; F203-W304 HydrophobicContact CE2-CH2 4.19Å; F203-W304 HydrophobicContact CE2-CZ3 4.13Å; F203-W304 HydrophobicContact CZ-CH2 4.1Å; F203-W304 HydrophobicContact CZ-CZ3 4.28Å; I221-W304 HydrophobicContact CD1-CZ3 4.43Å; L295-W304 HydrophobicContact CD1-CD2 4.31Å; L295-W304 HydrophobicContact CD1-CH2 4.26Å; L295-W304 HydrophobicContact CD1-CZ2 4Å; L295-W304 HydrophobicContact CD2-CB 4.47Å; L295-W304 HydrophobicContact CD2-CD2 3.5Å; L295-W304 HydrophobicContact CD2-CE3 3.59Å; L295-W304 HydrophobicContact CD2-CG 3.89Å; L295-W304 HydrophobicContact CD2-CZ3 4.1Å; L295-W304 HydrophobicContact CG-CD2 3.68Å; L295-W304 HydrophobicContact CG-CE3 4.2Å; L295-W304 HydrophobicContact CG-CG 3.97Å; L295-W304 HydrophobicContact CG-CZ2 4.23Å; C299-W304 HydrophobicContact CB-CZ2 4.44Å; C299-W304 PolarHBondContact O-NE1 3.46Å; I302-W304 HydrophobicContact CB-CD2 4.46Å; I302-W304 HydrophobicContact CB-CZ2 3.78Å; I302-W304 HydrophobicContact CD1-CH2 4.07Å; I302-W304 HydrophobicContact CD1-CZ2 3.65Å; I302-W304 HydrophobicContact CG1-CZ2 4.33Å; I302-W304 HydrophobicContact CG2-CD2 3.87Å; I302-W304 HydrophobicContact CG2-CE3 4.15Å; I302-W304 HydrophobicContact CG2-CG 4.37Å; I302-W304 HydrophobicContact CG2-CH2 4.09Å; I302-W304 HydrophobicContact CG2-CZ2 3.7Å; I302-W304 HydrophobicContact CG2-CZ3 4.3Å; I302-W304 PolarHBondContact O-N 3.31Å; I302-W304 VanDerWaalsContact O-N 3.13Å; I302-W304 PolarHBondContact O-NE1 2.93Å; W304-L307 PolarHBondContact O-N 3.35Å; W304-F308 HydrophobicContact CB-CD2 4.19Å; W304-F308 HydrophobicContact CB-CE2 3.94Å; W304-F308 HydrophobicContact CD2-CE2 4.43Å; W304-F308 HydrophobicContact CD2-CZ 4.31Å; W304-F308 AromaticContact CE3-CE1 3.8Å; W304-F308 HydrophobicContact CE3-CE1 3.8Å; W304-F308 AromaticContact CE3-CE2 3.85Å; W304-F308 HydrophobicContact CE3-CE2 3.85Å; W304-F308 AromaticContact CE3-CZ 3.36Å; W304-F308 HydrophobicContact CE3-CZ 3.36Å; W304-F308 HydrophobicContact CZ3-CE1 4.14Å; W304-F308 AromaticContact CZ3-CZ 3.93Å; W304-F308 HydrophobicContact CZ3-CZ 3.93Å; W304-F308 WeakPolarHBondContact O-CB 3.37Å; W304-F308 WeakPolarHBondContact O-CD2 3.38Å; W304-F308 VanDerWaalsContact O-CG 3.25Å; W304-F308 WeakPolarHBondContact O-CG 3.18Å; W304-F308 PolarHBondContact O-N 3.26Å; W304-W330 AromaticContact CH2-CH2 3.35Å; W304-W330 HydrophobicContact CH2-CH2 3.35Å; W304-W330 AromaticContact CH2-CZ2 3.68Å; W304-W330 HydrophobicContact CH2-CZ2 3.68Å; W304-W330 HydrophobicContact CH2-CZ3 4.34Å; W304-W330 AromaticContact CZ2-CH2 3.21Å; W304-W330 HydrophobicContact CZ2-CH2 3.21Å; W304-W330 AromaticContact CZ2-CZ2 3.2Å; W304-W330 HydrophobicContact CZ2-CZ2 3.2Å; W304-W330 HydrophobicContact CZ2-CZ3 4.49Å
305	D	89.7	Confident	84.8	Confident	53 Å²	53	48 Å²	48	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-42.7	178.3	-77.8	-56	0	0	0	111.7	H292 D303 R309 Y317	H292-D305 IonicContact CE1-OD1 2.84Å; H292-D305 PolarHBondContact CE1-OD1 2.87Å; H292-D305 IonicContact CE1-OD2 2.76Å; H292-D305 IonicContact NE2-OD1 3.62Å; H292-D305 PolarHBondContact NE2-OD1 3Å; D303-D305 VanDerWaalsContact C-N 3.3Å; D303-D305 PolarHBondContact O-N 3.28Å; D303-D305 PolarHBondContact OD1-N 3.2Å; D305-R309 WeakPolarHBondContact O-CB 3.41Å; D305-R309 PolarHBondContact O-N 3.05Å; D305-R309 VanDerWaalsContact O-N 3.15Å; D305-Y317 PolarHBondContact OD1-OH 3.12Å
306	V	89.9	Confident	83.7	Confident	58 Å²	58	50.3 Å²	50.3	35%	0.352	27%	0.268	S	S	.	.	H	α-helix	trans	-66.4	-43.9	173.8	170.7	0	0	0	0	110.3	T187 D303 N310	T187-V306 HydrophobicContact CG2-CG1 4.47Å; D303-V306 HydrophobicContact CB-CB 4.12Å; D303-V306 HydrophobicContact CB-CG2 4.35Å; D303-V306 PolarHBondContact O-N 3.12Å; D303-V306 WeakPolarHBondContact OD1-CB 3.32Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.33Å; D303-V306 PolarHBondContact OD1-N 3.47Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.49Å; V306-N310 VanDerWaalsContact O-CB 3.24Å; V306-N310 WeakPolarHBondContact O-CB 3.39Å; V306-N310 PolarHBondContact O-N 2.76Å; V306-N310 PolarHBondContact O-ND2 3.21Å
307	L	90.3	Very high	82.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-51.9	-178.5	-168.4	149	0	0	0	112.1	T187 L194 F203 L205 I302 D303 W304 N310 V311	T187-L307 HydrophobicContact CG2-CB 3.86Å; T187-L307 HydrophobicContact CG2-CD1 4.16Å; T187-L307 HydrophobicContact CG2-CG 4.44Å; L194-L307 HydrophobicContact CD1-CD1 3.6Å; L194-L307 HydrophobicContact CD1-CD2 4.09Å; L194-L307 HydrophobicContact CD1-CG 4Å; F203-L307 HydrophobicContact CE2-CD1 4.29Å; F203-L307 HydrophobicContact CZ-CD1 3.74Å; L205-L307 HydrophobicContact CD1-CD2 3.52Å; I302-L307 HydrophobicContact CG2-CD1 3.76Å; D303-L307 VanDerWaalsContact O-CB 3.31Å; D303-L307 WeakPolarHBondContact O-CB 3.32Å; D303-L307 PolarHBondContact O-N 2.87Å; W304-L307 PolarHBondContact O-N 3.35Å; L307-N310 PolarHBondContact O-N 3.12Å; L307-V311 HydrophobicContact CD2-CG2 4.07Å; L307-V311 WeakPolarHBondContact O-CB 3.33Å; L307-V311 WeakPolarHBondContact O-CG2 3.05Å; L307-V311 PolarHBondContact O-N 3.25Å
308	F	87.9	Confident	81.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.2	-38.4	-178	-65.9	-33.7	0	0	0	112.3	L205 L295 W304 N310 V311 F312 Y317 F322	L205-F308 HydrophobicContact CD1-CD1 4.36Å; L205-F308 HydrophobicContact CD1-CE1 4.05Å; L205-F308 HydrophobicContact CD2-CE1 4.21Å; L295-F308 HydrophobicContact CD2-CE2 3.75Å; L295-F308 HydrophobicContact CD2-CZ 3.67Å; W304-F308 HydrophobicContact CB-CD2 4.19Å; W304-F308 HydrophobicContact CB-CE2 3.94Å; W304-F308 HydrophobicContact CD2-CE2 4.43Å; W304-F308 HydrophobicContact CD2-CZ 4.31Å; W304-F308 AromaticContact CE3-CE1 3.8Å; W304-F308 HydrophobicContact CE3-CE1 3.8Å; W304-F308 AromaticContact CE3-CE2 3.85Å; W304-F308 HydrophobicContact CE3-CE2 3.85Å; W304-F308 AromaticContact CE3-CZ 3.36Å; W304-F308 HydrophobicContact CE3-CZ 3.36Å; W304-F308 HydrophobicContact CZ3-CE1 4.14Å; W304-F308 AromaticContact CZ3-CZ 3.93Å; W304-F308 HydrophobicContact CZ3-CZ 3.93Å; W304-F308 WeakPolarHBondContact O-CB 3.37Å; W304-F308 WeakPolarHBondContact O-CD2 3.38Å; W304-F308 VanDerWaalsContact O-CG 3.25Å; W304-F308 WeakPolarHBondContact O-CG 3.18Å; W304-F308 PolarHBondContact O-N 3.26Å; F308-N310 VanDerWaalsContact C-N 3.27Å; F308-N310 PolarHBondContact O-N 2.91Å; F308-V311 PolarHBondContact O-N 3.06Å; F308-F312 HydrophobicContact CB-CD2 4.05Å; F308-F312 HydrophobicContact CB-CE2 4.47Å; F308-F312 HydrophobicContact CD1-CD2 4.11Å; F308-F312 AromaticContact CD1-CE2 3.66Å; F308-F312 HydrophobicContact CD1-CE2 3.66Å; F308-F312 HydrophobicContact CE1-CE2 4.28Å; F308-F312 HydrophobicContact CG-CD2 4.42Å; F308-F312 HydrophobicContact CG-CE2 4.37Å; F308-F312 WeakPolarHBondContact O-CB 3.31Å; F308-F312 WeakPolarHBondContact O-CD2 3.35Å; F308-F312 PolarHBondContact O-N 3.4Å; F308-Y317 HydrophobicContact CB-CD1 4.08Å; F308-Y317 HydrophobicContact CB-CD2 3.62Å; F308-Y317 HydrophobicContact CB-CE1 4.27Å; F308-Y317 HydrophobicContact CB-CE2 3.83Å; F308-Y317 HydrophobicContact CB-CG 3.78Å; F308-Y317 AromaticContact CD2-CD2 3.91Å; F308-Y317 HydrophobicContact CD2-CD2 3.91Å; F308-Y317 AromaticContact CD2-CE2 3.98Å; F308-Y317 HydrophobicContact CD2-CE2 3.98Å; F308-Y317 HydrophobicContact CG-CD2 4.15Å; F308-Y317 HydrophobicContact CG-CE2 4.41Å; F308-F322 AromaticContact CD2-CE1 3.94Å; F308-F322 HydrophobicContact CD2-CE1 3.94Å; F308-F322 HydrophobicContact CD2-CZ 4.19Å; F308-F322 HydrophobicContact CE1-CE1 4.34Å; F308-F322 HydrophobicContact CE2-CD1 4.16Å; F308-F322 AromaticContact CE2-CE1 3.33Å; F308-F322 HydrophobicContact CE2-CE1 3.33Å; F308-F322 AromaticContact CE2-CZ 3.86Å; F308-F322 HydrophobicContact CE2-CZ 3.86Å; F308-F322 HydrophobicContact CZ-CD1 4.05Å; F308-F322 AromaticContact CZ-CE1 3.54Å; F308-F322 HydrophobicContact CZ-CE1 3.54Å; F308-F322 HydrophobicContact CZ-CZ 4.49Å
309	R	85.8	Confident	81.1	Confident	104 Å²	104	54.6 Å²	54.6	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-39.6	172.7	-169	-171.6	-38.8	-88.4	-12.6	112	D305 E313 E315 Y317	D305-R309 WeakPolarHBondContact O-CB 3.41Å; D305-R309 PolarHBondContact O-N 3.05Å; D305-R309 VanDerWaalsContact O-N 3.15Å; R309-E313 VanDerWaalsContact O-CA 3.24Å; R309-E313 WeakPolarHBondContact O-CA 3.3Å; R309-E313 PolarHBondContact O-N 3.2Å; R309-E315 IonicContact NH1-OE1 3.37Å; R309-Y317 HydrophobicContact CB-CE1 4.27Å
310	N	84.1	Confident	80.4	Confident	68 Å²	68	56 Å²	56	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-73.7	-40.4	179.5	-77	-13.7	0	0	0	112.7	F195 V306 L307 F308	F195-N310 VanDerWaalsContact CE1-O 3.26Å; F195-N310 WeakPolarHBondContact CE1-O 3.43Å; F195-N310 HydrophobicContact CZ-CB 3.93Å; F195-N310 WeakPolarHBondContact CZ-O 3.38Å; V306-N310 VanDerWaalsContact O-CB 3.24Å; V306-N310 WeakPolarHBondContact O-CB 3.39Å; V306-N310 PolarHBondContact O-N 2.76Å; V306-N310 PolarHBondContact O-ND2 3.21Å; L307-N310 PolarHBondContact O-N 3.12Å; F308-N310 VanDerWaalsContact C-N 3.27Å; F308-N310 PolarHBondContact O-N 2.91Å
311	V	82.3	Confident	80	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-77	-41.8	-178.4	172.9	0	0	0	0	111.9	F195 L307 F308 L496	F195-V311 HydrophobicContact CE1-CG2 4.27Å; L307-V311 HydrophobicContact CD2-CG2 4.07Å; L307-V311 WeakPolarHBondContact O-CB 3.33Å; L307-V311 WeakPolarHBondContact O-CG2 3.05Å; L307-V311 PolarHBondContact O-N 3.25Å; F308-V311 PolarHBondContact O-N 3.06Å; V311-L496 HydrophobicContact CG1-CD1 3.84Å
312	F	76.6	Confident	79.8	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-102.5	-6.1	-172.8	-59.2	-66.6	0	0	0	114.4	L207 I219 F308 N314 F497	L207-F312 HydrophobicContact CB-CE1 4.38Å; I219-F312 HydrophobicContact CD1-CD2 3.96Å; I219-F312 HydrophobicContact CD1-CE2 3.39Å; I219-F312 HydrophobicContact CD1-CZ 3.73Å; I219-F312 HydrophobicContact CG1-CE2 4.05Å; I219-F312 HydrophobicContact CG1-CZ 3.85Å; I219-F312 HydrophobicContact CG2-CZ 4.23Å; F308-F312 HydrophobicContact CB-CD2 4.05Å; F308-F312 HydrophobicContact CB-CE2 4.47Å; F308-F312 HydrophobicContact CD1-CD2 4.11Å; F308-F312 AromaticContact CD1-CE2 3.66Å; F308-F312 HydrophobicContact CD1-CE2 3.66Å; F308-F312 HydrophobicContact CE1-CE2 4.28Å; F308-F312 HydrophobicContact CG-CD2 4.42Å; F308-F312 HydrophobicContact CG-CE2 4.37Å; F308-F312 WeakPolarHBondContact O-CB 3.31Å; F308-F312 WeakPolarHBondContact O-CD2 3.35Å; F308-F312 PolarHBondContact O-N 3.4Å; F312-N314 WeakPolarHBondContact O-CB 3.34Å; F312-N314 PolarHBondContact O-N 2.93Å; F312-F497 HydrophobicContact CB-CE1 4.26Å; F312-F497 HydrophobicContact CD1-CE1 4.26Å; F312-F497 VanDerWaalsContact O-CE1 3.23Å; F312-F497 WeakPolarHBondContact O-CE1 3.48Å; F312-F497 VanDerWaalsContact O-CZ 3.31Å; F312-F497 WeakPolarHBondContact O-CZ 3.44Å
313	E	67.9	Low	79.6	Confident	108 Å²	108	55.3 Å²	55.3	51%	0.505	28%	0.278	S	S	.	.			trans	49.3	9.1	175.5	-71.4	-175.1	160.6	0	0	116.9	R309 K493	R309-E313 VanDerWaalsContact O-CA 3.24Å; R309-E313 WeakPolarHBondContact O-CA 3.3Å; R309-E313 PolarHBondContact O-N 3.2Å; E313-K493 IonicContact OE1-NZ 3.18Å; E313-K493 PolarHBondContact OE1-NZ 3.21Å; E313-K493 IonicContact OE2-NZ 3.77Å; E313-K493 PolarHBondContact OE2-NZ 3.49Å
314	N	61.3	Low	79.3	Confident	95 Å²	95	52 Å²	52	51%	0.508	26%	0.26	S	S	.	.	S	Bend	trans	-136.2	126.2	-172	-153.3	-0.9	0	0	0	108.3	F312 S316 Y317	F312-N314 WeakPolarHBondContact O-CB 3.34Å; F312-N314 PolarHBondContact O-N 2.93Å; N314-S316 PolarHBondContact ND2-OG 2.83Å; N314-S316 PolarHBondContact O-N 3.27Å; N314-S316 PolarHBondContact OD1-OG 2.96Å; N314-Y317 WeakPolarHBondContact O-CD1 3.34Å; N314-Y317 PolarHBondContact O-N 3.24Å
315	E	54.3	Low	79.1	Confident	140 Å²	140	56.5 Å²	56.5	65%	0.654	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.5	-12.1	176.3	-60.9	-163.9	151.7	0	0	112.6	R309 Y317 N318	R309-E315 IonicContact NH1-OE1 3.37Å; E315-Y317 PolarHBondContact O-N 2.84Å; E315-Y317 VanDerWaalsContact O-N 3.11Å; E315-N318 PolarHBondContact O-N 2.9Å; E315-N318 PolarHBondContact O-ND2 2.73Å
316	S	64.2	Low	78.9	Confident	48 Å²	48	54.5 Å²	54.5	34%	0.336	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57.4	-15.8	171.9	-52.5	0	0	0	0	114.1	N314 N318 Q319	N314-S316 PolarHBondContact ND2-OG 2.83Å; N314-S316 PolarHBondContact O-N 3.27Å; N314-S316 PolarHBondContact OD1-OG 2.96Å; S316-N318 PolarHBondContact O-N 3.23Å; S316-Q319 WeakPolarHBondContact O-CB 3.47Å; S316-Q319 PolarHBondContact O-N 2.96Å
317	Y	72.9	Confident	78.6	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.016	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58.3	-30.7	174.5	80.3	-95.8	0	0	0	112.2	D305 F308 R309 N314 E315 Q319 L320 F322	D305-Y317 PolarHBondContact OD1-OH 3.12Å; F308-Y317 HydrophobicContact CB-CD1 4.08Å; F308-Y317 HydrophobicContact CB-CD2 3.62Å; F308-Y317 HydrophobicContact CB-CE1 4.27Å; F308-Y317 HydrophobicContact CB-CE2 3.83Å; F308-Y317 HydrophobicContact CB-CG 3.78Å; F308-Y317 AromaticContact CD2-CD2 3.91Å; F308-Y317 HydrophobicContact CD2-CD2 3.91Å; F308-Y317 AromaticContact CD2-CE2 3.98Å; F308-Y317 HydrophobicContact CD2-CE2 3.98Å; F308-Y317 HydrophobicContact CG-CD2 4.15Å; F308-Y317 HydrophobicContact CG-CE2 4.41Å; R309-Y317 HydrophobicContact CB-CE1 4.27Å; N314-Y317 WeakPolarHBondContact O-CD1 3.34Å; N314-Y317 PolarHBondContact O-N 3.24Å; E315-Y317 PolarHBondContact O-N 2.84Å; E315-Y317 VanDerWaalsContact O-N 3.11Å; Y317-Q319 PolarHBondContact O-N 3.13Å; Y317-Q319 VanDerWaalsContact O-N 3.14Å; Y317-L320 WeakPolarHBondContact O-CB 3.44Å; Y317-L320 PolarHBondContact O-N 2.96Å; Y317-F322 HydrophobicContact CD2-CZ 4.42Å
318	N	69.9	Low	78.5	Confident	95 Å²	95	60.7 Å²	60.7	51%	0.508	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-63.1	-18.2	176.1	-70.6	-41.9	0	0	0	113.3	E315 S316	E315-N318 PolarHBondContact O-N 2.9Å; E315-N318 PolarHBondContact O-ND2 2.73Å; S316-N318 PolarHBondContact O-N 3.23Å
319	Q	72.4	Confident	78.5	Confident	169 Å²	169	60.7 Å²	60.7	79%	0.79	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-93.4	-8.1	176.5	-57.8	-179.5	-7.6	0	0	112.5	S316 Y317	S316-Q319 WeakPolarHBondContact O-CB 3.47Å; S316-Q319 PolarHBondContact O-N 2.96Å; Y317-Q319 PolarHBondContact O-N 3.13Å; Y317-Q319 VanDerWaalsContact O-N 3.14Å
320	L	78.2	Confident	78.6	Confident	29 Å²	29	56.3 Å²	56.3	15%	0.152	28%	0.28	C	S	.	.	S	Bend	trans	-83.2	142.9	-178.6	-57.6	178.1	0	0	0	110.4	L207 Q217 I219 Y317 F322	L207-L320 HydrophobicContact CD1-CD1 3.8Å; Q217-L320 HydrophobicContact CB-CD2 3.55Å; Q217-L320 WeakPolarHBondContact O-CD2 3.37Å; I219-L320 HydrophobicContact CD1-CB 4.39Å; I219-L320 HydrophobicContact CD1-CD1 3.73Å; I219-L320 HydrophobicContact CG1-CD1 3.91Å; Y317-L320 WeakPolarHBondContact O-CB 3.44Å; Y317-L320 PolarHBondContact O-N 2.96Å; L320-F322 WeakPolarHBondContact O-CE2 3.38Å
321	E	83.1	Confident	78.9	Confident	79 Å²	79	55.6 Å²	55.6	37%	0.369	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	152.5	166.1	-64.5	-168.9	158.3	0	0	109.8	F218 I219 R289	F218-E321 CarbonylContact C-O 3.54Å; F218-E321 WeakPolarHBondContact CA-O 3.3Å; F218-E321 HydrophobicContact CB-CB 4.01Å; F218-E321 VanDerWaalsContact CB-O 3.23Å; F218-E321 WeakPolarHBondContact CB-O 3.4Å; I219-E321 PolarHBondContact N-O 3.42Å; R289-E321 IonicContact CZ-OE1 2.68Å; R289-E321 IonicContact CZ-OE2 2.72Å; R289-E321 IonicContact NE-OE2 3.52Å; R289-E321 IonicContact NH1-OE1 3.45Å; R289-E321 PolarHBondContact NH1-OE1 3.43Å; R289-E321 IonicContact NH1-OE2 2.67Å; R289-E321 PolarHBondContact NH1-OE2 2.99Å; R289-E321 IonicContact NH2-OE2 3.56Å; R289-E321 PolarHBondContact NH2-OE2 3.3Å
322	F	88.1	Confident	79.3	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	174.4	-57.4	-92.8	0	0	0	109.7	I219 R289 I290 H292 F308 Y317 L320	I219-F322 HydrophobicContact CB-CD1 3.91Å; I219-F322 HydrophobicContact CB-CE1 4.23Å; I219-F322 HydrophobicContact CD1-CD1 4.19Å; I219-F322 HydrophobicContact CD1-CE1 3.6Å; I219-F322 HydrophobicContact CD1-CZ 4.31Å; I219-F322 HydrophobicContact CG1-CE1 4.47Å; I219-F322 HydrophobicContact CG2-CD1 4.29Å; I219-F322 WeakPolarHBondContact O-CA 3.49Å; R289-F322 WeakPolarHBondContact CA-O 3.35Å; I290-F322 HydrophobicContact CG2-CB 3.62Å; I290-F322 PolarHBondContact N-O 2.79Å; H292-F322 HydrophobicContact CB-CD2 4.4Å; H292-F322 HydrophobicContact CB-CE2 3.86Å; H292-F322 AromaticContact CD2-CZ 3.93Å; F308-F322 AromaticContact CD2-CE1 3.94Å; F308-F322 HydrophobicContact CD2-CE1 3.94Å; F308-F322 HydrophobicContact CD2-CZ 4.19Å; F308-F322 HydrophobicContact CE1-CE1 4.34Å; F308-F322 HydrophobicContact CE2-CD1 4.16Å; F308-F322 AromaticContact CE2-CE1 3.33Å; F308-F322 HydrophobicContact CE2-CE1 3.33Å; F308-F322 AromaticContact CE2-CZ 3.86Å; F308-F322 HydrophobicContact CE2-CZ 3.86Å; F308-F322 HydrophobicContact CZ-CD1 4.05Å; F308-F322 AromaticContact CZ-CE1 3.54Å; F308-F322 HydrophobicContact CZ-CE1 3.54Å; F308-F322 HydrophobicContact CZ-CZ 4.49Å; Y317-F322 HydrophobicContact CD2-CZ 4.42Å; L320-F322 WeakPolarHBondContact O-CE2 3.38Å
323	T	88.6	Confident	80.1	Confident	15 Å²	15	57.1 Å²	57.1	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.4	170	59	0	0	0	0	109.9	F218 I219 E220 I221 S288 R289	F218-T323 HydrophobicContact CD2-CG2 4.01Å; F218-T323 HydrophobicContact CE2-CG2 4.32Å; I219-T323 PolarHBondContact O-N 2.69Å; E220-T323 WeakPolarHBondContact CG-OG1 3.49Å; I221-T323 PolarHBondContact N-O 3.28Å; S288-T323 CarbonylContact O-C 3.6Å; S288-T323 VanDerWaalsContact O-CA 3.3Å; S288-T323 WeakPolarHBondContact O-CA 3.41Å; R289-T323 HydrophobicContact CG-CG2 4.26Å
324	I	88.2	Confident	81.3	Confident	4 Å²	4	52 Å²	52	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.7	175.8	-162.6	159.8	0	0	0	110	I221 P287 S288 I290 E327 W330	I221-I324 HydrophobicContact CB-CG1 4.29Å; I221-I324 HydrophobicContact CG2-CD1 4.5Å; I221-I324 HydrophobicContact CG2-CG1 4.5Å; I221-I324 WeakPolarHBondContact O-CA 3.4Å; P287-I324 CarbonylContact C-O 3.58Å; P287-I324 WeakPolarHBondContact CA-O 3.32Å; S288-I324 PolarHBondContact N-O 2.93Å; S288-I324 PolarHBondContact O-N 2.91Å; I290-I324 HydrophobicContact CG2-CB 4.45Å; I324-E327 HydrophobicContact CG2-CB 4.13Å; I324-W330 HydrophobicContact CD1-CB 3.33Å; I324-W330 HydrophobicContact CD1-CD2 3.79Å; I324-W330 HydrophobicContact CD1-CG 3.17Å; I324-W330 HydrophobicContact CG1-CB 4.27Å; I324-W330 HydrophobicContact CG1-CG 4.48Å
325	Q	84.9	Confident	82.9	Confident	94 Å²	94	51.4 Å²	51.4	44%	0.439	26%	0.26	S	S	.	.	S	Bend	trans	-64.4	-45.8	-178.3	-176.4	180	8.4	0	0	112.1	I221 H222	I221-Q325 PolarHBondContact O-N 3.1Å; H222-Q325 PolarHBondContact ND1-OE1 3.39Å
326	S	86.1	Confident	84.8	Confident	12 Å²	12	45.8 Å²	45.8	8%	0.084	24%	0.235	C	C	.	.			trans	-142.5	108.7	177.4	173.8	0	0	0	0	109.3	T281 E328 A329 W330	T281-S326 PolarHBondContact O-OG 3.42Å; S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.33Å; S326-A329 VanDerWaalsContact OG-CB 3.31Å; S326-A329 WeakPolarHBondContact OG-CB 3.42Å; S326-A329 PolarHBondContact OG-N 3.47Å; S326-W330 VanDerWaalsContact O-CB 3.26Å; S326-W330 WeakPolarHBondContact O-CB 3.04Å; S326-W330 PolarHBondContact O-N 2.82Å; S326-W330 VanDerWaalsContact O-N 3.12Å
327	E	84.6	Confident	86.3	Confident	76 Å²	76	43.6 Å²	43.6	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-36.4	178.1	-173	176.9	179.5	0	0	111.6	I324 W330 L331	I324-E327 HydrophobicContact CG2-CB 4.13Å; E327-W330 WeakPolarHBondContact O-CB 3.34Å; E327-L331 HydrophobicContact CG-CD1 4.13Å; E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.29Å; E327-L331 WeakPolarHBondContact O-CG 3.05Å; E327-L331 PolarHBondContact O-N 3.22Å
328	E	87.2	Confident	87.3	Confident	112 Å²	112	47.9 Å²	47.9	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-69.1	-47.9	179.5	-174.1	178.4	179.7	0	0	112.3	T281 V283 S326 W330 L331 S332	T281-E328 HydrophobicContact CG2-CG 4.08Å; V283-E328 VanDerWaalsContact CG2-OE2 3.26Å; V283-E328 WeakPolarHBondContact CG2-OE2 3.46Å; S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.33Å; E328-W330 PolarHBondContact O-N 3.35Å; E328-L331 PolarHBondContact O-N 3.09Å; E328-S332 WeakPolarHBondContact O-CB 3.42Å; E328-S332 PolarHBondContact O-N 3.35Å
329	A	88.4	Confident	88.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-36.8	177.4	0	0	0	0	0	111.5	A278 S326 T333	A278-A329 WeakPolarHBondContact O-CA 3.5Å; A278-A329 WeakPolarHBondContact O-CB 2.99Å; S326-A329 VanDerWaalsContact OG-CB 3.31Å; S326-A329 WeakPolarHBondContact OG-CB 3.42Å; S326-A329 PolarHBondContact OG-N 3.47Å; A329-T333 WeakPolarHBondContact O-CB 3.46Å; A329-T333 PolarHBondContact O-N 3.26Å; A329-T333 PolarHBondContact O-OG1 3.36Å
330	W	86.9	Confident	89.5	Confident	11 Å²	11	39.1 Å²	39.1	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-53.6	174.3	170.6	-114.8	0	0	0	113	F203 L295 C299 I302 W304 I324 S326 E327 E328 S332 T333 C334	F203-W330 HydrophobicContact CB-CZ3 4.01Å; F203-W330 HydrophobicContact CD1-CH2 4.35Å; F203-W330 HydrophobicContact CD1-CZ3 4.07Å; F203-W330 HydrophobicContact CG-CZ3 4.23Å; L295-W330 HydrophobicContact CD1-CZ2 3.83Å; C299-W330 HydrophobicContact CB-CH2 4.3Å; C299-W330 HydrophobicContact CB-CZ2 3.47Å; C299-W330 VanDerWaalsContact CB-CZ2 3.47Å; I302-W330 HydrophobicContact CD1-CH2 3.99Å; W304-W330 AromaticContact CH2-CH2 3.35Å; W304-W330 HydrophobicContact CH2-CH2 3.35Å; W304-W330 AromaticContact CH2-CZ2 3.68Å; W304-W330 HydrophobicContact CH2-CZ2 3.68Å; W304-W330 HydrophobicContact CH2-CZ3 4.34Å; W304-W330 AromaticContact CZ2-CH2 3.21Å; W304-W330 HydrophobicContact CZ2-CH2 3.21Å; W304-W330 AromaticContact CZ2-CZ2 3.2Å; W304-W330 HydrophobicContact CZ2-CZ2 3.2Å; W304-W330 HydrophobicContact CZ2-CZ3 4.49Å; I324-W330 HydrophobicContact CD1-CB 3.33Å; I324-W330 HydrophobicContact CD1-CD2 3.79Å; I324-W330 HydrophobicContact CD1-CG 3.17Å; I324-W330 HydrophobicContact CG1-CB 4.27Å; I324-W330 HydrophobicContact CG1-CG 4.48Å; S326-W330 VanDerWaalsContact O-CB 3.26Å; S326-W330 WeakPolarHBondContact O-CB 3.04Å; S326-W330 PolarHBondContact O-N 2.82Å; S326-W330 VanDerWaalsContact O-N 3.12Å; E327-W330 WeakPolarHBondContact O-CB 3.34Å; E328-W330 PolarHBondContact O-N 3.35Å; W330-S332 VanDerWaalsContact C-N 3.29Å; W330-S332 PolarHBondContact O-N 2.73Å; W330-T333 WeakPolarHBondContact O-CB 3.26Å; W330-T333 PolarHBondContact O-N 2.92Å; W330-T333 VanDerWaalsContact O-N 3.16Å; W330-C334 VanDerWaalsContact CE2-SG 3.53Å; W330-C334 WeakPolarHBondContact CH2-SG 3.32Å; W330-C334 WeakPolarHBondContact CZ2-SG 3.48Å; W330-C334 PolarHBondContact O-N 3.07Å
331	L	90	Very high	90.3	Very high	54 Å²	54	39.2 Å²	39.2	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-56.9	-45.8	178.4	-77.1	170.1	0	0	0	111.1	N298 E327 E328 T333 C334 D335	N298-L331 HydrophobicContact CB-CD2 3.63Å; E327-L331 HydrophobicContact CG-CD1 4.13Å; E327-L331 WeakPolarHBondContact O-CB 3.38Å; E327-L331 VanDerWaalsContact O-CG 3.29Å; E327-L331 WeakPolarHBondContact O-CG 3.05Å; E327-L331 PolarHBondContact O-N 3.22Å; E328-L331 PolarHBondContact O-N 3.09Å; L331-T333 PolarHBondContact O-N 3.41Å; L331-C334 PolarHBondContact O-N 2.92Å; L331-D335 PolarHBondContact O-N 3.32Å
332	S	92.3	Very high	90.8	Very high	45 Å²	45	40.5 Å²	40.5	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-43.1	177.4	-173.5	0	0	0	0	112.2	A278 E328 W330 C334 D335 I336	A278-S332 VanDerWaalsContact CB-OG 3.27Å; A278-S332 WeakPolarHBondContact CB-OG 3.37Å; E328-S332 WeakPolarHBondContact O-CB 3.42Å; E328-S332 PolarHBondContact O-N 3.35Å; W330-S332 VanDerWaalsContact C-N 3.29Å; W330-S332 PolarHBondContact O-N 2.73Å; S332-C334 PolarHBondContact O-N 3.26Å; S332-D335 PolarHBondContact O-N 3.47Å; S332-I336 WeakPolarHBondContact O-CG1 3.2Å; S332-I336 PolarHBondContact O-N 3.46Å
333	T	93	Very high	91.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.2	-62.1	0	0	0	0	111.4	L202 L275 A329 W330 L331 I336 L337	L202-T333 HydrophobicContact CB-CG2 4.49Å; L202-T333 HydrophobicContact CD2-CG2 4.4Å; L275-T333 HydrophobicContact CD2-CG2 3.82Å; A329-T333 WeakPolarHBondContact O-CB 3.46Å; A329-T333 PolarHBondContact O-N 3.26Å; A329-T333 PolarHBondContact O-OG1 3.36Å; W330-T333 WeakPolarHBondContact O-CB 3.26Å; W330-T333 PolarHBondContact O-N 2.92Å; W330-T333 VanDerWaalsContact O-N 3.16Å; L331-T333 PolarHBondContact O-N 3.41Å; T333-I336 PolarHBondContact O-N 3.47Å; T333-L337 HydrophobicContact CG2-CD1 4.35Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 2.91Å; T333-L337 VanDerWaalsContact O-N 3.09Å
334	C	93.2	Very high	91.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-35.5	178.3	-77	0	0	0	0	113.5	C299 W330 L331 S332 L337 R338	C299-C334 HydrophobicContact CB-CB 3.77Å; C299-C334 WeakPolarHBondContact CB-SG 3.38Å; C299-C334 WeakPolarHBondContact SG-CB 3.43Å; C299-C334 CovalentContact SG-SG 2.03Å; C299-C334 PolarHBondContact SG-SG 2.76Å; W330-C334 VanDerWaalsContact CE2-SG 3.53Å; W330-C334 WeakPolarHBondContact CH2-SG 3.32Å; W330-C334 WeakPolarHBondContact CZ2-SG 3.48Å; W330-C334 PolarHBondContact O-N 3.07Å; L331-C334 PolarHBondContact O-N 2.92Å; S332-C334 PolarHBondContact O-N 3.26Å; C334-L337 PolarHBondContact O-N 2.97Å; C334-R338 WeakPolarHBondContact O-CB 3.33Å; C334-R338 PolarHBondContact O-N 2.8Å
335	D	94.2	Very high	91.8	Very high	82 Å²	82	51 Å²	51	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-40.9	175.8	-74.6	-21.8	0	0	0	111.9	L331 S332 R338 S339	L331-D335 PolarHBondContact O-N 3.32Å; S332-D335 PolarHBondContact O-N 3.47Å; D335-R338 WeakPolarHBondContact O-CB 3.5Å; D335-R338 PolarHBondContact O-N 3.13Å; D335-R338 IonicContact OD1-CZ 2.76Å; D335-R338 IonicContact OD1-NH1 2.83Å; D335-R338 PolarHBondContact OD1-NH1 2.89Å; D335-S339 PolarHBondContact O-N 3.34Å
336	I	95.2	Very high	92.3	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-52.1	171.6	-71.1	162.3	0	0	0	109.6	L271 E274 L275 A278 S332 T333 R338 S339 K340	L271-I336 HydrophobicContact CD1-CG2 3.88Å; E274-I336 HydrophobicContact CB-CD1 4Å; E274-I336 HydrophobicContact CB-CG1 4.45Å; E274-I336 HydrophobicContact CB-CG2 4.26Å; E274-I336 WeakPolarHBondContact O-CD1 3.3Å; E274-I336 WeakPolarHBondContact OE2-CG2 3.46Å; L275-I336 HydrophobicContact CD2-CB 4.47Å; L275-I336 HydrophobicContact CD2-CD1 4.38Å; L275-I336 HydrophobicContact CD2-CG2 4.11Å; L275-I336 HydrophobicContact CG-CG2 4.44Å; A278-I336 HydrophobicContact CB-CD1 3.6Å; S332-I336 WeakPolarHBondContact O-CG1 3.2Å; S332-I336 PolarHBondContact O-N 3.46Å; T333-I336 PolarHBondContact O-N 3.47Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 2.99Å; I336-S339 PolarHBondContact O-N 3.24Å; I336-S339 VanDerWaalsContact O-N 3.17Å; I336-S339 PolarHBondContact O-OG 3.35Å; I336-K340 HydrophobicContact CG2-CG 4.39Å; I336-K340 WeakPolarHBondContact O-CG 3.43Å; I336-K340 PolarHBondContact O-N 3.23Å
337	L	94.2	Very high	92.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-43.3	177.8	-69.6	169.4	0	0	0	111.7	L202 I301 T333 C334 S339 K340 V341 I350	L202-L337 HydrophobicContact CD1-CD1 3.69Å; L202-L337 HydrophobicContact CD1-CD2 3.84Å; L202-L337 HydrophobicContact CD1-CG 4.39Å; L202-L337 HydrophobicContact CD2-CD1 4.08Å; L202-L337 HydrophobicContact CD2-CD2 3.82Å; L202-L337 HydrophobicContact CD2-CG 4.27Å; L202-L337 HydrophobicContact CG-CD1 4.32Å; L202-L337 HydrophobicContact CG-CD2 4.48Å; I301-L337 HydrophobicContact CD1-CB 4.25Å; T333-L337 HydrophobicContact CG2-CD1 4.35Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 2.91Å; T333-L337 VanDerWaalsContact O-N 3.09Å; C334-L337 PolarHBondContact O-N 2.97Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 2.78Å; L337-K340 PolarHBondContact O-N 3.05Å; L337-V341 WeakPolarHBondContact O-CB 3.36Å; L337-V341 WeakPolarHBondContact O-CG2 3.31Å; L337-V341 PolarHBondContact O-N 3.41Å; L337-I350 HydrophobicContact CD2-CD1 4.09Å; L337-I350 HydrophobicContact CD2-CG1 4.33Å
338	R	94.1	Very high	93.4	Very high	94 Å²	94	44.8 Å²	44.8	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-55.6	-47.1	178.1	-159	174.6	-72.5	125.9	-0.5	111.1	N298 I301 C334 D335 I336 T342	N298-R338 PolarHBondContact O-NH2 3.22Å; I301-R338 HydrophobicContact CD1-CB 3.46Å; I301-R338 VanDerWaalsContact CD1-CB 3.46Å; I301-R338 HydrophobicContact CD1-CG 3.82Å; I301-R338 VanDerWaalsContact CD1-N 3.28Å; I301-R338 HydrophobicContact CG1-CG 4.4Å; C334-R338 WeakPolarHBondContact O-CB 3.33Å; C334-R338 PolarHBondContact O-N 2.8Å; D335-R338 WeakPolarHBondContact O-CB 3.5Å; D335-R338 PolarHBondContact O-N 3.13Å; D335-R338 IonicContact OD1-CZ 2.76Å; D335-R338 IonicContact OD1-NH1 2.83Å; D335-R338 PolarHBondContact OD1-NH1 2.89Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 2.99Å; R338-T342 WeakPolarHBondContact O-CG2 3.43Å
339	S	95.2	Very high	93.9	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-46	-179.5	77.7	0	0	0	0	111.5	D335 I336 L337 T342	D335-S339 PolarHBondContact O-N 3.34Å; I336-S339 PolarHBondContact O-N 3.24Å; I336-S339 VanDerWaalsContact O-N 3.17Å; I336-S339 PolarHBondContact O-OG 3.35Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 2.78Å; S339-T342 PolarHBondContact O-OG1 3.02Å
340	K	95	Very high	94.3	Very high	19 Å²	19	40 Å²	40	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-32.5	-174.4	-61.4	-68.4	-177.7	-178.6	0	112.8	E270 L271 E274 I336 L337 T342 I343 G346 R347 I350	E270-K340 IonicContact OE1-NZ 3.37Å; E270-K340 PolarHBondContact OE1-NZ 3.42Å; L271-K340 HydrophobicContact CD1-CG 4.1Å; E274-K340 VanDerWaalsContact CD-CE 3.48Å; E274-K340 WeakPolarHBondContact OE1-CE 3.39Å; E274-K340 IonicContact OE1-NZ 3.53Å; E274-K340 PolarHBondContact OE1-NZ 2.67Å; E274-K340 WeakPolarHBondContact OE2-CE 3.15Å; E274-K340 IonicContact OE2-NZ 3.72Å; E274-K340 PolarHBondContact OE2-NZ 3.34Å; I336-K340 HydrophobicContact CG2-CG 4.39Å; I336-K340 WeakPolarHBondContact O-CG 3.43Å; I336-K340 PolarHBondContact O-N 3.23Å; L337-K340 PolarHBondContact O-N 3.05Å; K340-T342 VanDerWaalsContact C-N 3.27Å; K340-T342 PolarHBondContact O-N 3.5Å; K340-I343 VanDerWaalsContact O-CG1 3.31Å; K340-I343 WeakPolarHBondContact O-CG1 3.38Å; K340-I343 PolarHBondContact O-N 2.91Å; K340-G346 CarbonylContact O-C 3.35Å; K340-G346 VanDerWaalsContact O-C 3.31Å; K340-G346 WeakPolarHBondContact O-CA 3.45Å; K340-R347 PolarHBondContact O-N 2.95Å; K340-I350 HydrophobicContact CB-CD1 3.86Å; K340-I350 HydrophobicContact CB-CG1 4.42Å
341	V	95	Very high	94.8	Very high	32 Å²	32	39.4 Å²	39.4	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-31.3	178.4	170.4	0	0	0	0	112.7	F184 V186 I301 L337 I343 R347 I350	F184-V341 HydrophobicContact CD1-CG1 4.07Å; F184-V341 HydrophobicContact CD1-CG2 4.43Å; F184-V341 HydrophobicContact CE1-CG1 4.41Å; F184-V341 HydrophobicContact CE1-CG2 3.95Å; V186-V341 HydrophobicContact CG2-CG2 3.72Å; I301-V341 HydrophobicContact CG2-CG2 4.11Å; L337-V341 WeakPolarHBondContact O-CB 3.36Å; L337-V341 WeakPolarHBondContact O-CG2 3.31Å; L337-V341 PolarHBondContact O-N 3.41Å; V341-I343 VanDerWaalsContact C-N 3.31Å; V341-I343 PolarHBondContact O-N 2.97Å; V341-R347 WeakPolarHBondContact O-CD 3.37Å; V341-R347 VanDerWaalsContact O-CG 3.25Å; V341-R347 WeakPolarHBondContact O-CG 3.21Å; V341-R347 PolarHBondContact O-NH1 3.44Å; V341-I350 HydrophobicContact CG2-CD1 3.79Å
342	T	92.9	Very high	95.2	Very high	106 Å²	106	36.9 Å²	36.9	65%	0.65	20%	0.196	S	C	*	.	H	α-helix	trans	-71.2	-26	-176.8	62.3	0	0	0	0	113.5	R338 S339 K340 R347	R338-T342 WeakPolarHBondContact O-CG2 3.43Å; S339-T342 PolarHBondContact O-OG1 3.02Å; K340-T342 VanDerWaalsContact C-N 3.27Å; K340-T342 PolarHBondContact O-N 3.5Å; T342-R347 PolarHBondContact O-NH1 2.83Å; T342-R347 VanDerWaalsContact O-NH1 3.15Å
343	I	95.1	Very high	95.5	Very high	86 Å²	86	35 Å²	35	44%	0.441	18%	0.182	S	C	.	.	S	Bend	trans	-103.5	146.3	-176.5	54.6	166.1	0	0	0	111.6	K340 V341 E345 G346 R347	K340-I343 VanDerWaalsContact O-CG1 3.31Å; K340-I343 WeakPolarHBondContact O-CG1 3.38Å; K340-I343 PolarHBondContact O-N 2.91Å; V341-I343 VanDerWaalsContact C-N 3.31Å; V341-I343 PolarHBondContact O-N 2.97Å; I343-E345 VanDerWaalsContact C-N 3.34Å; I343-E345 PolarHBondContact O-N 3.14Å; I343-G346 PolarHBondContact O-N 3.24Å; I343-R347 PolarHBondContact O-N 3.49Å; I343-R347 VanDerWaalsContact O-N 3.14Å
344	D	94.4	Very high	95.7	Very high	72 Å²	72	35.1 Å²	35.1	39%	0.385	18%	0.183	S	C	.	.	H	α-helix	trans	-58.2	-46.1	-179.8	-175.3	54.5	0	0	0	111.9	G346 R347 K348	D344-G346 PolarHBondContact O-N 3.41Å; D344-R347 PolarHBondContact O-N 3.12Å; D344-R347 IonicContact OD1-NH2 3.77Å; D344-K348 WeakPolarHBondContact O-CG 3.14Å; D344-K348 PolarHBondContact O-N 3.27Å; D344-K348 WeakPolarHBondContact OD2-CE 3.21Å; D344-K348 IonicContact OD2-NZ 2.84Å; D344-K348 PolarHBondContact OD2-NZ 3.35Å
345	E	95.5	Very high	95.9	Very high	89 Å²	89	35.1 Å²	35.1	42%	0.416	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-39	-179.3	-159.9	57.5	-154.6	0	0	112.8	I343 R347 K348 N349	I343-E345 VanDerWaalsContact C-N 3.34Å; I343-E345 PolarHBondContact O-N 3.14Å; E345-R347 PolarHBondContact O-N 3.18Å; E345-K348 WeakPolarHBondContact O-CB 3.25Å; E345-K348 PolarHBondContact O-N 3.45Å; E345-K348 IonicContact OE2-NZ 2.9Å; E345-K348 PolarHBondContact OE2-NZ 3.03Å; E345-N349 PolarHBondContact O-N 2.85Å; E345-N349 PolarHBondContact O-ND2 3.09Å; E345-N349 PolarHBondContact O-OD1 3.41Å
346	G	96.7	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-37.1	176.9	0	0	0	0	0	112.5	K340 I343 D344 N349 I350	K340-G346 CarbonylContact O-C 3.35Å; K340-G346 VanDerWaalsContact O-C 3.31Å; K340-G346 WeakPolarHBondContact O-CA 3.45Å; I343-G346 PolarHBondContact O-N 3.24Å; D344-G346 PolarHBondContact O-N 3.41Å; G346-N349 PolarHBondContact O-N 2.86Å; G346-I350 VanDerWaalsContact O-CG1 3.27Å; G346-I350 WeakPolarHBondContact O-CG1 3.29Å; G346-I350 PolarHBondContact O-N 3.05Å
347	R	96.9	Very high	96.2	Very high	22 Å²	22	30.2 Å²	30.2	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-40.4	172.9	-69	-171.4	-64.8	-89.4	1.7	112.5	L179 F184 K340 V341 T342 I343 D344 E345 H351	L179-R347 WeakPolarHBondContact O-CD 3.45Å; L179-R347 PolarHBondContact O-NE 3.18Å; F184-R347 HydrophobicContact CB-CG 4.47Å; F184-R347 HydrophobicContact CD1-CG 3.81Å; F184-R347 HydrophobicContact CD2-CB 3.95Å; F184-R347 HydrophobicContact CD2-CG 4.05Å; F184-R347 HydrophobicContact CE1-CB 4.43Å; F184-R347 HydrophobicContact CE1-CG 3.97Å; F184-R347 HydrophobicContact CE2-CB 3.85Å; F184-R347 HydrophobicContact CE2-CG 4.19Å; F184-R347 HydrophobicContact CG-CB 4.27Å; F184-R347 VanDerWaalsContact CG-CD 3.43Å; F184-R347 HydrophobicContact CG-CG 3.84Å; F184-R347 HydrophobicContact CZ-CB 4.1Å; F184-R347 HydrophobicContact CZ-CG 4.15Å; K340-R347 PolarHBondContact O-N 2.95Å; V341-R347 WeakPolarHBondContact O-CD 3.37Å; V341-R347 VanDerWaalsContact O-CG 3.25Å; V341-R347 WeakPolarHBondContact O-CG 3.21Å; V341-R347 PolarHBondContact O-NH1 3.44Å; T342-R347 PolarHBondContact O-NH1 2.83Å; T342-R347 VanDerWaalsContact O-NH1 3.15Å; I343-R347 PolarHBondContact O-N 3.49Å; I343-R347 VanDerWaalsContact O-N 3.14Å; D344-R347 PolarHBondContact O-N 3.12Å; D344-R347 IonicContact OD1-NH2 3.77Å; E345-R347 PolarHBondContact O-N 3.18Å; R347-H351 WeakPolarHBondContact O-CB 3.06Å; R347-H351 PolarHBondContact O-N 3.21Å
348	K	96.7	Very high	96.4	Very high	29 Å²	29	30.1 Å²	30.1	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-44.8	174.1	-61.9	176.6	-161.6	146.5	0	111.6	L163 L179 D344 E345 H351 N352	L163-K348 HydrophobicContact CD1-CB 3.83Å; L163-K348 HydrophobicContact CD1-CD 4.22Å; L163-K348 HydrophobicContact CD1-CG 3.69Å; L179-K348 HydrophobicContact CD1-CG 3.91Å; D344-K348 WeakPolarHBondContact O-CG 3.14Å; D344-K348 PolarHBondContact O-N 3.27Å; D344-K348 WeakPolarHBondContact OD2-CE 3.21Å; D344-K348 IonicContact OD2-NZ 2.84Å; D344-K348 PolarHBondContact OD2-NZ 3.35Å; E345-K348 WeakPolarHBondContact O-CB 3.25Å; E345-K348 PolarHBondContact O-N 3.45Å; E345-K348 IonicContact OE2-NZ 2.9Å; E345-K348 PolarHBondContact OE2-NZ 3.03Å; K348-H351 PolarHBondContact O-N 2.83Å; K348-N352 WeakPolarHBondContact O-CB 3.25Å; K348-N352 PolarHBondContact O-N 3.37Å; K348-N352 PolarHBondContact O-ND2 2.7Å
349	N	97.6	Very high	96.5	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-44.4	-179.2	-64.9	-16.3	0	0	0	111.4	G267 L271 E345 G346 M353	G267-N349 VanDerWaalsContact CA-ND2 3.34Å; G267-N349 WeakPolarHBondContact CA-ND2 3.49Å; G267-N349 WeakPolarHBondContact CA-OD1 3.37Å; G267-N349 PolarHBondContact O-ND2 3.48Å; L271-N349 HydrophobicContact CD2-CB 4.17Å; E345-N349 PolarHBondContact O-N 2.85Å; E345-N349 PolarHBondContact O-ND2 3.09Å; E345-N349 PolarHBondContact O-OD1 3.41Å; G346-N349 PolarHBondContact O-N 2.86Å; N349-M353 WeakPolarHBondContact O-CB 3.14Å; N349-M353 PolarHBondContact O-N 3.39Å
350	I	97.3	Very high	96.5	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-47.6	175.1	-66	165.6	0	0	0	110.5	F184 L189 L271 L337 K340 V341 G346 M353 V354	F184-I350 HydrophobicContact CZ-CB 4.11Å; F184-I350 HydrophobicContact CZ-CG2 3.97Å; L189-I350 HydrophobicContact CD2-CG2 3.77Å; L271-I350 HydrophobicContact CD2-CB 4.42Å; L271-I350 HydrophobicContact CD2-CG1 3.75Å; L337-I350 HydrophobicContact CD2-CD1 4.09Å; L337-I350 HydrophobicContact CD2-CG1 4.33Å; K340-I350 HydrophobicContact CB-CD1 3.86Å; K340-I350 HydrophobicContact CB-CG1 4.42Å; V341-I350 HydrophobicContact CG2-CD1 3.79Å; G346-I350 VanDerWaalsContact O-CG1 3.27Å; G346-I350 WeakPolarHBondContact O-CG1 3.29Å; G346-I350 PolarHBondContact O-N 3.05Å; I350-M353 PolarHBondContact O-N 2.97Å; I350-V354 HydrophobicContact CG2-CG2 4.34Å; I350-V354 VanDerWaalsContact O-CG2 3.31Å; I350-V354 WeakPolarHBondContact O-CG2 3.44Å; I350-V354 PolarHBondContact O-N 2.96Å
351	H	97.3	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-51.9	179.2	173.7	-118.8	0	0	0	112.4	G161 L179 R347 K348 M353 V354 V355	G161-H351 PolarHBondContact O-CE1 3.13Å; G161-H351 VanDerWaalsContact O-CE1 3.25Å; G161-H351 PolarHBondContact O-NE2 2.84Å; L179-H351 HydrophobicContact CD2-CB 3.65Å; R347-H351 WeakPolarHBondContact O-CB 3.06Å; R347-H351 PolarHBondContact O-N 3.21Å; K348-H351 PolarHBondContact O-N 2.83Å; H351-M353 PolarHBondContact O-N 3.24Å; H351-V354 PolarHBondContact O-N 3.39Å; H351-V355 WeakPolarHBondContact O-CG2 2.92Å; H351-V355 PolarHBondContact O-N 2.77Å; H351-V355 VanDerWaalsContact O-N 3.1Å
352	N	97.5	Very high	96.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-44	178.2	-76.7	-30.8	0	0	0	111.7	W162 M164 V268 K348 V354 V355 I356	W162-N352 PolarHBondContact NE1-OD1 3.06Å; M164-N352 HydrophobicContact CE-CB 3.81Å; M164-N352 HydrophobicContact SD-CB 4.22Å; V268-N352 HydrophobicContact CG2-CB 3.62Å; K348-N352 WeakPolarHBondContact O-CB 3.25Å; K348-N352 PolarHBondContact O-N 3.37Å; K348-N352 PolarHBondContact O-ND2 2.7Å; N352-V354 PolarHBondContact O-N 2.86Å; N352-V355 PolarHBondContact O-N 3.46Å; N352-I356 WeakPolarHBondContact O-CB 3.48Å; N352-I356 WeakPolarHBondContact O-CD1 3.27Å; N352-I356 WeakPolarHBondContact O-CG1 3.4Å; N352-I356 PolarHBondContact O-N 2.88Å
353	M	97.8	Very high	96.4	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.02	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-44.9	178.5	179.3	171.5	163.7	0	0	112.2	A201 L226 F229 V268 L271 L275 N349 I350 H351 I356 D357	A201-M353 HydrophobicContact CB-CE 3.36Å; L226-M353 HydrophobicContact CD2-CE 3.48Å; L226-M353 VanDerWaalsContact CD2-CE 3.48Å; F229-M353 HydrophobicContact CE2-CE 4.31Å; F229-M353 HydrophobicContact CE2-CG 3.8Å; F229-M353 HydrophobicContact CZ-CB 4.44Å; F229-M353 HydrophobicContact CZ-CG 3.81Å; V268-M353 HydrophobicContact CG1-CB 4.16Å; L271-M353 HydrophobicContact CD2-CB 4.4Å; L271-M353 HydrophobicContact CD2-SD 3.66Å; L271-M353 HydrophobicContact CG-SD 3.77Å; L275-M353 HydrophobicContact CD1-CE 3.32Å; L275-M353 HydrophobicContact CD1-SD 3.74Å; N349-M353 WeakPolarHBondContact O-CB 3.14Å; N349-M353 PolarHBondContact O-N 3.39Å; I350-M353 PolarHBondContact O-N 2.97Å; H351-M353 PolarHBondContact O-N 3.24Å; M353-I356 PolarHBondContact O-N 2.89Å; M353-D357 VanDerWaalsContact O-CB 3.31Å; M353-D357 WeakPolarHBondContact O-CB 3.5Å; M353-D357 PolarHBondContact O-N 2.72Å
354	V	97.7	Very high	96.2	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.036	8%	0.083	C	C	.	.	H	α-helix	trans	-65.7	-42.1	179.3	171.9	0	0	0	0	111.7	F159 L189 L190 I350 H351 N352 D357 F358	F159-V354 HydrophobicContact CE1-CG1 3.91Å; L189-V354 HydrophobicContact CD1-CB 4.3Å; L189-V354 HydrophobicContact CD1-CG1 4.11Å; L189-V354 HydrophobicContact CD2-CB 4.47Å; L189-V354 HydrophobicContact CD2-CG2 4.2Å; L189-V354 HydrophobicContact CG-CB 4.16Å; L189-V354 HydrophobicContact CG-CG1 4.04Å; L189-V354 HydrophobicContact CG-CG2 4.17Å; L189-V354 WeakPolarHBondContact O-CG1 3.37Å; L190-V354 HydrophobicContact CD2-CG1 4.33Å; L190-V354 HydrophobicContact CD2-CG2 3.59Å; I350-V354 HydrophobicContact CG2-CG2 4.34Å; I350-V354 VanDerWaalsContact O-CG2 3.31Å; I350-V354 WeakPolarHBondContact O-CG2 3.44Å; I350-V354 PolarHBondContact O-N 2.96Å; H351-V354 PolarHBondContact O-N 3.39Å; N352-V354 PolarHBondContact O-N 2.86Å; V354-D357 PolarHBondContact O-N 2.7Å; V354-F358 WeakPolarHBondContact O-CB 3.34Å; V354-F358 PolarHBondContact O-N 3.1Å
355	V	97.9	Very high	96.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-40.4	177.9	177	0	0	0	0	111.3	I155 F159 W162 H351 N352 F358 L359	I155-V355 HydrophobicContact CD1-CG1 4.32Å; I155-V355 HydrophobicContact CG2-CG1 4.17Å; F159-V355 HydrophobicContact CB-CG2 4.09Å; F159-V355 HydrophobicContact CD1-CG2 4.2Å; F159-V355 HydrophobicContact CD2-CG2 3.91Å; F159-V355 HydrophobicContact CE2-CG2 4.36Å; F159-V355 HydrophobicContact CG-CG2 3.8Å; W162-V355 HydrophobicContact CB-CG1 4.13Å; W162-V355 HydrophobicContact CD2-CG1 3.81Å; W162-V355 HydrophobicContact CE3-CG1 4.47Å; W162-V355 HydrophobicContact CG-CB 4.27Å; W162-V355 HydrophobicContact CG-CG1 3.65Å; W162-V355 HydrophobicContact CG-CG2 4.48Å; H351-V355 WeakPolarHBondContact O-CG2 2.92Å; H351-V355 PolarHBondContact O-N 2.77Å; H351-V355 VanDerWaalsContact O-N 3.1Å; N352-V355 PolarHBondContact O-N 3.46Å; V355-F358 PolarHBondContact O-N 3.34Å; V355-L359 HydrophobicContact CG1-CD1 4.04Å; V355-L359 WeakPolarHBondContact O-CG 3.2Å; V355-L359 PolarHBondContact O-N 3.35Å
356	I	97.9	Very high	96	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.7	-47.5	175.8	-68.7	165.2	0	0	0	110.7	W162 M164 F229 L252 M265 V268 N352 M353 F358 L359 Y360	W162-I356 HydrophobicContact CZ2-CG1 4.37Å; M164-I356 HydrophobicContact CE-CD1 4.01Å; M164-I356 HydrophobicContact SD-CD1 3.88Å; M164-I356 HydrophobicContact SD-CG1 4.42Å; F229-I356 HydrophobicContact CE1-CB 4.3Å; F229-I356 HydrophobicContact CE1-CD1 4.27Å; F229-I356 HydrophobicContact CE1-CG2 3.65Å; F229-I356 HydrophobicContact CZ-CB 3.97Å; F229-I356 HydrophobicContact CZ-CG2 3.6Å; L252-I356 HydrophobicContact CD1-CD1 3.69Å; L252-I356 HydrophobicContact CD1-CG1 3.64Å; L252-I356 HydrophobicContact CD1-CG2 4.39Å; L252-I356 HydrophobicContact CD2-CB 4.49Å; L252-I356 HydrophobicContact CD2-CG1 3.96Å; L252-I356 HydrophobicContact CD2-CG2 4.26Å; L252-I356 HydrophobicContact CG-CG1 4.46Å; M265-I356 HydrophobicContact CE-CD1 4.33Å; M265-I356 HydrophobicContact SD-CD1 3.9Å; V268-I356 HydrophobicContact CG1-CD1 4.2Å; N352-I356 WeakPolarHBondContact O-CB 3.48Å; N352-I356 WeakPolarHBondContact O-CD1 3.27Å; N352-I356 WeakPolarHBondContact O-CG1 3.4Å; N352-I356 PolarHBondContact O-N 2.88Å; M353-I356 PolarHBondContact O-N 2.89Å; I356-F358 VanDerWaalsContact C-N 3.33Å; I356-F358 PolarHBondContact O-N 3.3Å; I356-L359 PolarHBondContact O-N 3.09Å; I356-Y360 WeakPolarHBondContact O-CB 3.31Å; I356-Y360 PolarHBondContact O-N 2.98Å
357	D	97.1	Very high	95.8	Very high	1 Å²	1	12 Å²	12	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-59.7	-42.9	177.7	178.1	55.4	0	0	0	111.8	A201 M353 V354 L359 Y360 K361	A201-D357 HydrophobicContact CB-CB 4.31Å; A201-D357 PolarHBondContact N-OD2 3.01Å; A201-D357 VanDerWaalsContact N-OD2 3.13Å; M353-D357 VanDerWaalsContact O-CB 3.31Å; M353-D357 WeakPolarHBondContact O-CB 3.5Å; M353-D357 PolarHBondContact O-N 2.72Å; V354-D357 PolarHBondContact O-N 2.7Å; D357-L359 PolarHBondContact O-N 2.95Å; D357-Y360 WeakPolarHBondContact O-CB 3.33Å; D357-Y360 PolarHBondContact O-N 3.33Å; D357-K361 VanDerWaalsContact CG-NZ 3.28Å; D357-K361 WeakPolarHBondContact O-CB 3.42Å; D357-K361 WeakPolarHBondContact O-CD 3.25Å; D357-K361 VanDerWaalsContact O-CG 3.31Å; D357-K361 WeakPolarHBondContact O-CG 3.41Å; D357-K361 PolarHBondContact O-N 3.21Å; D357-K361 WeakPolarHBondContact OD1-CE 2.89Å; D357-K361 IonicContact OD1-NZ 2.73Å; D357-K361 PolarHBondContact OD1-NZ 3.49Å; D357-K361 VanDerWaalsContact OD1-NZ 3.12Å; D357-K361 WeakPolarHBondContact OD2-CE 3.35Å; D357-K361 IonicContact OD2-NZ 3.73Å; D357-K361 PolarHBondContact OD2-NZ 3.39Å
358	F	97.9	Very high	95.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.6	-47.7	173.9	174.4	-93.3	0	0	0	112.5	L154 L158 F159 P192 Q196 V354 V355 I356 K361 M362 Y485	L154-F358 HydrophobicContact CD2-CE1 4Å; L154-F358 HydrophobicContact CD2-CZ 4.15Å; L154-F358 HydrophobicContact CG-CE1 4.49Å; L158-F358 HydrophobicContact CD1-CE1 4.1Å; L158-F358 HydrophobicContact CD1-CE2 3.81Å; L158-F358 HydrophobicContact CD1-CZ 3.38Å; F159-F358 HydrophobicContact CE2-CB 4.11Å; F159-F358 AromaticContact CE2-CD1 3.71Å; F159-F358 HydrophobicContact CE2-CD1 3.71Å; F159-F358 HydrophobicContact CE2-CD2 4.15Å; F159-F358 HydrophobicContact CE2-CE1 4.16Å; F159-F358 AromaticContact CE2-CG 3.71Å; F159-F358 HydrophobicContact CE2-CG 3.71Å; F159-F358 HydrophobicContact CZ-CB 3.81Å; F159-F358 HydrophobicContact CZ-CD1 4.18Å; F159-F358 AromaticContact CZ-CD2 3.87Å; F159-F358 HydrophobicContact CZ-CD2 3.87Å; F159-F358 AromaticContact CZ-CG 3.68Å; F159-F358 HydrophobicContact CZ-CG 3.68Å; P192-F358 HydrophobicContact CB-CE2 4.47Å; Q196-F358 HydrophobicContact CB-CE2 4.32Å; Q196-F358 HydrophobicContact CG-CE2 4.26Å; Q196-F358 PolarHBondContact NE2-O 3.16Å; Q196-F358 PolarHBondContact OE1-O 2.98Å; V354-F358 WeakPolarHBondContact O-CB 3.34Å; V354-F358 PolarHBondContact O-N 3.1Å; V355-F358 PolarHBondContact O-N 3.34Å; I356-F358 VanDerWaalsContact C-N 3.33Å; I356-F358 PolarHBondContact O-N 3.3Å; F358-K361 PolarHBondContact O-N 3.03Å; F358-M362 HydrophobicContact CE1-SD 4.33Å; F358-M362 HydrophobicContact CZ-SD 4.48Å; F358-M362 PolarHBondContact O-N 2.82Å; F358-Y485 AromaticContact CE2-CD2 3.73Å; F358-Y485 HydrophobicContact CE2-CD2 3.73Å; F358-Y485 AromaticContact CE2-CE2 3.91Å; F358-Y485 HydrophobicContact CE2-CE2 3.91Å; F358-Y485 AromaticContact CZ-CD2 3.9Å; F358-Y485 HydrophobicContact CZ-CD2 3.9Å; F358-Y485 HydrophobicContact CZ-CE2 4.45Å
359	L	97.3	Very high	95.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-41.1	178.6	-72.3	166.4	0	0	0	111.7	I151 I155 W162 L252 V255 V355 I356 D357 K361 M362 R363 L366 F373	I151-L359 HydrophobicContact CG2-CD2 3.89Å; I155-L359 HydrophobicContact CD1-CD1 4.04Å; I155-L359 HydrophobicContact CD1-CD2 4.15Å; I155-L359 HydrophobicContact CD1-CG 4.48Å; W162-L359 HydrophobicContact CH2-CD1 4.13Å; W162-L359 HydrophobicContact CZ3-CD1 4.2Å; L252-L359 HydrophobicContact CD2-CD1 4.37Å; V255-L359 HydrophobicContact CG2-CD1 3.97Å; V355-L359 HydrophobicContact CG1-CD1 4.04Å; V355-L359 WeakPolarHBondContact O-CG 3.2Å; V355-L359 PolarHBondContact O-N 3.35Å; I356-L359 PolarHBondContact O-N 3.09Å; D357-L359 PolarHBondContact O-N 2.95Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 3.22Å; L359-M362 CarbonylContact O-C 3.54Å; L359-M362 WeakPolarHBondContact O-CA 3.38Å; L359-M362 PolarHBondContact O-N 3.18Å; L359-R363 PolarHBondContact O-N 3.18Å; L359-L366 HydrophobicContact CD2-CD1 4.16Å; L359-L366 WeakPolarHBondContact O-CD1 3.2Å; L359-F373 HydrophobicContact CB-CZ 4.19Å
360	Y	95.1	Very high	95	Very high	16 Å²	16	13.4 Å²	13.4	6%	0.063	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-42.5	173.5	169.6	-104.1	0	0	0	112.2	D227 A228 I356 D357 M362 R363 Y374	D227-Y360 HydrophobicContact CB-CE1 3.66Å; A228-Y360 HydrophobicContact CB-CD1 3.65Å; A228-Y360 HydrophobicContact CB-CD2 4.26Å; A228-Y360 HydrophobicContact CB-CE1 4.44Å; A228-Y360 HydrophobicContact CB-CG 3.55Å; I356-Y360 WeakPolarHBondContact O-CB 3.31Å; I356-Y360 PolarHBondContact O-N 2.98Å; D357-Y360 WeakPolarHBondContact O-CB 3.33Å; D357-Y360 PolarHBondContact O-N 3.33Å; Y360-M362 PolarHBondContact O-N 3.5Å; Y360-R363 WeakPolarHBondContact O-CB 3.37Å; Y360-R363 WeakPolarHBondContact O-CD 3.24Å; Y360-R363 WeakPolarHBondContact O-CG 3.42Å; Y360-R363 PolarHBondContact O-N 2.92Å; Y360-R363 VanDerWaalsContact O-N 3.13Å; Y360-R363 PolarHBondContact O-NH1 2.69Å; Y360-Y374 AromaticContact CD2-CD1 3.27Å; Y360-Y374 HydrophobicContact CD2-CD1 3.27Å; Y360-Y374 HydrophobicContact CD2-CD2 4.09Å; Y360-Y374 AromaticContact CD2-CE1 3.4Å; Y360-Y374 HydrophobicContact CD2-CE1 3.4Å; Y360-Y374 HydrophobicContact CD2-CE2 4.21Å; Y360-Y374 AromaticContact CD2-CG 3.62Å; Y360-Y374 HydrophobicContact CD2-CG 3.62Å; Y360-Y374 AromaticContact CD2-CZ 3.88Å; Y360-Y374 AromaticContact CE2-CD1 3.46Å; Y360-Y374 HydrophobicContact CE2-CD1 3.46Å; Y360-Y374 VanDerWaalsContact CE2-CD1 3.46Å; Y360-Y374 AromaticContact CE2-CE1 3.83Å; Y360-Y374 HydrophobicContact CE2-CE1 3.83Å; Y360-Y374 HydrophobicContact CE2-CG 4.05Å; Y360-Y374 HydrophobicContact CG-CE1 4.36Å
361	K	94	Very high	94.7	Very high	19 Å²	19	20.5 Å²	20.5	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-68.8	-23.4	176.8	-72.3	164.7	175.3	172.5	0	112.4	I197 E199 T200 D357 F358 L359	I197-K361 HydrophobicContact CD1-CB 4.2Å; I197-K361 HydrophobicContact CD1-CD 3.43Å; I197-K361 VanDerWaalsContact CD1-CD 3.43Å; I197-K361 HydrophobicContact CD1-CG 3.65Å; I197-K361 HydrophobicContact CG1-CD 3.97Å; I197-K361 HydrophobicContact CG1-CG 4.47Å; E199-K361 PolarHBondContact O-NZ 2.82Å; T200-K361 VanDerWaalsContact C-NZ 3.29Å; T200-K361 VanDerWaalsContact CA-NZ 3.26Å; D357-K361 VanDerWaalsContact CG-NZ 3.28Å; D357-K361 WeakPolarHBondContact O-CB 3.42Å; D357-K361 WeakPolarHBondContact O-CD 3.25Å; D357-K361 VanDerWaalsContact O-CG 3.31Å; D357-K361 WeakPolarHBondContact O-CG 3.41Å; D357-K361 PolarHBondContact O-N 3.21Å; D357-K361 WeakPolarHBondContact OD1-CE 2.89Å; D357-K361 IonicContact OD1-NZ 2.73Å; D357-K361 PolarHBondContact OD1-NZ 3.49Å; D357-K361 VanDerWaalsContact OD1-NZ 3.12Å; D357-K361 WeakPolarHBondContact OD2-CE 3.35Å; D357-K361 IonicContact OD2-NZ 3.73Å; D357-K361 PolarHBondContact OD2-NZ 3.39Å; F358-K361 PolarHBondContact O-N 3.03Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 3.22Å
362	M	94	Very high	94.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.6	172.7	-153.2	171	-173.4	0	0	114.1	L154 F358 L359 Y360 N364 Y365 L366 F481 A484	L154-M362 HydrophobicContact CD2-CE 4.08Å; L154-M362 HydrophobicContact CD2-SD 3.8Å; F358-M362 HydrophobicContact CE1-SD 4.33Å; F358-M362 HydrophobicContact CZ-SD 4.48Å; F358-M362 PolarHBondContact O-N 2.82Å; L359-M362 CarbonylContact O-C 3.54Å; L359-M362 WeakPolarHBondContact O-CA 3.38Å; L359-M362 PolarHBondContact O-N 3.18Å; Y360-M362 PolarHBondContact O-N 3.5Å; M362-N364 VanDerWaalsContact C-N 3.28Å; M362-N364 PolarHBondContact O-N 3.12Å; M362-Y365 HydrophobicContact CE-CG 4.47Å; M362-Y365 HydrophobicContact CG-CD2 3.87Å; M362-Y365 HydrophobicContact CG-CG 4.33Å; M362-Y365 WeakPolarHBondContact O-CB 3.45Å; M362-Y365 PolarHBondContact O-N 3.09Å; M362-L366 HydrophobicContact CB-CD1 4.19Å; M362-L366 HydrophobicContact CB-CG 4.49Å; M362-L366 PolarHBondContact O-N 3.5Å; M362-F481 HydrophobicContact CE-CB 4.15Å; M362-F481 HydrophobicContact CE-CD1 3.93Å; M362-A484 HydrophobicContact CE-CB 3.74Å
363	R	92.8	Very high	94	Very high	47 Å²	47	25.9 Å²	25.9	18%	0.177	12%	0.122	C	C	.	.	H	α-helix	trans	-52.1	-37.1	-171.1	69.2	-172.2	174.3	-83.3	5.3	115.1	L359 Y360 Y365 L366 Q367 F373	L359-R363 PolarHBondContact O-N 3.18Å; Y360-R363 WeakPolarHBondContact O-CB 3.37Å; Y360-R363 WeakPolarHBondContact O-CD 3.24Å; Y360-R363 WeakPolarHBondContact O-CG 3.42Å; Y360-R363 PolarHBondContact O-N 2.92Å; Y360-R363 VanDerWaalsContact O-N 3.13Å; Y360-R363 PolarHBondContact O-NH1 2.69Å; R363-Y365 PolarHBondContact O-N 3.32Å; R363-L366 CarbonylContact O-C 3.59Å; R363-L366 PolarHBondContact O-N 2.78Å; R363-Q367 WeakPolarHBondContact O-CB 3.37Å; R363-Q367 VanDerWaalsContact O-CG 3.23Å; R363-Q367 WeakPolarHBondContact O-CG 3.45Å; R363-Q367 PolarHBondContact O-N 3.37Å; R363-F373 HydrophobicContact CB-CD1 3.77Å; R363-F373 HydrophobicContact CB-CE1 3.77Å
364	N	90.5	Very high	93.6	Very high	51 Å²	51	25.9 Å²	25.9	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-61.7	-32.3	-178.7	-63.3	-15.7	0	0	0	112.4	M362	M362-N364 VanDerWaalsContact C-N 3.28Å; M362-N364 PolarHBondContact O-N 3.12Å
365	Y	92.4	Very high	93	Very high	16 Å²	16	28.3 Å²	28.3	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-77.7	-39.2	174.4	-62.6	-87.5	0	0	0	111.1	M362 R363 Q368 Y369 P383 E388 Y480 A484 Q488 R491	M362-Y365 HydrophobicContact CE-CG 4.47Å; M362-Y365 HydrophobicContact CG-CD2 3.87Å; M362-Y365 HydrophobicContact CG-CG 4.33Å; M362-Y365 WeakPolarHBondContact O-CB 3.45Å; M362-Y365 PolarHBondContact O-N 3.09Å; R363-Y365 PolarHBondContact O-N 3.32Å; Y365-Q368 WeakPolarHBondContact O-CB 3.44Å; Y365-Q368 PolarHBondContact O-N 2.8Å; Y365-Y369 WeakPolarHBondContact O-CD2 3.47Å; Y365-Y369 WeakPolarHBondContact O-CE2 3.23Å; Y365-P383 HydrophobicContact CD1-CG 3.87Å; Y365-P383 HydrophobicContact CE1-CG 3.51Å; Y365-E388 WeakPolarHBondContact CE1-OE2 3.36Å; Y365-E388 PolarHBondContact OH-OE2 3.17Å; Y365-Y480 HydrophobicContact CD1-CE1 4.49Å; Y365-Y480 WeakPolarHBondContact CD1-OH 3.23Å; Y365-A484 HydrophobicContact CD1-CB 3.91Å; Y365-A484 HydrophobicContact CE1-CB 3.88Å; Y365-A484 HydrophobicContact CG-CB 4.49Å; Y365-Q488 HydrophobicContact CE2-CG 3.86Å; Y365-R491 PolarHBondContact OH-NH1 3.32Å
366	L	93.9	Very high	91.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-72.2	-33.6	-177.2	-61.8	172.4	0	0	0	112.3	I151 V255 L359 M362 R363 Q368 Y369 F370 F373 F481	I151-L366 HydrophobicContact CD1-CD2 3.45Å; I151-L366 VanDerWaalsContact CD1-CD2 3.45Å; I151-L366 HydrophobicContact CG1-CD2 3.92Å; V255-L366 HydrophobicContact CG1-CD1 4.15Å; V255-L366 HydrophobicContact CG1-CD2 4.31Å; L359-L366 HydrophobicContact CD2-CD1 4.16Å; L359-L366 WeakPolarHBondContact O-CD1 3.2Å; M362-L366 HydrophobicContact CB-CD1 4.19Å; M362-L366 HydrophobicContact CB-CG 4.49Å; M362-L366 PolarHBondContact O-N 3.5Å; R363-L366 CarbonylContact O-C 3.59Å; R363-L366 PolarHBondContact O-N 2.78Å; L366-Q368 PolarHBondContact O-N 3.28Å; L366-Y369 PolarHBondContact O-N 2.8Å; L366-F370 PolarHBondContact O-N 3.47Å; L366-F373 HydrophobicContact CB-CD1 3.79Å; L366-F373 HydrophobicContact CB-CE1 4.14Å; L366-F373 HydrophobicContact CB-CG 4.27Å; L366-F373 HydrophobicContact CD1-CD1 3.97Å; L366-F373 HydrophobicContact CD1-CE1 3.42Å; L366-F373 VanDerWaalsContact CD1-CE1 3.42Å; L366-F373 HydrophobicContact CD1-CE2 4.42Å; L366-F373 HydrophobicContact CD1-CZ 3.69Å; L366-F373 HydrophobicContact CG-CE1 4.41Å; L366-F481 HydrophobicContact CD2-CD1 4.36Å; L366-F481 HydrophobicContact CD2-CE1 3.94Å
367	Q	91.9	Very high	90.5	Very high	26 Å²	26	36.6 Å²	36.6	12%	0.121	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.6	176.8	-80	173.1	-22.8	0	0	113.5	R363 Y369 F370 E371 F373 Y374	R363-Q367 WeakPolarHBondContact O-CB 3.37Å; R363-Q367 VanDerWaalsContact O-CG 3.23Å; R363-Q367 WeakPolarHBondContact O-CG 3.45Å; R363-Q367 PolarHBondContact O-N 3.37Å; Q367-Y369 PolarHBondContact O-N 2.96Å; Q367-F370 WeakPolarHBondContact CA-O 3.33Å; Q367-E371 PolarHBondContact O-N 3.19Å; Q367-F373 WeakPolarHBondContact CG-O 3.16Å; Q367-F373 PolarHBondContact NE2-O 2.73Å; Q367-Y374 PolarHBondContact NE2-O 3.06Å
368	Q	89.8	Confident	88.9	Confident	68 Å²	68	41.4 Å²	41.4	32%	0.318	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	172	-171.6	-177.9	-3.1	0	0	112.4	S140 Y365 L366 P382	S140-Q368 PolarHBondContact OG-NE2 3.19Å; Y365-Q368 WeakPolarHBondContact O-CB 3.44Å; Y365-Q368 PolarHBondContact O-N 2.8Å; L366-Q368 PolarHBondContact O-N 3.28Å; Q368-P382 HydrophobicContact CB-CB 4.38Å
369	Y	92.8	Very high	87.1	Confident	20 Å²	20	49.2 Å²	49.2	8%	0.078	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-30.4	-175.5	-52.5	-81	0	0	0	112.7	A139 R144 I147 Y365 L366 Q367 F481	A139-Y369 WeakPolarHBondContact O-CE1 3.2Å; R144-Y369 PolarHBondContact NE-O 3.24Å; R144-Y369 VanDerWaalsContact NE-O 3.13Å; I147-Y369 HydrophobicContact CD1-CD1 3.62Å; I147-Y369 HydrophobicContact CD1-CE1 3.49Å; I147-Y369 VanDerWaalsContact CD1-CE1 3.49Å; I147-Y369 HydrophobicContact CD1-CG 4.22Å; I147-Y369 HydrophobicContact CG1-CD1 3.64Å; I147-Y369 HydrophobicContact CG1-CE1 4.05Å; I147-Y369 HydrophobicContact CG1-CG 4.12Å; I147-Y369 HydrophobicContact CG2-CD1 4.32Å; I147-Y369 HydrophobicContact CG2-CD2 4.27Å; I147-Y369 HydrophobicContact CG2-CG 3.92Å; Y365-Y369 WeakPolarHBondContact O-CD2 3.47Å; Y365-Y369 WeakPolarHBondContact O-CE2 3.23Å; L366-Y369 PolarHBondContact O-N 2.8Å; Q367-Y369 PolarHBondContact O-N 2.96Å; Y369-F481 HydrophobicContact CD2-CE1 4.2Å; Y369-F481 AromaticContact CD2-CZ 3.82Å; Y369-F481 HydrophobicContact CD2-CZ 3.82Å; Y369-F481 AromaticContact CE2-CE1 3.9Å; Y369-F481 HydrophobicContact CE2-CE1 3.9Å; Y369-F481 AromaticContact CE2-CZ 3.54Å; Y369-F481 HydrophobicContact CE2-CZ 3.54Å
370	F	93.2	Very high	85.7	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.009	28%	0.283	C	S	.	.			trans	-130.1	82.1	-179.6	-50.8	-73.2	0	0	0	108.8	R144 I147 K148 I151 N254 V255 L366 Q367 D372 F373	R144-F370 HydrophobicContact CB-CE1 3.92Å; R144-F370 HydrophobicContact CB-CZ 4.42Å; R144-F370 HydrophobicContact CG-CD1 4.32Å; R144-F370 HydrophobicContact CG-CE1 3.8Å; I147-F370 HydrophobicContact CB-CZ 4.42Å; I147-F370 HydrophobicContact CG2-CE2 3.67Å; I147-F370 HydrophobicContact CG2-CZ 3.94Å; K148-F370 HydrophobicContact CG-CE1 4.35Å; K148-F370 HydrophobicContact CG-CZ 3.78Å; I151-F370 HydrophobicContact CD1-CE2 3.91Å; N254-F370 HydrophobicContact CB-CB 4.17Å; N254-F370 HydrophobicContact CB-CD1 3.77Å; N254-F370 HydrophobicContact CB-CE1 4.3Å; N254-F370 HydrophobicContact CB-CG 3.91Å; N254-F370 WeakPolarHBondContact O-CE1 3.24Å; N254-F370 WeakPolarHBondContact O-CE2 3.36Å; N254-F370 WeakPolarHBondContact O-CZ 3.33Å; V255-F370 HydrophobicContact CG1-CD2 4.21Å; V255-F370 HydrophobicContact CG1-CE2 4.27Å; L366-F370 PolarHBondContact O-N 3.47Å; Q367-F370 WeakPolarHBondContact CA-O 3.33Å; F370-D372 PolarHBondContact O-N 3.37Å; F370-D372 VanDerWaalsContact O-N 3.09Å; F370-F373 HydrophobicContact CB-CB 3.95Å; F370-F373 WeakPolarHBondContact O-CB 2.96Å; F370-F373 PolarHBondContact O-N 3.44Å
371	E	89.2	Confident	84.6	Confident	152 Å²	152	64.7 Å²	64.7	71%	0.71	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.1	-175.4	-65	175.4	-176.6	0	0	113.1	Q367 F373	Q367-E371 PolarHBondContact O-N 3.19Å; E371-F373 VanDerWaalsContact C-N 3.27Å; E371-F373 PolarHBondContact O-N 3.19Å
372	D	88.5	Confident	83.7	Confident	113 Å²	113	66.2 Å²	66.2	60%	0.604	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.3	178.9	-59.2	-35.2	0	0	0	114.1	Y251 F370 Y374 P375	Y251-D372 WeakPolarHBondContact CD1-O 3.46Å; Y251-D372 WeakPolarHBondContact CE1-O 3.29Å; F370-D372 PolarHBondContact O-N 3.37Å; F370-D372 VanDerWaalsContact O-N 3.09Å; D372-Y374 PolarHBondContact O-N 2.72Å; D372-Y374 VanDerWaalsContact O-N 3.13Å; D372-P375 WeakPolarHBondContact O-CD 3.44Å
373	F	92	Very high	83.1	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-72.2	107.4	-178.8	-173.9	-94.4	0	0	0	110.3	Y251 V255 L359 R363 L366 Q367 F370 E371	Y251-F373 VanDerWaalsContact O-CD2 3.3Å; Y251-F373 WeakPolarHBondContact O-CD2 3.47Å; Y251-F373 WeakPolarHBondContact O-CE2 3.08Å; V255-F373 HydrophobicContact CB-CE2 4.45Å; V255-F373 HydrophobicContact CG1-CD2 3.86Å; V255-F373 HydrophobicContact CG1-CE2 3.68Å; V255-F373 HydrophobicContact CG1-CZ 4.33Å; V255-F373 HydrophobicContact CG2-CE2 3.84Å; L359-F373 HydrophobicContact CB-CZ 4.19Å; R363-F373 HydrophobicContact CB-CD1 3.77Å; R363-F373 HydrophobicContact CB-CE1 3.77Å; L366-F373 HydrophobicContact CB-CD1 3.79Å; L366-F373 HydrophobicContact CB-CE1 4.14Å; L366-F373 HydrophobicContact CB-CG 4.27Å; L366-F373 HydrophobicContact CD1-CD1 3.97Å; L366-F373 HydrophobicContact CD1-CE1 3.42Å; L366-F373 VanDerWaalsContact CD1-CE1 3.42Å; L366-F373 HydrophobicContact CD1-CE2 4.42Å; L366-F373 HydrophobicContact CD1-CZ 3.69Å; L366-F373 HydrophobicContact CG-CE1 4.41Å; Q367-F373 WeakPolarHBondContact CG-O 3.16Å; Q367-F373 PolarHBondContact NE2-O 2.73Å; F370-F373 HydrophobicContact CB-CB 3.95Å; F370-F373 WeakPolarHBondContact O-CB 2.96Å; F370-F373 PolarHBondContact O-N 3.44Å; E371-F373 VanDerWaalsContact C-N 3.27Å; E371-F373 PolarHBondContact O-N 3.19Å
374	Y	90.6	Very high	83	Confident	4 Å²	4	70 Å²	70	2%	0.016	36%	0.361	C	S	.	.	S	Bend	trans	46	63.9	-179.2	-79.9	-89.6	0	0	0	112.7	A228 L234 I248 Y251 Y360 Q367 D372 T376	A228-Y374 VanDerWaalsContact O-CE1 3.31Å; A228-Y374 WeakPolarHBondContact O-CE1 3.49Å; A228-Y374 PolarHBondContact O-OH 2.99Å; L234-Y374 HydrophobicContact CD2-CD1 3.24Å; L234-Y374 HydrophobicContact CD2-CE1 3.33Å; L234-Y374 HydrophobicContact CD2-CG 4.45Å; I248-Y374 HydrophobicContact CG1-CE1 4.38Å; I248-Y374 VanDerWaalsContact CG2-OH 3.32Å; I248-Y374 WeakPolarHBondContact CG2-OH 3.31Å; Y251-Y374 HydrophobicContact CD2-CD1 4.08Å; Y251-Y374 AromaticContact CD2-CD2 3.63Å; Y251-Y374 HydrophobicContact CD2-CD2 3.63Å; Y251-Y374 HydrophobicContact CD2-CE1 4.25Å; Y251-Y374 AromaticContact CD2-CE2 3.78Å; Y251-Y374 HydrophobicContact CD2-CE2 3.78Å; Y251-Y374 AromaticContact CD2-CG 3.8Å; Y251-Y374 HydrophobicContact CD2-CG 3.8Å; Y251-Y374 HydrophobicContact CE2-CD1 4.21Å; Y251-Y374 HydrophobicContact CE2-CD2 4.45Å; Y251-Y374 HydrophobicContact CE2-CG 4.18Å; Y251-Y374 HydrophobicContact CG-CD2 4.15Å; Y251-Y374 HydrophobicContact CG-CE2 4.39Å; Y360-Y374 AromaticContact CD2-CD1 3.27Å; Y360-Y374 HydrophobicContact CD2-CD1 3.27Å; Y360-Y374 HydrophobicContact CD2-CD2 4.09Å; Y360-Y374 AromaticContact CD2-CE1 3.4Å; Y360-Y374 HydrophobicContact CD2-CE1 3.4Å; Y360-Y374 HydrophobicContact CD2-CE2 4.21Å; Y360-Y374 AromaticContact CD2-CG 3.62Å; Y360-Y374 HydrophobicContact CD2-CG 3.62Å; Y360-Y374 AromaticContact CD2-CZ 3.88Å; Y360-Y374 AromaticContact CE2-CD1 3.46Å; Y360-Y374 HydrophobicContact CE2-CD1 3.46Å; Y360-Y374 VanDerWaalsContact CE2-CD1 3.46Å; Y360-Y374 AromaticContact CE2-CE1 3.83Å; Y360-Y374 HydrophobicContact CE2-CE1 3.83Å; Y360-Y374 HydrophobicContact CE2-CG 4.05Å; Y360-Y374 HydrophobicContact CG-CE1 4.36Å; Q367-Y374 PolarHBondContact NE2-O 3.06Å; D372-Y374 PolarHBondContact O-N 2.72Å; D372-Y374 VanDerWaalsContact O-N 3.13Å; Y374-T376 WeakPolarHBondContact O-CG2 3.39Å; Y374-T376 PolarHBondContact O-N 3.43Å
375	P	83.5	Confident	83.2	Confident	58 Å²	58	68.3 Å²	68.3	38%	0.377	35%	0.353	S	S	.	.			trans	-58.4	136.5	-173	27.6	-34.2	0	0	0	110.2	Y251 D372	Y251-P375 VanDerWaalsContact OH-CD 3.23Å; Y251-P375 WeakPolarHBondContact OH-CD 3.45Å; D372-P375 WeakPolarHBondContact O-CD 3.44Å
376	T	74.8	Confident	83.3	Confident	46 Å²	46	69 Å²	69	28%	0.282	36%	0.356	S	S	.	.			trans	-115.6	144.2	179.6	77.1	0	0	0	0	110.7	Y374 N378	Y374-T376 WeakPolarHBondContact O-CG2 3.39Å; Y374-T376 PolarHBondContact O-N 3.43Å; T376-N378 PolarHBondContact O-N 3.05Å; T376-N378 PolarHBondContact OG1-N 3.34Å
377	N	69.1	Low	83.1	Confident	128 Å²	128	70.3 Å²	70.3	68%	0.684	37%	0.37	S	S	*	.	S	Bend	trans	-73.1	-4.7	168.7	-67.6	-13	0	0	0	112.8	N235	N235-N377 PolarHBondContact ND2-ND2 3.46Å; N235-N377 PolarHBondContact ND2-OD1 3.05Å
378	N	64.5	Low	83.2	Confident	102 Å²	102	69.2 Å²	69.2	55%	0.545	37%	0.365	S	S	.	.	S	Bend	trans	-78.7	130.2	-177.5	-73.3	-22.9	0	0	0	109.9	T376 K380	T376-N378 PolarHBondContact O-N 3.05Å; T376-N378 PolarHBondContact OG1-N 3.34Å; N378-K380 PolarHBondContact O-N 3.09Å
379	D	59.2	Low	83.5	Confident	164 Å²	164	66 Å²	66	88%	0.877	35%	0.35	S	S	*	.			trans	-67.7	14.5	173.1	-63.2	-44.8	0	0	0	113.9	K381	D379-K381 PolarHBondContact O-N 3.3Å
380	K	68.5	Low	83.4	Confident	151 Å²	151	66.4 Å²	66.4	66%	0.657	35%	0.352	S	S	*	.			trans	-70.6	96	178.4	-74.9	-169.7	179.7	-177.2	0	108.6	N378	N378-K380 PolarHBondContact O-N 3.09Å
381	K	72.2	Confident	83.3	Confident	189 Å²	189	70.6 Å²	70.6	82%	0.822	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-56.4	143.5	172.5	-64.5	-174.9	179.3	-175.8	0	110.1	D379	D379-K381 PolarHBondContact O-N 3.3Å
382	P	74	Confident	83.5	Confident	51 Å²	51	63.9 Å²	63.9	33%	0.331	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-50	145.8	169	-27.1	35	0	0	0	110.9	Q368	Q368-P382 HydrophobicContact CB-CB 4.38Å
383	P	81.5	Confident	83.7	Confident	38 Å²	38	58.5 Å²	58.5	25%	0.247	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64.1	142.7	177.9	31	-35.7	0	0	0	109.9	Y365 E388	Y365-P383 HydrophobicContact CD1-CG 3.87Å; Y365-P383 HydrophobicContact CE1-CG 3.51Å; P383-E388 HydrophobicContact CB-CG 3.61Å; P383-E388 HydrophobicContact CG-CG 4.2Å
384	T	90.7	Very high	83.7	Confident	90 Å²	90	59.5 Å²	59.5	55%	0.552	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-86.7	147	175.7	65.1	0	0	0	0	109.9	F386 G387 E388	T384-F386 PolarHBondContact O-N 3.45Å; T384-F386 VanDerWaalsContact O-N 3.14Å; T384-G387 PolarHBondContact O-N 3.33Å; T384-G387 PolarHBondContact OG1-N 3.39Å; T384-E388 PolarHBondContact O-N 2.6Å
385	C	94.6	Very high	83.7	Confident	16 Å²	16	60.4 Å²	60.4	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-50.9	-42.8	177.7	-60.9	0	0	0	0	112.7	Y133 C136 T137 T389	Y133-C385 HydrophobicContact CD2-CB 4.06Å; Y133-C385 HydrophobicContact CE2-CB 3.99Å; C136-C385 HydrophobicContact CB-CB 3.6Å; C136-C385 WeakPolarHBondContact CB-SG 3.31Å; C136-C385 WeakPolarHBondContact SG-CA 3.18Å; C136-C385 WeakPolarHBondContact SG-CB 3.35Å; C136-C385 CovalentContact SG-SG 2.04Å; C136-C385 PolarHBondContact SG-SG 2.84Å; T137-C385 HydrophobicContact CG2-CB 4.17Å; C385-T389 WeakPolarHBondContact O-CB 3.45Å; C385-T389 PolarHBondContact O-N 2.94Å; C385-T389 PolarHBondContact O-OG1 2.94Å
386	F	94.2	Very high	84.1	Confident	29 Å²	29	57.7 Å²	57.7	13%	0.127	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-43.7	177.2	-178.8	-110.6	0	0	0	112.7	D108 I111 M112 L115 Y133 T384 E388 T389 K390	D108-F386 HydrophobicContact CB-CE1 3.6Å; D108-F386 HydrophobicContact CB-CZ 3.7Å; D108-F386 VanDerWaalsContact CG-CE1 3.43Å; D108-F386 VanDerWaalsContact O-CZ 3.3Å; D108-F386 WeakPolarHBondContact O-CZ 3.37Å; I111-F386 HydrophobicContact CB-CE2 4.14Å; I111-F386 HydrophobicContact CB-CZ 4.08Å; I111-F386 HydrophobicContact CG2-CE2 3.79Å; I111-F386 HydrophobicContact CG2-CZ 4.08Å; M112-F386 HydrophobicContact CB-CE2 4.28Å; M112-F386 HydrophobicContact CE-CB 4.03Å; M112-F386 HydrophobicContact CE-CD2 3.28Å; M112-F386 HydrophobicContact CE-CE2 3.76Å; M112-F386 HydrophobicContact CE-CG 3.7Å; M112-F386 HydrophobicContact SD-CD2 4.11Å; M112-F386 HydrophobicContact SD-CE2 4.41Å; L115-F386 HydrophobicContact CD1-CD2 3.91Å; L115-F386 HydrophobicContact CD1-CE2 4.08Å; Y133-F386 HydrophobicContact CE2-CB 4.1Å; T384-F386 PolarHBondContact O-N 3.45Å; T384-F386 VanDerWaalsContact O-N 3.14Å; F386-E388 PolarHBondContact O-N 3.34Å; F386-T389 PolarHBondContact O-N 2.81Å; F386-K390 HydrophobicContact CD1-CD 3.8Å; F386-K390 HydrophobicContact CD2-CD 4.47Å; F386-K390 HydrophobicContact CE1-CD 3.21Å; F386-K390 HydrophobicContact CE1-CG 4.28Å; F386-K390 HydrophobicContact CE2-CD 3.99Å; F386-K390 HydrophobicContact CE2-CG 4.28Å; F386-K390 HydrophobicContact CG-CD 4.4Å; F386-K390 HydrophobicContact CZ-CD 3.33Å; F386-K390 HydrophobicContact CZ-CG 4.09Å; F386-K390 WeakPolarHBondContact O-CB 3.34Å; F386-K390 PolarHBondContact O-N 3Å
387	G	91.4	Very high	85	Confident	30 Å²	30	55.5 Å²	55.5	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-44.6	177.8	0	0	0	0	0	112.3	T384 K390 E391	T384-G387 PolarHBondContact O-N 3.33Å; T384-G387 PolarHBondContact OG1-N 3.39Å; G387-K390 PolarHBondContact O-N 3.21Å; G387-E391 PolarHBondContact O-N 2.97Å
388	E	92.8	Very high	86.1	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-41.2	175.8	-68.4	-161	-102.3	0	0	113.1	F132 Y365 P383 T384 F386 K390 E391 N392 Y480 S487 R491	F132-E388 HydrophobicContact CE1-CB 3.83Å; F132-E388 HydrophobicContact CZ-CB 4.12Å; Y365-E388 WeakPolarHBondContact CE1-OE2 3.36Å; Y365-E388 PolarHBondContact OH-OE2 3.17Å; P383-E388 HydrophobicContact CB-CG 3.61Å; P383-E388 HydrophobicContact CG-CG 4.2Å; T384-E388 PolarHBondContact O-N 2.6Å; F386-E388 PolarHBondContact O-N 3.34Å; E388-K390 VanDerWaalsContact C-N 3.3Å; E388-K390 PolarHBondContact O-N 3.49Å; E388-E391 PolarHBondContact O-N 2.87Å; E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 3.01Å; E388-N392 PolarHBondContact O-ND2 3.33Å; E388-Y480 PolarHBondContact OE1-OH 2.86Å; E388-S487 PolarHBondContact OE2-OG 2.74Å; E388-R491 IonicContact OE2-NH2 2.64Å
389	T	95.5	Very high	87.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-45.1	177.6	-54.8	0	0	0	0	109.6	L115 A129 F132 C385 F386 E391 N392 F393	L115-T389 HydrophobicContact CD1-CG2 3.77Å; L115-T389 HydrophobicContact CD2-CG2 3.71Å; L115-T389 HydrophobicContact CG-CG2 4.41Å; A129-T389 HydrophobicContact CB-CG2 4.35Å; F132-T389 WeakPolarHBondContact CD1-OG1 3.48Å; C385-T389 WeakPolarHBondContact O-CB 3.45Å; C385-T389 PolarHBondContact O-N 2.94Å; C385-T389 PolarHBondContact O-OG1 2.94Å; F386-T389 PolarHBondContact O-N 2.81Å; T389-E391 VanDerWaalsContact C-N 3.31Å; T389-E391 PolarHBondContact O-N 3.17Å; T389-N392 PolarHBondContact O-N 3.49Å; T389-F393 HydrophobicContact CG2-CD2 3.84Å; T389-F393 HydrophobicContact CG2-CE2 4.44Å; T389-F393 WeakPolarHBondContact O-CB 3.22Å; T389-F393 VanDerWaalsContact O-CD2 3.31Å; T389-F393 WeakPolarHBondContact O-CD2 3.47Å; T389-F393 PolarHBondContact O-N 2.92Å
390	K	92.3	Very high	88.9	Confident	30 Å²	30	42.8 Å²	42.8	13%	0.13	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-39	176.3	-83.3	174	52.3	-178	0	113.8	D108 I111 F386 G387 E388 W394 I397 Q509 Y512	D108-K390 IonicContact OD1-NZ 3.12Å; D108-K390 PolarHBondContact OD1-NZ 2.67Å; D108-K390 IonicContact OD2-NZ 3.45Å; I111-K390 HydrophobicContact CD1-CD 4.29Å; I111-K390 HydrophobicContact CD1-CG 4.48Å; I111-K390 HydrophobicContact CG2-CG 4.13Å; F386-K390 HydrophobicContact CD1-CD 3.8Å; F386-K390 HydrophobicContact CD2-CD 4.47Å; F386-K390 HydrophobicContact CE1-CD 3.21Å; F386-K390 HydrophobicContact CE1-CG 4.28Å; F386-K390 HydrophobicContact CE2-CD 3.99Å; F386-K390 HydrophobicContact CE2-CG 4.28Å; F386-K390 HydrophobicContact CG-CD 4.4Å; F386-K390 HydrophobicContact CZ-CD 3.33Å; F386-K390 HydrophobicContact CZ-CG 4.09Å; F386-K390 WeakPolarHBondContact O-CB 3.34Å; F386-K390 PolarHBondContact O-N 3Å; G387-K390 PolarHBondContact O-N 3.21Å; E388-K390 VanDerWaalsContact C-N 3.3Å; E388-K390 PolarHBondContact O-N 3.49Å; K390-W394 WeakPolarHBondContact O-CA 3.4Å; K390-W394 PolarHBondContact O-N 3.41Å; K390-I397 HydrophobicContact CG-CD1 4.24Å; K390-Q509 PolarHBondContact O-NE2 3.18Å; K390-Y512 PolarHBondContact NZ-OH 2.85Å
391	E	90.1	Very high	90.1	Very high	90 Å²	90	36 Å²	36	42%	0.421	19%	0.185	S	C	.	.	H	α-helix	trans	-73.1	-45.2	-178.8	-170.9	-175.6	176.7	0	0	111.7	G387 E388 T389 R491	G387-E391 PolarHBondContact O-N 2.97Å; E388-E391 PolarHBondContact O-N 2.87Å; T389-E391 VanDerWaalsContact C-N 3.31Å; T389-E391 PolarHBondContact O-N 3.17Å; E391-R491 WeakPolarHBondContact OE1-CD 3.31Å; E391-R491 IonicContact OE1-CZ 3.84Å; E391-R491 IonicContact OE1-NE 3.05Å; E391-R491 PolarHBondContact OE1-NE 3.49Å; E391-R491 IonicContact OE2-CZ 2.73Å; E391-R491 VanDerWaalsContact OE2-CZ 3.24Å; E391-R491 IonicContact OE2-NE 2.94Å; E391-R491 PolarHBondContact OE2-NE 3.06Å; E391-R491 IonicContact OE2-NH2 2.61Å; E391-R491 PolarHBondContact OE2-NH2 3Å
392	N	93	Very high	91	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-73.6	-32.5	-177.6	-76	-54.6	0	0	0	113.3	E388 T389 D468 I470 S487	E388-N392 WeakPolarHBondContact O-CB 3.45Å; E388-N392 PolarHBondContact O-N 3.01Å; E388-N392 PolarHBondContact O-ND2 3.33Å; T389-N392 PolarHBondContact O-N 3.49Å; N392-D468 VanDerWaalsContact O-CB 3.29Å; N392-D468 WeakPolarHBondContact O-CB 3.41Å; N392-I470 HydrophobicContact CB-CB 4.44Å; N392-I470 HydrophobicContact CB-CD1 3.84Å; N392-I470 HydrophobicContact CB-CG2 4.15Å; N392-S487 WeakPolarHBondContact ND2-CB 3.44Å; N392-S487 PolarHBondContact ND2-OG 3.29Å; N392-S487 WeakPolarHBondContact OD1-CA 3.36Å
393	F	94.1	Very high	91.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	28.8	-177.6	-59	-83.4	0	0	0	112	V128 A129 F132 T389 W395 T396 I397 D468 I470 L471 L475	V128-F393 HydrophobicContact CB-CE1 4.42Å; V128-F393 HydrophobicContact CG1-CE1 3.9Å; V128-F393 HydrophobicContact CG1-CZ 4.06Å; A129-F393 HydrophobicContact CB-CB 3.92Å; A129-F393 HydrophobicContact CB-CD1 3.61Å; A129-F393 HydrophobicContact CB-CD2 3.76Å; A129-F393 HydrophobicContact CB-CE1 4.02Å; A129-F393 HydrophobicContact CB-CE2 4.18Å; A129-F393 HydrophobicContact CB-CG 3.46Å; A129-F393 VanDerWaalsContact CB-CG 3.46Å; A129-F393 HydrophobicContact CB-CZ 4.29Å; F132-F393 HydrophobicContact CB-CE2 3.55Å; F132-F393 HydrophobicContact CB-CZ 3.83Å; F132-F393 HydrophobicContact CD1-CE2 4Å; F132-F393 HydrophobicContact CD2-CE2 4.06Å; F132-F393 HydrophobicContact CD2-CZ 4.41Å; F132-F393 AromaticContact CG-CE2 3.61Å; F132-F393 HydrophobicContact CG-CE2 3.61Å; F132-F393 HydrophobicContact CG-CZ 4.19Å; T389-F393 HydrophobicContact CG2-CD2 3.84Å; T389-F393 HydrophobicContact CG2-CE2 4.44Å; T389-F393 WeakPolarHBondContact O-CB 3.22Å; T389-F393 VanDerWaalsContact O-CD2 3.31Å; T389-F393 WeakPolarHBondContact O-CD2 3.47Å; T389-F393 PolarHBondContact O-N 2.92Å; F393-W395 VanDerWaalsContact C-N 3.28Å; F393-W395 PolarHBondContact O-N 3.22Å; F393-T396 PolarHBondContact O-N 3.41Å; F393-I397 HydrophobicContact CB-CD1 4.37Å; F393-I397 WeakPolarHBondContact O-CB 3.21Å; F393-I397 WeakPolarHBondContact O-CD1 3.38Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.33Å; F393-I397 PolarHBondContact O-N 3.23Å; F393-D468 VanDerWaalsContact C-OD1 3.24Å; F393-D468 VanDerWaalsContact CA-CG 3.5Å; F393-D468 WeakPolarHBondContact CA-OD1 3.47Å; F393-I470 HydrophobicContact CD1-CG2 4.27Å; F393-I470 HydrophobicContact CE1-CG2 3.77Å; F393-I470 HydrophobicContact CE2-CG2 4.45Å; F393-I470 HydrophobicContact CZ-CD1 4.49Å; F393-I470 HydrophobicContact CZ-CG2 3.88Å; F393-L471 HydrophobicContact CE1-CD2 3.87Å; F393-L471 HydrophobicContact CE1-CG 4.49Å; F393-L475 HydrophobicContact CZ-CD1 3.82Å
394	W	90.9	Very high	92.4	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-44.6	-178.9	179.9	94.1	0	0	0	111.2	K390 N398 L460 I464 D468 D506 L508 Q509	K390-W394 WeakPolarHBondContact O-CA 3.4Å; K390-W394 PolarHBondContact O-N 3.41Å; W394-N398 VanDerWaalsContact CD2-ND2 3.33Å; W394-N398 PolarHBondContact NE1-ND2 3.04Å; W394-N398 WeakPolarHBondContact O-CB 3.49Å; W394-N398 PolarHBondContact O-N 2.87Å; W394-N398 VanDerWaalsContact O-N 3.09Å; W394-N398 PolarHBondContact O-ND2 3.14Å; W394-L460 HydrophobicContact CH2-CD1 3.93Å; W394-L460 HydrophobicContact CH2-CD2 4Å; W394-L460 HydrophobicContact CZ3-CD1 4.26Å; W394-I464 HydrophobicContact CH2-CD1 3.98Å; W394-I464 HydrophobicContact CZ3-CD1 4.06Å; W394-D468 PolarHBondContact N-OD1 2.8Å; W394-D506 PolarHBondContact NE1-O 3.46Å; W394-L508 PolarHBondContact NE1-O 2.71Å; W394-Q509 VanDerWaalsContact CD1-NE2 3.31Å
395	W	90.3	Very high	92.6	Very high	23 Å²	23	29.7 Å²	29.7	9%	0.087	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-46.3	-179.2	-177.5	90	0	0	0	111.1	F393 I397 N398 K399 E466 R467 D468	F393-W395 VanDerWaalsContact C-N 3.28Å; F393-W395 PolarHBondContact O-N 3.22Å; W395-I397 PolarHBondContact O-N 3.1Å; W395-N398 PolarHBondContact O-N 3.13Å; W395-K399 HydrophobicContact CD2-CD 4.38Å; W395-K399 HydrophobicContact CE3-CD 4.18Å; W395-K399 HydrophobicContact CH2-CD 3.14Å; W395-K399 HydrophobicContact CZ2-CD 3.36Å; W395-K399 HydrophobicContact CZ3-CD 3.58Å; W395-K399 VanDerWaalsContact O-CB 3.25Å; W395-K399 WeakPolarHBondContact O-CB 3.46Å; W395-K399 PolarHBondContact O-N 2.63Å; W395-E466 PolarHBondContact NE1-O 3.42Å; W395-E466 VanDerWaalsContact NE1-O 3.12Å; W395-R467 HydrophobicContact CE3-CB 4.42Å; W395-R467 HydrophobicContact CE3-CG 4.46Å; W395-R467 HydrophobicContact CH2-CG 3.93Å; W395-R467 HydrophobicContact CZ2-CG 4.23Å; W395-R467 HydrophobicContact CZ3-CB 4.45Å; W395-R467 HydrophobicContact CZ3-CG 4.08Å; W395-D468 WeakPolarHBondContact CA-OD1 3.5Å; W395-D468 VanDerWaalsContact CB-OD1 3.27Å; W395-D468 WeakPolarHBondContact CB-OD1 3.33Å; W395-D468 PolarHBondContact N-OD1 2.88Å
396	T	92.9	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-46.4	177.8	-70.9	0	0	0	0	112.1	M114 S125 V126 F393 N398 K399 E400 D468	M114-T396 HydrophobicContact CE-CG2 4.46Å; S125-T396 WeakPolarHBondContact CB-OG1 3.49Å; S125-T396 WeakPolarHBondContact OG-CG2 3.26Å; V126-T396 HydrophobicContact CB-CG2 4.47Å; V126-T396 HydrophobicContact CG2-CG2 3.68Å; F393-T396 PolarHBondContact O-N 3.41Å; T396-N398 VanDerWaalsContact C-N 3.35Å; T396-N398 PolarHBondContact O-N 2.86Å; T396-K399 PolarHBondContact O-N 2.94Å; T396-E400 HydrophobicContact CG2-CG 4.25Å; T396-E400 WeakPolarHBondContact O-CB 3.05Å; T396-E400 WeakPolarHBondContact O-CG 3.23Å; T396-E400 PolarHBondContact O-N 3.42Å; T396-D468 WeakPolarHBondContact CB-OD2 3.38Å; T396-D468 PolarHBondContact N-OD2 3.47Å; T396-D468 PolarHBondContact OG1-OD2 2.65Å
397	I	93.6	Very high	92.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-45.9	178.4	-67.3	163.4	0	0	0	110.2	I111 M114 K390 F393 W395 K399 H401 S404 I511	I111-I397 HydrophobicContact CD1-CG2 4.27Å; I111-I397 HydrophobicContact CG1-CG2 4Å; I111-I397 HydrophobicContact CG2-CD1 3.95Å; I111-I397 HydrophobicContact CG2-CG1 4.47Å; I111-I397 HydrophobicContact CG2-CG2 4.34Å; M114-I397 HydrophobicContact SD-CG1 4.38Å; M114-I397 HydrophobicContact SD-CG2 4.49Å; K390-I397 HydrophobicContact CG-CD1 4.24Å; F393-I397 HydrophobicContact CB-CD1 4.37Å; F393-I397 WeakPolarHBondContact O-CB 3.21Å; F393-I397 WeakPolarHBondContact O-CD1 3.38Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.33Å; F393-I397 PolarHBondContact O-N 3.23Å; W395-I397 PolarHBondContact O-N 3.1Å; I397-K399 VanDerWaalsContact C-N 3.3Å; I397-K399 PolarHBondContact O-N 3.04Å; I397-H401 WeakPolarHBondContact O-CB 3.4Å; I397-H401 PolarHBondContact O-N 2.87Å; I397-S404 PolarHBondContact O-OG 2.78Å; I397-I511 HydrophobicContact CG2-CD1 3.76Å
398	N	92.3	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-74.5	-19.3	-178.3	-70.8	-53.6	0	0	0	114.3	W394 W395 T396 S404 L460 Q509 L510	W394-N398 VanDerWaalsContact CD2-ND2 3.33Å; W394-N398 PolarHBondContact NE1-ND2 3.04Å; W394-N398 WeakPolarHBondContact O-CB 3.49Å; W394-N398 PolarHBondContact O-N 2.87Å; W394-N398 VanDerWaalsContact O-N 3.09Å; W394-N398 PolarHBondContact O-ND2 3.14Å; W395-N398 PolarHBondContact O-N 3.13Å; T396-N398 VanDerWaalsContact C-N 3.35Å; T396-N398 PolarHBondContact O-N 2.86Å; N398-S404 WeakPolarHBondContact O-CB 3.37Å; N398-S404 PolarHBondContact O-OG 3.3Å; N398-L460 HydrophobicContact CB-CD1 3.56Å; N398-Q509 PolarHBondContact ND2-OE1 2.81Å; N398-Q509 PolarHBondContact OD1-OE1 2.95Å; N398-L510 HydrophobicContact CB-CD1 4.07Å; N398-L510 HydrophobicContact CB-CG 4Å; N398-L510 VanDerWaalsContact OD1-CB 3.3Å; N398-L510 WeakPolarHBondContact OD1-CB 3.38Å; N398-L510 WeakPolarHBondContact OD1-CG 3.45Å; N398-L510 PolarHBondContact OD1-N 3.15Å
399	K	91.2	Very high	93	Very high	61 Å²	61	40.3 Å²	40.3	27%	0.265	20%	0.195	S	C	.	.	H	α-helix	trans	-86.3	-50.9	175.6	-179.1	171.8	-177.5	125.3	0	112.3	W395 T396 I397 D461	W395-K399 HydrophobicContact CD2-CD 4.38Å; W395-K399 HydrophobicContact CE3-CD 4.18Å; W395-K399 HydrophobicContact CH2-CD 3.14Å; W395-K399 HydrophobicContact CZ2-CD 3.36Å; W395-K399 HydrophobicContact CZ3-CD 3.58Å; W395-K399 VanDerWaalsContact O-CB 3.25Å; W395-K399 WeakPolarHBondContact O-CB 3.46Å; W395-K399 PolarHBondContact O-N 2.63Å; T396-K399 PolarHBondContact O-N 2.94Å; I397-K399 VanDerWaalsContact C-N 3.3Å; I397-K399 PolarHBondContact O-N 3.04Å; K399-D461 IonicContact NZ-OD1 3.35Å; K399-D461 PolarHBondContact NZ-OD1 3.08Å; K399-D461 IonicContact NZ-OD2 3.88Å; K399-D461 PolarHBondContact NZ-OD2 3.22Å
400	E	91.7	Very high	93	Very high	65 Å²	65	40.6 Å²	40.6	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-89.6	-22.1	-164.1	-59.1	-59.7	150.9	0	0	112.7	M114 V123 V126 T396	M114-E400 HydrophobicContact CE-CB 4.11Å; V123-E400 HydrophobicContact CG1-CG 3.86Å; V126-E400 HydrophobicContact CG2-CB 3.9Å; V126-E400 HydrophobicContact CG2-CG 3.99Å; T396-E400 HydrophobicContact CG2-CG 4.25Å; T396-E400 WeakPolarHBondContact O-CB 3.05Å; T396-E400 WeakPolarHBondContact O-CG 3.23Å; T396-E400 PolarHBondContact O-N 3.42Å
401	H	92.8	Very high	93.3	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.037	20%	0.202	C	C	.	.			trans	-77.1	135.1	-175.9	-166.8	-92.4	0	0	0	112.4	I110 M114 Y120 I397 Y403 S404 I511	I110-H401 WeakPolarHBondContact CG2-CE1 3.5Å; I110-H401 VanDerWaalsContact CG2-NE2 3.34Å; I110-H401 WeakPolarHBondContact CG2-NE2 3.42Å; M114-H401 HydrophobicContact SD-CB 3.98Å; Y120-H401 PolarHBondContact OH-CD2 2.89Å; I397-H401 WeakPolarHBondContact O-CB 3.4Å; I397-H401 PolarHBondContact O-N 2.87Å; H401-Y403 VanDerWaalsContact C-N 3.3Å; H401-Y403 AromaticContact CE1-CD2 3.38Å; H401-Y403 WeakPolarHBondContact CE1-CD2 3.08Å; H401-Y403 AromaticContact CE1-CG 3.92Å; H401-Y403 WeakPolarHBondContact ND1-CB 2.88Å; H401-Y403 AromaticContact ND1-CD2 4Å; H401-Y403 PolarHBondContact ND1-N 2.9Å; H401-Y403 VanDerWaalsContact ND1-N 3.19Å; H401-Y403 PolarHBondContact O-N 3.17Å; H401-S404 WeakPolarHBondContact O-CA 3.47Å; H401-S404 WeakPolarHBondContact O-CB 3.27Å; H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 2.62Å; H401-I511 HydrophobicContact CB-CD1 3.78Å; H401-I511 HydrophobicContact CB-CG1 4.49Å; H401-I511 VanDerWaalsContact ND1-CD1 3.35Å; H401-I511 WeakPolarHBondContact ND1-CD1 3.4Å
402	K	91.1	Very high	93.6	Very high	136 Å²	136	41.5 Å²	41.5	59%	0.591	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-58.2	-37	-176.8	72.3	-172.7	-177.8	-172.5	0	114.1	S404 S405	K402-S404 PolarHBondContact O-N 3.48Å; K402-S405 PolarHBondContact O-N 2.8Å
403	Y	92.2	Very high	93.8	Very high	50 Å²	50	43 Å²	43	20%	0.196	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.3	177.4	-76.7	-107.2	0	0	0	113.1	F105 I110 H401 S405 S526 H530	F105-Y403 HydrophobicContact CE2-CD1 4.2Å; F105-Y403 AromaticContact CE2-CE1 3.94Å; F105-Y403 HydrophobicContact CE2-CE1 3.94Å; F105-Y403 HydrophobicContact CZ-CD1 4.49Å; I110-Y403 HydrophobicContact CD1-CE1 4.37Å; I110-Y403 HydrophobicContact CG2-CD2 4.27Å; H401-Y403 VanDerWaalsContact C-N 3.3Å; H401-Y403 AromaticContact CE1-CD2 3.38Å; H401-Y403 WeakPolarHBondContact CE1-CD2 3.08Å; H401-Y403 AromaticContact CE1-CG 3.92Å; H401-Y403 WeakPolarHBondContact ND1-CB 2.88Å; H401-Y403 AromaticContact ND1-CD2 4Å; H401-Y403 PolarHBondContact ND1-N 2.9Å; H401-Y403 VanDerWaalsContact ND1-N 3.19Å; H401-Y403 PolarHBondContact O-N 3.17Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; Y403-S526 WeakPolarHBondContact O-CB 3.33Å; Y403-S526 PolarHBondContact O-OG 3.21Å; Y403-H530 HydrophobicContact CD1-CB 3.34Å; Y403-H530 AromaticContact CD1-CD2 3.71Å; Y403-H530 AromaticContact CD1-CG 3.41Å; Y403-H530 VanDerWaalsContact CD1-CG 3.41Å; Y403-H530 HydrophobicContact CE1-CB 3.36Å; Y403-H530 AromaticContact CE1-CG 3.83Å; Y403-H530 HydrophobicContact CG-CB 4.46Å; Y403-H530 PolarHBondContact O-CD2 3.04Å; Y403-H530 PolarHBondContact O-NE2 3.19Å
404	S	93.3	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-82.3	-10.7	174.3	-50.3	0	0	0	0	112.8	I397 N398 H401 K402 D456 S457 I511 S526	I397-S404 PolarHBondContact O-OG 2.78Å; N398-S404 WeakPolarHBondContact O-CB 3.37Å; N398-S404 PolarHBondContact O-OG 3.3Å; H401-S404 WeakPolarHBondContact O-CA 3.47Å; H401-S404 WeakPolarHBondContact O-CB 3.27Å; H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 2.62Å; K402-S404 PolarHBondContact O-N 3.48Å; S404-D456 CarbonylContact O-C 3.6Å; S404-D456 VanDerWaalsContact O-CA 3.28Å; S404-D456 WeakPolarHBondContact O-CA 3.39Å; S404-D456 VanDerWaalsContact O-CB 3.27Å; S404-D456 WeakPolarHBondContact O-CB 3.09Å; S404-S457 PolarHBondContact O-N 3.22Å; S404-I511 WeakPolarHBondContact OG-CG1 3.36Å; S404-S526 WeakPolarHBondContact CA-OG 3.48Å; S404-S526 PolarHBondContact O-OG 3.4Å
405	S	94.1	Very high	94.2	Very high	50 Å²	50	44.5 Å²	44.5	35%	0.35	22%	0.22	S	C	.	.			trans	-103.1	150.6	-179.4	-58.9	0	0	0	0	111.7	K402 Y403 S457 H530	K402-S405 PolarHBondContact O-N 2.8Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; S405-S457 PolarHBondContact OG-OG 2.86Å; S405-H530 PolarHBondContact O-NE2 2.97Å
406	I	95.1	Very high	94.5	Very high	18 Å²	18	48 Å²	48	9%	0.092	24%	0.237	C	C	.	.			trans	-124.9	130	175.1	-52.4	162.5	0	0	0	109.4	T410 K411 M454 D456 L529	I406-T410 HydrophobicContact CG2-CG2 3.66Å; I406-K411 HydrophobicContact CB-CG 4.18Å; I406-K411 HydrophobicContact CG2-CG 3.59Å; I406-M454 HydrophobicContact CD1-CB 4.01Å; I406-D456 HydrophobicContact CB-CB 4.33Å; I406-D456 HydrophobicContact CD1-CB 3.62Å; I406-D456 HydrophobicContact CG1-CB 3.71Å; I406-D456 PolarHBondContact N-OD2 3.41Å; I406-L529 HydrophobicContact CD1-CD1 3.64Å; I406-L529 HydrophobicContact CG1-CD1 4.01Å; I406-L529 HydrophobicContact CG2-CD1 3.78Å
407	S	95	Very high	94.7	Very high	47 Å²	47	48 Å²	48	33%	0.329	24%	0.238	S	C	.	.			trans	-65.3	148.3	175.9	77.2	0	0	0	0	111.2	T409 T410 K411 E536	S407-T409 VanDerWaalsContact C-N 3.25Å; S407-T409 PolarHBondContact O-N 3.04Å; S407-T410 PolarHBondContact O-N 2.99Å; S407-T410 VanDerWaalsContact O-N 3.14Å; S407-T410 VanDerWaalsContact OG-CB 3.32Å; S407-T410 WeakPolarHBondContact OG-CB 3.18Å; S407-T410 PolarHBondContact OG-N 2.85Å; S407-T410 VanDerWaalsContact OG-N 3.08Å; S407-T410 PolarHBondContact OG-OG1 2.81Å; S407-K411 PolarHBondContact O-N 2.95Å; S407-E536 WeakPolarHBondContact CB-OE1 3.28Å; S407-E536 PolarHBondContact OG-OE1 2.96Å
408	K	95.4	Very high	94.9	Very high	160 Å²	160	48.3 Å²	48.3	70%	0.696	24%	0.239	S	C	*	.	H	α-helix	trans	-56.3	-43.2	175.5	-176.6	179.8	176.7	-176.6	0	111.4	T410 K411 D412	K408-T410 VanDerWaalsContact C-N 3.33Å; K408-T410 PolarHBondContact O-N 3.17Å; K408-K411 PolarHBondContact O-N 3.42Å; K408-D412 PolarHBondContact O-N 3.28Å
409	T	95.9	Very high	95.1	Very high	75 Å²	75	52.8 Å²	52.8	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-55.5	-47.5	175.8	-49.8	0	0	0	0	111.6	S407 K411 D412 E413	S407-T409 VanDerWaalsContact C-N 3.25Å; S407-T409 PolarHBondContact O-N 3.04Å; T409-K411 PolarHBondContact O-N 2.95Å; T409-D412 PolarHBondContact O-N 3.44Å; T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.05Å
410	T	96.5	Very high	95.4	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-43.5	177.2	-66.7	0	0	0	0	111.7	I406 S407 K408 D412 E413 V414 L529 W534	I406-T410 HydrophobicContact CG2-CG2 3.66Å; S407-T410 PolarHBondContact O-N 2.99Å; S407-T410 VanDerWaalsContact O-N 3.14Å; S407-T410 VanDerWaalsContact OG-CB 3.32Å; S407-T410 WeakPolarHBondContact OG-CB 3.18Å; S407-T410 PolarHBondContact OG-N 2.85Å; S407-T410 VanDerWaalsContact OG-N 3.08Å; S407-T410 PolarHBondContact OG-OG1 2.81Å; K408-T410 VanDerWaalsContact C-N 3.33Å; K408-T410 PolarHBondContact O-N 3.17Å; T410-D412 VanDerWaalsContact C-N 3.34Å; T410-D412 PolarHBondContact O-N 3.29Å; T410-E413 PolarHBondContact O-N 2.93Å; T410-V414 HydrophobicContact CG2-CG2 4.32Å; T410-V414 WeakPolarHBondContact O-CB 3.38Å; T410-V414 VanDerWaalsContact O-CG2 3.27Å; T410-V414 WeakPolarHBondContact O-CG2 3.3Å; T410-V414 PolarHBondContact O-N 3.2Å; T410-L529 HydrophobicContact CG2-CB 4.1Å; T410-L529 HydrophobicContact CG2-CD1 4.14Å; T410-W534 HydrophobicContact CG2-CD2 4.31Å; T410-W534 HydrophobicContact CG2-CG 4.4Å; T410-W534 HydrophobicContact CG2-CZ2 4.08Å; T410-W534 VanDerWaalsContact CG2-NE1 3.26Å; T410-W534 PolarHBondContact OG1-NE1 3.01Å
411	K	97.1	Very high	95.6	Very high	53 Å²	53	49.4 Å²	49.4	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-44.5	175.8	-66.5	-172	-176.2	-173.8	0	111.9	I406 S407 K408 T409 N415 M454 D456	I406-K411 HydrophobicContact CB-CG 4.18Å; I406-K411 HydrophobicContact CG2-CG 3.59Å; S407-K411 PolarHBondContact O-N 2.95Å; K408-K411 PolarHBondContact O-N 3.42Å; T409-K411 PolarHBondContact O-N 2.95Å; K411-N415 WeakPolarHBondContact O-CB 3.49Å; K411-N415 PolarHBondContact O-N 2.94Å; K411-N415 PolarHBondContact O-ND2 3.09Å; K411-M454 HydrophobicContact CB-CE 3.82Å; K411-M454 HydrophobicContact CB-SD 4.17Å; K411-M454 HydrophobicContact CG-CE 4.03Å; K411-M454 HydrophobicContact CG-SD 3.98Å; K411-D456 WeakPolarHBondContact CE-OD2 3.46Å; K411-D456 IonicContact NZ-OD1 3.75Å; K411-D456 PolarHBondContact NZ-OD1 3.24Å; K411-D456 IonicContact NZ-OD2 2.75Å; K411-D456 PolarHBondContact NZ-OD2 3.45Å
412	D	97.3	Very high	95.8	Very high	86 Å²	86	50.6 Å²	50.6	46%	0.46	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-43.7	-179	-69	-19.9	0	0	0	111.2	K408 T409 T410 N415 Q416	K408-D412 PolarHBondContact O-N 3.28Å; T409-D412 PolarHBondContact O-N 3.44Å; T410-D412 VanDerWaalsContact C-N 3.34Å; T410-D412 PolarHBondContact O-N 3.29Å; D412-N415 PolarHBondContact O-N 3.01Å; D412-Q416 WeakPolarHBondContact O-CB 3.49Å; D412-Q416 PolarHBondContact O-N 3.23Å
413	E	96.5	Very high	96	Very high	41 Å²	41	50 Å²	50	19%	0.192	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-42.9	176.5	-72.2	-171.2	-172.4	0	0	112.8	T409 T410 Q416 M417 W534 K543	T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.05Å; T410-E413 PolarHBondContact O-N 2.93Å; E413-Q416 WeakPolarHBondContact O-CB 3.46Å; E413-Q416 PolarHBondContact O-N 3.2Å; E413-M417 WeakPolarHBondContact O-CG 3.48Å; E413-M417 PolarHBondContact O-N 2.97Å; E413-W534 HydrophobicContact CB-CH2 3.72Å; E413-W534 HydrophobicContact CB-CZ2 3.83Å; E413-W534 WeakPolarHBondContact OE2-CH2 3.45Å; E413-W534 WeakPolarHBondContact OE2-CZ2 3.47Å; E413-K543 IonicContact OE1-NZ 2.8Å; E413-K543 IonicContact OE2-NZ 3.88Å; E413-K543 PolarHBondContact OE2-NZ 2.91Å
414	V	97	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-45.2	176.4	167.2	0	0	0	0	110.8	T410 Q416 M417 F418 M454 I524 L529 W534 F547	T410-V414 HydrophobicContact CG2-CG2 4.32Å; T410-V414 WeakPolarHBondContact O-CB 3.38Å; T410-V414 VanDerWaalsContact O-CG2 3.27Å; T410-V414 WeakPolarHBondContact O-CG2 3.3Å; T410-V414 PolarHBondContact O-N 3.2Å; V414-Q416 VanDerWaalsContact C-N 3.3Å; V414-Q416 PolarHBondContact O-N 3.31Å; V414-M417 PolarHBondContact O-N 2.91Å; V414-F418 VanDerWaalsContact O-CB 3.32Å; V414-F418 WeakPolarHBondContact O-CB 3.3Å; V414-F418 PolarHBondContact O-N 2.82Å; V414-M454 HydrophobicContact CB-SD 4.21Å; V414-M454 HydrophobicContact CG1-SD 3.97Å; V414-I524 HydrophobicContact CG1-CD1 3.96Å; V414-L529 HydrophobicContact CG2-CD1 4.4Å; V414-L529 HydrophobicContact CG2-CD2 3.85Å; V414-W534 HydrophobicContact CG2-CE3 4.44Å; V414-W534 HydrophobicContact CG2-CH2 4.06Å; V414-W534 HydrophobicContact CG2-CZ2 4.44Å; V414-W534 HydrophobicContact CG2-CZ3 4.05Å; V414-F547 HydrophobicContact CB-CE1 4.38Å; V414-F547 HydrophobicContact CG1-CE1 3.88Å; V414-F547 HydrophobicContact CG1-CZ 4.07Å; V414-F547 HydrophobicContact CG2-CD1 4.46Å; V414-F547 HydrophobicContact CG2-CE1 3.82Å; V414-F547 HydrophobicContact CG2-CZ 4.2Å
415	N	97.5	Very high	96.3	Very high	54 Å²	54	48.5 Å²	48.5	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-40.3	175.4	-79.8	-40.1	0	0	0	111.9	K411 D412 F418 N419 V452	K411-N415 WeakPolarHBondContact O-CB 3.49Å; K411-N415 PolarHBondContact O-N 2.94Å; K411-N415 PolarHBondContact O-ND2 3.09Å; D412-N415 PolarHBondContact O-N 3.01Å; N415-F418 PolarHBondContact O-N 2.68Å; N415-N419 WeakPolarHBondContact O-CB 3.35Å; N415-N419 VanDerWaalsContact O-CG 3.28Å; N415-N419 PolarHBondContact O-N 3.11Å; N415-N419 PolarHBondContact O-ND2 3.28Å; N415-N419 VanDerWaalsContact O-ND2 3.08Å; N415-V452 VanDerWaalsContact OD1-CG1 3.23Å; N415-V452 WeakPolarHBondContact OD1-CG1 3.49Å
416	Q	96.6	Very high	96.3	Very high	95 Å²	95	48.1 Å²	48.1	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-50.3	175.6	-178.9	178.3	2.6	0	0	111.4	D412 E413 V414 F418 N419 E420	D412-Q416 WeakPolarHBondContact O-CB 3.49Å; D412-Q416 PolarHBondContact O-N 3.23Å; E413-Q416 WeakPolarHBondContact O-CB 3.46Å; E413-Q416 PolarHBondContact O-N 3.2Å; V414-Q416 VanDerWaalsContact C-N 3.3Å; V414-Q416 PolarHBondContact O-N 3.31Å; Q416-F418 VanDerWaalsContact C-N 3.31Å; Q416-F418 PolarHBondContact O-N 3.2Å; Q416-N419 PolarHBondContact O-N 3.4Å; Q416-E420 HydrophobicContact CG-CG 4.47Å; Q416-E420 VanDerWaalsContact CG-OE1 3.24Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.09Å; Q416-E420 PolarHBondContact NE2-OE1 2.98Å; Q416-E420 WeakPolarHBondContact O-CB 3.22Å; Q416-E420 WeakPolarHBondContact O-CG 3.38Å; Q416-E420 PolarHBondContact O-N 3.02Å
417	M	96.8	Very high	96.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-43.7	177.2	-71.9	-178.7	62.5	0	0	111.8	E413 V414 N419 E420 M421 W534 K543 Y544 F547	E413-M417 WeakPolarHBondContact O-CG 3.48Å; E413-M417 PolarHBondContact O-N 2.97Å; V414-M417 PolarHBondContact O-N 2.91Å; M417-N419 PolarHBondContact O-N 3.28Å; M417-E420 PolarHBondContact O-N 3.44Å; M417-M421 HydrophobicContact CB-CE 4.19Å; M417-M421 WeakPolarHBondContact O-CB 3.43Å; M417-M421 WeakPolarHBondContact O-CE 3.29Å; M417-M421 WeakPolarHBondContact O-CG 3.47Å; M417-M421 PolarHBondContact O-N 3.18Å; M417-W534 HydrophobicContact SD-CH2 4.08Å; M417-W534 HydrophobicContact SD-CZ3 3.76Å; M417-K543 HydrophobicContact SD-CB 4.35Å; M417-Y544 HydrophobicContact CE-CD1 3.92Å; M417-Y544 HydrophobicContact CE-CD2 3.88Å; M417-Y544 HydrophobicContact CE-CE1 4.03Å; M417-Y544 HydrophobicContact CE-CE2 4.03Å; M417-Y544 HydrophobicContact CE-CG 3.84Å; M417-Y544 HydrophobicContact CG-CE1 4.48Å; M417-Y544 HydrophobicContact CG-CE2 3.86Å; M417-Y544 HydrophobicContact SD-CD2 4.46Å; M417-Y544 HydrophobicContact SD-CE2 4.27Å; M417-F547 HydrophobicContact CE-CD1 4.38Å
418	F	97.4	Very high	96.2	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-48.1	176.1	175.4	-111.7	0	0	0	112	V414 N415 Q416 M421 K422 I450 V452 I522 L551 I555	V414-F418 VanDerWaalsContact O-CB 3.32Å; V414-F418 WeakPolarHBondContact O-CB 3.3Å; V414-F418 PolarHBondContact O-N 2.82Å; N415-F418 PolarHBondContact O-N 2.68Å; Q416-F418 VanDerWaalsContact C-N 3.31Å; Q416-F418 PolarHBondContact O-N 3.2Å; F418-M421 PolarHBondContact O-N 3.13Å; F418-K422 HydrophobicContact CD1-CD 4.1Å; F418-K422 HydrophobicContact CD2-CD 4.48Å; F418-K422 HydrophobicContact CD2-CG 4.5Å; F418-K422 HydrophobicContact CE1-CD 3.44Å; F418-K422 VanDerWaalsContact CE1-CD 3.44Å; F418-K422 HydrophobicContact CE1-CG 4.39Å; F418-K422 HydrophobicContact CE2-CD 3.86Å; F418-K422 HydrophobicContact CE2-CG 4.12Å; F418-K422 HydrophobicContact CZ-CD 3.32Å; F418-K422 HydrophobicContact CZ-CG 4.09Å; F418-K422 WeakPolarHBondContact O-CG 3.3Å; F418-K422 PolarHBondContact O-N 3.39Å; F418-I450 HydrophobicContact CE2-CG2 4.06Å; F418-I450 HydrophobicContact CZ-CB 4.49Å; F418-I450 HydrophobicContact CZ-CG2 3.94Å; F418-V452 HydrophobicContact CD1-CB 4.18Å; F418-V452 HydrophobicContact CD1-CG1 3.92Å; F418-V452 HydrophobicContact CD2-CB 4.44Å; F418-V452 HydrophobicContact CE1-CB 4.13Å; F418-V452 HydrophobicContact CE1-CG1 4.14Å; F418-V452 HydrophobicContact CE2-CB 4.41Å; F418-V452 HydrophobicContact CG-CB 4.31Å; F418-V452 HydrophobicContact CG-CG1 4.32Å; F418-V452 HydrophobicContact CZ-CB 4.23Å; F418-I522 HydrophobicContact CD2-CD1 4.44Å; F418-I522 HydrophobicContact CE2-CD1 3.84Å; F418-L551 HydrophobicContact CB-CD2 3.99Å; F418-L551 HydrophobicContact CD2-CD1 4.06Å; F418-L551 HydrophobicContact CD2-CD2 4.45Å; F418-I555 HydrophobicContact CD2-CD1 3.95Å; F418-I555 HydrophobicContact CD2-CG1 4.26Å; F418-I555 HydrophobicContact CE2-CD1 4.19Å; F418-I555 HydrophobicContact CE2-CG1 4.08Å
419	N	96.9	Very high	95.9	Very high	93 Å²	93	42 Å²	42	50%	0.497	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-40.1	179.1	-72.1	-34.1	0	0	0	112.5	N415 Q416 M417 K422 H423	N415-N419 WeakPolarHBondContact O-CB 3.35Å; N415-N419 VanDerWaalsContact O-CG 3.28Å; N415-N419 PolarHBondContact O-N 3.11Å; N415-N419 PolarHBondContact O-ND2 3.28Å; N415-N419 VanDerWaalsContact O-ND2 3.08Å; Q416-N419 PolarHBondContact O-N 3.4Å; M417-N419 PolarHBondContact O-N 3.28Å; N419-K422 PolarHBondContact O-N 3.37Å; N419-H423 WeakPolarHBondContact O-CB 3.4Å; N419-H423 PolarHBondContact O-N 3.24Å
420	E	96.7	Very high	95.7	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.257	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-44.3	175.1	-76	174.9	-163	0	0	111.1	Q416 M417 K424 Y544 R624	Q416-E420 HydrophobicContact CG-CG 4.47Å; Q416-E420 VanDerWaalsContact CG-OE1 3.24Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.09Å; Q416-E420 PolarHBondContact NE2-OE1 2.98Å; Q416-E420 WeakPolarHBondContact O-CB 3.22Å; Q416-E420 WeakPolarHBondContact O-CG 3.38Å; Q416-E420 PolarHBondContact O-N 3.02Å; M417-E420 PolarHBondContact O-N 3.44Å; E420-K424 WeakPolarHBondContact O-CB 3.17Å; E420-K424 PolarHBondContact O-N 3.17Å; E420-Y544 PolarHBondContact OE2-OH 3.15Å; E420-R624 VanDerWaalsContact CD-NH2 3.32Å; E420-R624 IonicContact OE1-CZ 2.73Å; E420-R624 IonicContact OE1-NE 3.97Å; E420-R624 IonicContact OE1-NH2 2.75Å; E420-R624 PolarHBondContact OE1-NH2 2.99Å; E420-R624 IonicContact OE2-CZ 2.82Å; E420-R624 IonicContact OE2-NE 3.02Å; E420-R624 PolarHBondContact OE2-NE 3.18Å; E420-R624 IonicContact OE2-NH2 3.67Å; E420-R624 PolarHBondContact OE2-NH2 3.24Å
421	M	97.1	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-43.2	176.1	-75.6	-174.1	-77.2	0	0	112.7	M417 F418 H423 K424 L425 L551 I555 L616 A620	M417-M421 HydrophobicContact CB-CE 4.19Å; M417-M421 WeakPolarHBondContact O-CB 3.43Å; M417-M421 WeakPolarHBondContact O-CE 3.29Å; M417-M421 WeakPolarHBondContact O-CG 3.47Å; M417-M421 PolarHBondContact O-N 3.18Å; F418-M421 PolarHBondContact O-N 3.13Å; M421-H423 VanDerWaalsContact C-N 3.35Å; M421-H423 PolarHBondContact O-N 2.81Å; M421-K424 PolarHBondContact O-N 3.08Å; M421-L425 WeakPolarHBondContact O-CB 3.14Å; M421-L425 PolarHBondContact O-N 3.5Å; M421-L551 HydrophobicContact CE-CB 3.94Å; M421-L551 HydrophobicContact CE-CD2 3.32Å; M421-L551 HydrophobicContact CE-CG 3.56Å; M421-I555 HydrophobicContact CB-CD1 3.83Å; M421-I555 HydrophobicContact CE-CD1 4.47Å; M421-L616 HydrophobicContact CB-CD2 4.2Å; M421-L616 HydrophobicContact CB-CG 4.16Å; M421-L616 HydrophobicContact CG-CG 4.29Å; M421-L616 WeakPolarHBondContact O-CD1 3.33Å; M421-A620 HydrophobicContact CG-CB 3.76Å
422	K	95.8	Very high	94.8	Very high	33 Å²	33	49.4 Å²	49.4	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-49.5	174.5	-83.1	-174.7	57.1	168.4	0	111.6	F418 N419 K424 L425 T426 V447 S448 I450	F418-K422 HydrophobicContact CD1-CD 4.1Å; F418-K422 HydrophobicContact CD2-CD 4.48Å; F418-K422 HydrophobicContact CD2-CG 4.5Å; F418-K422 HydrophobicContact CE1-CD 3.44Å; F418-K422 VanDerWaalsContact CE1-CD 3.44Å; F418-K422 HydrophobicContact CE1-CG 4.39Å; F418-K422 HydrophobicContact CE2-CD 3.86Å; F418-K422 HydrophobicContact CE2-CG 4.12Å; F418-K422 HydrophobicContact CZ-CD 3.32Å; F418-K422 HydrophobicContact CZ-CG 4.09Å; F418-K422 WeakPolarHBondContact O-CG 3.3Å; F418-K422 PolarHBondContact O-N 3.39Å; N419-K422 PolarHBondContact O-N 3.37Å; K422-K424 VanDerWaalsContact C-N 3.31Å; K422-K424 PolarHBondContact O-N 3.01Å; K422-L425 PolarHBondContact O-N 2.79Å; K422-T426 PolarHBondContact O-N 2.81Å; K422-T426 PolarHBondContact O-OG1 2.88Å; K422-V447 HydrophobicContact CB-CG1 4.39Å; K422-V447 WeakPolarHBondContact CE-O 3.43Å; K422-V447 HydrophobicContact CG-CG1 4.38Å; K422-V447 PolarHBondContact NZ-O 2.05Å; K422-S448 PolarHBondContact NZ-O 3.4Å; K422-I450 PolarHBondContact NZ-O 3.38Å
423	H	96	Very high	94.2	Very high	123 Å²	123	50.9 Å²	50.9	57%	0.569	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-44	177.4	-177.7	-53.7	0	0	0	111	N419 M421 L425 T426 E427	N419-H423 WeakPolarHBondContact O-CB 3.4Å; N419-H423 PolarHBondContact O-N 3.24Å; M421-H423 VanDerWaalsContact C-N 3.35Å; M421-H423 PolarHBondContact O-N 2.81Å; H423-L425 VanDerWaalsContact C-N 3.33Å; H423-L425 PolarHBondContact O-N 2.83Å; H423-T426 PolarHBondContact O-N 2.85Å; H423-E427 WeakPolarHBondContact O-CB 3.5Å; H423-E427 PolarHBondContact O-N 3.41Å
424	K	96.2	Very high	93.5	Very high	17 Å²	17	50.6 Å²	50.6	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-37.8	179.8	-173.6	56.9	179.4	173.7	0	111.8	E420 M421 K422 E427 L428 L616 E619 A620	E420-K424 WeakPolarHBondContact O-CB 3.17Å; E420-K424 PolarHBondContact O-N 3.17Å; M421-K424 PolarHBondContact O-N 3.08Å; K422-K424 VanDerWaalsContact C-N 3.31Å; K422-K424 PolarHBondContact O-N 3.01Å; K424-E427 IonicContact NZ-OE1 3.11Å; K424-E427 PolarHBondContact NZ-OE1 2.85Å; K424-E427 IonicContact NZ-OE2 3.92Å; K424-E427 WeakPolarHBondContact O-CB 3.18Å; K424-E427 PolarHBondContact O-N 3.43Å; K424-L428 HydrophobicContact CD-CG 4.42Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 HydrophobicContact CG-CG 4.46Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.34Å; K424-L428 PolarHBondContact O-N 3.28Å; K424-L616 HydrophobicContact CB-CD1 4.03Å; K424-L616 HydrophobicContact CG-CD1 4.14Å; K424-E619 HydrophobicContact CD-CB 4.38Å; K424-E619 HydrophobicContact CG-CB 3.92Å; K424-E619 IonicContact NZ-OE2 3.22Å; K424-A620 HydrophobicContact CB-CB 4.34Å
425	L	95	Very high	92.6	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-45.8	175.8	-176.8	56.8	0	0	0	111.2	M421 K422 H423 E427 L428 L429 V447 I555 I556 V559 L616 L700	M421-L425 WeakPolarHBondContact O-CB 3.14Å; M421-L425 PolarHBondContact O-N 3.5Å; K422-L425 PolarHBondContact O-N 2.79Å; H423-L425 VanDerWaalsContact C-N 3.33Å; H423-L425 PolarHBondContact O-N 2.83Å; L425-E427 VanDerWaalsContact C-N 3.3Å; L425-E427 PolarHBondContact O-N 3.22Å; L425-L428 PolarHBondContact O-N 3.24Å; L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CD2 4.26Å; L425-L429 HydrophobicContact CD1-CG 3.97Å; L425-L429 HydrophobicContact CG-CD1 3.95Å; L425-L429 HydrophobicContact CG-CG 4.23Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.41Å; L425-V447 HydrophobicContact CB-CG1 4.46Å; L425-V447 HydrophobicContact CD2-CG1 4.22Å; L425-V447 HydrophobicContact CD2-CG2 3.6Å; L425-V447 HydrophobicContact CG-CG1 4.47Å; L425-V447 HydrophobicContact CG-CG2 3.97Å; L425-I555 HydrophobicContact CD2-CG2 3.55Å; L425-I556 HydrophobicContact CD1-CD1 3.91Å; L425-I556 HydrophobicContact CD2-CD1 4.05Å; L425-V559 HydrophobicContact CD2-CG2 4.24Å; L425-L616 HydrophobicContact CB-CD1 3.76Å; L425-L616 HydrophobicContact CB-CD2 4.02Å; L425-L616 HydrophobicContact CD2-CD2 4.2Å; L425-L616 HydrophobicContact CG-CD2 4.5Å; L425-L700 HydrophobicContact CD1-CD2 4.41Å
426	T	95.2	Very high	91.9	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.258	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-43	174.5	-60.4	0	0	0	0	112	K422 H423 S430 I444	K422-T426 PolarHBondContact O-N 2.81Å; K422-T426 PolarHBondContact O-OG1 2.88Å; H423-T426 PolarHBondContact O-N 2.85Å; T426-S430 VanDerWaalsContact O-CB 3.29Å; T426-S430 WeakPolarHBondContact O-CB 3.45Å; T426-S430 PolarHBondContact O-N 2.88Å; T426-S430 PolarHBondContact O-OG 3.33Å; T426-I444 HydrophobicContact CG2-CG2 3.97Å
427	E	94.6	Very high	91.4	Very high	52 Å²	52	54 Å²	54	24%	0.243	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-47.8	175.7	-172.3	-163.4	131.2	0	0	111.4	H423 K424 L425 S430 Q431 K623	H423-E427 WeakPolarHBondContact O-CB 3.5Å; H423-E427 PolarHBondContact O-N 3.41Å; K424-E427 IonicContact NZ-OE1 3.11Å; K424-E427 PolarHBondContact NZ-OE1 2.85Å; K424-E427 IonicContact NZ-OE2 3.92Å; K424-E427 WeakPolarHBondContact O-CB 3.18Å; K424-E427 PolarHBondContact O-N 3.43Å; L425-E427 VanDerWaalsContact C-N 3.3Å; L425-E427 PolarHBondContact O-N 3.22Å; E427-S430 PolarHBondContact O-N 3.36Å; E427-Q431 WeakPolarHBondContact O-CG 3.45Å; E427-Q431 PolarHBondContact O-N 3.36Å; E427-K623 IonicContact OE2-NZ 3.4Å; E427-K623 PolarHBondContact OE2-NZ 2.88Å
428	L	92.4	Very high	90.9	Very high	44 Å²	44	59.5 Å²	59.5	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-49.1	179.5	-69.6	171.4	0	0	0	111.9	K424 L425 S430 Q431 R432 L616	K424-L428 HydrophobicContact CD-CG 4.42Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 HydrophobicContact CG-CG 4.46Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.34Å; K424-L428 PolarHBondContact O-N 3.28Å; L425-L428 PolarHBondContact O-N 3.24Å; L428-S430 PolarHBondContact O-N 3.43Å; L428-Q431 PolarHBondContact O-N 3.01Å; L428-Q431 VanDerWaalsContact O-N 3.1Å; L428-R432 WeakPolarHBondContact O-CG 3.32Å; L428-R432 PolarHBondContact O-N 3.19Å; L428-R432 VanDerWaalsContact O-N 3.16Å; L428-L616 HydrophobicContact CD1-CD1 4.3Å
429	L	90.2	Very high	90.2	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-33.5	178	-63.8	173.5	0	0	0	111.6	L425 W434 K440 A443 I444 V447 F583 L700	L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CD2 4.26Å; L425-L429 HydrophobicContact CD1-CG 3.97Å; L425-L429 HydrophobicContact CG-CD1 3.95Å; L425-L429 HydrophobicContact CG-CG 4.23Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.41Å; L429-W434 HydrophobicContact CB-CZ2 4.32Å; L429-W434 HydrophobicContact CD2-CH2 4.48Å; L429-W434 HydrophobicContact CD2-CZ2 3.81Å; L429-W434 PolarHBondContact O-NE1 2.7Å; L429-K440 WeakPolarHBondContact O-CE 3.42Å; L429-A443 HydrophobicContact CD1-CB 4.39Å; L429-I444 HydrophobicContact CB-CG1 4.25Å; L429-V447 HydrophobicContact CD1-CG2 3.78Å; L429-F583 HydrophobicContact CD2-CE2 3.99Å; L429-F583 HydrophobicContact CD2-CZ 4.08Å; L429-L700 HydrophobicContact CD2-CD2 4.45Å
430	S	91.1	Very high	89.8	Confident	51 Å²	51	57.1 Å²	57.1	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-68.7	-32.4	177.3	-61.8	0	0	0	0	113.3	T426 E427 L428 K440	T426-S430 VanDerWaalsContact O-CB 3.29Å; T426-S430 WeakPolarHBondContact O-CB 3.45Å; T426-S430 PolarHBondContact O-N 2.88Å; T426-S430 PolarHBondContact O-OG 3.33Å; E427-S430 PolarHBondContact O-N 3.36Å; L428-S430 PolarHBondContact O-N 3.43Å; S430-K440 VanDerWaalsContact O-CE 3.3Å; S430-K440 WeakPolarHBondContact O-CE 3.15Å; S430-K440 PolarHBondContact O-NZ 3.14Å
431	Q	89.7	Confident	89.4	Confident	133 Å²	133	58.5 Å²	58.5	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-84.8	-19.3	-179.4	-70	170.4	4.3	0	0	113.4	E427 L428	E427-Q431 WeakPolarHBondContact O-CG 3.45Å; E427-Q431 PolarHBondContact O-N 3.36Å; L428-Q431 PolarHBondContact O-N 3.01Å; L428-Q431 VanDerWaalsContact O-N 3.1Å
432	R	85	Confident	88.9	Confident	106 Å²	106	62.3 Å²	62.3	40%	0.4	32%	0.322	S	S	.	.	S	Bend	trans	-74.4	152.8	179.2	-71.3	-63.7	-171.5	-149.8	-2.5	112.2	L428 W434 P582 L700	L428-R432 WeakPolarHBondContact O-CG 3.32Å; L428-R432 PolarHBondContact O-N 3.19Å; L428-R432 VanDerWaalsContact O-N 3.16Å; R432-W434 VanDerWaalsContact O-CD1 3.27Å; R432-P582 HydrophobicContact CB-CG 4.26Å; R432-L700 VanDerWaalsContact CZ-O 3.31Å; R432-L700 PolarHBondContact NE-O 2.67Å; R432-L700 PolarHBondContact NE-OXT 3.16Å; R432-L700 PolarHBondContact NH2-O 3.36Å
433	S	83.8	Confident	88.4	Confident	116 Å²	116	60.7 Å²	60.7	81%	0.811	32%	0.315	S	S	*	.			trans	-80.7	127.9	170.7	-57.6	0	0	0	0	109.8
434	W	83.2	Confident	88.1	Confident	36 Å²	36	56 Å²	56	14%	0.136	29%	0.294	C	S	.	.			trans	-116.3	148.3	177.1	-69.2	73.7	0	0	0	110	L429 R432 S436 D439 K440 A443 T581 P582 F583	L429-W434 HydrophobicContact CB-CZ2 4.32Å; L429-W434 HydrophobicContact CD2-CH2 4.48Å; L429-W434 HydrophobicContact CD2-CZ2 3.81Å; L429-W434 PolarHBondContact O-NE1 2.7Å; R432-W434 VanDerWaalsContact O-CD1 3.27Å; W434-S436 VanDerWaalsContact C-N 3.27Å; W434-S436 WeakPolarHBondContact CB-O 3.42Å; W434-D439 HydrophobicContact CE3-CB 4.11Å; W434-D439 HydrophobicContact CZ3-CB 4.26Å; W434-K440 HydrophobicContact CB-CB 4.1Å; W434-K440 HydrophobicContact CD2-CB 3.66Å; W434-K440 HydrophobicContact CD2-CG 4.13Å; W434-K440 HydrophobicContact CE3-CB 4.17Å; W434-K440 HydrophobicContact CG-CB 3.61Å; W434-K440 HydrophobicContact CG-CD 4.12Å; W434-K440 HydrophobicContact CG-CG 3.97Å; W434-A443 HydrophobicContact CH2-CB 3.42Å; W434-A443 VanDerWaalsContact CH2-CB 3.42Å; W434-A443 HydrophobicContact CZ2-CB 4.03Å; W434-A443 HydrophobicContact CZ3-CB 4.13Å; W434-T581 HydrophobicContact CE3-CG2 4.29Å; W434-T581 HydrophobicContact CZ3-CG2 4.05Å; W434-P582 HydrophobicContact CD2-CG 3.93Å; W434-P582 HydrophobicContact CE3-CG 4.38Å; W434-P582 HydrophobicContact CG-CG 4.34Å; W434-P582 HydrophobicContact CH2-CG 4.43Å; W434-P582 HydrophobicContact CZ2-CG 4.01Å; W434-F583 HydrophobicContact CH2-CD2 4.35Å; W434-F583 HydrophobicContact CH2-CE2 4.27Å
435	S	76.9	Confident	87.9	Confident	79 Å²	79	59.8 Å²	59.8	55%	0.552	31%	0.314	S	S	*	.	S	Bend	trans	-68.9	-28	171.9	50	0	0	0	0	112.3
436	S	82.7	Confident	87.6	Confident	34 Å²	34	59.8 Å²	59.8	24%	0.238	31%	0.314	C	S	.	.			trans	-136.5	126.7	-178.1	170.2	0	0	0	0	109.9	W434 D438 D439 K440	W434-S436 VanDerWaalsContact C-N 3.27Å; W434-S436 WeakPolarHBondContact CB-O 3.42Å; S436-D438 VanDerWaalsContact C-N 3.27Å; S436-D438 PolarHBondContact OG-N 3.21Å; S436-D439 VanDerWaalsContact CB-OD2 3.25Å; S436-D439 WeakPolarHBondContact CB-OD2 3.45Å; S436-D439 PolarHBondContact O-N 2.94Å; S436-D439 PolarHBondContact OG-N 3.46Å; S436-D439 PolarHBondContact OG-OD2 3.11Å; S436-K440 PolarHBondContact O-N 2.97Å
437	E	87.8	Confident	87.4	Confident	108 Å²	108	57.8 Å²	57.8	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-31.4	174	-172.7	60.2	-148.1	0	0	111.1	D439 K440 Q441	E437-D439 VanDerWaalsContact C-N 3.32Å; E437-D439 PolarHBondContact O-N 3.18Å; E437-K440 WeakPolarHBondContact O-CB 3.48Å; E437-K440 PolarHBondContact O-N 3Å; E437-Q441 WeakPolarHBondContact O-CG 3.23Å; E437-Q441 PolarHBondContact O-N 3.22Å; E437-Q441 PolarHBondContact OE1-NE2 2.86Å
438	D	86.1	Confident	87.3	Confident	116 Å²	116	58.2 Å²	58.2	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-62.8	-40.9	175.5	-70.3	-20.3	0	0	0	111.2	S436 K440 Q441 K442	S436-D438 VanDerWaalsContact C-N 3.27Å; S436-D438 PolarHBondContact OG-N 3.21Å; D438-K440 VanDerWaalsContact C-N 3.34Å; D438-Q441 PolarHBondContact O-N 3.43Å; D438-K442 WeakPolarHBondContact O-CB 3.38Å; D438-K442 VanDerWaalsContact O-CG 3.26Å; D438-K442 WeakPolarHBondContact O-CG 3.41Å; D438-K442 PolarHBondContact O-N 3.5Å
439	D	82.4	Confident	87.2	Confident	18 Å²	18	60.7 Å²	60.7	10%	0.096	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-34.6	179.2	-63.6	-21.3	0	0	0	111.4	W434 S436 E437 K442 A443 Q568	W434-D439 HydrophobicContact CE3-CB 4.11Å; W434-D439 HydrophobicContact CZ3-CB 4.26Å; S436-D439 VanDerWaalsContact CB-OD2 3.25Å; S436-D439 WeakPolarHBondContact CB-OD2 3.45Å; S436-D439 PolarHBondContact O-N 2.94Å; S436-D439 PolarHBondContact OG-N 3.46Å; S436-D439 PolarHBondContact OG-OD2 3.11Å; E437-D439 VanDerWaalsContact C-N 3.32Å; E437-D439 PolarHBondContact O-N 3.18Å; D439-K442 IonicContact OD1-NZ 3.7Å; D439-K442 PolarHBondContact OD1-NZ 2.87Å; D439-A443 WeakPolarHBondContact O-CB 3.46Å; D439-A443 PolarHBondContact O-N 3.28Å; D439-Q568 PolarHBondContact OD1-NE2 3.37Å; D439-Q568 PolarHBondContact OD2-NE2 3.42Å
440	K	87.4	Confident	87.4	Confident	33 Å²	33	60.7 Å²	60.7	14%	0.143	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-48.8	170.8	-176.8	178.9	-178	-179.5	0	111.7	L429 S430 W434 S436 E437 D438 A443 I444	L429-K440 WeakPolarHBondContact O-CE 3.42Å; S430-K440 VanDerWaalsContact O-CE 3.3Å; S430-K440 WeakPolarHBondContact O-CE 3.15Å; S430-K440 PolarHBondContact O-NZ 3.14Å; W434-K440 HydrophobicContact CB-CB 4.1Å; W434-K440 HydrophobicContact CD2-CB 3.66Å; W434-K440 HydrophobicContact CD2-CG 4.13Å; W434-K440 HydrophobicContact CE3-CB 4.17Å; W434-K440 HydrophobicContact CG-CB 3.61Å; W434-K440 HydrophobicContact CG-CD 4.12Å; W434-K440 HydrophobicContact CG-CG 3.97Å; S436-K440 PolarHBondContact O-N 2.97Å; E437-K440 WeakPolarHBondContact O-CB 3.48Å; E437-K440 PolarHBondContact O-N 3Å; D438-K440 VanDerWaalsContact C-N 3.34Å; K440-A443 PolarHBondContact O-N 2.87Å; K440-I444 HydrophobicContact CG-CD1 4.05Å; K440-I444 WeakPolarHBondContact O-CG1 3.48Å; K440-I444 PolarHBondContact O-N 2.74Å
441	Q	89.5	Confident	87.5	Confident	83 Å²	83	60.8 Å²	60.8	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-40.4	-180	-65.7	-56	-37.7	0	0	111.8	E437 D438 A443 I444 L445	E437-Q441 WeakPolarHBondContact O-CG 3.23Å; E437-Q441 PolarHBondContact O-N 3.22Å; E437-Q441 PolarHBondContact OE1-NE2 2.86Å; D438-Q441 PolarHBondContact O-N 3.43Å; Q441-A443 PolarHBondContact O-N 3.45Å; Q441-I444 PolarHBondContact O-N 2.64Å; Q441-L445 WeakPolarHBondContact O-CB 3.49Å; Q441-L445 VanDerWaalsContact O-CG 3.27Å; Q441-L445 WeakPolarHBondContact O-CG 3.32Å; Q441-L445 PolarHBondContact O-N 3.19Å
442	K	85.8	Confident	87.8	Confident	80 Å²	80	55.9 Å²	55.9	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-44.2	172.9	-73.2	170.7	-168.7	165.2	0	112.3	D438 D439 L445 T446 E564	D438-K442 WeakPolarHBondContact O-CB 3.38Å; D438-K442 VanDerWaalsContact O-CG 3.26Å; D438-K442 WeakPolarHBondContact O-CG 3.41Å; D438-K442 PolarHBondContact O-N 3.5Å; D439-K442 IonicContact OD1-NZ 3.7Å; D439-K442 PolarHBondContact OD1-NZ 2.87Å; K442-L445 PolarHBondContact O-N 3.45Å; K442-T446 VanDerWaalsContact O-CB 3.32Å; K442-T446 WeakPolarHBondContact O-CB 3.43Å; K442-T446 PolarHBondContact O-N 2.84Å; K442-T446 PolarHBondContact O-OG1 3.38Å; K442-E564 HydrophobicContact CD-CB 4.47Å
443	A	85.5	Confident	88.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-44.1	177	0	0	0	0	0	111.7	L429 W434 D439 K440 Q441 T446 V447 L565	L429-A443 HydrophobicContact CD1-CB 4.39Å; W434-A443 HydrophobicContact CH2-CB 3.42Å; W434-A443 VanDerWaalsContact CH2-CB 3.42Å; W434-A443 HydrophobicContact CZ2-CB 4.03Å; W434-A443 HydrophobicContact CZ3-CB 4.13Å; D439-A443 WeakPolarHBondContact O-CB 3.46Å; D439-A443 PolarHBondContact O-N 3.28Å; K440-A443 PolarHBondContact O-N 2.87Å; Q441-A443 PolarHBondContact O-N 3.45Å; A443-T446 WeakPolarHBondContact O-CB 3.27Å; A443-T446 PolarHBondContact O-N 2.95Å; A443-V447 WeakPolarHBondContact O-CG2 3.31Å; A443-V447 PolarHBondContact O-N 3.07Å; A443-L565 HydrophobicContact CB-CD1 4.36Å
444	I	90.9	Very high	88.6	Confident	24 Å²	24	48.3 Å²	48.3	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-45.1	176.5	-70.9	168.1	0	0	0	111.4	T426 L429 K440 Q441 T446 V447 S448	T426-I444 HydrophobicContact CG2-CG2 3.97Å; L429-I444 HydrophobicContact CB-CG1 4.25Å; K440-I444 HydrophobicContact CG-CD1 4.05Å; K440-I444 WeakPolarHBondContact O-CG1 3.48Å; K440-I444 PolarHBondContact O-N 2.74Å; Q441-I444 PolarHBondContact O-N 2.64Å; I444-T446 VanDerWaalsContact C-N 3.33Å; I444-V447 PolarHBondContact O-N 3.32Å; I444-S448 PolarHBondContact O-N 3.21Å
445	L	89.9	Confident	89	Confident	97 Å²	97	46.9 Å²	46.9	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.1	-73.8	171.8	0	0	0	111.2	Q441 K442 V447 S448 N449	Q441-L445 WeakPolarHBondContact O-CB 3.49Å; Q441-L445 VanDerWaalsContact O-CG 3.27Å; Q441-L445 WeakPolarHBondContact O-CG 3.32Å; Q441-L445 PolarHBondContact O-N 3.19Å; K442-L445 PolarHBondContact O-N 3.45Å; L445-V447 PolarHBondContact O-N 3.34Å; L445-S448 PolarHBondContact O-N 3.05Å; L445-S448 VanDerWaalsContact O-N 3.15Å; L445-S448 PolarHBondContact O-OG 3.07Å; L445-N449 PolarHBondContact O-N 3.27Å; L445-N449 PolarHBondContact O-ND2 3.21Å
446	T	88.7	Confident	89.7	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-49.4	174.5	-64.1	0	0	0	0	110.6	K442 A443 I444 S448 N449 I450 V559	K442-T446 VanDerWaalsContact O-CB 3.32Å; K442-T446 WeakPolarHBondContact O-CB 3.43Å; K442-T446 PolarHBondContact O-N 2.84Å; K442-T446 PolarHBondContact O-OG1 3.38Å; A443-T446 WeakPolarHBondContact O-CB 3.27Å; A443-T446 PolarHBondContact O-N 2.95Å; I444-T446 VanDerWaalsContact C-N 3.33Å; T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 3.32Å; T446-N449 PolarHBondContact O-N 3.16Å; T446-N449 VanDerWaalsContact O-N 3.16Å; T446-I450 WeakPolarHBondContact O-CG1 3.24Å; T446-I450 PolarHBondContact O-N 3.3Å; T446-V559 HydrophobicContact CG2-CG2 4.44Å
447	V	92.4	Very high	90.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.3	-45.9	175.4	174.7	0	0	0	0	111.4	K422 L425 L429 A443 I444 L445 N449 I450 V559	K422-V447 HydrophobicContact CB-CG1 4.39Å; K422-V447 WeakPolarHBondContact CE-O 3.43Å; K422-V447 HydrophobicContact CG-CG1 4.38Å; K422-V447 PolarHBondContact NZ-O 2.05Å; L425-V447 HydrophobicContact CB-CG1 4.46Å; L425-V447 HydrophobicContact CD2-CG1 4.22Å; L425-V447 HydrophobicContact CD2-CG2 3.6Å; L425-V447 HydrophobicContact CG-CG1 4.47Å; L425-V447 HydrophobicContact CG-CG2 3.97Å; L429-V447 HydrophobicContact CD1-CG2 3.78Å; A443-V447 WeakPolarHBondContact O-CG2 3.31Å; A443-V447 PolarHBondContact O-N 3.07Å; I444-V447 PolarHBondContact O-N 3.32Å; L445-V447 PolarHBondContact O-N 3.34Å; V447-N449 PolarHBondContact O-N 2.82Å; V447-I450 PolarHBondContact O-N 3.34Å; V447-V559 HydrophobicContact CG2-CG2 3.52Å
448	S	91.4	Very high	90.3	Very high	62 Å²	62	39.1 Å²	39.1	43%	0.434	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-33.8	-178.6	77.5	0	0	0	0	112.8	K422 I444 L445 T446	K422-S448 PolarHBondContact NZ-O 3.4Å; I444-S448 PolarHBondContact O-N 3.21Å; L445-S448 PolarHBondContact O-N 3.05Å; L445-S448 VanDerWaalsContact O-N 3.15Å; L445-S448 PolarHBondContact O-OG 3.07Å; T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 3.32Å
449	N	91.6	Very high	90.5	Very high	96 Å²	96	35.6 Å²	35.6	51%	0.513	20%	0.196	S	C	.	.	H	α-helix	trans	-83.9	-9.5	-178.2	-70.7	-27.7	0	0	0	114.4	L445 T446 V447 S451	L445-N449 PolarHBondContact O-N 3.27Å; L445-N449 PolarHBondContact O-ND2 3.21Å; T446-N449 PolarHBondContact O-N 3.16Å; T446-N449 VanDerWaalsContact O-N 3.16Å; V447-N449 PolarHBondContact O-N 2.82Å; N449-S451 PolarHBondContact O-N 2.73Å
450	I	93	Very high	90.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.193	C	C	.	.			trans	-67.1	130.6	173.9	-59.3	166.6	0	0	0	108.8	F418 K422 T446 V447 R520 I522 I555 A558 V559	F418-I450 HydrophobicContact CE2-CG2 4.06Å; F418-I450 HydrophobicContact CZ-CB 4.49Å; F418-I450 HydrophobicContact CZ-CG2 3.94Å; K422-I450 PolarHBondContact NZ-O 3.38Å; T446-I450 WeakPolarHBondContact O-CG1 3.24Å; T446-I450 PolarHBondContact O-N 3.3Å; V447-I450 PolarHBondContact O-N 3.34Å; I450-R520 WeakPolarHBondContact CA-O 3.31Å; I450-I522 HydrophobicContact CG2-CD1 3.96Å; I450-I522 HydrophobicContact CG2-CG1 3.87Å; I450-I555 HydrophobicContact CD1-CG2 4.26Å; I450-A558 HydrophobicContact CD1-CB 3.72Å; I450-A558 HydrophobicContact CG1-CB 4.06Å; I450-A558 HydrophobicContact CG2-CB 4.47Å; I450-V559 HydrophobicContact CD1-CG2 3.84Å
451	S	94.3	Very high	90.3	Very high	53 Å²	53	37.3 Å²	37.3	37%	0.371	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	162.8	173	54.1	0	0	0	0	110.8	N449 R520 K521 I522	N449-S451 PolarHBondContact O-N 2.73Å; S451-R520 PolarHBondContact N-O 2.92Å; S451-K521 CarbonylContact O-C 3.47Å; S451-K521 WeakPolarHBondContact O-CA 3.2Å; S451-I522 PolarHBondContact O-N 2.97Å
452	V	94.8	Very high	90	Very high	29 Å²	29	40.5 Å²	40.5	18%	0.176	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.8	176.5	69.1	0	0	0	0	109.6	N415 F418 I522 I524	N415-V452 VanDerWaalsContact OD1-CG1 3.23Å; N415-V452 WeakPolarHBondContact OD1-CG1 3.49Å; F418-V452 HydrophobicContact CD1-CB 4.18Å; F418-V452 HydrophobicContact CD1-CG1 3.92Å; F418-V452 HydrophobicContact CD2-CB 4.44Å; F418-V452 HydrophobicContact CE1-CB 4.13Å; F418-V452 HydrophobicContact CE1-CG1 4.14Å; F418-V452 HydrophobicContact CE2-CB 4.41Å; F418-V452 HydrophobicContact CG-CB 4.31Å; F418-V452 HydrophobicContact CG-CG1 4.32Å; F418-V452 HydrophobicContact CZ-CB 4.23Å; V452-I522 CarbonylContact C-O 3.47Å; V452-I522 WeakPolarHBondContact CA-O 3.47Å; V452-I522 HydrophobicContact CG2-CB 4.48Å; V452-I524 HydrophobicContact CG2-CD1 3.32Å; V452-I524 HydrophobicContact CG2-CG1 4.05Å
453	L	92.8	Very high	89.5	Confident	39 Å²	39	40.4 Å²	40.4	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.2	175	178.6	64.1	0	0	0	108.1	I455 F459 I522 V523 I524	L453-I455 HydrophobicContact CD2-CD1 4.43Å; L453-I455 HydrophobicContact CD2-CG1 4.36Å; L453-I455 HydrophobicContact CG-CG1 4.17Å; L453-F459 HydrophobicContact CD1-CD2 4.33Å; L453-F459 HydrophobicContact CD1-CE2 3.67Å; L453-F459 HydrophobicContact CD1-CZ 4.05Å; L453-F459 HydrophobicContact CD2-CZ 4.41Å; L453-I522 PolarHBondContact N-O 3.41Å; L453-V523 HydrophobicContact CD2-CG2 4.5Å; L453-V523 CarbonylContact O-C 3.57Å; L453-V523 WeakPolarHBondContact O-CA 3.22Å; L453-I524 PolarHBondContact O-N 3.48Å
454	M	93.5	Very high	88.7	Confident	25 Å²	25	42.3 Å²	42.3	12%	0.123	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.8	173.9	-68.5	174.7	-80.4	0	0	109	I406 K411 V414 I524 L529	I406-M454 HydrophobicContact CD1-CB 4.01Å; K411-M454 HydrophobicContact CB-CE 3.82Å; K411-M454 HydrophobicContact CB-SD 4.17Å; K411-M454 HydrophobicContact CG-CE 4.03Å; K411-M454 HydrophobicContact CG-SD 3.98Å; V414-M454 HydrophobicContact CB-SD 4.21Å; V414-M454 HydrophobicContact CG1-SD 3.97Å; M454-I524 WeakPolarHBondContact CA-O 3.16Å; M454-I524 HydrophobicContact CG-CB 4.17Å; M454-I524 HydrophobicContact CG-CD1 4.05Å; M454-L529 HydrophobicContact CG-CD1 4.49Å; M454-L529 HydrophobicContact SD-CD1 4.13Å
455	I	91.1	Very high	87.5	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	179	-52	-177	0	0	0	108.2	L453 F459 L460 L510 V523 I524 L525 S526	L453-I455 HydrophobicContact CD2-CD1 4.43Å; L453-I455 HydrophobicContact CD2-CG1 4.36Å; L453-I455 HydrophobicContact CG-CG1 4.17Å; I455-F459 HydrophobicContact CB-CD1 4.4Å; I455-F459 HydrophobicContact CG1-CD1 4.38Å; I455-F459 HydrophobicContact CG1-CE1 4.36Å; I455-F459 HydrophobicContact CG2-CD1 3.78Å; I455-F459 HydrophobicContact CG2-CE1 4.3Å; I455-L460 HydrophobicContact CG2-CD2 4.03Å; I455-L510 HydrophobicContact CB-CD2 4.11Å; I455-L510 HydrophobicContact CG2-CD1 4.47Å; I455-L510 HydrophobicContact CG2-CD2 3.4Å; I455-L510 VanDerWaalsContact CG2-CD2 3.4Å; I455-V523 HydrophobicContact CD1-CG1 3.43Å; I455-V523 VanDerWaalsContact CD1-CG1 3.43Å; I455-V523 HydrophobicContact CG1-CG1 4Å; I455-I524 PolarHBondContact N-O 3.49Å; I455-L525 HydrophobicContact CB-CD2 3.97Å; I455-L525 HydrophobicContact CD1-CD2 4.03Å; I455-L525 HydrophobicContact CG1-CD2 4.38Å; I455-L525 HydrophobicContact CG2-CD2 4.47Å; I455-S526 PolarHBondContact O-N 3.08Å; I455-S526 VanDerWaalsContact O-N 3.1Å
456	D	93	Very high	86.3	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.265	C	S	.	.			trans	-132.3	177.4	174	67.9	-15.9	0	0	0	111.5	S404 I406 K411 A458 F459 L460	S404-D456 CarbonylContact O-C 3.6Å; S404-D456 VanDerWaalsContact O-CA 3.28Å; S404-D456 WeakPolarHBondContact O-CA 3.39Å; S404-D456 VanDerWaalsContact O-CB 3.27Å; S404-D456 WeakPolarHBondContact O-CB 3.09Å; I406-D456 HydrophobicContact CB-CB 4.33Å; I406-D456 HydrophobicContact CD1-CB 3.62Å; I406-D456 HydrophobicContact CG1-CB 3.71Å; I406-D456 PolarHBondContact N-OD2 3.41Å; K411-D456 WeakPolarHBondContact CE-OD2 3.46Å; K411-D456 IonicContact NZ-OD1 3.75Å; K411-D456 PolarHBondContact NZ-OD1 3.24Å; K411-D456 IonicContact NZ-OD2 2.75Å; K411-D456 PolarHBondContact NZ-OD2 3.45Å; D456-A458 PolarHBondContact O-N 3.42Å; D456-F459 WeakPolarHBondContact O-CB 3.25Å; D456-F459 PolarHBondContact O-N 3.43Å; D456-F459 WeakPolarHBondContact OD1-CB 3.35Å; D456-F459 PolarHBondContact OD1-N 2.88Å; D456-L460 PolarHBondContact O-N 3.04Å
457	S	92.3	Very high	85.8	Confident	14 Å²	14	58.6 Å²	58.6	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-49.6	-42.8	176.3	57	0	0	0	0	112.3	S404 S405 L460 D461	S404-S457 PolarHBondContact O-N 3.22Å; S405-S457 PolarHBondContact OG-OG 2.86Å; S457-L460 PolarHBondContact O-N 2.95Å; S457-D461 PolarHBondContact O-N 2.95Å
458	A	90.8	Very high	85.6	Confident	41 Å²	41	59.1 Å²	59.1	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-36.8	178.5	0	0	0	0	0	113.1	D456 Q462	D456-A458 PolarHBondContact O-N 3.42Å; A458-Q462 WeakPolarHBondContact O-CG 3.43Å; A458-Q462 PolarHBondContact O-N 3.19Å
459	F	88.7	Confident	85.5	Confident	42 Å²	42	57.5 Å²	57.5	18%	0.184	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-42.8	171.5	179.4	-89	0	0	0	111.3	L453 I455 D456 D461 Q462 V463	L453-F459 HydrophobicContact CD1-CD2 4.33Å; L453-F459 HydrophobicContact CD1-CE2 3.67Å; L453-F459 HydrophobicContact CD1-CZ 4.05Å; L453-F459 HydrophobicContact CD2-CZ 4.41Å; I455-F459 HydrophobicContact CB-CD1 4.4Å; I455-F459 HydrophobicContact CG1-CD1 4.38Å; I455-F459 HydrophobicContact CG1-CE1 4.36Å; I455-F459 HydrophobicContact CG2-CD1 3.78Å; I455-F459 HydrophobicContact CG2-CE1 4.3Å; D456-F459 WeakPolarHBondContact O-CB 3.25Å; D456-F459 PolarHBondContact O-N 3.43Å; D456-F459 WeakPolarHBondContact OD1-CB 3.35Å; D456-F459 PolarHBondContact OD1-N 2.88Å; F459-D461 VanDerWaalsContact C-N 3.35Å; F459-D461 PolarHBondContact O-N 3.06Å; F459-Q462 WeakPolarHBondContact O-CB 3.28Å; F459-Q462 PolarHBondContact O-N 3.2Å; F459-Q462 VanDerWaalsContact O-N 3.12Å; F459-V463 HydrophobicContact CD1-CG2 4.19Å; F459-V463 HydrophobicContact CD2-CG2 4.4Å; F459-V463 HydrophobicContact CE1-CB 4.22Å; F459-V463 HydrophobicContact CE1-CG2 3.75Å; F459-V463 HydrophobicContact CE2-CG2 3.95Å; F459-V463 HydrophobicContact CZ-CG2 3.63Å; F459-V463 PolarHBondContact O-N 3.39Å; F459-V463 VanDerWaalsContact O-N 3.1Å
460	L	83.3	Confident	85.5	Confident	7 Å²	7	53 Å²	53	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.9	-67	-172.6	0	0	0	111.6	W394 N398 I455 D456 S457 Q462 V463 I464 L510	W394-L460 HydrophobicContact CH2-CD1 3.93Å; W394-L460 HydrophobicContact CH2-CD2 4Å; W394-L460 HydrophobicContact CZ3-CD1 4.26Å; N398-L460 HydrophobicContact CB-CD1 3.56Å; I455-L460 HydrophobicContact CG2-CD2 4.03Å; D456-L460 PolarHBondContact O-N 3.04Å; S457-L460 PolarHBondContact O-N 2.95Å; L460-Q462 PolarHBondContact O-N 3.44Å; L460-Q462 VanDerWaalsContact O-N 3.12Å; L460-V463 PolarHBondContact O-N 2.59Å; L460-I464 HydrophobicContact CD2-CD1 3.88Å; L460-I464 HydrophobicContact CD2-CG1 4.41Å; L460-I464 CarbonylContact O-C 3.59Å; L460-I464 WeakPolarHBondContact O-CA 3.1Å; L460-I464 PolarHBondContact O-N 2.8Å; L460-L510 HydrophobicContact CD1-CD1 3.4Å; L460-L510 VanDerWaalsContact CD1-CD1 3.4Å; L460-L510 HydrophobicContact CD1-CD2 4.45Å; L460-L510 HydrophobicContact CD1-CG 3.98Å; L460-L510 HydrophobicContact CG-CD1 3.85Å
461	D	83.3	Confident	85.5	Confident	80 Å²	80	55.7 Å²	55.7	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-25.3	177.4	-86.5	-16.1	0	0	0	113.2	K399 S457 F459	K399-D461 IonicContact NZ-OD1 3.35Å; K399-D461 PolarHBondContact NZ-OD1 3.08Å; K399-D461 IonicContact NZ-OD2 3.88Å; K399-D461 PolarHBondContact NZ-OD2 3.22Å; S457-D461 PolarHBondContact O-N 2.95Å; F459-D461 VanDerWaalsContact C-N 3.35Å; F459-D461 PolarHBondContact O-N 3.06Å
462	Q	81.9	Confident	85.3	Confident	150 Å²	150	58.2 Å²	58.2	70%	0.701	28%	0.284	S	S	*	.	H	α-helix	trans	-84.1	-39.5	177.8	-68.1	173.4	23.2	0	0	112.9	A458 F459 L460	A458-Q462 WeakPolarHBondContact O-CG 3.43Å; A458-Q462 PolarHBondContact O-N 3.19Å; F459-Q462 WeakPolarHBondContact O-CB 3.28Å; F459-Q462 PolarHBondContact O-N 3.2Å; F459-Q462 VanDerWaalsContact O-N 3.12Å; L460-Q462 PolarHBondContact O-N 3.44Å; L460-Q462 VanDerWaalsContact O-N 3.12Å
463	V	75.3	Confident	85.1	Confident	77 Å²	77	57.9 Å²	57.9	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-97.9	-38.4	-170.2	-179.7	0	0	0	0	112.3	F459 L460	F459-V463 HydrophobicContact CD1-CG2 4.19Å; F459-V463 HydrophobicContact CD2-CG2 4.4Å; F459-V463 HydrophobicContact CE1-CB 4.22Å; F459-V463 HydrophobicContact CE1-CG2 3.75Å; F459-V463 HydrophobicContact CE2-CG2 3.95Å; F459-V463 HydrophobicContact CZ-CG2 3.63Å; F459-V463 PolarHBondContact O-N 3.39Å; F459-V463 VanDerWaalsContact O-N 3.1Å; L460-V463 PolarHBondContact O-N 2.59Å
464	I	70.6	Confident	85.1	Confident	40 Å²	40	64.5 Å²	64.5	21%	0.205	31%	0.311	C	S	.	.			trans	-112.2	100.5	-177.4	-53	-172.8	0	0	0	108.5	W394 L460 E466	W394-I464 HydrophobicContact CH2-CD1 3.98Å; W394-I464 HydrophobicContact CZ3-CD1 4.06Å; L460-I464 HydrophobicContact CD2-CD1 3.88Å; L460-I464 HydrophobicContact CD2-CG1 4.41Å; L460-I464 CarbonylContact O-C 3.59Å; L460-I464 WeakPolarHBondContact O-CA 3.1Å; L460-I464 PolarHBondContact O-N 2.8Å; I464-E466 VanDerWaalsContact C-N 3.26Å; I464-E466 HydrophobicContact CG2-CB 4.28Å
465	K	64.2	Low	85.2	Confident	188 Å²	188	64.4 Å²	64.4	82%	0.817	31%	0.311	S	S	*	.			trans	-81	-8.2	176.2	-67	-175.9	179.8	178.6	0	113.6
466	E	64.9	Low	85.4	Confident	88 Å²	88	65.7 Å²	65.7	41%	0.411	32%	0.32	S	S	.	.			trans	-84	136.1	-171.1	-67	176.4	-169.4	0	0	111.2	W395 I464 I499	W395-E466 PolarHBondContact NE1-O 3.42Å; W395-E466 VanDerWaalsContact NE1-O 3.12Å; I464-E466 VanDerWaalsContact C-N 3.26Å; I464-E466 HydrophobicContact CG2-CB 4.28Å; E466-I499 WeakPolarHBondContact OE2-CD1 3.48Å; E466-I499 WeakPolarHBondContact OE2-CG1 3.48Å; E466-I499 WeakPolarHBondContact OE2-CG2 3.35Å
467	R	78.4	Confident	85.5	Confident	188 Å²	188	71.7 Å²	71.7	71%	0.709	35%	0.348	S	S	*	.			trans	-88.8	168.9	172	-61.2	-175.9	-179.9	-167.9	-1.4	109.2	W395 I469	W395-R467 HydrophobicContact CE3-CB 4.42Å; W395-R467 HydrophobicContact CE3-CG 4.46Å; W395-R467 HydrophobicContact CH2-CG 3.93Å; W395-R467 HydrophobicContact CZ2-CG 4.23Å; W395-R467 HydrophobicContact CZ3-CB 4.45Å; W395-R467 HydrophobicContact CZ3-CG 4.08Å; R467-I469 PolarHBondContact O-N 2.89Å
468	D	88.7	Confident	85.6	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.064	37%	0.374	C	S	.	.			trans	-54.8	109.4	170.4	-63.3	-48.7	0	0	0	110.4	N392 F393 W394 W395 T396 I470 L471	N392-D468 VanDerWaalsContact O-CB 3.29Å; N392-D468 WeakPolarHBondContact O-CB 3.41Å; F393-D468 VanDerWaalsContact C-OD1 3.24Å; F393-D468 VanDerWaalsContact CA-CG 3.5Å; F393-D468 WeakPolarHBondContact CA-OD1 3.47Å; W394-D468 PolarHBondContact N-OD1 2.8Å; W395-D468 WeakPolarHBondContact CA-OD1 3.5Å; W395-D468 VanDerWaalsContact CB-OD1 3.27Å; W395-D468 WeakPolarHBondContact CB-OD1 3.33Å; W395-D468 PolarHBondContact N-OD1 2.88Å; T396-D468 WeakPolarHBondContact CB-OD2 3.38Å; T396-D468 PolarHBondContact N-OD2 3.47Å; T396-D468 PolarHBondContact OG1-OD2 2.65Å; D468-I470 HydrophobicContact CB-CG2 4.12Å; D468-I470 PolarHBondContact O-N 3.43Å; D468-L471 HydrophobicContact CB-CD1 3.93Å; D468-L471 HydrophobicContact CB-CG 3.98Å; D468-L471 VanDerWaalsContact O-CB 3.25Å; D468-L471 WeakPolarHBondContact O-CB 3.36Å; D468-L471 PolarHBondContact O-N 3.4Å
469	I	88.5	Confident	85.9	Confident	27 Å²	27	74.9 Å²	74.9	14%	0.138	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.3	-175.3	-66.1	171.4	0	0	0	111.6	R467 L471 E472 A490 K493 T494 I499	R467-I469 PolarHBondContact O-N 2.89Å; I469-L471 PolarHBondContact O-N 3.4Å; I469-L471 VanDerWaalsContact O-N 3.16Å; I469-E472 WeakPolarHBondContact O-CB 3.42Å; I469-E472 WeakPolarHBondContact O-CG 3.45Å; I469-E472 PolarHBondContact O-N 2.9Å; I469-E472 VanDerWaalsContact O-N 3.1Å; I469-A490 HydrophobicContact CB-CB 4.15Å; I469-A490 HydrophobicContact CG2-CB 4.02Å; I469-K493 HydrophobicContact CG2-CB 4.23Å; I469-K493 HydrophobicContact CG2-CD 3.77Å; I469-T494 WeakPolarHBondContact CD1-OG1 3.45Å; I469-I499 HydrophobicContact CD1-CD1 3.75Å
470	I	92.4	Very high	86.3	Confident	1 Å²	1	73 Å²	73	1%	0.005	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-56.9	-30.8	175.9	-164.3	167.8	0	0	0	112.4	F132 N392 F393 D468 E472 N473 L475 A490	F132-I470 HydrophobicContact CD2-CD1 3.99Å; F132-I470 HydrophobicContact CE2-CD1 3.75Å; N392-I470 HydrophobicContact CB-CB 4.44Å; N392-I470 HydrophobicContact CB-CD1 3.84Å; N392-I470 HydrophobicContact CB-CG2 4.15Å; F393-I470 HydrophobicContact CD1-CG2 4.27Å; F393-I470 HydrophobicContact CE1-CG2 3.77Å; F393-I470 HydrophobicContact CE2-CG2 4.45Å; F393-I470 HydrophobicContact CZ-CD1 4.49Å; F393-I470 HydrophobicContact CZ-CG2 3.88Å; D468-I470 HydrophobicContact CB-CG2 4.12Å; D468-I470 PolarHBondContact O-N 3.43Å; I470-E472 PolarHBondContact O-N 3.37Å; I470-N473 PolarHBondContact O-N 2.73Å; I470-N473 VanDerWaalsContact O-N 3.11Å; I470-N473 PolarHBondContact O-ND2 3.18Å; I470-L475 HydrophobicContact CD1-CD1 4.29Å; I470-L475 HydrophobicContact CD1-CD2 4.32Å; I470-L475 HydrophobicContact CG1-CD1 4.31Å; I470-L475 HydrophobicContact CG1-CD2 3.95Å; I470-A490 HydrophobicContact CB-CB 4.08Å
471	L	92.7	Very high	87	Confident	59 Å²	59	72.7 Å²	72.7	31%	0.309	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-69.5	-8.6	-179.7	-63.6	176	0	0	0	113.9	V128 F393 D468 I469 N473	V128-L471 HydrophobicContact CB-CD2 3.97Å; V128-L471 HydrophobicContact CG1-CD2 3.62Å; V128-L471 HydrophobicContact CG2-CD2 4.41Å; F393-L471 HydrophobicContact CE1-CD2 3.87Å; F393-L471 HydrophobicContact CE1-CG 4.49Å; D468-L471 HydrophobicContact CB-CD1 3.93Å; D468-L471 HydrophobicContact CB-CG 3.98Å; D468-L471 VanDerWaalsContact O-CB 3.25Å; D468-L471 WeakPolarHBondContact O-CB 3.36Å; D468-L471 PolarHBondContact O-N 3.4Å; I469-L471 PolarHBondContact O-N 3.4Å; I469-L471 VanDerWaalsContact O-N 3.16Å; L471-N473 PolarHBondContact O-N 3.15Å
472	E	90	Very high	87.6	Confident	107 Å²	107	69.9 Å²	69.9	50%	0.5	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-70.3	-11.9	169.5	-64	171.4	178.9	0	0	112.6	I469 I470 K493	I469-E472 WeakPolarHBondContact O-CB 3.42Å; I469-E472 WeakPolarHBondContact O-CG 3.45Å; I469-E472 PolarHBondContact O-N 2.9Å; I469-E472 VanDerWaalsContact O-N 3.1Å; I470-E472 PolarHBondContact O-N 3.37Å; E472-K493 IonicContact OE2-NZ 3.11Å; E472-K493 PolarHBondContact OE2-NZ 3.1Å
473	N	91.7	Very high	88.4	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.112	30%	0.3	C	S	.	.	S	Bend	trans	-114.8	144.9	-179.1	-48.6	-93.8	0	0	0	109.7	I470 L471 L475 Y486 K489	I470-N473 PolarHBondContact O-N 2.73Å; I470-N473 VanDerWaalsContact O-N 3.11Å; I470-N473 PolarHBondContact O-ND2 3.18Å; L471-N473 PolarHBondContact O-N 3.15Å; N473-L475 PolarHBondContact O-N 2.71Å; N473-Y486 HydrophobicContact CB-CD1 3.69Å; N473-Y486 HydrophobicContact CB-CD2 3.81Å; N473-Y486 HydrophobicContact CB-CE1 3.9Å; N473-Y486 HydrophobicContact CB-CE2 3.99Å; N473-Y486 HydrophobicContact CB-CG 3.65Å; N473-Y486 WeakPolarHBondContact OD1-CD1 3.45Å; N473-K489 PolarHBondContact OD1-NZ 3.44Å
474	E	92	Very high	89.4	Confident	179 Å²	179	59 Å²	59	84%	0.836	28%	0.277	S	S	*	.			trans	-75.4	112.4	171.4	-172.2	178.2	179.3	0	0	109.5	Y486	E474-Y486 WeakPolarHBondContact O-CE2 3.3Å
475	L	94.9	Very high	90.7	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.12	27%	0.269	C	S	.	.			trans	-78.8	140.5	-178.9	-55.7	-169.2	0	0	0	110.9	V128 F132 F393 I470 N473 N483 Y486	V128-L475 HydrophobicContact CG1-CD1 3.43Å; V128-L475 VanDerWaalsContact CG1-CD1 3.43Å; V128-L475 HydrophobicContact CG1-CG 4.08Å; F132-L475 HydrophobicContact CB-CD1 4.36Å; F132-L475 HydrophobicContact CD2-CD1 4.11Å; F393-L475 HydrophobicContact CZ-CD1 3.82Å; I470-L475 HydrophobicContact CD1-CD1 4.29Å; I470-L475 HydrophobicContact CD1-CD2 4.32Å; I470-L475 HydrophobicContact CG1-CD1 4.31Å; I470-L475 HydrophobicContact CG1-CD2 3.95Å; N473-L475 PolarHBondContact O-N 2.71Å; L475-N483 WeakPolarHBondContact CA-OD1 3.44Å; L475-Y486 HydrophobicContact CD2-CD2 3.83Å; L475-Y486 HydrophobicContact CD2-CG 4.41Å
476	S	95.8	Very high	92.2	Very high	31 Å²	31	50.3 Å²	50.3	22%	0.217	24%	0.237	C	C	.	.			trans	-80	126.6	177.4	-172.2	0	0	0	0	110.7	T135 N478 N479 N483	T135-S476 WeakPolarHBondContact CG2-O 3.32Å; S476-N478 PolarHBondContact O-N 3.41Å; S476-N478 PolarHBondContact OG-N 3.43Å; S476-N479 PolarHBondContact OG-N 3.35Å; S476-N479 VanDerWaalsContact OG-N 3.16Å; S476-N483 PolarHBondContact N-OD1 2.97Å; S476-N483 PolarHBondContact O-ND2 2.87Å
477	E	94.6	Very high	93.7	Very high	131 Å²	131	46.1 Å²	46.1	61%	0.612	22%	0.217	S	C	*	.	S	Bend	trans	-71.6	-15.4	171.8	-58.5	-170.8	160.7	0	0	113.2	T131 T135	T131-E477 HydrophobicContact CG2-CB 4.23Å; T131-E477 HydrophobicContact CG2-CG 3.82Å; T135-E477 VanDerWaalsContact CG2-C 3.45Å; T135-E477 WeakPolarHBondContact CG2-O 3.4Å
478	N	94.4	Very high	94.4	Very high	118 Å²	118	37.9 Å²	37.9	63%	0.631	19%	0.187	S	C	*	.	S	Bend	trans	-125.7	0.6	-169.2	-67.4	-51.9	0	0	0	114.3	K150 S476	K150-N478 WeakPolarHBondContact CE-O 3.24Å; K150-N478 PolarHBondContact NZ-O 3.42Å; S476-N478 PolarHBondContact O-N 3.41Å; S476-N478 PolarHBondContact OG-N 3.43Å
479	N	97.2	Very high	94.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.19	C	C	.	.			trans	-144.3	97.8	-178.6	-169.3	-23.2	0	0	0	111.4	K150 E153 S476 F481 I482 N483	K150-N479 HydrophobicContact CD-CB 4.13Å; K150-N479 PolarHBondContact O-ND2 3.18Å; E153-N479 WeakPolarHBondContact CB-ND2 3.47Å; E153-N479 PolarHBondContact OE2-ND2 3.16Å; S476-N479 PolarHBondContact OG-N 3.35Å; S476-N479 VanDerWaalsContact OG-N 3.16Å; N479-F481 VanDerWaalsContact C-N 3.26Å; N479-F481 PolarHBondContact O-N 3.07Å; N479-F481 WeakPolarHBondContact OD1-CB 3.49Å; N479-F481 PolarHBondContact OD1-N 3.37Å; N479-I482 HydrophobicContact CB-CB 4.47Å; N479-I482 HydrophobicContact CB-CD1 3.88Å; N479-I482 HydrophobicContact CB-CG1 4.15Å; N479-I482 PolarHBondContact O-N 3.41Å; N479-I482 PolarHBondContact OD1-N 3.46Å; N479-N483 PolarHBondContact O-N 3.27Å
480	Y	97.2	Very high	94.7	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-32.1	176.6	165.6	-111.9	0	0	0	113.4	C136 A139 Y365 E388 I482 N483 A484	C136-Y480 HydrophobicContact CB-CD2 3.44Å; C136-Y480 VanDerWaalsContact CB-CD2 3.44Å; C136-Y480 HydrophobicContact CB-CE2 3.52Å; C136-Y480 HydrophobicContact CB-CG 4.13Å; C136-Y480 WeakPolarHBondContact SG-CE2 3.4Å; A139-Y480 HydrophobicContact CB-CD1 3.94Å; A139-Y480 HydrophobicContact CB-CG 4.09Å; Y365-Y480 HydrophobicContact CD1-CE1 4.49Å; Y365-Y480 WeakPolarHBondContact CD1-OH 3.23Å; E388-Y480 PolarHBondContact OE1-OH 2.86Å; Y480-I482 VanDerWaalsContact C-N 3.3Å; Y480-I482 PolarHBondContact O-N 3.32Å; Y480-N483 CarbonylContact O-C 3.6Å; Y480-N483 WeakPolarHBondContact O-CA 3.4Å; Y480-N483 WeakPolarHBondContact O-CB 3.42Å; Y480-N483 PolarHBondContact O-N 3.4Å; Y480-A484 HydrophobicContact CE1-CB 4.31Å; Y480-A484 HydrophobicContact CE2-CB 4.14Å; Y480-A484 WeakPolarHBondContact O-CB 3.31Å; Y480-A484 PolarHBondContact O-N 3.32Å
481	F	97.3	Very high	94.5	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-31	-178.1	-63.4	-82.8	0	0	0	112.5	I147 K150 I151 L154 M362 L366 Y369 N479 A484 Y485	I147-F481 HydrophobicContact CD1-CE2 3.83Å; I147-F481 HydrophobicContact CD1-CZ 4.05Å; I147-F481 HydrophobicContact CG2-CE2 3.9Å; I147-F481 HydrophobicContact CG2-CZ 3.64Å; K150-F481 HydrophobicContact CB-CD2 3.75Å; K150-F481 HydrophobicContact CB-CE2 4.07Å; I151-F481 HydrophobicContact CD1-CZ 4.5Å; I151-F481 HydrophobicContact CG1-CD1 4.25Å; I151-F481 HydrophobicContact CG1-CD2 4.27Å; I151-F481 HydrophobicContact CG1-CE1 4.24Å; I151-F481 HydrophobicContact CG1-CE2 4.25Å; I151-F481 HydrophobicContact CG1-CG 4.27Å; I151-F481 HydrophobicContact CG1-CZ 4.24Å; L154-F481 HydrophobicContact CB-CB 4.41Å; L154-F481 HydrophobicContact CD2-CB 3.9Å; M362-F481 HydrophobicContact CE-CB 4.15Å; M362-F481 HydrophobicContact CE-CD1 3.93Å; L366-F481 HydrophobicContact CD2-CD1 4.36Å; L366-F481 HydrophobicContact CD2-CE1 3.94Å; Y369-F481 HydrophobicContact CD2-CE1 4.2Å; Y369-F481 AromaticContact CD2-CZ 3.82Å; Y369-F481 HydrophobicContact CD2-CZ 3.82Å; Y369-F481 AromaticContact CE2-CE1 3.9Å; Y369-F481 HydrophobicContact CE2-CE1 3.9Å; Y369-F481 AromaticContact CE2-CZ 3.54Å; Y369-F481 HydrophobicContact CE2-CZ 3.54Å; N479-F481 VanDerWaalsContact C-N 3.26Å; N479-F481 PolarHBondContact O-N 3.07Å; N479-F481 WeakPolarHBondContact OD1-CB 3.49Å; N479-F481 PolarHBondContact OD1-N 3.37Å; F481-A484 PolarHBondContact O-N 2.92Å; F481-Y485 WeakPolarHBondContact O-CB 3.45Å; F481-Y485 PolarHBondContact O-N 3.32Å
482	I	97.8	Very high	94.3	Very high	20 Å²	20	38.4 Å²	38.4	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-44.9	169.1	-64.7	174.3	0	0	0	110	L154 L157 N479 Y480 Y485 Y486	L154-I482 HydrophobicContact CB-CG1 4.33Å; L154-I482 HydrophobicContact CD1-CB 4.47Å; L154-I482 HydrophobicContact CD1-CG1 3.89Å; L157-I482 HydrophobicContact CD2-CD1 3.78Å; L157-I482 HydrophobicContact CD2-CG1 4.01Å; L157-I482 HydrophobicContact CD2-CG2 4.03Å; N479-I482 HydrophobicContact CB-CB 4.47Å; N479-I482 HydrophobicContact CB-CD1 3.88Å; N479-I482 HydrophobicContact CB-CG1 4.15Å; N479-I482 PolarHBondContact O-N 3.41Å; N479-I482 PolarHBondContact OD1-N 3.46Å; Y480-I482 VanDerWaalsContact C-N 3.3Å; Y480-I482 PolarHBondContact O-N 3.32Å; I482-Y485 WeakPolarHBondContact O-CB 3.49Å; I482-Y485 PolarHBondContact O-N 2.96Å; I482-Y486 HydrophobicContact CG2-CD2 3.9Å; I482-Y486 HydrophobicContact CG2-CE2 3.42Å; I482-Y486 VanDerWaalsContact CG2-CE2 3.42Å; I482-Y486 WeakPolarHBondContact O-CD2 3.48Å; I482-Y486 PolarHBondContact O-N 3.35Å
483	N	97.5	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-38.5	177.8	-62.8	-14.4	0	0	0	112.3	F132 T135 L475 S476 N479 Y480 Y485 Y486 S487	F132-N483 HydrophobicContact CD2-CB 3.72Å; F132-N483 HydrophobicContact CE2-CB 3.69Å; T135-N483 PolarHBondContact OG1-ND2 3.3Å; L475-N483 WeakPolarHBondContact CA-OD1 3.44Å; S476-N483 PolarHBondContact N-OD1 2.97Å; S476-N483 PolarHBondContact O-ND2 2.87Å; N479-N483 PolarHBondContact O-N 3.27Å; Y480-N483 CarbonylContact O-C 3.6Å; Y480-N483 WeakPolarHBondContact O-CA 3.4Å; Y480-N483 WeakPolarHBondContact O-CB 3.42Å; Y480-N483 PolarHBondContact O-N 3.4Å; N483-Y485 VanDerWaalsContact C-N 3.32Å; N483-Y486 PolarHBondContact O-N 2.86Å; N483-S487 WeakPolarHBondContact O-CB 3.46Å; N483-S487 PolarHBondContact O-N 3.06Å
484	A	96.5	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-34.3	175.8	0	0	0	0	0	111.6	M362 Y365 Y480 F481 S487 Q488	M362-A484 HydrophobicContact CE-CB 3.74Å; Y365-A484 HydrophobicContact CD1-CB 3.91Å; Y365-A484 HydrophobicContact CE1-CB 3.88Å; Y365-A484 HydrophobicContact CG-CB 4.49Å; Y480-A484 HydrophobicContact CE1-CB 4.31Å; Y480-A484 HydrophobicContact CE2-CB 4.14Å; Y480-A484 WeakPolarHBondContact O-CB 3.31Å; Y480-A484 PolarHBondContact O-N 3.32Å; F481-A484 PolarHBondContact O-N 2.92Å; A484-S487 WeakPolarHBondContact O-CB 3.37Å; A484-Q488 WeakPolarHBondContact O-CG 3.43Å; A484-Q488 PolarHBondContact O-N 3.44Å; A484-Q488 PolarHBondContact O-NE2 2.95Å; A484-Q488 VanDerWaalsContact O-NE2 3.09Å
485	Y	97.5	Very high	92.6	Very high	8 Å²	8	30.4 Å²	30.4	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-47.9	168.8	168.2	-104.5	0	0	0	111.6	L158 P192 F195 Q196 F358 F481 I482 N483 S487 Q488 K489	L158-Y485 HydrophobicContact CD1-CD1 4.17Å; L158-Y485 HydrophobicContact CD1-CD2 3.96Å; L158-Y485 HydrophobicContact CD1-CE1 4.27Å; L158-Y485 HydrophobicContact CD1-CE2 4.08Å; L158-Y485 HydrophobicContact CD1-CG 4Å; L158-Y485 HydrophobicContact CD2-CD1 4.01Å; L158-Y485 HydrophobicContact CD2-CE1 3.59Å; P192-Y485 WeakPolarHBondContact CA-OH 3.47Å; P192-Y485 HydrophobicContact CB-CE2 4.5Å; P192-Y485 WeakPolarHBondContact O-CE2 3.41Å; F195-Y485 VanDerWaalsContact CB-OH 3.31Å; F195-Y485 WeakPolarHBondContact CB-OH 3.48Å; Q196-Y485 HydrophobicContact CB-CE2 4.26Å; F358-Y485 AromaticContact CE2-CD2 3.73Å; F358-Y485 HydrophobicContact CE2-CD2 3.73Å; F358-Y485 AromaticContact CE2-CE2 3.91Å; F358-Y485 HydrophobicContact CE2-CE2 3.91Å; F358-Y485 AromaticContact CZ-CD2 3.9Å; F358-Y485 HydrophobicContact CZ-CD2 3.9Å; F358-Y485 HydrophobicContact CZ-CE2 4.45Å; F481-Y485 WeakPolarHBondContact O-CB 3.45Å; F481-Y485 PolarHBondContact O-N 3.32Å; I482-Y485 WeakPolarHBondContact O-CB 3.49Å; I482-Y485 PolarHBondContact O-N 2.96Å; N483-Y485 VanDerWaalsContact C-N 3.32Å; Y485-S487 VanDerWaalsContact C-N 3.3Å; Y485-S487 PolarHBondContact O-N 2.02Å; Y485-Q488 WeakPolarHBondContact O-CB 2.97Å; Y485-Q488 PolarHBondContact O-N 3.03Å; Y485-Q488 VanDerWaalsContact O-N 3.14Å; Y485-K489 PolarHBondContact O-N 2.65Å
486	Y	96.4	Very high	91.5	Very high	37 Å²	37	30 Å²	30	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-31.9	177.1	-65.8	-43	0	0	0	113.5	N473 E474 L475 I482 N483 K489 A490	N473-Y486 HydrophobicContact CB-CD1 3.69Å; N473-Y486 HydrophobicContact CB-CD2 3.81Å; N473-Y486 HydrophobicContact CB-CE1 3.9Å; N473-Y486 HydrophobicContact CB-CE2 3.99Å; N473-Y486 HydrophobicContact CB-CG 3.65Å; N473-Y486 WeakPolarHBondContact OD1-CD1 3.45Å; E474-Y486 WeakPolarHBondContact O-CE2 3.3Å; L475-Y486 HydrophobicContact CD2-CD2 3.83Å; L475-Y486 HydrophobicContact CD2-CG 4.41Å; I482-Y486 HydrophobicContact CG2-CD2 3.9Å; I482-Y486 HydrophobicContact CG2-CE2 3.42Å; I482-Y486 VanDerWaalsContact CG2-CE2 3.42Å; I482-Y486 WeakPolarHBondContact O-CD2 3.48Å; I482-Y486 PolarHBondContact O-N 3.35Å; N483-Y486 PolarHBondContact O-N 2.86Å; Y486-K489 HydrophobicContact CD1-CD 4.22Å; Y486-K489 PolarHBondContact O-N 3.29Å; Y486-A490 WeakPolarHBondContact O-CB 3.29Å; Y486-A490 PolarHBondContact O-N 3.47Å
487	S	95.6	Very high	90	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-46.8	169.1	170.8	0	0	0	0	110.8	E388 N392 N483 A484 Y485 R491	E388-S487 PolarHBondContact OE2-OG 2.74Å; N392-S487 WeakPolarHBondContact ND2-CB 3.44Å; N392-S487 PolarHBondContact ND2-OG 3.29Å; N392-S487 WeakPolarHBondContact OD1-CA 3.36Å; N483-S487 WeakPolarHBondContact O-CB 3.46Å; N483-S487 PolarHBondContact O-N 3.06Å; A484-S487 WeakPolarHBondContact O-CB 3.37Å; Y485-S487 VanDerWaalsContact C-N 3.3Å; Y485-S487 PolarHBondContact O-N 2.02Å; S487-R491 VanDerWaalsContact C-NH1 3.35Å; S487-R491 WeakPolarHBondContact O-CG 3.18Å; S487-R491 PolarHBondContact O-N 3.48Å; S487-R491 PolarHBondContact O-NH1 3.3Å; S487-R491 PolarHBondContact OG-NH1 3.36Å; S487-R491 PolarHBondContact OG-NH2 2.65Å
488	Q	94	Very high	88.2	Confident	14 Å²	14	26.2 Å²	26.2	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-42.4	172.6	-74.3	170.1	105.7	0	0	112.3	Q196 Y365 A484 Y485 A490 R491 T492	Q196-Q488 HydrophobicContact CG-CB 4.1Å; Q196-Q488 HydrophobicContact CG-CG 4.45Å; Q196-Q488 CarbonylContact O-C 3.49Å; Q196-Q488 WeakPolarHBondContact O-CB 3.44Å; Y365-Q488 HydrophobicContact CE2-CG 3.86Å; A484-Q488 WeakPolarHBondContact O-CG 3.43Å; A484-Q488 PolarHBondContact O-N 3.44Å; A484-Q488 PolarHBondContact O-NE2 2.95Å; A484-Q488 VanDerWaalsContact O-NE2 3.09Å; Y485-Q488 WeakPolarHBondContact O-CB 2.97Å; Y485-Q488 PolarHBondContact O-N 3.03Å; Y485-Q488 VanDerWaalsContact O-N 3.14Å; Q488-A490 PolarHBondContact O-N 3.37Å; Q488-R491 PolarHBondContact O-N 3.07Å; Q488-T492 WeakPolarHBondContact O-CB 3.29Å; Q488-T492 PolarHBondContact O-N 2.92Å; Q488-T492 PolarHBondContact O-OG1 3.44Å; Q488-T492 VanDerWaalsContact O-OG1 3.1Å
489	K	93	Very high	86.2	Confident	31 Å²	31	22.9 Å²	22.9	14%	0.135	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-46.1	176.1	-178.2	178.9	176.3	-165.4	0	113	F195 N473 Y485 Y486 T492 K493	F195-K489 HydrophobicContact CB-CB 4.43Å; F195-K489 HydrophobicContact CB-CD 4.18Å; F195-K489 HydrophobicContact CB-CG 3.97Å; F195-K489 HydrophobicContact CD1-CD 4.49Å; F195-K489 HydrophobicContact CD1-CG 4.34Å; F195-K489 HydrophobicContact CG-CD 4.26Å; F195-K489 HydrophobicContact CG-CG 4.32Å; F195-K489 VanDerWaalsContact O-CA 3.23Å; F195-K489 WeakPolarHBondContact O-CA 3.39Å; N473-K489 PolarHBondContact OD1-NZ 3.44Å; Y485-K489 PolarHBondContact O-N 2.65Å; Y486-K489 HydrophobicContact CD1-CD 4.22Å; Y486-K489 PolarHBondContact O-N 3.29Å; K489-T492 PolarHBondContact O-N 3.49Å; K489-K493 PolarHBondContact O-N 3.43Å
490	A	91	Very high	83.8	Confident	6 Å²	6	26.5 Å²	26.5	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-45.2	177	0	0	0	0	0	111.5	I469 I470 Y486 Q488 T492 K493 T494	I469-A490 HydrophobicContact CB-CB 4.15Å; I469-A490 HydrophobicContact CG2-CB 4.02Å; I470-A490 HydrophobicContact CB-CB 4.08Å; Y486-A490 WeakPolarHBondContact O-CB 3.29Å; Y486-A490 PolarHBondContact O-N 3.47Å; Q488-A490 PolarHBondContact O-N 3.37Å; A490-T492 PolarHBondContact O-N 3.21Å; A490-K493 PolarHBondContact O-N 2.99Å; A490-T494 PolarHBondContact O-N 3.16Å; A490-T494 PolarHBondContact O-OG1 3.47Å
491	R	88.1	Confident	81.4	Confident	56 Å²	56	30.4 Å²	30.4	21%	0.211	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-43.6	176.2	-70.4	-177.2	-168.4	96.7	-1.5	112.9	Y365 E388 E391 S487 Q488 K493 T494 S495	Y365-R491 PolarHBondContact OH-NH1 3.32Å; E388-R491 IonicContact OE2-NH2 2.64Å; E391-R491 WeakPolarHBondContact OE1-CD 3.31Å; E391-R491 IonicContact OE1-CZ 3.84Å; E391-R491 IonicContact OE1-NE 3.05Å; E391-R491 PolarHBondContact OE1-NE 3.49Å; E391-R491 IonicContact OE2-CZ 2.73Å; E391-R491 VanDerWaalsContact OE2-CZ 3.24Å; E391-R491 IonicContact OE2-NE 2.94Å; E391-R491 PolarHBondContact OE2-NE 3.06Å; E391-R491 IonicContact OE2-NH2 2.61Å; E391-R491 PolarHBondContact OE2-NH2 3Å; S487-R491 VanDerWaalsContact C-NH1 3.35Å; S487-R491 WeakPolarHBondContact O-CG 3.18Å; S487-R491 PolarHBondContact O-N 3.48Å; S487-R491 PolarHBondContact O-NH1 3.3Å; S487-R491 PolarHBondContact OG-NH1 3.36Å; S487-R491 PolarHBondContact OG-NH2 2.65Å; Q488-R491 PolarHBondContact O-N 3.07Å; R491-K493 VanDerWaalsContact C-N 3.35Å; R491-T494 PolarHBondContact O-N 3.41Å; R491-S495 WeakPolarHBondContact O-CB 3.5Å; R491-S495 PolarHBondContact O-N 3.45Å
492	T	87.5	Confident	79	Confident	18 Å²	18	35 Å²	35	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-44.2	179.1	-66.6	0	0	0	0	110.9	F195 Q196 I197 Q488 K489 A490 S495 L496	F195-T492 WeakPolarHBondContact O-CB 3.08Å; F195-T492 PolarHBondContact O-OG1 3.38Å; Q196-T492 VanDerWaalsContact C-OG1 3.31Å; Q196-T492 PolarHBondContact O-OG1 3.08Å; I197-T492 VanDerWaalsContact CA-OG1 3.32Å; I197-T492 WeakPolarHBondContact CA-OG1 3.44Å; I197-T492 PolarHBondContact N-OG1 3.04Å; Q488-T492 WeakPolarHBondContact O-CB 3.29Å; Q488-T492 PolarHBondContact O-N 2.92Å; Q488-T492 PolarHBondContact O-OG1 3.44Å; Q488-T492 VanDerWaalsContact O-OG1 3.1Å; K489-T492 PolarHBondContact O-N 3.49Å; A490-T492 PolarHBondContact O-N 3.21Å; T492-S495 PolarHBondContact O-N 3.5Å; T492-L496 HydrophobicContact CG2-CD1 3.81Å; T492-L496 HydrophobicContact CG2-CG 4.31Å; T492-L496 WeakPolarHBondContact O-CB 3.36Å; T492-L496 VanDerWaalsContact O-CG 3.29Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 2.99Å
493	K	84.1	Confident	77	Confident	5 Å²	5	35.8 Å²	35.8	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-50	172.1	-76.3	-173.6	171.7	-166.2	0	112.1	E313 I469 E472 K489 A490 R491 S495 L496 F497	E313-K493 IonicContact OE1-NZ 3.18Å; E313-K493 PolarHBondContact OE1-NZ 3.21Å; E313-K493 IonicContact OE2-NZ 3.77Å; E313-K493 PolarHBondContact OE2-NZ 3.49Å; I469-K493 HydrophobicContact CG2-CB 4.23Å; I469-K493 HydrophobicContact CG2-CD 3.77Å; E472-K493 IonicContact OE2-NZ 3.11Å; E472-K493 PolarHBondContact OE2-NZ 3.1Å; K489-K493 PolarHBondContact O-N 3.43Å; A490-K493 PolarHBondContact O-N 2.99Å; R491-K493 VanDerWaalsContact C-N 3.35Å; K493-S495 VanDerWaalsContact C-N 3.28Å; K493-S495 PolarHBondContact O-N 3.26Å; K493-L496 PolarHBondContact O-N 3.35Å; K493-F497 HydrophobicContact CB-CD2 4.16Å; K493-F497 HydrophobicContact CB-CE2 3.98Å; K493-F497 HydrophobicContact CD-CE2 4.49Å; K493-F497 HydrophobicContact CG-CE2 4.13Å; K493-F497 WeakPolarHBondContact O-CD2 3.47Å; K493-F497 PolarHBondContact O-N 3.02Å
494	T	79.3	Confident	75.1	Confident	40 Å²	40	39 Å²	39	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-45.2	178	-55.1	0	0	0	0	112.2	I469 A490 R491 G498 I499	I469-T494 WeakPolarHBondContact CD1-OG1 3.45Å; A490-T494 PolarHBondContact O-N 3.16Å; A490-T494 PolarHBondContact O-OG1 3.47Å; R491-T494 PolarHBondContact O-N 3.41Å; T494-G498 PolarHBondContact O-N 3.06Å; T494-I499 HydrophobicContact CG2-CB 4.41Å; T494-I499 PolarHBondContact O-N 2.94Å
495	S	76.1	Confident	73.4	Confident	94 Å²	94	40.1 Å²	40.1	66%	0.657	23%	0.226	S	C	*	.	H	α-helix	trans	-64.4	-48.2	178.1	-176.1	0	0	0	0	111.8	R491 T492 K493 G498	R491-S495 WeakPolarHBondContact O-CB 3.5Å; R491-S495 PolarHBondContact O-N 3.45Å; T492-S495 PolarHBondContact O-N 3.5Å; K493-S495 VanDerWaalsContact C-N 3.28Å; K493-S495 PolarHBondContact O-N 3.26Å; S495-G498 PolarHBondContact O-N 3.29Å
496	L	71.5	Confident	71.9	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-48.1	-178.4	-75.2	173.4	0	0	0	111.9	L207 V311 T492 K493 G498	L207-L496 WeakPolarHBondContact CB-O 3.32Å; L207-L496 WeakPolarHBondContact CD2-O 3.38Å; V311-L496 HydrophobicContact CG1-CD1 3.84Å; T492-L496 HydrophobicContact CG2-CD1 3.81Å; T492-L496 HydrophobicContact CG2-CG 4.31Å; T492-L496 WeakPolarHBondContact O-CB 3.36Å; T492-L496 VanDerWaalsContact O-CG 3.29Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 2.99Å; K493-L496 PolarHBondContact O-N 3.35Å; L496-G498 PolarHBondContact O-N 3.05Å
497	F	64.3	Low	70.6	Confident	55 Å²	55	44.7 Å²	44.7	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-70.2	-9.3	-179.4	-65.3	-60.3	0	0	0	113.1	K209 F312 K493 I499	K209-F497 WeakPolarHBondContact CE-O 3.36Å; K209-F497 PolarHBondContact NZ-O 3.36Å; F312-F497 HydrophobicContact CB-CE1 4.26Å; F312-F497 HydrophobicContact CD1-CE1 4.26Å; F312-F497 VanDerWaalsContact O-CE1 3.23Å; F312-F497 WeakPolarHBondContact O-CE1 3.48Å; F312-F497 VanDerWaalsContact O-CZ 3.31Å; F312-F497 WeakPolarHBondContact O-CZ 3.44Å; K493-F497 HydrophobicContact CB-CD2 4.16Å; K493-F497 HydrophobicContact CB-CE2 3.98Å; K493-F497 HydrophobicContact CD-CE2 4.49Å; K493-F497 HydrophobicContact CG-CE2 4.13Å; K493-F497 WeakPolarHBondContact O-CD2 3.47Å; K493-F497 PolarHBondContact O-N 3.02Å; F497-I499 HydrophobicContact CB-CD1 4.32Å; F497-I499 HydrophobicContact CB-CG1 3.98Å; F497-I499 PolarHBondContact O-N 3.46Å; F497-I499 VanDerWaalsContact O-N 3.17Å
498	G	56.3	Low	69.9	Low	28 Å²	28	46.5 Å²	46.5	29%	0.289	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	46.3	-170.9	0	0	0	0	0	108.8	K209 T494 S495 L496 S500	K209-G498 PolarHBondContact NZ-O 3.32Å; T494-G498 PolarHBondContact O-N 3.06Å; S495-G498 PolarHBondContact O-N 3.29Å; L496-G498 PolarHBondContact O-N 3.05Å; G498-S500 WeakPolarHBondContact O-CA 3.39Å; G498-S500 PolarHBondContact O-N 2.97Å
499	I	51.4	Low	69.6	Low	47 Å²	47	46 Å²	46	24%	0.241	26%	0.256	C	S	.	.			trans	-54.2	96.9	167.2	-71.5	160.8	0	0	0	102.3	E466 I469 T494 F497 R501	E466-I499 WeakPolarHBondContact OE2-CD1 3.48Å; E466-I499 WeakPolarHBondContact OE2-CG1 3.48Å; E466-I499 WeakPolarHBondContact OE2-CG2 3.35Å; I469-I499 HydrophobicContact CD1-CD1 3.75Å; T494-I499 HydrophobicContact CG2-CB 4.41Å; T494-I499 PolarHBondContact O-N 2.94Å; F497-I499 HydrophobicContact CB-CD1 4.32Å; F497-I499 HydrophobicContact CB-CG1 3.98Å; F497-I499 PolarHBondContact O-N 3.46Å; F497-I499 VanDerWaalsContact O-N 3.17Å; I499-R501 VanDerWaalsContact C-N 3.34Å; I499-R501 PolarHBondContact O-N 2.82Å
500	S	46.7	Very low	69.4	Low	80 Å²	80	44.8 Å²	44.8	56%	0.559	25%	0.251	S	S	*	.			trans	-70.3	108.7	-168.2	-169.2	0	0	0	0	102.7	G498 T502	G498-S500 WeakPolarHBondContact O-CA 3.39Å; G498-S500 PolarHBondContact O-N 2.97Å; S500-T502 WeakPolarHBondContact O-CG2 3.29Å; S500-T502 PolarHBondContact O-N 3.32Å
501	R	48.2	Very low	69.3	Low	85 Å²	85	44.5 Å²	44.5	32%	0.321	25%	0.248	S	C	.	.			trans	-60.1	78.7	151.8	-77.4	-169.5	-170.7	-168.7	4	105.2	I499 Q503 D506 H507	I499-R501 VanDerWaalsContact C-N 3.34Å; I499-R501 PolarHBondContact O-N 2.82Å; R501-Q503 PolarHBondContact O-N 3.16Å; R501-D506 WeakPolarHBondContact CA-OD2 3.34Å; R501-D506 HydrophobicContact CB-CB 3.59Å; R501-D506 HydrophobicContact CG-CB 3.6Å; R501-D506 PolarHBondContact NH1-O 2.95Å; R501-H507 WeakPolarHBondContact CD-CE1 3.38Å; R501-H507 VanDerWaalsContact NH1-CA 3.34Å; R501-H507 PolarHBondContact NH1-ND1 3.34Å
502	T	47.3	Very low	69.3	Low	98 Å²	98	43.4 Å²	43.4	60%	0.601	25%	0.245	S	C	*	.			trans	-63.8	-18.8	-170.1	54.2	0	0	0	0	111.2	S500 D506	S500-T502 WeakPolarHBondContact O-CG2 3.29Å; S500-T502 PolarHBondContact O-N 3.32Å; T502-D506 PolarHBondContact N-OD2 2.96Å
503	Q	54.8	Low	69.2	Low	36 Å²	36	43.3 Å²	43.3	17%	0.168	24%	0.244	C	C	.	.	S	Bend	trans	-116.1	146.5	-178.7	-48.7	-173.8	11.3	0	0	110.8	R501 F505 D506	R501-Q503 PolarHBondContact O-N 3.16Å; Q503-F505 PolarHBondContact O-N 3.49Å; Q503-D506 PolarHBondContact N-OD2 3.16Å; Q503-D506 PolarHBondContact O-N 3.47Å
504	S	58.7	Low	69.3	Low	67 Å²	67	43.1 Å²	43.1	47%	0.469	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18	-179.9	47.5	0	0	0	0	113.6	Q518	S504-Q518 PolarHBondContact OG-OE1 2.83Å
505	F	59.7	Low	69.7	Low	24 Å²	24	41.2 Å²	41.2	11%	0.105	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.6	-174.8	-52.9	-69.9	0	0	0	114.3	Q503 H507 L508 V514 A516 Q518 V523 L525	Q503-F505 PolarHBondContact O-N 3.49Å; F505-H507 PolarHBondContact O-N 3.38Å; F505-L508 HydrophobicContact CD1-CD1 3.98Å; F505-L508 WeakPolarHBondContact O-CB 3.34Å; F505-L508 PolarHBondContact O-N 3.4Å; F505-V514 HydrophobicContact CD1-CG1 4.33Å; F505-V514 HydrophobicContact CE1-CG1 4.25Å; F505-A516 HydrophobicContact CE1-CB 3.8Å; F505-A516 HydrophobicContact CZ-CB 3.5Å; F505-Q518 HydrophobicContact CE2-CB 4.23Å; F505-V523 HydrophobicContact CD2-CB 4.08Å; F505-V523 HydrophobicContact CD2-CG1 3.73Å; F505-V523 HydrophobicContact CD2-CG2 4.26Å; F505-V523 HydrophobicContact CE2-CB 3.79Å; F505-V523 HydrophobicContact CE2-CG1 3.99Å; F505-V523 HydrophobicContact CE2-CG2 3.87Å; F505-V523 HydrophobicContact CG-CG1 4.48Å; F505-L525 HydrophobicContact CB-CD2 4.46Å
506	D	66	Low	70.1	Confident	16 Å²	16	37.1 Å²	37.1	9%	0.086	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8	-178.4	-64.2	-19.8	0	0	0	112.9	W394 R501 T502 Q503	W394-D506 PolarHBondContact NE1-O 3.46Å; R501-D506 WeakPolarHBondContact CA-OD2 3.34Å; R501-D506 HydrophobicContact CB-CB 3.59Å; R501-D506 HydrophobicContact CG-CB 3.6Å; R501-D506 PolarHBondContact NH1-O 2.95Å; T502-D506 PolarHBondContact N-OD2 2.96Å; Q503-D506 PolarHBondContact N-OD2 3.16Å; Q503-D506 PolarHBondContact O-N 3.47Å
507	H	69.4	Low	70.7	Confident	124 Å²	124	38.4 Å²	38.4	57%	0.574	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.3	171.3	-56.6	-90.9	0	0	0	114	R501 F505	R501-H507 WeakPolarHBondContact CD-CE1 3.38Å; R501-H507 VanDerWaalsContact NH1-CA 3.34Å; R501-H507 PolarHBondContact NH1-ND1 3.34Å; F505-H507 PolarHBondContact O-N 3.38Å
508	L	80.9	Confident	71.4	Confident	38 Å²	38	38.7 Å²	38.7	20%	0.199	21%	0.214	C	C	.	.	S	Bend	trans	-92.2	150.4	-177.9	-57.7	-176.3	0	0	0	110.6	W394 F505 Y512 V514 L525	W394-L508 PolarHBondContact NE1-O 2.71Å; F505-L508 HydrophobicContact CD1-CD1 3.98Å; F505-L508 WeakPolarHBondContact O-CB 3.34Å; F505-L508 PolarHBondContact O-N 3.4Å; L508-Y512 HydrophobicContact CB-CD2 4.45Å; L508-Y512 HydrophobicContact CD2-CD2 4.24Å; L508-V514 HydrophobicContact CD1-CG2 4.05Å; L508-L525 HydrophobicContact CB-CD1 4.09Å; L508-L525 HydrophobicContact CD1-CD1 4.46Å
509	Q	86.9	Confident	72.5	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.023	24%	0.237	C	C	.	.			trans	-77.1	137	170.6	-59.1	-69.9	-18.6	0	0	108.2	I111 K390 W394 N398 I511 Y512	I111-Q509 HydrophobicContact CD1-CB 4.08Å; I111-Q509 HydrophobicContact CD1-CG 3.78Å; K390-Q509 PolarHBondContact O-NE2 3.18Å; W394-Q509 VanDerWaalsContact CD1-NE2 3.31Å; N398-Q509 PolarHBondContact ND2-OE1 2.81Å; N398-Q509 PolarHBondContact OD1-OE1 2.95Å; Q509-I511 PolarHBondContact O-N 2.68Å; Q509-I511 VanDerWaalsContact O-N 3.13Å; Q509-Y512 HydrophobicContact CB-CD1 3.87Å; Q509-Y512 HydrophobicContact CB-CE1 4.17Å; Q509-Y512 HydrophobicContact CB-CG 4.42Å; Q509-Y512 HydrophobicContact CG-CE1 4.42Å; Q509-Y512 WeakPolarHBondContact O-CB 3.44Å; Q509-Y512 PolarHBondContact O-N 3.32Å
510	L	88.8	Confident	74	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.2	176.6	-62.7	-171.5	0	0	0	112.9	N398 I455 L460 Y512 L525 S526 G527	N398-L510 HydrophobicContact CB-CD1 4.07Å; N398-L510 HydrophobicContact CB-CG 4Å; N398-L510 VanDerWaalsContact OD1-CB 3.3Å; N398-L510 WeakPolarHBondContact OD1-CB 3.38Å; N398-L510 WeakPolarHBondContact OD1-CG 3.45Å; N398-L510 PolarHBondContact OD1-N 3.15Å; I455-L510 HydrophobicContact CB-CD2 4.11Å; I455-L510 HydrophobicContact CG2-CD1 4.47Å; I455-L510 HydrophobicContact CG2-CD2 3.4Å; I455-L510 VanDerWaalsContact CG2-CD2 3.4Å; L460-L510 HydrophobicContact CD1-CD1 3.4Å; L460-L510 VanDerWaalsContact CD1-CD1 3.4Å; L460-L510 HydrophobicContact CD1-CD2 4.45Å; L460-L510 HydrophobicContact CD1-CG 3.98Å; L460-L510 HydrophobicContact CG-CD1 3.85Å; L510-Y512 PolarHBondContact O-N 3.45Å; L510-L525 HydrophobicContact CD2-CD2 3.92Å; L510-S526 WeakPolarHBondContact CB-OG 3.46Å; L510-S526 PolarHBondContact O-N 3.18Å; L510-S526 PolarHBondContact O-OG 3.38Å; L510-G527 WeakPolarHBondContact O-CA 3.24Å; L510-G527 PolarHBondContact O-N 3.02Å
511	I	89.8	Confident	76	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17	176.1	-53.3	161.9	0	0	0	111.4	F105 A107 I110 I111 I397 H401 S404 Q509 G527	F105-I511 WeakPolarHBondContact CZ-O 3.49Å; A107-I511 HydrophobicContact CB-CG2 4.06Å; I110-I511 HydrophobicContact CB-CG2 4.36Å; I110-I511 HydrophobicContact CD1-CG2 4.37Å; I110-I511 HydrophobicContact CG2-CG2 3.89Å; I111-I511 HydrophobicContact CD1-CD1 4.29Å; I111-I511 HydrophobicContact CG1-CD1 3.7Å; I397-I511 HydrophobicContact CG2-CD1 3.76Å; H401-I511 HydrophobicContact CB-CD1 3.78Å; H401-I511 HydrophobicContact CB-CG1 4.49Å; H401-I511 VanDerWaalsContact ND1-CD1 3.35Å; H401-I511 WeakPolarHBondContact ND1-CD1 3.4Å; S404-I511 WeakPolarHBondContact OG-CG1 3.36Å; Q509-I511 PolarHBondContact O-N 2.68Å; Q509-I511 VanDerWaalsContact O-N 3.13Å; I511-G527 WeakPolarHBondContact O-CA 3.32Å
512	Y	87.8	Confident	78.1	Confident	34 Å²	34	41.5 Å²	41.5	13%	0.133	22%	0.22	C	C	.	.	S	Bend	trans	-67.6	137.4	175.5	-75.7	16.3	0	0	0	109.3	A107 D108 I111 K390 L508 Q509 L510 V514	A107-Y512 HydrophobicContact CB-CD1 3.23Å; A107-Y512 HydrophobicContact CB-CE1 3.45Å; A107-Y512 VanDerWaalsContact CB-CE1 3.45Å; A107-Y512 HydrophobicContact CB-CG 4.27Å; D108-Y512 WeakPolarHBondContact OD1-CE1 3.41Å; D108-Y512 PolarHBondContact OD1-OH 2.84Å; I111-Y512 HydrophobicContact CD1-CE1 4.39Å; K390-Y512 PolarHBondContact NZ-OH 2.85Å; L508-Y512 HydrophobicContact CB-CD2 4.45Å; L508-Y512 HydrophobicContact CD2-CD2 4.24Å; Q509-Y512 HydrophobicContact CB-CD1 3.87Å; Q509-Y512 HydrophobicContact CB-CE1 4.17Å; Q509-Y512 HydrophobicContact CB-CG 4.42Å; Q509-Y512 HydrophobicContact CG-CE1 4.42Å; Q509-Y512 WeakPolarHBondContact O-CB 3.44Å; Q509-Y512 PolarHBondContact O-N 3.32Å; L510-Y512 PolarHBondContact O-N 3.45Å; Y512-V514 PolarHBondContact O-N 3.3Å
513	P	86	Confident	80.2	Confident	15 Å²	15	36.9 Å²	36.9	10%	0.097	19%	0.192	C	C	.	.			trans	-82.9	72.9	-174	35.3	-31.8	0	0	0	109.2	F105 I528 F533 I655	F105-P513 HydrophobicContact CD1-CB 4.23Å; F105-P513 HydrophobicContact CD1-CG 3.84Å; F105-P513 HydrophobicContact CE1-CB 3.99Å; F105-P513 HydrophobicContact CE1-CG 3.82Å; P513-I528 HydrophobicContact CB-CB 4.21Å; P513-I528 HydrophobicContact CB-CG1 4.21Å; P513-F533 HydrophobicContact CB-CD2 4.17Å; P513-F533 HydrophobicContact CB-CE1 4.38Å; P513-F533 HydrophobicContact CB-CE2 3.39Å; P513-F533 HydrophobicContact CB-CZ 3.5Å; P513-F533 VanDerWaalsContact CB-CZ 3.5Å; P513-F533 HydrophobicContact CG-CE2 4.12Å; P513-F533 HydrophobicContact CG-CZ 3.96Å; P513-I655 WeakPolarHBondContact O-CA 3.39Å; P513-I655 WeakPolarHBondContact O-CG2 3.15Å
514	V	85	Confident	82	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.184	C	C	.	.			trans	-108.9	129.8	-173.4	177.1	0	0	0	0	111.9	F505 L508 Y512 A516 L525 I655	F505-V514 HydrophobicContact CD1-CG1 4.33Å; F505-V514 HydrophobicContact CE1-CG1 4.25Å; L508-V514 HydrophobicContact CD1-CG2 4.05Å; Y512-V514 PolarHBondContact O-N 3.3Å; V514-A516 HydrophobicContact CG1-CB 4.31Å; V514-L525 HydrophobicContact CB-CB 4.3Å; V514-L525 HydrophobicContact CB-CD1 3.78Å; V514-L525 HydrophobicContact CB-CG 3.88Å; V514-L525 HydrophobicContact CG1-CD1 4.41Å; V514-L525 HydrophobicContact CG1-CG 4.41Å; V514-L525 HydrophobicContact CG2-CD1 4.12Å; V514-L525 PolarHBondContact O-N 3.4Å; V514-I655 VanDerWaalsContact CA-O 3.24Å; V514-I655 WeakPolarHBondContact CA-O 3.27Å
515	I	87.3	Confident	83.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	164.1	-169.5	177	0	0	0	108.7	I522 V523 I524 I528 L550 L551 Q554 I655	I515-I522 HydrophobicContact CD1-CG2 3.77Å; I515-I522 HydrophobicContact CG1-CG2 3.61Å; I515-V523 WeakPolarHBondContact CA-O 3.19Å; I515-I524 HydrophobicContact CD1-CD1 4.36Å; I515-I524 HydrophobicContact CD1-CG1 3.93Å; I515-I524 HydrophobicContact CG1-CG1 3.86Å; I515-I528 HydrophobicContact CB-CD1 3.78Å; I515-I528 HydrophobicContact CG2-CD1 3.52Å; I515-L550 HydrophobicContact CG2-CB 4.29Å; I515-L551 HydrophobicContact CD1-CB 4.25Å; I515-L551 HydrophobicContact CD1-CD1 3.91Å; I515-Q554 HydrophobicContact CB-CG 4.29Å; I515-Q554 HydrophobicContact CD1-CB 4.48Å; I515-Q554 HydrophobicContact CD1-CG 3.94Å; I515-Q554 HydrophobicContact CG1-CB 4.5Å; I515-Q554 HydrophobicContact CG1-CG 3.67Å; I515-Q554 HydrophobicContact CG2-CG 3.94Å; I515-I655 HydrophobicContact CG2-CG2 3.64Å
516	A	85.6	Confident	85.3	Confident	9 Å²	9	30.9 Å²	30.9	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.5	-173.2	0	0	0	0	0	111.6	F505 V514 I522 V523	F505-A516 HydrophobicContact CE1-CB 3.8Å; F505-A516 HydrophobicContact CZ-CB 3.5Å; V514-A516 HydrophobicContact CG1-CB 4.31Å; A516-I522 CarbonylContact O-C 3.24Å; A516-I522 WeakPolarHBondContact O-CA 3.21Å; A516-V523 PolarHBondContact N-O 3.27Å; A516-V523 PolarHBondContact O-N 3Å
517	V	83.6	Confident	86.5	Confident	41 Å²	41	30.1 Å²	30.1	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.4	178	-176.3	0	0	0	0	109.7	K521 Q554 A558	V517-K521 CarbonylContact C-O 3.47Å; V517-K521 WeakPolarHBondContact CA-O 3.4Å; V517-Q554 HydrophobicContact CG2-CB 4.04Å; V517-Q554 WeakPolarHBondContact CG2-O 3.38Å; V517-A558 HydrophobicContact CB-CB 4.41Å; V517-A558 HydrophobicContact CG1-CB 3.62Å; V517-A558 HydrophobicContact CG2-CB 3.86Å
518	Q	78.5	Confident	87.6	Confident	61 Å²	61	24.2 Å²	24.2	29%	0.285	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.1	170.4	-171.5	-173.8	11.7	0	0	109.6	S504 F505 R520 K521 V523	S504-Q518 PolarHBondContact OG-OE1 2.83Å; F505-Q518 HydrophobicContact CE2-CB 4.23Å; Q518-R520 VanDerWaalsContact C-N 3.3Å; Q518-R520 PolarHBondContact O-N 3.44Å; Q518-K521 PolarHBondContact N-O 3.45Å; Q518-K521 WeakPolarHBondContact O-CA 3.25Å; Q518-K521 WeakPolarHBondContact O-CB 3.36Å; Q518-K521 PolarHBondContact O-N 2.91Å; Q518-V523 HydrophobicContact CB-CG2 4.37Å
519	S	79.7	Confident	88.2	Confident	109 Å²	109	22.6 Å²	22.6	76%	0.762	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	47.4	175.5	-53.7	0	0	0	0	113.7	K521	S519-K521 PolarHBondContact O-N 2.99Å
520	R	83.1	Confident	88.5	Confident	83 Å²	83	24.7 Å²	24.7	31%	0.313	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	14.8	-175.7	-55.9	175.5	174	159.4	-9.5	115.4	I450 S451 Q518 E564	I450-R520 WeakPolarHBondContact CA-O 3.31Å; S451-R520 PolarHBondContact N-O 2.92Å; Q518-R520 VanDerWaalsContact C-N 3.3Å; Q518-R520 PolarHBondContact O-N 3.44Å; R520-E564 IonicContact CZ-OE1 2.63Å; R520-E564 IonicContact NH2-OE1 2.91Å; R520-E564 PolarHBondContact NH2-OE1 3.43Å
521	K	89.5	Confident	88.4	Confident	106 Å²	106	27.1 Å²	27.1	46%	0.461	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	169.9	-58.3	-177.4	178.7	173.3	0	109.2	S451 V517 Q518 S519 V523	S451-K521 CarbonylContact O-C 3.47Å; S451-K521 WeakPolarHBondContact O-CA 3.2Å; V517-K521 CarbonylContact C-O 3.47Å; V517-K521 WeakPolarHBondContact CA-O 3.4Å; Q518-K521 PolarHBondContact N-O 3.45Å; Q518-K521 WeakPolarHBondContact O-CA 3.25Å; Q518-K521 WeakPolarHBondContact O-CB 3.36Å; Q518-K521 PolarHBondContact O-N 2.91Å; S519-K521 PolarHBondContact O-N 2.99Å; K521-V523 PolarHBondContact O-N 3.08Å
522	I	92.2	Very high	88.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.7	166.2	-59.3	-177.4	0	0	0	106.9	F418 I450 S451 V452 L453 I515 A516 I524 L551 Q554 I555	F418-I522 HydrophobicContact CD2-CD1 4.44Å; F418-I522 HydrophobicContact CE2-CD1 3.84Å; I450-I522 HydrophobicContact CG2-CD1 3.96Å; I450-I522 HydrophobicContact CG2-CG1 3.87Å; S451-I522 PolarHBondContact O-N 2.97Å; V452-I522 CarbonylContact C-O 3.47Å; V452-I522 WeakPolarHBondContact CA-O 3.47Å; V452-I522 HydrophobicContact CG2-CB 4.48Å; L453-I522 PolarHBondContact N-O 3.41Å; I515-I522 HydrophobicContact CD1-CG2 3.77Å; I515-I522 HydrophobicContact CG1-CG2 3.61Å; A516-I522 CarbonylContact O-C 3.24Å; A516-I522 WeakPolarHBondContact O-CA 3.21Å; I522-I524 HydrophobicContact CG2-CG1 4.19Å; I522-L551 HydrophobicContact CD1-CD1 3.97Å; I522-L551 HydrophobicContact CG2-CD1 4.11Å; I522-Q554 HydrophobicContact CD1-CB 3.96Å; I522-Q554 HydrophobicContact CG1-CB 4.26Å; I522-Q554 HydrophobicContact CG2-CB 4.1Å; I522-Q554 HydrophobicContact CG2-CG 4.48Å; I522-I555 HydrophobicContact CD1-CB 4.39Å; I522-I555 HydrophobicContact CD1-CG1 3.53Å
523	V	91	Very high	88.2	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.1	177.1	-177.3	0	0	0	0	108.7	L453 I455 F505 I515 A516 Q518 K521 L525	L453-V523 HydrophobicContact CD2-CG2 4.5Å; L453-V523 CarbonylContact O-C 3.57Å; L453-V523 WeakPolarHBondContact O-CA 3.22Å; I455-V523 HydrophobicContact CD1-CG1 3.43Å; I455-V523 VanDerWaalsContact CD1-CG1 3.43Å; I455-V523 HydrophobicContact CG1-CG1 4Å; F505-V523 HydrophobicContact CD2-CB 4.08Å; F505-V523 HydrophobicContact CD2-CG1 3.73Å; F505-V523 HydrophobicContact CD2-CG2 4.26Å; F505-V523 HydrophobicContact CE2-CB 3.79Å; F505-V523 HydrophobicContact CE2-CG1 3.99Å; F505-V523 HydrophobicContact CE2-CG2 3.87Å; F505-V523 HydrophobicContact CG-CG1 4.48Å; I515-V523 WeakPolarHBondContact CA-O 3.19Å; A516-V523 PolarHBondContact N-O 3.27Å; A516-V523 PolarHBondContact O-N 3Å; Q518-V523 HydrophobicContact CB-CG2 4.37Å; K521-V523 PolarHBondContact O-N 3.08Å; V523-L525 HydrophobicContact CG1-CD2 4.42Å
524	I	93.4	Very high	88.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.5	179.8	-57.9	171.8	0	0	0	107.7	V414 V452 L453 M454 I455 I515 I522 I528 L529 F547	V414-I524 HydrophobicContact CG1-CD1 3.96Å; V452-I524 HydrophobicContact CG2-CD1 3.32Å; V452-I524 HydrophobicContact CG2-CG1 4.05Å; L453-I524 PolarHBondContact O-N 3.48Å; M454-I524 WeakPolarHBondContact CA-O 3.16Å; M454-I524 HydrophobicContact CG-CB 4.17Å; M454-I524 HydrophobicContact CG-CD1 4.05Å; I455-I524 PolarHBondContact N-O 3.49Å; I515-I524 HydrophobicContact CD1-CD1 4.36Å; I515-I524 HydrophobicContact CD1-CG1 3.93Å; I515-I524 HydrophobicContact CG1-CG1 3.86Å; I522-I524 HydrophobicContact CG2-CG1 4.19Å; I524-I528 HydrophobicContact CG2-CG2 3.44Å; I524-I528 VanDerWaalsContact CG2-CG2 3.44Å; I524-L529 HydrophobicContact CG2-CD1 4.03Å; I524-L529 HydrophobicContact CG2-CD2 4.05Å; I524-L529 HydrophobicContact CG2-CG 3.88Å; I524-F547 HydrophobicContact CD1-CZ 4.07Å
525	L	93	Very high	88.8	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.6	169.1	-58.3	-167.5	0	0	0	110	I455 F505 L508 L510 V514 V523 G527 I528	I455-L525 HydrophobicContact CB-CD2 3.97Å; I455-L525 HydrophobicContact CD1-CD2 4.03Å; I455-L525 HydrophobicContact CG1-CD2 4.38Å; I455-L525 HydrophobicContact CG2-CD2 4.47Å; F505-L525 HydrophobicContact CB-CD2 4.46Å; L508-L525 HydrophobicContact CB-CD1 4.09Å; L508-L525 HydrophobicContact CD1-CD1 4.46Å; L510-L525 HydrophobicContact CD2-CD2 3.92Å; V514-L525 HydrophobicContact CB-CB 4.3Å; V514-L525 HydrophobicContact CB-CD1 3.78Å; V514-L525 HydrophobicContact CB-CG 3.88Å; V514-L525 HydrophobicContact CG1-CD1 4.41Å; V514-L525 HydrophobicContact CG1-CG 4.41Å; V514-L525 HydrophobicContact CG2-CD1 4.12Å; V514-L525 PolarHBondContact O-N 3.4Å; V523-L525 HydrophobicContact CG1-CD2 4.42Å; L525-G527 PolarHBondContact O-N 2.97Å; L525-I528 VanDerWaalsContact O-CG2 3.31Å; L525-I528 WeakPolarHBondContact O-CG2 3.48Å; L525-I528 PolarHBondContact O-N 3.48Å
526	S	94.3	Very high	89	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54	-31.8	-172.7	63.9	0	0	0	0	114.6	Y403 S404 I455 L510 I528 L529 H530	Y403-S526 WeakPolarHBondContact O-CB 3.33Å; Y403-S526 PolarHBondContact O-OG 3.21Å; S404-S526 WeakPolarHBondContact CA-OG 3.48Å; S404-S526 PolarHBondContact O-OG 3.4Å; I455-S526 PolarHBondContact O-N 3.08Å; I455-S526 VanDerWaalsContact O-N 3.1Å; L510-S526 WeakPolarHBondContact CB-OG 3.46Å; L510-S526 PolarHBondContact O-N 3.18Å; L510-S526 PolarHBondContact O-OG 3.38Å; S526-I528 PolarHBondContact O-N 3.36Å; S526-L529 WeakPolarHBondContact O-CA 3.28Å; S526-L529 WeakPolarHBondContact O-CB 3.35Å; S526-L529 PolarHBondContact O-N 2.98Å; S526-H530 PolarHBondContact O-CD2 3.31Å
527	G	91.9	Very high	89.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32.1	-177.9	0	0	0	0	0	114.4	L510 I511 L525 L529	L510-G527 WeakPolarHBondContact O-CA 3.24Å; L510-G527 PolarHBondContact O-N 3.02Å; I511-G527 WeakPolarHBondContact O-CA 3.32Å; L525-G527 PolarHBondContact O-N 2.97Å; G527-L529 PolarHBondContact O-N 3.08Å
528	I	91.1	Very high	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-77.6	-9.9	176.9	-151.5	177	0	0	0	112.9	P513 I515 I524 L525 S526 H530 F533 F547 L550 I655	P513-I528 HydrophobicContact CB-CB 4.21Å; P513-I528 HydrophobicContact CB-CG1 4.21Å; I515-I528 HydrophobicContact CB-CD1 3.78Å; I515-I528 HydrophobicContact CG2-CD1 3.52Å; I524-I528 HydrophobicContact CG2-CG2 3.44Å; I524-I528 VanDerWaalsContact CG2-CG2 3.44Å; L525-I528 VanDerWaalsContact O-CG2 3.31Å; L525-I528 WeakPolarHBondContact O-CG2 3.48Å; L525-I528 PolarHBondContact O-N 3.48Å; S526-I528 PolarHBondContact O-N 3.36Å; I528-H530 VanDerWaalsContact C-N 3.32Å; I528-F533 HydrophobicContact CG1-CB 4.2Å; I528-F533 HydrophobicContact CG1-CD1 4.13Å; I528-F533 HydrophobicContact CG1-CD2 4.32Å; I528-F533 HydrophobicContact CG1-CG 3.96Å; I528-F533 WeakPolarHBondContact O-CB 3.13Å; I528-F547 HydrophobicContact CG2-CE2 4.11Å; I528-L550 HydrophobicContact CD1-CD1 4Å; I528-L550 HydrophobicContact CG1-CD1 4.37Å; I528-I655 HydrophobicContact CD1-CG2 3.65Å
529	L	94.6	Very high	90.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-99	24.6	176.2	-57.4	-174.4	0	0	0	112.2	I406 T410 V414 M454 I524 S526 G527 F547	I406-L529 HydrophobicContact CD1-CD1 3.64Å; I406-L529 HydrophobicContact CG1-CD1 4.01Å; I406-L529 HydrophobicContact CG2-CD1 3.78Å; T410-L529 HydrophobicContact CG2-CB 4.1Å; T410-L529 HydrophobicContact CG2-CD1 4.14Å; V414-L529 HydrophobicContact CG2-CD1 4.4Å; V414-L529 HydrophobicContact CG2-CD2 3.85Å; M454-L529 HydrophobicContact CG-CD1 4.49Å; M454-L529 HydrophobicContact SD-CD1 4.13Å; I524-L529 HydrophobicContact CG2-CD1 4.03Å; I524-L529 HydrophobicContact CG2-CD2 4.05Å; I524-L529 HydrophobicContact CG2-CG 3.88Å; S526-L529 WeakPolarHBondContact O-CA 3.28Å; S526-L529 WeakPolarHBondContact O-CB 3.35Å; S526-L529 PolarHBondContact O-N 2.98Å; G527-L529 PolarHBondContact O-N 3.08Å; L529-F547 HydrophobicContact CD2-CD2 4Å; L529-F547 HydrophobicContact CD2-CE1 4.34Å; L529-F547 HydrophobicContact CD2-CE2 3.38Å; L529-F547 HydrophobicContact CD2-CZ 3.58Å
530	H	91.7	Very high	91	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.222	18%	0.176	C	C	.	.	S	Bend	trans	-127.7	171.4	170.9	-69.2	-83	0	0	0	111.2	Y403 S405 S526 I528 F533 W534	Y403-H530 HydrophobicContact CD1-CB 3.34Å; Y403-H530 AromaticContact CD1-CD2 3.71Å; Y403-H530 AromaticContact CD1-CG 3.41Å; Y403-H530 VanDerWaalsContact CD1-CG 3.41Å; Y403-H530 HydrophobicContact CE1-CB 3.36Å; Y403-H530 AromaticContact CE1-CG 3.83Å; Y403-H530 HydrophobicContact CG-CB 4.46Å; Y403-H530 PolarHBondContact O-CD2 3.04Å; Y403-H530 PolarHBondContact O-NE2 3.19Å; S405-H530 PolarHBondContact O-NE2 2.97Å; S526-H530 PolarHBondContact O-CD2 3.31Å; I528-H530 VanDerWaalsContact C-N 3.32Å; H530-F533 WeakPolarHBondContact O-CB 3.44Å; H530-F533 PolarHBondContact O-N 3.44Å; H530-W534 CarbonylContact C-O 3.54Å; H530-W534 WeakPolarHBondContact CA-O 3.39Å; H530-W534 PolarHBondContact O-N 2.92Å
531	S	87.7	Confident	91.5	Very high	56 Å²	56	28.9 Å²	28.9	39%	0.392	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	139.2	178.5	-176.2	0	0	0	0	110.6	F105 W534	F105-S531 WeakPolarHBondContact CD2-O 3.04Å; S531-W534 WeakPolarHBondContact CA-O 3.4Å; S531-W534 PolarHBondContact N-O 3.33Å
532	P	85.6	Confident	91.8	Very high	18 Å²	18	25.2 Å²	25.2	12%	0.117	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	-2.5	8.5	35.1	-36.7	0	0	0	115.2	Y101 F105 I645	Y101-P532 HydrophobicContact CD1-CB 4.42Å; Y101-P532 HydrophobicContact CE1-CB 4.09Å; F105-P532 HydrophobicContact CB-CG 4.39Å; P532-I645 HydrophobicContact CB-CD1 4.31Å; P532-I645 HydrophobicContact CG-CD1 3.84Å
533	F	88	Confident	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-37.8	-173.8	-53.5	-80.2	0	0	0	112.8	F105 P513 I528 H530 I546 L550 I645 L650 I655	F105-F533 HydrophobicContact CB-CE2 4.19Å; F105-F533 HydrophobicContact CB-CZ 4.5Å; F105-F533 AromaticContact CD1-CE2 3.92Å; F105-F533 HydrophobicContact CD1-CE2 3.92Å; F105-F533 HydrophobicContact CD1-CZ 4.47Å; F105-F533 HydrophobicContact CD2-CE2 4.22Å; F105-F533 HydrophobicContact CE1-CE2 4.35Å; F105-F533 AromaticContact CG-CE2 3.85Å; F105-F533 HydrophobicContact CG-CE2 3.85Å; P513-F533 HydrophobicContact CB-CD2 4.17Å; P513-F533 HydrophobicContact CB-CE1 4.38Å; P513-F533 HydrophobicContact CB-CE2 3.39Å; P513-F533 HydrophobicContact CB-CZ 3.5Å; P513-F533 VanDerWaalsContact CB-CZ 3.5Å; P513-F533 HydrophobicContact CG-CE2 4.12Å; P513-F533 HydrophobicContact CG-CZ 3.96Å; I528-F533 HydrophobicContact CG1-CB 4.2Å; I528-F533 HydrophobicContact CG1-CD1 4.13Å; I528-F533 HydrophobicContact CG1-CD2 4.32Å; I528-F533 HydrophobicContact CG1-CG 3.96Å; I528-F533 WeakPolarHBondContact O-CB 3.13Å; H530-F533 WeakPolarHBondContact O-CB 3.44Å; H530-F533 PolarHBondContact O-N 3.44Å; F533-I546 VanDerWaalsContact O-CG2 3.3Å; F533-I546 WeakPolarHBondContact O-CG2 3.32Å; F533-L550 HydrophobicContact CD1-CD1 3.99Å; F533-I645 HydrophobicContact CD1-CD1 3.72Å; F533-I645 HydrophobicContact CD1-CG1 4.01Å; F533-I645 HydrophobicContact CE1-CD1 3.73Å; F533-I645 HydrophobicContact CE1-CG1 4.09Å; F533-L650 HydrophobicContact CE1-CD1 3.56Å; F533-L650 HydrophobicContact CE2-CD1 4.37Å; F533-L650 HydrophobicContact CZ-CD1 3.33Å; F533-L650 HydrophobicContact CZ-CD2 4.34Å; F533-L650 HydrophobicContact CZ-CG 4.42Å; F533-I655 HydrophobicContact CE1-CD1 3.96Å
534	W	91.7	Very high	92.2	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.019	15%	0.146	C	C	.	.			trans	-142	138.7	-177.9	-177.4	-89.9	0	0	0	111	T410 E413 V414 M417 H530 S531 K543 F547	T410-W534 HydrophobicContact CG2-CD2 4.31Å; T410-W534 HydrophobicContact CG2-CG 4.4Å; T410-W534 HydrophobicContact CG2-CZ2 4.08Å; T410-W534 VanDerWaalsContact CG2-NE1 3.26Å; T410-W534 PolarHBondContact OG1-NE1 3.01Å; E413-W534 HydrophobicContact CB-CH2 3.72Å; E413-W534 HydrophobicContact CB-CZ2 3.83Å; E413-W534 WeakPolarHBondContact OE2-CH2 3.45Å; E413-W534 WeakPolarHBondContact OE2-CZ2 3.47Å; V414-W534 HydrophobicContact CG2-CE3 4.44Å; V414-W534 HydrophobicContact CG2-CH2 4.06Å; V414-W534 HydrophobicContact CG2-CZ2 4.44Å; V414-W534 HydrophobicContact CG2-CZ3 4.05Å; M417-W534 HydrophobicContact SD-CH2 4.08Å; M417-W534 HydrophobicContact SD-CZ3 3.76Å; H530-W534 CarbonylContact C-O 3.54Å; H530-W534 WeakPolarHBondContact CA-O 3.39Å; H530-W534 PolarHBondContact O-N 2.92Å; S531-W534 WeakPolarHBondContact CA-O 3.4Å; S531-W534 PolarHBondContact N-O 3.33Å; W534-K543 HydrophobicContact CE3-CG 4.39Å; W534-K543 HydrophobicContact CH2-CD 3.9Å; W534-K543 HydrophobicContact CH2-CG 4.44Å; W534-K543 HydrophobicContact CZ2-CD 4.24Å; W534-K543 HydrophobicContact CZ3-CB 4.26Å; W534-K543 HydrophobicContact CZ3-CD 4.13Å; W534-K543 HydrophobicContact CZ3-CG 4.16Å; W534-F547 HydrophobicContact CE3-CB 4.02Å; W534-F547 HydrophobicContact CE3-CD1 4.07Å; W534-F547 HydrophobicContact CE3-CG 4.01Å; W534-F547 HydrophobicContact CZ3-CB 4.48Å; W534-F547 HydrophobicContact CZ3-CD1 4.01Å; W534-F547 HydrophobicContact CZ3-CG 4.39Å
535	S	91.3	Very high	92.3	Very high	32 Å²	32	25.3 Å²	25.3	22%	0.224	15%	0.146	C	C	.	.			trans	-147.1	141.1	167.1	178.3	0	0	0	0	107.9	S537 H538 K543	S535-S537 PolarHBondContact O-N 2.97Å; S535-S537 PolarHBondContact OG-N 3.39Å; S535-S537 PolarHBondContact OG-OG 3.04Å; S535-H538 PolarHBondContact N-ND1 3.31Å; S535-H538 WeakPolarHBondContact O-CB 3.28Å; S535-H538 PolarHBondContact O-N 3.38Å; S535-H538 VanDerWaalsContact O-N 3.09Å; S535-K543 WeakPolarHBondContact O-CE 3.32Å
536	E	90.8	Very high	92.3	Very high	110 Å²	110	25.5 Å²	25.5	51%	0.514	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	172.3	-65.6	-173.1	175.9	0	0	111.3	S407	S407-E536 WeakPolarHBondContact CB-OE1 3.28Å; S407-E536 PolarHBondContact OG-OE1 2.96Å
537	S	91	Very high	92.3	Very high	103 Å²	103	25.5 Å²	25.5	72%	0.72	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.2	177.4	72.1	0	0	0	0	115	S535	S535-S537 PolarHBondContact O-N 2.97Å; S535-S537 PolarHBondContact OG-N 3.39Å; S535-S537 PolarHBondContact OG-OG 3.04Å
538	H	91.8	Very high	92.5	Very high	26 Å²	26	25.5 Å²	25.5	12%	0.12	15%	0.146	C	C	.	.	S	Bend	trans	-68	141.4	178.3	-71.8	165.4	0	0	0	110.5	S535 E542 K543	S535-H538 PolarHBondContact N-ND1 3.31Å; S535-H538 WeakPolarHBondContact O-CB 3.28Å; S535-H538 PolarHBondContact O-N 3.38Å; S535-H538 VanDerWaalsContact O-N 3.09Å; H538-E542 WeakPolarHBondContact CA-OE2 3.35Å; H538-E542 HydrophobicContact CB-CB 3.98Å; H538-K543 HydrophobicContact CB-CG 3.87Å; H538-K543 VanDerWaalsContact O-CE 3.28Å; H538-K543 WeakPolarHBondContact O-CE 3.46Å
539	S	93.7	Very high	92.6	Very high	39 Å²	39	25.6 Å²	25.6	27%	0.273	15%	0.147	S	C	.	.			trans	-64.7	163	171.1	81.1	0	0	0	0	110.6	S541 E542 K543	S539-S541 VanDerWaalsContact C-N 3.27Å; S539-S541 PolarHBondContact O-N 3.45Å; S539-S541 PolarHBondContact OG-N 3.42Å; S539-S541 PolarHBondContact OG-OG 3.48Å; S539-E542 PolarHBondContact N-OE2 3.43Å; S539-E542 PolarHBondContact O-N 3Å; S539-E542 VanDerWaalsContact O-N 3.11Å; S539-E542 PolarHBondContact OG-N 3.26Å; S539-E542 PolarHBondContact OG-OE2 2.98Å; S539-K543 WeakPolarHBondContact O-CG 3.37Å; S539-K543 PolarHBondContact O-N 2.99Å
540	M	93.5	Very high	92.5	Very high	56 Å²	56	25.4 Å²	25.4	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-63.6	-33.4	176.2	-72.2	-67.2	153.7	0	0	112.1	E542 K543 Y544 Y621 R624	M540-E542 VanDerWaalsContact C-N 3.3Å; M540-E542 PolarHBondContact O-N 2.83Å; M540-K543 HydrophobicContact CE-CD 3.9Å; M540-K543 PolarHBondContact O-N 3.43Å; M540-K543 HydrophobicContact SD-CD 4.03Å; M540-Y544 WeakPolarHBondContact O-CB 3.49Å; M540-Y544 WeakPolarHBondContact O-CD2 3.44Å; M540-Y544 PolarHBondContact O-N 3.36Å; M540-Y621 HydrophobicContact CB-CE2 3.94Å; M540-R624 PolarHBondContact SD-NH1 3.41Å
541	S	94.6	Very high	92.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-41.2	172.2	62.9	0	0	0	0	112.1	S539 G545 E634 M637 F638	S539-S541 VanDerWaalsContact C-N 3.27Å; S539-S541 PolarHBondContact O-N 3.45Å; S539-S541 PolarHBondContact OG-N 3.42Å; S539-S541 PolarHBondContact OG-OG 3.48Å; S541-G545 PolarHBondContact O-N 3.18Å; S541-E634 WeakPolarHBondContact CB-O 3.42Å; S541-E634 WeakPolarHBondContact CB-OE2 3.48Å; S541-E634 PolarHBondContact OG-OE2 3.28Å; S541-M637 WeakPolarHBondContact OG-CB 3.01Å; S541-F638 WeakPolarHBondContact O-CA 3.27Å
542	E	94.4	Very high	93.1	Very high	29 Å²	29	20.4 Å²	20.4	14%	0.136	12%	0.117	C	C	.	.	H	α-helix	trans	-69.8	-45.4	179.8	-68.6	175	123.5	0	0	111.3	H538 S539 M540 Y544 G545 I546 M637 A641	H538-E542 WeakPolarHBondContact CA-OE2 3.35Å; H538-E542 HydrophobicContact CB-CB 3.98Å; S539-E542 PolarHBondContact N-OE2 3.43Å; S539-E542 PolarHBondContact O-N 3Å; S539-E542 VanDerWaalsContact O-N 3.11Å; S539-E542 PolarHBondContact OG-N 3.26Å; S539-E542 PolarHBondContact OG-OE2 2.98Å; M540-E542 VanDerWaalsContact C-N 3.3Å; M540-E542 PolarHBondContact O-N 2.83Å; E542-Y544 VanDerWaalsContact C-N 3.35Å; E542-Y544 PolarHBondContact O-N 2.97Å; E542-G545 PolarHBondContact O-N 3.01Å; E542-I546 WeakPolarHBondContact O-CB 3.49Å; E542-I546 WeakPolarHBondContact O-CG1 3.49Å; E542-I546 PolarHBondContact O-N 3.39Å; E542-M637 HydrophobicContact CG-CE 4Å; E542-A641 HydrophobicContact CB-CB 4.16Å; E542-A641 HydrophobicContact CG-CB 4.1Å
543	K	95.7	Very high	93.4	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.022	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-45.9	176.4	-70.8	175.9	178.4	175.7	0	111.6	E413 M417 W534 S535 H538 S539 M540 F547 G548	E413-K543 IonicContact OE1-NZ 2.8Å; E413-K543 IonicContact OE2-NZ 3.88Å; E413-K543 PolarHBondContact OE2-NZ 2.91Å; M417-K543 HydrophobicContact SD-CB 4.35Å; W534-K543 HydrophobicContact CE3-CG 4.39Å; W534-K543 HydrophobicContact CH2-CD 3.9Å; W534-K543 HydrophobicContact CH2-CG 4.44Å; W534-K543 HydrophobicContact CZ2-CD 4.24Å; W534-K543 HydrophobicContact CZ3-CB 4.26Å; W534-K543 HydrophobicContact CZ3-CD 4.13Å; W534-K543 HydrophobicContact CZ3-CG 4.16Å; S535-K543 WeakPolarHBondContact O-CE 3.32Å; H538-K543 HydrophobicContact CB-CG 3.87Å; H538-K543 VanDerWaalsContact O-CE 3.28Å; H538-K543 WeakPolarHBondContact O-CE 3.46Å; S539-K543 WeakPolarHBondContact O-CG 3.37Å; S539-K543 PolarHBondContact O-N 2.99Å; M540-K543 HydrophobicContact CE-CD 3.9Å; M540-K543 PolarHBondContact O-N 3.43Å; M540-K543 HydrophobicContact SD-CD 4.03Å; K543-F547 PolarHBondContact O-N 3.34Å; K543-G548 PolarHBondContact O-N 2.97Å
544	Y	96.5	Very high	93.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-69.6	-37.6	176.6	-90.5	-86.6	0	0	0	112.4	M417 E420 M540 E542 G548 W549 S617 A620 Y621 F638	M417-Y544 HydrophobicContact CE-CD1 3.92Å; M417-Y544 HydrophobicContact CE-CD2 3.88Å; M417-Y544 HydrophobicContact CE-CE1 4.03Å; M417-Y544 HydrophobicContact CE-CE2 4.03Å; M417-Y544 HydrophobicContact CE-CG 3.84Å; M417-Y544 HydrophobicContact CG-CE1 4.48Å; M417-Y544 HydrophobicContact CG-CE2 3.86Å; M417-Y544 HydrophobicContact SD-CD2 4.46Å; M417-Y544 HydrophobicContact SD-CE2 4.27Å; E420-Y544 PolarHBondContact OE2-OH 3.15Å; M540-Y544 WeakPolarHBondContact O-CB 3.49Å; M540-Y544 WeakPolarHBondContact O-CD2 3.44Å; M540-Y544 PolarHBondContact O-N 3.36Å; E542-Y544 VanDerWaalsContact C-N 3.35Å; E542-Y544 PolarHBondContact O-N 2.97Å; Y544-G548 CarbonylContact O-C 3.5Å; Y544-G548 VanDerWaalsContact O-CA 3.24Å; Y544-G548 WeakPolarHBondContact O-CA 3.49Å; Y544-G548 PolarHBondContact O-N 3.26Å; Y544-W549 PolarHBondContact O-N 2.92Å; Y544-S617 WeakPolarHBondContact CD1-O 3.31Å; Y544-S617 WeakPolarHBondContact CD1-OG 3.39Å; Y544-S617 PolarHBondContact O-OG 2.92Å; Y544-A620 HydrophobicContact CE1-CB 3.94Å; Y544-Y621 AromaticContact CD2-CD2 3.72Å; Y544-Y621 HydrophobicContact CD2-CD2 3.72Å; Y544-Y621 HydrophobicContact CD2-CG 4.36Å; Y544-Y621 HydrophobicContact CE2-CD2 4.32Å; Y544-Y621 AromaticContact CG-CD2 3.95Å; Y544-Y621 HydrophobicContact CG-CD2 3.95Å; Y544-Y621 HydrophobicContact CG-CG 4.12Å; Y544-F638 WeakPolarHBondContact O-CE2 3.33Å
545	G	94.8	Very high	93.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-66.8	-38.2	177.7	0	0	0	0	0	113.5	S541 E542 W549 F638 F642	S541-G545 PolarHBondContact O-N 3.18Å; E542-G545 PolarHBondContact O-N 3.01Å; G545-W549 WeakPolarHBondContact O-CB 3.46Å; G545-F638 WeakPolarHBondContact CA-O 3.25Å; G545-F638 VanDerWaalsContact N-CD2 3.33Å; G545-F642 VanDerWaalsContact O-CA 3.31Å; G545-F642 WeakPolarHBondContact O-CA 3.34Å; G545-F642 VanDerWaalsContact O-CB 3.27Å; G545-F642 WeakPolarHBondContact O-CB 3.43Å
546	I	92.8	Very high	93.7	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.1	C	C	.	.	I	π-helix	trans	-92.5	-76.2	-178.3	-60.8	163.5	0	0	0	110.3	F533 E542 W549 L550 A641 I645	F533-I546 VanDerWaalsContact O-CG2 3.3Å; F533-I546 WeakPolarHBondContact O-CG2 3.32Å; E542-I546 WeakPolarHBondContact O-CB 3.49Å; E542-I546 WeakPolarHBondContact O-CG1 3.49Å; E542-I546 PolarHBondContact O-N 3.39Å; I546-W549 PolarHBondContact O-N 3.21Å; I546-L550 PolarHBondContact O-N 2.99Å; I546-A641 HydrophobicContact CD1-CB 3.96Å; I546-A641 HydrophobicContact CG1-CB 3.78Å; I546-A641 WeakPolarHBondContact CG1-O 3.39Å; I546-I645 HydrophobicContact CG1-CB 4.47Å; I546-I645 HydrophobicContact CG1-CG2 4.38Å; I546-I645 HydrophobicContact CG2-CB 4.03Å; I546-I645 HydrophobicContact CG2-CG1 4.06Å; I546-I645 HydrophobicContact CG2-CG2 4.04Å
547	F	94.3	Very high	93.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-72.3	-36.5	-173.3	-176.7	-98.6	0	0	0	112.1	V414 M417 I524 I528 L529 W534 K543 W549 L550 L551	V414-F547 HydrophobicContact CB-CE1 4.38Å; V414-F547 HydrophobicContact CG1-CE1 3.88Å; V414-F547 HydrophobicContact CG1-CZ 4.07Å; V414-F547 HydrophobicContact CG2-CD1 4.46Å; V414-F547 HydrophobicContact CG2-CE1 3.82Å; V414-F547 HydrophobicContact CG2-CZ 4.2Å; M417-F547 HydrophobicContact CE-CD1 4.38Å; I524-F547 HydrophobicContact CD1-CZ 4.07Å; I528-F547 HydrophobicContact CG2-CE2 4.11Å; L529-F547 HydrophobicContact CD2-CD2 4Å; L529-F547 HydrophobicContact CD2-CE1 4.34Å; L529-F547 HydrophobicContact CD2-CE2 3.38Å; L529-F547 HydrophobicContact CD2-CZ 3.58Å; W534-F547 HydrophobicContact CE3-CB 4.02Å; W534-F547 HydrophobicContact CE3-CD1 4.07Å; W534-F547 HydrophobicContact CE3-CG 4.01Å; W534-F547 HydrophobicContact CZ3-CB 4.48Å; W534-F547 HydrophobicContact CZ3-CD1 4.01Å; W534-F547 HydrophobicContact CZ3-CG 4.39Å; K543-F547 PolarHBondContact O-N 3.34Å; F547-W549 VanDerWaalsContact C-N 3.28Å; F547-W549 PolarHBondContact O-N 2.92Å; F547-L550 PolarHBondContact O-N 3.46Å; F547-L551 HydrophobicContact CD1-CB 4.48Å; F547-L551 HydrophobicContact CE1-CB 4.09Å; F547-L551 HydrophobicContact CE1-CD2 3.76Å; F547-L551 HydrophobicContact CE1-CG 4.48Å; F547-L551 HydrophobicContact CZ-CB 4.39Å; F547-L551 HydrophobicContact CZ-CD2 4.42Å; F547-L551 WeakPolarHBondContact O-CB 3.39Å; F547-L551 PolarHBondContact O-N 3.42Å
548	G	95.9	Very high	93.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-60.6	-36.5	175.8	0	0	0	0	0	112.7	K543 Y544 G552 S617	K543-G548 PolarHBondContact O-N 2.97Å; Y544-G548 CarbonylContact O-C 3.5Å; Y544-G548 VanDerWaalsContact O-CA 3.24Å; Y544-G548 WeakPolarHBondContact O-CA 3.49Å; Y544-G548 PolarHBondContact O-N 3.26Å; G548-G552 WeakPolarHBondContact O-CA 3.48Å; G548-G552 PolarHBondContact O-N 2.93Å; G548-S617 VanDerWaalsContact C-OG 3.25Å; G548-S617 WeakPolarHBondContact CA-OG 3.46Å; G548-S617 WeakPolarHBondContact O-CB 3.47Å
549	W	94.2	Very high	93.2	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-63.9	-47.3	172.8	167.3	53.4	0	0	0	112.4	Y544 G545 I546 F547 G552 S553 G610 L614 F642 I645 V646 L652 F668	Y544-W549 PolarHBondContact O-N 2.92Å; G545-W549 WeakPolarHBondContact O-CB 3.46Å; I546-W549 PolarHBondContact O-N 3.21Å; F547-W549 VanDerWaalsContact C-N 3.28Å; F547-W549 PolarHBondContact O-N 2.92Å; W549-G552 PolarHBondContact O-N 3.39Å; W549-S553 PolarHBondContact NE1-OG 2.94Å; W549-S553 WeakPolarHBondContact O-CB 3.41Å; W549-S553 PolarHBondContact O-N 2.79Å; W549-S553 PolarHBondContact O-OG 3.41Å; W549-G610 PolarHBondContact NE1-O 3.02Å; W549-G610 VanDerWaalsContact NE1-O 3.08Å; W549-L614 HydrophobicContact CB-CD1 3.79Å; W549-L614 HydrophobicContact CG-CB 4.37Å; W549-L614 HydrophobicContact CG-CD1 3.95Å; W549-F642 HydrophobicContact CB-CD2 4.18Å; W549-F642 AromaticContact CD2-CD2 3.52Å; W549-F642 HydrophobicContact CD2-CD2 3.52Å; W549-F642 AromaticContact CD2-CE2 3.39Å; W549-F642 HydrophobicContact CD2-CE2 3.39Å; W549-F642 AromaticContact CE2-CE2 3.49Å; W549-F642 VanDerWaalsContact CE2-CE2 3.49Å; W549-F642 AromaticContact CE3-CD2 3.66Å; W549-F642 HydrophobicContact CE3-CD2 3.66Å; W549-F642 AromaticContact CE3-CE2 3.68Å; W549-F642 HydrophobicContact CE3-CE2 3.68Å; W549-F642 AromaticContact CG-CD2 3.71Å; W549-F642 HydrophobicContact CG-CD2 3.71Å; W549-F642 AromaticContact CG-CE2 3.86Å; W549-F642 HydrophobicContact CG-CE2 3.86Å; W549-F642 HydrophobicContact CH2-CE2 4.13Å; W549-F642 AromaticContact CZ2-CE2 3.91Å; W549-F642 HydrophobicContact CZ2-CE2 3.91Å; W549-F642 HydrophobicContact CZ3-CD2 4.33Å; W549-F642 HydrophobicContact CZ3-CE2 4.02Å; W549-F642 AromaticContact NE1-CE2 3.88Å; W549-I645 HydrophobicContact CE3-CG2 4.26Å; W549-I645 HydrophobicContact CZ3-CG2 4.2Å; W549-V646 HydrophobicContact CE3-CG2 4.39Å; W549-V646 HydrophobicContact CH2-CG2 3.68Å; W549-V646 HydrophobicContact CZ3-CG2 3.58Å; W549-L652 HydrophobicContact CH2-CB 4.31Å; W549-L652 HydrophobicContact CH2-CD1 4.37Å; W549-L652 HydrophobicContact CZ2-CB 4.39Å; W549-L652 HydrophobicContact CZ2-CD1 4.27Å; W549-F668 HydrophobicContact CH2-CE2 4.11Å; W549-F668 HydrophobicContact CH2-CZ 4.38Å; W549-F668 AromaticContact CZ2-CE2 3.57Å; W549-F668 HydrophobicContact CZ2-CE2 3.57Å; W549-F668 AromaticContact CZ2-CZ 3.82Å; W549-F668 HydrophobicContact CZ2-CZ 3.82Å
550	L	92.8	Very high	92.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61	-46.8	178.8	-64.5	170.7	0	0	0	111.5	I515 I528 F533 I546 F547 S553 Q554 L652 I655	I515-L550 HydrophobicContact CG2-CB 4.29Å; I528-L550 HydrophobicContact CD1-CD1 4Å; I528-L550 HydrophobicContact CG1-CD1 4.37Å; F533-L550 HydrophobicContact CD1-CD1 3.99Å; I546-L550 PolarHBondContact O-N 2.99Å; F547-L550 PolarHBondContact O-N 3.46Å; L550-S553 PolarHBondContact O-N 3.43Å; L550-Q554 PolarHBondContact O-N 3.33Å; L550-L652 HydrophobicContact CD2-CD1 3.65Å; L550-I655 HydrophobicContact CD1-CD1 4.15Å; L550-I655 HydrophobicContact CD2-CD1 3.52Å; L550-I655 HydrophobicContact CD2-CG2 4.44Å
551	L	95.3	Very high	91.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.4	-45.4	178	179.9	57.1	0	0	0	111.6	F418 M421 I515 I522 F547 S553 Q554 I555	F418-L551 HydrophobicContact CB-CD2 3.99Å; F418-L551 HydrophobicContact CD2-CD1 4.06Å; F418-L551 HydrophobicContact CD2-CD2 4.45Å; M421-L551 HydrophobicContact CE-CB 3.94Å; M421-L551 HydrophobicContact CE-CD2 3.32Å; M421-L551 HydrophobicContact CE-CG 3.56Å; I515-L551 HydrophobicContact CD1-CB 4.25Å; I515-L551 HydrophobicContact CD1-CD1 3.91Å; I522-L551 HydrophobicContact CD1-CD1 3.97Å; I522-L551 HydrophobicContact CG2-CD1 4.11Å; F547-L551 HydrophobicContact CD1-CB 4.48Å; F547-L551 HydrophobicContact CE1-CB 4.09Å; F547-L551 HydrophobicContact CE1-CD2 3.76Å; F547-L551 HydrophobicContact CE1-CG 4.48Å; F547-L551 HydrophobicContact CZ-CB 4.39Å; F547-L551 HydrophobicContact CZ-CD2 4.42Å; F547-L551 WeakPolarHBondContact O-CB 3.39Å; F547-L551 PolarHBondContact O-N 3.42Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.34Å; L551-Q554 PolarHBondContact O-N 3.36Å; L551-I555 HydrophobicContact CG-CD1 4.28Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.35Å
552	G	95.7	Very high	89.7	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.4	-41.3	175.3	0	0	0	0	0	112.2	G548 W549 Q554 I555 I556	G548-G552 WeakPolarHBondContact O-CA 3.48Å; G548-G552 PolarHBondContact O-N 2.93Å; W549-G552 PolarHBondContact O-N 3.39Å; G552-Q554 VanDerWaalsContact C-N 3.33Å; G552-Q554 PolarHBondContact O-N 3.06Å; G552-I555 PolarHBondContact O-N 3.19Å; G552-I556 WeakPolarHBondContact O-CG1 3.32Å; G552-I556 PolarHBondContact O-N 3.38Å
553	S	92.7	Very high	87.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-40.3	177.5	-56.1	0	0	0	0	111.7	W549 L550 L551 I556 S557 A609	W549-S553 PolarHBondContact NE1-OG 2.94Å; W549-S553 WeakPolarHBondContact O-CB 3.41Å; W549-S553 PolarHBondContact O-N 2.79Å; W549-S553 PolarHBondContact O-OG 3.41Å; L550-S553 PolarHBondContact O-N 3.43Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.34Å; S553-I556 PolarHBondContact O-N 3.49Å; S553-S557 WeakPolarHBondContact O-CB 3.4Å; S553-S557 PolarHBondContact O-N 3.19Å; S553-A609 WeakPolarHBondContact CA-O 3.21Å; S553-A609 PolarHBondContact OG-O 3.11Å
554	Q	91.8	Very high	85.7	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-70.5	-35.2	175.2	-64.7	-28.2	-68.3	0	0	112.9	I515 V517 I522 L550 L551 G552 I556 S557 A558 Q656	I515-Q554 HydrophobicContact CB-CG 4.29Å; I515-Q554 HydrophobicContact CD1-CB 4.48Å; I515-Q554 HydrophobicContact CD1-CG 3.94Å; I515-Q554 HydrophobicContact CG1-CB 4.5Å; I515-Q554 HydrophobicContact CG1-CG 3.67Å; I515-Q554 HydrophobicContact CG2-CG 3.94Å; V517-Q554 HydrophobicContact CG2-CB 4.04Å; V517-Q554 WeakPolarHBondContact CG2-O 3.38Å; I522-Q554 HydrophobicContact CD1-CB 3.96Å; I522-Q554 HydrophobicContact CG1-CB 4.26Å; I522-Q554 HydrophobicContact CG2-CB 4.1Å; I522-Q554 HydrophobicContact CG2-CG 4.48Å; L550-Q554 PolarHBondContact O-N 3.33Å; L551-Q554 PolarHBondContact O-N 3.36Å; G552-Q554 VanDerWaalsContact C-N 3.33Å; G552-Q554 PolarHBondContact O-N 3.06Å; Q554-I556 VanDerWaalsContact C-N 3.33Å; Q554-S557 PolarHBondContact O-N 3.46Å; Q554-A558 VanDerWaalsContact O-CB 3.29Å; Q554-A558 WeakPolarHBondContact O-CB 3.41Å; Q554-A558 PolarHBondContact O-N 2.93Å; Q554-Q656 VanDerWaalsContact CD-NE2 3.33Å
555	I	94.2	Very high	83.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-47	173.3	-67	167.7	0	0	0	109.8	F418 M421 L425 I450 I522 L551 G552 A558 V559 L616	F418-I555 HydrophobicContact CD2-CD1 3.95Å; F418-I555 HydrophobicContact CD2-CG1 4.26Å; F418-I555 HydrophobicContact CE2-CD1 4.19Å; F418-I555 HydrophobicContact CE2-CG1 4.08Å; M421-I555 HydrophobicContact CB-CD1 3.83Å; M421-I555 HydrophobicContact CE-CD1 4.47Å; L425-I555 HydrophobicContact CD2-CG2 3.55Å; I450-I555 HydrophobicContact CD1-CG2 4.26Å; I522-I555 HydrophobicContact CD1-CB 4.39Å; I522-I555 HydrophobicContact CD1-CG1 3.53Å; L551-I555 HydrophobicContact CG-CD1 4.28Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.35Å; G552-I555 PolarHBondContact O-N 3.19Å; I555-A558 PolarHBondContact O-N 3.37Å; I555-V559 WeakPolarHBondContact O-CG2 3.23Å; I555-V559 PolarHBondContact O-N 3.37Å; I555-L616 HydrophobicContact CB-CD2 4.45Å; I555-L616 HydrophobicContact CD1-CD2 4.48Å; I555-L616 HydrophobicContact CG2-CD2 4.16Å
556	I	91.7	Very high	81.6	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-46.4	178.1	-63.4	-62	0	0	0	111.2	L425 G552 S553 Q554 A558 V559 L560 F583 A609 L616 L700	L425-I556 HydrophobicContact CD1-CD1 3.91Å; L425-I556 HydrophobicContact CD2-CD1 4.05Å; G552-I556 WeakPolarHBondContact O-CG1 3.32Å; G552-I556 PolarHBondContact O-N 3.38Å; S553-I556 PolarHBondContact O-N 3.49Å; Q554-I556 VanDerWaalsContact C-N 3.33Å; I556-A558 VanDerWaalsContact C-N 3.28Å; I556-A558 PolarHBondContact O-N 3.02Å; I556-V559 PolarHBondContact O-N 3.11Å; I556-V559 VanDerWaalsContact O-N 3.08Å; I556-L560 HydrophobicContact CG2-CD1 3.96Å; I556-L560 HydrophobicContact CG2-CG 4.31Å; I556-L560 WeakPolarHBondContact O-CG 3.23Å; I556-L560 PolarHBondContact O-N 2.92Å; I556-F583 HydrophobicContact CG2-CE1 4.15Å; I556-A609 HydrophobicContact CB-CB 4.45Å; I556-A609 HydrophobicContact CG2-CB 4.23Å; I556-L616 HydrophobicContact CD1-CD2 4.45Å; I556-L700 HydrophobicContact CD1-CD2 4.1Å
557	S	87.6	Confident	79.4	Confident	19 Å²	19	25.4 Å²	25.4	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-39.7	176.5	179	0	0	0	0	112.2	S553 Q554 V559 L560 N561	S553-S557 WeakPolarHBondContact O-CB 3.4Å; S553-S557 PolarHBondContact O-N 3.19Å; Q554-S557 PolarHBondContact O-N 3.46Å; S557-V559 VanDerWaalsContact C-N 3.29Å; S557-V559 PolarHBondContact O-N 3.38Å; S557-L560 PolarHBondContact O-N 3.21Å; S557-N561 WeakPolarHBondContact O-CB 3.41Å; S557-N561 PolarHBondContact O-N 2.89Å; S557-N561 PolarHBondContact OG-ND2 2.84Å
558	A	87.9	Confident	77.2	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-29.4	176.8	0	0	0	0	0	113.6	I450 V517 Q554 I555 I556	I450-A558 HydrophobicContact CD1-CB 3.72Å; I450-A558 HydrophobicContact CG1-CB 4.06Å; I450-A558 HydrophobicContact CG2-CB 4.47Å; V517-A558 HydrophobicContact CB-CB 4.41Å; V517-A558 HydrophobicContact CG1-CB 3.62Å; V517-A558 HydrophobicContact CG2-CB 3.86Å; Q554-A558 VanDerWaalsContact O-CB 3.29Å; Q554-A558 WeakPolarHBondContact O-CB 3.41Å; Q554-A558 PolarHBondContact O-N 2.93Å; I555-A558 PolarHBondContact O-N 3.37Å; I556-A558 VanDerWaalsContact C-N 3.28Å; I556-A558 PolarHBondContact O-N 3.02Å
559	V	86.5	Confident	74.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.9	-46.5	172.8	177.6	0	0	0	0	110.6	L425 T446 V447 I450 I555 I556 S557 N561 G562 L565 F583	L425-V559 HydrophobicContact CD2-CG2 4.24Å; T446-V559 HydrophobicContact CG2-CG2 4.44Å; V447-V559 HydrophobicContact CG2-CG2 3.52Å; I450-V559 HydrophobicContact CD1-CG2 3.84Å; I555-V559 WeakPolarHBondContact O-CG2 3.23Å; I555-V559 PolarHBondContact O-N 3.37Å; I556-V559 PolarHBondContact O-N 3.11Å; I556-V559 VanDerWaalsContact O-N 3.08Å; S557-V559 VanDerWaalsContact C-N 3.29Å; S557-V559 PolarHBondContact O-N 3.38Å; V559-N561 VanDerWaalsContact C-N 3.35Å; V559-N561 PolarHBondContact O-N 3.49Å; V559-G562 PolarHBondContact O-N 3.37Å; V559-L565 HydrophobicContact CG1-CD1 3.84Å; V559-L565 VanDerWaalsContact O-CD1 3.25Å; V559-L565 WeakPolarHBondContact O-CD1 3.4Å; V559-F583 HydrophobicContact CB-CZ 4.4Å; V559-F583 HydrophobicContact CG1-CE2 3.8Å; V559-F583 HydrophobicContact CG1-CZ 3.73Å
560	L	77.6	Confident	72.8	Confident	4 Å²	4	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-41.4	179.4	-71.6	173.5	0	0	0	112.6	I556 S557 G562 T569 F583	I556-L560 HydrophobicContact CG2-CD1 3.96Å; I556-L560 HydrophobicContact CG2-CG 4.31Å; I556-L560 WeakPolarHBondContact O-CG 3.23Å; I556-L560 PolarHBondContact O-N 2.92Å; S557-L560 PolarHBondContact O-N 3.21Å; L560-G562 VanDerWaalsContact C-N 3.26Å; L560-G562 PolarHBondContact O-N 2.92Å; L560-T569 HydrophobicContact CD2-CG2 3.94Å; L560-F583 HydrophobicContact CD2-CB 3.73Å; L560-F583 HydrophobicContact CD2-CD1 3.41Å; L560-F583 VanDerWaalsContact CD2-CD1 3.41Å; L560-F583 HydrophobicContact CD2-CE1 4.11Å; L560-F583 HydrophobicContact CD2-CG 3.66Å; L560-F583 HydrophobicContact CG-CD1 4.14Å; L560-F583 HydrophobicContact CG-CE1 4.41Å
561	N	69.8	Low	70.6	Confident	77 Å²	77	39.5 Å²	39.5	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4.1	-177.3	-70.1	-14.4	0	0	0	114.3	S557 V559 E563	S557-N561 WeakPolarHBondContact O-CB 3.41Å; S557-N561 PolarHBondContact O-N 2.89Å; S557-N561 PolarHBondContact OG-ND2 2.84Å; V559-N561 VanDerWaalsContact C-N 3.35Å; V559-N561 PolarHBondContact O-N 3.49Å; N561-E563 PolarHBondContact O-N 3.42Å
562	G	60.5	Low	68.3	Low	3 Å²	3	42 Å²	42	3%	0.031	22%	0.215	C	C	.	.			trans	-64.5	132.1	173.7	0	0	0	0	0	110.4	V559 L560 E564 L565 Q566	V559-G562 PolarHBondContact O-N 3.37Å; L560-G562 VanDerWaalsContact C-N 3.26Å; L560-G562 PolarHBondContact O-N 2.92Å; G562-E564 PolarHBondContact O-N 3.24Å; G562-L565 CarbonylContact O-C 3.58Å; G562-L565 WeakPolarHBondContact O-CA 3.45Å; G562-L565 PolarHBondContact O-N 3.36Å; G562-Q566 PolarHBondContact O-N 2.98Å
563	E	55	Low	66.1	Low	163 Å²	163	48.1 Å²	48.1	76%	0.762	26%	0.255	S	S	*	.	H	α-helix	trans	-49.3	-32.2	175.1	-66.1	-179.5	170.6	0	0	112.5	N561 L565	N561-E563 PolarHBondContact O-N 3.42Å; E563-L565 VanDerWaalsContact C-N 3.28Å; E563-L565 PolarHBondContact O-N 3.07Å
564	E	52.1	Low	64.2	Low	73 Å²	73	54.9 Å²	54.9	34%	0.341	29%	0.286	S	S	.	.	H	α-helix	trans	-67.4	-23.6	178.6	-64.5	167.3	-141.5	0	0	113.8	K442 R520 G562	K442-E564 HydrophobicContact CD-CB 4.47Å; R520-E564 IonicContact CZ-OE1 2.63Å; R520-E564 IonicContact NH2-OE1 2.91Å; R520-E564 PolarHBondContact NH2-OE1 3.43Å; G562-E564 PolarHBondContact O-N 3.24Å
565	L	53	Low	62.7	Low	2 Å²	2	57 Å²	57	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-110.1	-18.9	178.7	-83.9	147.9	0	0	0	112.6	A443 V559 G562 E563 S567 Q568 T569	A443-L565 HydrophobicContact CB-CD1 4.36Å; V559-L565 HydrophobicContact CG1-CD1 3.84Å; V559-L565 VanDerWaalsContact O-CD1 3.25Å; V559-L565 WeakPolarHBondContact O-CD1 3.4Å; G562-L565 CarbonylContact O-C 3.58Å; G562-L565 WeakPolarHBondContact O-CA 3.45Å; G562-L565 PolarHBondContact O-N 3.36Å; E563-L565 VanDerWaalsContact C-N 3.28Å; E563-L565 PolarHBondContact O-N 3.07Å; L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 2.87Å; L565-Q568 CarbonylContact O-C 3.52Å; L565-Q568 WeakPolarHBondContact O-CA 3.49Å; L565-Q568 WeakPolarHBondContact O-CB 3.45Å; L565-Q568 PolarHBondContact O-N 3.16Å; L565-T569 PolarHBondContact O-N 3.24Å
566	Q	51.2	Low	60.8	Low	99 Å²	99	62.5 Å²	62.5	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-55.2	-42.7	-178.3	-91.1	-171.4	-16.4	0	0	113.3	G562 Q568 T569 E570	G562-Q566 PolarHBondContact O-N 2.98Å; Q566-Q568 PolarHBondContact O-N 2.85Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.38Å; Q566-T569 PolarHBondContact O-N 3.08Å; Q566-T569 PolarHBondContact O-OG1 3.45Å; Q566-E570 PolarHBondContact O-N 3.28Å; Q566-E570 VanDerWaalsContact O-N 3.11Å
567	S	48.2	Very low	58.8	Low	85 Å²	85	68.1 Å²	68.1	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-65.3	-10.9	176.7	69.1	0	0	0	0	113.5	L565	L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 2.87Å
568	Q	47.8	Very low	56.9	Low	62 Å²	62	73 Å²	73	29%	0.29	39%	0.392	S	S	.	.	H	α-helix	trans	-112.4	-17.4	-179.2	-55.5	-173	-14.4	0	0	112.8	D439 L565 Q566	D439-Q568 PolarHBondContact OD1-NE2 3.37Å; D439-Q568 PolarHBondContact OD2-NE2 3.42Å; L565-Q568 CarbonylContact O-C 3.52Å; L565-Q568 WeakPolarHBondContact O-CA 3.49Å; L565-Q568 WeakPolarHBondContact O-CB 3.45Å; L565-Q568 PolarHBondContact O-N 3.16Å; Q566-Q568 PolarHBondContact O-N 2.85Å
569	T	47.9	Very low	55	Low	14 Å²	14	76.5 Å²	76.5	9%	0.086	42%	0.421	C	S	.	.	H	α-helix	trans	-88.7	-11.7	169.5	60.1	0	0	0	0	112.4	L560 L565 Q566 Y571	L560-T569 HydrophobicContact CD2-CG2 3.94Å; L565-T569 PolarHBondContact O-N 3.24Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.38Å; Q566-T569 PolarHBondContact O-N 3.08Å; Q566-T569 PolarHBondContact O-OG1 3.45Å; T569-Y571 PolarHBondContact O-N 3.46Å
570	E	48.3	Very low	53.9	Low	150 Å²	150	78.7 Å²	78.7	70%	0.701	44%	0.436	S	S	*	.	S	Bend	trans	-51.4	110.9	170.1	-88.5	-178.5	-173.3	0	0	110.2	Q566 P572	Q566-E570 PolarHBondContact O-N 3.28Å; Q566-E570 VanDerWaalsContact O-N 3.11Å; E570-P572 WeakPolarHBondContact O-CD 3.5Å
571	Y	47.5	Very low	53.7	Low	72 Å²	72	78.6 Å²	78.6	28%	0.282	44%	0.436	S	S	.	.			trans	-48.9	107.3	-178.6	-167	-82.2	0	0	0	110.4	T569 P573 S591 Q600	T569-Y571 PolarHBondContact O-N 3.46Å; Y571-P573 WeakPolarHBondContact O-CD 3.43Å; Y571-S591 VanDerWaalsContact OH-CB 3.31Å; Y571-S591 WeakPolarHBondContact OH-CB 3.42Å; Y571-Q600 HydrophobicContact CE2-CB 4.36Å; Y571-Q600 VanDerWaalsContact CZ-OE1 3.24Å; Y571-Q600 PolarHBondContact OH-OE1 2.93Å
572	P	46.6	Very low	54.2	Low	53 Å²	53	75.6 Å²	75.6	34%	0.344	42%	0.421	S	S	.	.			trans	-70.4	127.1	173.7	28.3	-30.5	0	0	0	106.8	E570 Q574	E570-P572 WeakPolarHBondContact O-CD 3.5Å; P572-Q574 WeakPolarHBondContact CB-O 3.47Å; P572-Q574 CarbonylContact O-C 3.6Å; P572-Q574 PolarHBondContact O-N 3.02Å
573	P	49.2	Very low	55.1	Low	129 Å²	129	75.5 Å²	75.5	84%	0.838	42%	0.419	S	S	*	.	S	Bend	trans	-58.4	-12.7	-177.1	19.2	-30.2	0	0	0	113.6	Y571	Y571-P573 WeakPolarHBondContact O-CD 3.43Å
574	Q	53.2	Low	56.3	Low	141 Å²	141	68.3 Å²	68.3	66%	0.659	39%	0.389	S	S	*	.	S	Bend	trans	-134.7	121.7	163.4	-63.3	175.5	-1.2	0	0	106.6	P572 Q576	P572-Q574 WeakPolarHBondContact CB-O 3.47Å; P572-Q574 CarbonylContact O-C 3.6Å; P572-Q574 PolarHBondContact O-N 3.02Å; Q574-Q576 VanDerWaalsContact C-N 3.33Å; Q574-Q576 VanDerWaalsContact O-CG 3.25Å; Q574-Q576 WeakPolarHBondContact O-CG 3.44Å; Q574-Q576 PolarHBondContact O-N 3.42Å
575	C	60.7	Low	57.7	Low	46 Å²	46	67.3 Å²	67.3	31%	0.311	39%	0.39	S	S	.	.			trans	-54.2	95	172.2	-79.2	0	0	0	0	110.7	C588	C575-C588 VanDerWaalsContact CA-SG 3.54Å; C575-C588 HydrophobicContact CB-CB 3.69Å; C575-C588 WeakPolarHBondContact CB-SG 3.45Å; C575-C588 WeakPolarHBondContact SG-CA 3.45Å; C575-C588 WeakPolarHBondContact SG-CB 3.15Å; C575-C588 CovalentContact SG-SG 2.04Å; C575-C588 PolarHBondContact SG-SG 3.12Å
576	Q	54.9	Low	59.3	Low	117 Å²	117	67.3 Å²	67.3	55%	0.547	39%	0.39	S	S	.	.			trans	-85.5	133.4	-177	-67.9	-128.3	-23.9	0	0	109.5	Q574 T578	Q574-Q576 VanDerWaalsContact C-N 3.33Å; Q574-Q576 VanDerWaalsContact O-CG 3.25Å; Q574-Q576 WeakPolarHBondContact O-CG 3.44Å; Q574-Q576 PolarHBondContact O-N 3.42Å; Q576-T578 PolarHBondContact O-N 3.41Å
577	P	50.2	Low	60.7	Low	118 Å²	118	63.2 Å²	63.2	77%	0.766	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.9	-174.9	-24	33	0	0	0	116.1
578	T	47.5	Very low	62.3	Low	121 Å²	121	60.4 Å²	60.4	74%	0.742	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-7.7	-155.6	48.4	0	0	0	0	115.8	Q576	Q576-T578 PolarHBondContact O-N 3.41Å
579	A	48.2	Very low	64.1	Low	78 Å²	78	58 Å²	58	65%	0.645	34%	0.342	S	S	*	.	S	Bend	trans	-128.8	20.3	-175.3	0	0	0	0	0	114.9	T581	A579-T581 PolarHBondContact O-N 3.31Å
580	S	62.3	Low	65.9	Low	46 Å²	46	57.4 Å²	57.4	32%	0.322	34%	0.338	S	S	.	.			trans	-84.4	114.8	-166.4	66.3	0	0	0	0	114.1	S585	S580-S585 WeakPolarHBondContact CB-OG 3.4Å; S580-S585 PolarHBondContact OG-OG 3.48Å
581	T	74.2	Confident	67.3	Low	2 Å²	2	50.9 Å²	50.9	1%	0.012	31%	0.309	C	S	.	.			trans	-62.7	161.5	154.4	58.9	0	0	0	0	110.1	W434 A579 F583 G584 S585	W434-T581 HydrophobicContact CE3-CG2 4.29Å; W434-T581 HydrophobicContact CZ3-CG2 4.05Å; A579-T581 PolarHBondContact O-N 3.31Å; T581-F583 PolarHBondContact O-N 2.8Å; T581-F583 VanDerWaalsContact O-N 3.15Å; T581-G584 PolarHBondContact O-N 3.15Å; T581-G584 PolarHBondContact OG1-N 2.85Å; T581-G584 VanDerWaalsContact OG1-N 3.1Å; T581-S585 PolarHBondContact O-N 3.37Å; T581-S585 PolarHBondContact O-OG 3.39Å
582	P	79.9	Confident	68.8	Low	14 Å²	14	53 Å²	53	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-51.4	-38.3	173.9	-29.2	36.9	0	0	0	113.1	R432 W434 Q586 L700	R432-P582 HydrophobicContact CB-CG 4.26Å; W434-P582 HydrophobicContact CD2-CG 3.93Å; W434-P582 HydrophobicContact CE3-CG 4.38Å; W434-P582 HydrophobicContact CG-CG 4.34Å; W434-P582 HydrophobicContact CH2-CG 4.43Å; W434-P582 HydrophobicContact CZ2-CG 4.01Å; P582-Q586 PolarHBondContact O-N 3.26Å; P582-Q586 VanDerWaalsContact O-N 3.1Å; P582-L700 HydrophobicContact CB-CD1 3.66Å
583	F	80	Confident	70.3	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-48.7	174.5	-67.6	-74	0	0	0	112.4	L429 W434 I556 V559 L560 T581 S585 Q586 L587 L700	L429-F583 HydrophobicContact CD2-CE2 3.99Å; L429-F583 HydrophobicContact CD2-CZ 4.08Å; W434-F583 HydrophobicContact CH2-CD2 4.35Å; W434-F583 HydrophobicContact CH2-CE2 4.27Å; I556-F583 HydrophobicContact CG2-CE1 4.15Å; V559-F583 HydrophobicContact CB-CZ 4.4Å; V559-F583 HydrophobicContact CG1-CE2 3.8Å; V559-F583 HydrophobicContact CG1-CZ 3.73Å; L560-F583 HydrophobicContact CD2-CB 3.73Å; L560-F583 HydrophobicContact CD2-CD1 3.41Å; L560-F583 VanDerWaalsContact CD2-CD1 3.41Å; L560-F583 HydrophobicContact CD2-CE1 4.11Å; L560-F583 HydrophobicContact CD2-CG 3.66Å; L560-F583 HydrophobicContact CG-CD1 4.14Å; L560-F583 HydrophobicContact CG-CE1 4.41Å; T581-F583 PolarHBondContact O-N 2.8Å; T581-F583 VanDerWaalsContact O-N 3.15Å; F583-S585 VanDerWaalsContact C-N 3.3Å; F583-S585 PolarHBondContact O-N 2.84Å; F583-Q586 PolarHBondContact O-N 2.96Å; F583-Q586 VanDerWaalsContact O-N 3.14Å; F583-L587 WeakPolarHBondContact O-CG 3.45Å; F583-L587 PolarHBondContact O-N 2.97Å; F583-L700 HydrophobicContact CD1-CD1 3.49Å; F583-L700 VanDerWaalsContact CD1-CD1 3.49Å; F583-L700 HydrophobicContact CD1-CD2 4.12Å; F583-L700 HydrophobicContact CD1-CG 4.42Å; F583-L700 HydrophobicContact CD2-CD1 4.13Å; F583-L700 HydrophobicContact CE1-CD1 3.6Å; F583-L700 HydrophobicContact CE1-CD2 3.39Å; F583-L700 HydrophobicContact CE1-CG 4.13Å; F583-L700 HydrophobicContact CE2-CD1 4.2Å; F583-L700 HydrophobicContact CG-CD1 3.79Å; F583-L700 HydrophobicContact CZ-CD1 3.96Å; F583-L700 HydrophobicContact CZ-CD2 3.68Å; F583-L700 HydrophobicContact CZ-CG 4.47Å
584	G	79.3	Confident	71.3	Confident	12 Å²	12	50.1 Å²	50.1	12%	0.124	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-40.4	176.7	0	0	0	0	0	112.5	T581 Q586 L587 C588	T581-G584 PolarHBondContact O-N 3.15Å; T581-G584 PolarHBondContact OG1-N 2.85Å; T581-G584 VanDerWaalsContact OG1-N 3.1Å; G584-Q586 PolarHBondContact O-N 3.03Å; G584-L587 PolarHBondContact O-N 3.28Å; G584-C588 WeakPolarHBondContact O-CB 3.12Å; G584-C588 PolarHBondContact O-N 3.28Å
585	S	81.9	Confident	71.7	Confident	52 Å²	52	49 Å²	49	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.8	-53.5	0	0	0	0	112.3	S580 T581 F583 C589	S580-S585 WeakPolarHBondContact CB-OG 3.4Å; S580-S585 PolarHBondContact OG-OG 3.48Å; T581-S585 PolarHBondContact O-N 3.37Å; T581-S585 PolarHBondContact O-OG 3.39Å; F583-S585 VanDerWaalsContact C-N 3.3Å; F583-S585 PolarHBondContact O-N 2.84Å; S585-C589 WeakPolarHBondContact O-CB 3.14Å; S585-C589 PolarHBondContact O-N 2.97Å
586	Q	85.5	Confident	71.3	Confident	2 Å²	2	51 Å²	51	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-47.7	178	-174.1	-178.4	25.7	0	0	111.6	P582 F583 G584 C588 C589 L590 S608 S612 C698	P582-Q586 PolarHBondContact O-N 3.26Å; P582-Q586 VanDerWaalsContact O-N 3.1Å; F583-Q586 PolarHBondContact O-N 2.96Å; F583-Q586 VanDerWaalsContact O-N 3.14Å; G584-Q586 PolarHBondContact O-N 3.03Å; Q586-C588 VanDerWaalsContact C-N 3.26Å; Q586-C588 PolarHBondContact O-N 2.84Å; Q586-C589 WeakPolarHBondContact O-CB 3.48Å; Q586-C589 PolarHBondContact O-N 3.24Å; Q586-C589 VanDerWaalsContact O-N 3.09Å; Q586-L590 HydrophobicContact CG-CD1 4.15Å; Q586-L590 HydrophobicContact CG-CG 4.48Å; Q586-L590 WeakPolarHBondContact O-CG 3.1Å; Q586-L590 PolarHBondContact O-N 2.99Å; Q586-S608 PolarHBondContact OE1-OG 3.28Å; Q586-S608 VanDerWaalsContact OE1-OG 3.14Å; Q586-S612 VanDerWaalsContact CD-OG 3.31Å; Q586-S612 PolarHBondContact NE2-OG 3.32Å; Q586-S612 PolarHBondContact OE1-OG 3.36Å; Q586-C698 PolarHBondContact NE2-O 3.32Å; Q586-C698 VanDerWaalsContact NE2-O 3.09Å
587	L	82.1	Confident	71.1	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-43.1	177.8	-67.4	171.8	0	0	0	110.8	F583 G584 L590 S591 V604 E605	F583-L587 WeakPolarHBondContact O-CG 3.45Å; F583-L587 PolarHBondContact O-N 2.97Å; G584-L587 PolarHBondContact O-N 3.28Å; L587-L590 PolarHBondContact O-N 3.43Å; L587-S591 PolarHBondContact O-N 3.04Å; L587-S591 PolarHBondContact O-OG 3.33Å; L587-V604 HydrophobicContact CB-CG1 4.29Å; L587-V604 HydrophobicContact CD2-CG1 3.74Å; L587-E605 HydrophobicContact CD2-CG 4.2Å
588	C	81.6	Confident	71.1	Confident	25 Å²	25	51.1 Å²	51.1	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-39.2	174.7	-87.3	0	0	0	0	114.3	C575 G584 Q586 L590 S591 E592	C575-C588 VanDerWaalsContact CA-SG 3.54Å; C575-C588 HydrophobicContact CB-CB 3.69Å; C575-C588 WeakPolarHBondContact CB-SG 3.45Å; C575-C588 WeakPolarHBondContact SG-CA 3.45Å; C575-C588 WeakPolarHBondContact SG-CB 3.15Å; C575-C588 CovalentContact SG-SG 2.04Å; C575-C588 PolarHBondContact SG-SG 3.12Å; G584-C588 WeakPolarHBondContact O-CB 3.12Å; G584-C588 PolarHBondContact O-N 3.28Å; Q586-C588 VanDerWaalsContact C-N 3.26Å; Q586-C588 PolarHBondContact O-N 2.84Å; C588-L590 VanDerWaalsContact C-N 3.34Å; C588-S591 PolarHBondContact O-OG 2.9Å; C588-E592 PolarHBondContact O-N 3.38Å
589	C	86.1	Confident	71.3	Confident	13 Å²	13	50.2 Å²	50.2	9%	0.088	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-41.1	174	-177	0	0	0	0	111.6	S585 Q586 Q593 C698	S585-C589 WeakPolarHBondContact O-CB 3.14Å; S585-C589 PolarHBondContact O-N 2.97Å; Q586-C589 WeakPolarHBondContact O-CB 3.48Å; Q586-C589 PolarHBondContact O-N 3.24Å; Q586-C589 VanDerWaalsContact O-N 3.09Å; C589-Q593 WeakPolarHBondContact O-CG 3.43Å; C589-C698 HydrophobicContact CB-CB 3.59Å; C589-C698 WeakPolarHBondContact CB-SG 3.03Å; C589-C698 PolarHBondContact O-SG 3.09Å; C589-C698 WeakPolarHBondContact SG-CA 3.37Å; C589-C698 WeakPolarHBondContact SG-CB 3.25Å; C589-C698 CovalentContact SG-SG 2.04Å; C589-C698 PolarHBondContact SG-SG 3.07Å
590	L	84.6	Confident	72	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-39.3	179.9	-69.9	172.3	0	0	0	112.1	Q586 L587 C588 E592 Q593 I594 V604 L607 I611 C698	Q586-L590 HydrophobicContact CG-CD1 4.15Å; Q586-L590 HydrophobicContact CG-CG 4.48Å; Q586-L590 WeakPolarHBondContact O-CG 3.1Å; Q586-L590 PolarHBondContact O-N 2.99Å; L587-L590 PolarHBondContact O-N 3.43Å; C588-L590 VanDerWaalsContact C-N 3.34Å; L590-E592 VanDerWaalsContact C-N 3.29Å; L590-E592 PolarHBondContact O-N 2.92Å; L590-Q593 PolarHBondContact O-N 2.88Å; L590-I594 WeakPolarHBondContact O-CG1 3.22Å; L590-I594 PolarHBondContact O-N 3.42Å; L590-I594 VanDerWaalsContact O-N 3.08Å; L590-V604 HydrophobicContact CB-CG1 4.07Å; L590-L607 HydrophobicContact CD1-CG 4.49Å; L590-L607 HydrophobicContact CD2-CD2 4.04Å; L590-L607 HydrophobicContact CD2-CG 4.49Å; L590-I611 HydrophobicContact CD1-CD1 4.08Å; L590-I611 HydrophobicContact CD2-CD1 3.53Å; L590-I611 HydrophobicContact CG-CD1 4.45Å; L590-C698 HydrophobicContact CD2-CB 3.56Å; L590-C698 HydrophobicContact CG-CB 3.8Å
591	S	78.9	Confident	72.1	Confident	13 Å²	13	50.5 Å²	50.5	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-33	178.3	66.1	0	0	0	0	113	Y571 L587 C588 Q593	Y571-S591 VanDerWaalsContact OH-CB 3.31Å; Y571-S591 WeakPolarHBondContact OH-CB 3.42Å; L587-S591 PolarHBondContact O-N 3.04Å; L587-S591 PolarHBondContact O-OG 3.33Å; C588-S591 PolarHBondContact O-OG 2.9Å; S591-Q593 PolarHBondContact O-N 3.33Å
592	E	78.6	Confident	71.7	Confident	117 Å²	117	56.6 Å²	56.6	55%	0.547	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.5	171.9	-72.4	177.5	-171.4	0	0	113.3	C588 L590 R696	C588-E592 PolarHBondContact O-N 3.38Å; L590-E592 VanDerWaalsContact C-N 3.29Å; L590-E592 PolarHBondContact O-N 2.92Å; E592-R696 IonicContact OE1-NH2 2.67Å; E592-R696 IonicContact OE2-CZ 3.99Å; E592-R696 IonicContact OE2-NH1 3Å; E592-R696 PolarHBondContact OE2-NH1 3.21Å; E592-R696 IonicContact OE2-NH2 3.21Å; E592-R696 PolarHBondContact OE2-NH2 3.49Å
593	Q	77.6	Confident	71.4	Confident	72 Å²	72	57.7 Å²	57.7	34%	0.336	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-17.1	-177.8	-66.1	-168.6	8	0	0	114.1	C589 L590 S591 H676 R696 C698	C589-Q593 WeakPolarHBondContact O-CG 3.43Å; L590-Q593 PolarHBondContact O-N 2.88Å; S591-Q593 PolarHBondContact O-N 3.33Å; Q593-H676 PolarHBondContact OE1-CE1 2.95Å; Q593-H676 VanDerWaalsContact OE1-CE1 3.22Å; Q593-R696 PolarHBondContact NE2-O 3.32Å; Q593-C698 VanDerWaalsContact CD-SG 3.57Å; Q593-C698 PolarHBondContact NE2-SG 2.76Å; Q593-C698 VanDerWaalsContact NE2-SG 3.36Å
594	I	70.8	Confident	71.3	Confident	48 Å²	48	57.9 Å²	57.9	25%	0.246	31%	0.314	C	S	.	.	S	Bend	trans	-94.7	137.6	178.5	-63.3	169.3	0	0	0	109.6	L590 V604 L607	L590-I594 WeakPolarHBondContact O-CG1 3.22Å; L590-I594 PolarHBondContact O-N 3.42Å; L590-I594 VanDerWaalsContact O-N 3.08Å; I594-V604 HydrophobicContact CD1-CG2 3.85Å; I594-L607 HydrophobicContact CD1-CD2 3.77Å; I594-L607 HydrophobicContact CG1-CD2 4.42Å
595	N	60.3	Low	71.2	Confident	117 Å²	117	60.1 Å²	60.1	63%	0.626	32%	0.321	S	S	*	.			trans	-64.1	142.9	179.6	-163	15	0	0	0	112	E597	N595-E597 VanDerWaalsContact C-N 3.31Å; N595-E597 PolarHBondContact O-N 2.87Å; N595-E597 VanDerWaalsContact O-N 3.14Å
596	S	52.6	Low	71.1	Confident	90 Å²	90	58.6 Å²	58.6	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	2.7	-162.7	55.4	0	0	0	0	117.1
597	E	50.3	Low	71.1	Confident	169 Å²	169	58.9 Å²	58.9	79%	0.79	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	4.5	-168	-67.4	-176.5	167.2	0	0	115.3	N595	N595-E597 VanDerWaalsContact C-N 3.31Å; N595-E597 PolarHBondContact O-N 2.87Å; N595-E597 VanDerWaalsContact O-N 3.14Å
598	I	51.9	Low	71.3	Confident	68 Å²	68	58.2 Å²	58.2	35%	0.349	31%	0.306	S	S	.	.	S	Bend	trans	-123.2	143.7	-172.6	-57.4	170.7	0	0	0	110.1	Q600 I603 Y666	I598-Q600 WeakPolarHBondContact O-CG 3.19Å; I598-Q600 PolarHBondContact O-N 3.3Å; I598-I603 HydrophobicContact CB-CD1 4.44Å; I598-I603 HydrophobicContact CG2-CD1 3.21Å; I598-Y666 HydrophobicContact CB-CE1 4.5Å; I598-Y666 HydrophobicContact CD1-CE1 4.16Å; I598-Y666 HydrophobicContact CG1-CE1 4.44Å; I598-Y666 HydrophobicContact CG2-CD1 4.19Å; I598-Y666 HydrophobicContact CG2-CE1 3.28Å
599	P	51.5	Low	71.6	Confident	102 Å²	102	57.1 Å²	57.1	66%	0.662	30%	0.299	S	S	*	.			trans	-51.3	108.3	171.8	-23.8	32.9	0	0	0	111.1
600	Q	62	Low	71.8	Confident	44 Å²	44	56.5 Å²	56.5	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-78.9	-30.7	-159	-64.1	-170.9	-18.8	0	0	113.8	Y571 I598 V604	Y571-Q600 HydrophobicContact CE2-CB 4.36Å; Y571-Q600 VanDerWaalsContact CZ-OE1 3.24Å; Y571-Q600 PolarHBondContact OH-OE1 2.93Å; I598-Q600 WeakPolarHBondContact O-CG 3.19Å; I598-Q600 PolarHBondContact O-N 3.3Å; Q600-V604 HydrophobicContact CB-CG2 4.24Å; Q600-V604 WeakPolarHBondContact O-CB 3.48Å; Q600-V604 WeakPolarHBondContact O-CG2 3.29Å; Q600-V604 PolarHBondContact O-N 3.33Å
601	N	65.4	Low	72.2	Confident	85 Å²	85	56.5 Å²	56.5	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-57.5	-162.4	-63.4	9.9	0	0	0	113.1	I603 V604 E605	N601-I603 VanDerWaalsContact C-N 3.29Å; N601-I603 PolarHBondContact O-N 2.87Å; N601-V604 PolarHBondContact O-N 3.18Å; N601-E605 WeakPolarHBondContact O-CB 3.33Å; N601-E605 WeakPolarHBondContact O-CG 3.45Å; N601-E605 PolarHBondContact O-N 2.85Å
602	E	66.2	Low	72.9	Confident	130 Å²	130	56.1 Å²	56.1	61%	0.607	29%	0.292	S	S	*	.	H	α-helix	trans	-63.2	-37.3	-176.4	-169.7	176.9	176.3	0	0	111.7	Q606	E602-Q606 VanDerWaalsContact O-CB 3.23Å; E602-Q606 WeakPolarHBondContact O-CB 3.45Å; E602-Q606 PolarHBondContact O-N 3.39Å
603	I	72.2	Confident	73.7	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.195	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-44.1	-178.6	-63.5	168.8	0	0	0	111.5	I598 N601 E605 Q606 L607 Y666	I598-I603 HydrophobicContact CB-CD1 4.44Å; I598-I603 HydrophobicContact CG2-CD1 3.21Å; N601-I603 VanDerWaalsContact C-N 3.29Å; N601-I603 PolarHBondContact O-N 2.87Å; I603-E605 VanDerWaalsContact C-N 3.34Å; I603-Q606 PolarHBondContact O-N 3.31Å; I603-L607 WeakPolarHBondContact O-CB 3.47Å; I603-L607 PolarHBondContact O-N 3.01Å; I603-Y666 HydrophobicContact CD1-CD1 3.29Å; I603-Y666 HydrophobicContact CD1-CD2 4.43Å; I603-Y666 HydrophobicContact CD1-CE1 3.51Å; I603-Y666 HydrophobicContact CD1-CG 3.84Å; I603-Y666 HydrophobicContact CG1-CD1 4.16Å; I603-Y666 HydrophobicContact CG1-CG 4.31Å
604	V	78	Confident	74.5	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.5	173.4	0	0	0	0	110	L587 L590 I594 Q600 N601 L607 S608	L587-V604 HydrophobicContact CB-CG1 4.29Å; L587-V604 HydrophobicContact CD2-CG1 3.74Å; L590-V604 HydrophobicContact CB-CG1 4.07Å; I594-V604 HydrophobicContact CD1-CG2 3.85Å; Q600-V604 HydrophobicContact CB-CG2 4.24Å; Q600-V604 WeakPolarHBondContact O-CB 3.48Å; Q600-V604 WeakPolarHBondContact O-CG2 3.29Å; Q600-V604 PolarHBondContact O-N 3.33Å; N601-V604 PolarHBondContact O-N 3.18Å; V604-L607 PolarHBondContact O-N 2.78Å; V604-S608 WeakPolarHBondContact O-CB 3.44Å; V604-S608 PolarHBondContact O-N 2.91Å
605	E	78.2	Confident	75.7	Confident	59 Å²	59	46.5 Å²	46.5	28%	0.276	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-44.2	175	-74.4	176.5	-177	0	0	111.8	L587 N601 I603 S608 A609	L587-E605 HydrophobicContact CD2-CG 4.2Å; N601-E605 WeakPolarHBondContact O-CB 3.33Å; N601-E605 WeakPolarHBondContact O-CG 3.45Å; N601-E605 PolarHBondContact O-N 2.85Å; I603-E605 VanDerWaalsContact C-N 3.34Å; E605-S608 WeakPolarHBondContact O-CB 3.14Å; E605-S608 PolarHBondContact O-N 3.48Å; E605-A609 WeakPolarHBondContact O-CB 3.08Å; E605-A609 PolarHBondContact O-N 2.7Å
606	Q	79.6	Confident	77.4	Confident	20 Å²	20	41.1 Å²	41.1	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-40.9	179	-160	-172.4	18.6	0	0	112.2	E602 I603 A609 G610 L652 Y653 F668	E602-Q606 VanDerWaalsContact O-CB 3.23Å; E602-Q606 WeakPolarHBondContact O-CB 3.45Å; E602-Q606 PolarHBondContact O-N 3.39Å; I603-Q606 PolarHBondContact O-N 3.31Å; Q606-A609 PolarHBondContact O-N 3.02Å; Q606-G610 PolarHBondContact O-N 3.27Å; Q606-L652 HydrophobicContact CG-CD2 4.03Å; Q606-Y653 VanDerWaalsContact NE2-CA 3.3Å; Q606-F668 HydrophobicContact CG-CE1 3.89Å
607	L	84.5	Confident	79.5	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-42.3	174.4	177.9	63.2	0	0	0	111.2	L590 I594 I603 V604 A609 G610 I611 F668 D672 V673	L590-L607 HydrophobicContact CD1-CG 4.49Å; L590-L607 HydrophobicContact CD2-CD2 4.04Å; L590-L607 HydrophobicContact CD2-CG 4.49Å; I594-L607 HydrophobicContact CD1-CD2 3.77Å; I594-L607 HydrophobicContact CG1-CD2 4.42Å; I603-L607 WeakPolarHBondContact O-CB 3.47Å; I603-L607 PolarHBondContact O-N 3.01Å; V604-L607 PolarHBondContact O-N 2.78Å; L607-A609 PolarHBondContact O-N 3.23Å; L607-G610 PolarHBondContact O-N 2.9Å; L607-G610 VanDerWaalsContact O-N 3.16Å; L607-I611 HydrophobicContact CD1-CD1 3.85Å; L607-I611 HydrophobicContact CD1-CG1 4.05Å; L607-I611 HydrophobicContact CD2-CD1 4.29Å; L607-I611 HydrophobicContact CG-CD1 3.68Å; L607-I611 HydrophobicContact CG-CG1 4.33Å; L607-I611 VanDerWaalsContact O-CG1 3.32Å; L607-I611 WeakPolarHBondContact O-CG1 3.26Å; L607-I611 PolarHBondContact O-N 2.95Å; L607-F668 HydrophobicContact CD1-CB 3.68Å; L607-F668 HydrophobicContact CD1-CD2 4.42Å; L607-F668 HydrophobicContact CD1-CG 3.97Å; L607-D672 HydrophobicContact CD1-CB 4.06Å; L607-V673 HydrophobicContact CD1-CG2 4.33Å
608	S	86.8	Confident	81.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-48.4	174.7	-178.6	0	0	0	0	111.2	Q586 V604 E605 G610 I611 S612	Q586-S608 PolarHBondContact OE1-OG 3.28Å; Q586-S608 VanDerWaalsContact OE1-OG 3.14Å; V604-S608 WeakPolarHBondContact O-CB 3.44Å; V604-S608 PolarHBondContact O-N 2.91Å; E605-S608 WeakPolarHBondContact O-CB 3.14Å; E605-S608 PolarHBondContact O-N 3.48Å; S608-G610 VanDerWaalsContact C-N 3.34Å; S608-G610 PolarHBondContact O-N 3.36Å; S608-I611 PolarHBondContact O-N 2.96Å; S608-S612 VanDerWaalsContact O-CB 3.25Å; S608-S612 WeakPolarHBondContact O-CB 3.48Å; S608-S612 PolarHBondContact O-N 3.39Å; S608-S612 PolarHBondContact O-OG 2.87Å
609	A	88.5	Confident	83.8	Confident	2 Å²	2	28.3 Å²	28.3	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-42.3	174	0	0	0	0	0	111.9	S553 I556 E605 Q606 L607 G613	S553-A609 WeakPolarHBondContact CA-O 3.21Å; S553-A609 PolarHBondContact OG-O 3.11Å; I556-A609 HydrophobicContact CB-CB 4.45Å; I556-A609 HydrophobicContact CG2-CB 4.23Å; E605-A609 WeakPolarHBondContact O-CB 3.08Å; E605-A609 PolarHBondContact O-N 2.7Å; Q606-A609 PolarHBondContact O-N 3.02Å; L607-A609 PolarHBondContact O-N 3.23Å; A609-G613 VanDerWaalsContact O-CA 3.32Å; A609-G613 WeakPolarHBondContact O-CA 3.41Å; A609-G613 PolarHBondContact O-N 2.73Å
610	G	90	Very high	85.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-47	176.9	0	0	0	0	0	113.7	W549 Q606 L607 S608 L614	W549-G610 PolarHBondContact NE1-O 3.02Å; W549-G610 VanDerWaalsContact NE1-O 3.08Å; Q606-G610 PolarHBondContact O-N 3.27Å; L607-G610 PolarHBondContact O-N 2.9Å; L607-G610 VanDerWaalsContact O-N 3.16Å; S608-G610 VanDerWaalsContact C-N 3.34Å; S608-G610 PolarHBondContact O-N 3.36Å; G610-L614 WeakPolarHBondContact O-CB 3.29Å; G610-L614 PolarHBondContact O-N 3.22Å
611	I	92.5	Very high	87.4	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-65.2	-56.1	178.1	-67.8	160.7	0	0	0	110.4	L590 L607 S608 G613 L614 M615 V673 H676	L590-I611 HydrophobicContact CD1-CD1 4.08Å; L590-I611 HydrophobicContact CD2-CD1 3.53Å; L590-I611 HydrophobicContact CG-CD1 4.45Å; L607-I611 HydrophobicContact CD1-CD1 3.85Å; L607-I611 HydrophobicContact CD1-CG1 4.05Å; L607-I611 HydrophobicContact CD2-CD1 4.29Å; L607-I611 HydrophobicContact CG-CD1 3.68Å; L607-I611 HydrophobicContact CG-CG1 4.33Å; L607-I611 VanDerWaalsContact O-CG1 3.32Å; L607-I611 WeakPolarHBondContact O-CG1 3.26Å; L607-I611 PolarHBondContact O-N 2.95Å; S608-I611 PolarHBondContact O-N 2.96Å; I611-G613 VanDerWaalsContact C-N 3.27Å; I611-G613 PolarHBondContact O-N 2.86Å; I611-L614 PolarHBondContact O-N 2.87Å; I611-M615 HydrophobicContact CG2-CE 3.68Å; I611-M615 HydrophobicContact CG2-SD 3.9Å; I611-M615 WeakPolarHBondContact O-CG 3.42Å; I611-M615 PolarHBondContact O-N 3.5Å; I611-V673 HydrophobicContact CG1-CG1 4.31Å; I611-H676 WeakPolarHBondContact CD1-CD2 3.35Å; I611-H676 HydrophobicContact CG2-CB 3.77Å
612	S	93.3	Very high	88.6	Confident	5 Å²	5	21.5 Å²	21.5	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-33.5	-175.9	-65.3	0	0	0	0	111.3	Q586 S608 L616	Q586-S612 VanDerWaalsContact CD-OG 3.31Å; Q586-S612 PolarHBondContact NE2-OG 3.32Å; Q586-S612 PolarHBondContact OE1-OG 3.36Å; S608-S612 VanDerWaalsContact O-CB 3.25Å; S608-S612 WeakPolarHBondContact O-CB 3.48Å; S608-S612 PolarHBondContact O-N 3.39Å; S608-S612 PolarHBondContact O-OG 2.87Å; S612-L616 VanDerWaalsContact O-CB 3.23Å; S612-L616 WeakPolarHBondContact O-CB 3.3Å; S612-L616 PolarHBondContact O-N 3.19Å
613	G	95	Very high	89.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-43.6	173.4	0	0	0	0	0	113.1	A609 I611 L616 S617	A609-G613 VanDerWaalsContact O-CA 3.32Å; A609-G613 WeakPolarHBondContact O-CA 3.41Å; A609-G613 PolarHBondContact O-N 2.73Å; I611-G613 VanDerWaalsContact C-N 3.27Å; I611-G613 PolarHBondContact O-N 2.86Å; G613-L616 PolarHBondContact O-N 2.91Å; G613-S617 WeakPolarHBondContact O-CB 3.33Å; G613-S617 PolarHBondContact O-N 3.14Å
614	L	95.5	Very high	90.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-43.8	176.2	-174.5	66.4	0	0	0	111.1	W549 G610 I611 S617 F618 F638 F642 V673 L674	W549-L614 HydrophobicContact CB-CD1 3.79Å; W549-L614 HydrophobicContact CG-CB 4.37Å; W549-L614 HydrophobicContact CG-CD1 3.95Å; G610-L614 WeakPolarHBondContact O-CB 3.29Å; G610-L614 PolarHBondContact O-N 3.22Å; I611-L614 PolarHBondContact O-N 2.87Å; L614-S617 WeakPolarHBondContact O-CB 3.25Å; L614-S617 PolarHBondContact O-N 3.42Å; L614-F618 WeakPolarHBondContact O-CB 3.35Å; L614-F618 PolarHBondContact O-N 3.34Å; L614-F638 HydrophobicContact CD1-CE1 3.68Å; L614-F638 HydrophobicContact CD1-CZ 3.7Å; L614-F638 HydrophobicContact CG-CE1 4.24Å; L614-F638 HydrophobicContact CG-CZ 4.41Å; L614-F642 HydrophobicContact CD1-CB 4.12Å; L614-F642 HydrophobicContact CD1-CD2 3.7Å; L614-F642 HydrophobicContact CD1-CE2 4.33Å; L614-F642 HydrophobicContact CD1-CG 3.84Å; L614-F642 HydrophobicContact CD2-CD1 4.18Å; L614-F642 HydrophobicContact CD2-CD2 4.32Å; L614-F642 HydrophobicContact CD2-CE1 4.24Å; L614-F642 HydrophobicContact CD2-CE2 4.36Å; L614-F642 HydrophobicContact CD2-CG 4.23Å; L614-F642 HydrophobicContact CD2-CZ 4.32Å; L614-V673 HydrophobicContact CB-CG1 4.02Å; L614-V673 HydrophobicContact CD2-CG1 3.58Å; L614-V673 HydrophobicContact CG-CG1 4.44Å; L614-L674 HydrophobicContact CD2-CD2 3.56Å
615	M	95.3	Very high	90.5	Very high	34 Å²	34	25 Å²	25	17%	0.167	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-45.8	176.9	-71.6	173.7	175.6	0	0	111.6	I611 S617 F618 E619 H676 I699	I611-M615 HydrophobicContact CG2-CE 3.68Å; I611-M615 HydrophobicContact CG2-SD 3.9Å; I611-M615 WeakPolarHBondContact O-CG 3.42Å; I611-M615 PolarHBondContact O-N 3.5Å; M615-S617 VanDerWaalsContact C-N 3.31Å; M615-S617 PolarHBondContact O-N 3.45Å; M615-F618 PolarHBondContact O-N 2.85Å; M615-E619 VanDerWaalsContact O-CB 3.28Å; M615-E619 WeakPolarHBondContact O-CB 3.42Å; M615-E619 VanDerWaalsContact O-CG 3.25Å; M615-E619 WeakPolarHBondContact O-CG 3.21Å; M615-E619 PolarHBondContact O-N 3.01Å; M615-H676 HydrophobicContact CE-CB 3.85Å; M615-H676 WeakPolarHBondContact CE-O 3.28Å; M615-I699 HydrophobicContact CE-CB 4.2Å; M615-I699 HydrophobicContact CE-CG2 3.34Å; M615-I699 HydrophobicContact SD-CB 3.99Å; M615-I699 HydrophobicContact SD-CG2 3.81Å
616	L	96.4	Very high	90.3	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-46.1	176.9	178.8	59.7	0	0	0	111.3	M421 K424 L425 L428 I555 I556 S612 G613 E619 A620	M421-L616 HydrophobicContact CB-CD2 4.2Å; M421-L616 HydrophobicContact CB-CG 4.16Å; M421-L616 HydrophobicContact CG-CG 4.29Å; M421-L616 WeakPolarHBondContact O-CD1 3.33Å; K424-L616 HydrophobicContact CB-CD1 4.03Å; K424-L616 HydrophobicContact CG-CD1 4.14Å; L425-L616 HydrophobicContact CB-CD1 3.76Å; L425-L616 HydrophobicContact CB-CD2 4.02Å; L425-L616 HydrophobicContact CD2-CD2 4.2Å; L425-L616 HydrophobicContact CG-CD2 4.5Å; L428-L616 HydrophobicContact CD1-CD1 4.3Å; I555-L616 HydrophobicContact CB-CD2 4.45Å; I555-L616 HydrophobicContact CD1-CD2 4.48Å; I555-L616 HydrophobicContact CG2-CD2 4.16Å; I556-L616 HydrophobicContact CD1-CD2 4.45Å; S612-L616 VanDerWaalsContact O-CB 3.23Å; S612-L616 WeakPolarHBondContact O-CB 3.3Å; S612-L616 PolarHBondContact O-N 3.19Å; G613-L616 PolarHBondContact O-N 2.91Å; L616-E619 PolarHBondContact O-N 3.45Å; L616-A620 WeakPolarHBondContact O-CB 3.03Å; L616-A620 PolarHBondContact O-N 2.87Å
617	S	97.2	Very high	89.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-48.4	176	-176.6	0	0	0	0	111.7	Y544 G548 G613 L614 M615 A620 Y621	Y544-S617 WeakPolarHBondContact CD1-O 3.31Å; Y544-S617 WeakPolarHBondContact CD1-OG 3.39Å; Y544-S617 PolarHBondContact O-OG 2.92Å; G548-S617 VanDerWaalsContact C-OG 3.25Å; G548-S617 WeakPolarHBondContact CA-OG 3.46Å; G548-S617 WeakPolarHBondContact O-CB 3.47Å; G613-S617 WeakPolarHBondContact O-CB 3.33Å; G613-S617 PolarHBondContact O-N 3.14Å; L614-S617 WeakPolarHBondContact O-CB 3.25Å; L614-S617 PolarHBondContact O-N 3.42Å; M615-S617 VanDerWaalsContact C-N 3.31Å; M615-S617 PolarHBondContact O-N 3.45Å; S617-A620 PolarHBondContact O-N 3.49Å; S617-Y621 WeakPolarHBondContact O-CB 3Å; S617-Y621 PolarHBondContact O-N 2.91Å
618	F	96.8	Very high	88.9	Confident	7 Å²	7	32.9 Å²	32.9	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.9	-174.6	-109.3	0	0	0	112.6	L614 M615 A620 Y621 K622 K635 F638 F639	L614-F618 WeakPolarHBondContact O-CB 3.35Å; L614-F618 PolarHBondContact O-N 3.34Å; M615-F618 PolarHBondContact O-N 2.85Å; F618-A620 VanDerWaalsContact C-N 3.34Å; F618-A620 PolarHBondContact O-N 3.4Å; F618-Y621 WeakPolarHBondContact O-CB 3.15Å; F618-Y621 PolarHBondContact O-N 2.93Å; F618-K622 HydrophobicContact CD1-CD 4.29Å; F618-K622 HydrophobicContact CD1-CG 4.34Å; F618-K622 HydrophobicContact CE1-CD 3.8Å; F618-K622 HydrophobicContact CE1-CG 4.02Å; F618-K622 HydrophobicContact CZ-CD 4.33Å; F618-K622 HydrophobicContact CZ-CG 4.22Å; F618-K622 WeakPolarHBondContact O-CG 3.2Å; F618-K622 PolarHBondContact O-N 2.63Å; F618-K635 HydrophobicContact CE2-CB 4.37Å; F618-K635 HydrophobicContact CE2-CG 3.97Å; F618-K635 HydrophobicContact CZ-CD 4.32Å; F618-K635 HydrophobicContact CZ-CG 3.94Å; F618-F638 HydrophobicContact CB-CE1 3.83Å; F618-F638 HydrophobicContact CB-CE2 4.19Å; F618-F638 HydrophobicContact CB-CZ 3.6Å; F618-F638 AromaticContact CD2-CD1 3.62Å; F618-F638 HydrophobicContact CD2-CD1 3.62Å; F618-F638 HydrophobicContact CD2-CD2 4.25Å; F618-F638 AromaticContact CD2-CE1 3.7Å; F618-F638 HydrophobicContact CD2-CE1 3.7Å; F618-F638 HydrophobicContact CD2-CE2 4.27Å; F618-F638 AromaticContact CD2-CG 3.95Å; F618-F638 HydrophobicContact CD2-CG 3.95Å; F618-F638 HydrophobicContact CD2-CZ 4.04Å; F618-F638 HydrophobicContact CE2-CD1 4.28Å; F618-F638 HydrophobicContact CG-CE1 4.16Å; F618-F638 HydrophobicContact CG-CZ 4.32Å; F618-F639 HydrophobicContact CD1-CZ 4.31Å; F618-F639 HydrophobicContact CD2-CE1 4.31Å; F618-F639 HydrophobicContact CD2-CE2 4.15Å; F618-F639 AromaticContact CD2-CZ 3.66Å; F618-F639 HydrophobicContact CD2-CZ 3.66Å; F618-F639 HydrophobicContact CE1-CZ 4.26Å; F618-F639 AromaticContact CE2-CE2 3.66Å; F618-F639 HydrophobicContact CE2-CE2 3.66Å; F618-F639 AromaticContact CE2-CZ 3.59Å; F618-F639 HydrophobicContact CE2-CZ 3.59Å; F618-F639 HydrophobicContact CG-CZ 4.02Å; F618-F639 AromaticContact CZ-CE2 3.98Å; F618-F639 HydrophobicContact CZ-CE2 3.98Å; F618-F639 AromaticContact CZ-CZ 3.9Å; F618-F639 HydrophobicContact CZ-CZ 3.9Å
619	E	94.7	Very high	87.7	Confident	52 Å²	52	39.3 Å²	39.3	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-36.4	178.1	-76.3	-57.9	137.2	0	0	112.6	K424 M615 L616 K622	K424-E619 HydrophobicContact CD-CB 4.38Å; K424-E619 HydrophobicContact CG-CB 3.92Å; K424-E619 IonicContact NZ-OE2 3.22Å; M615-E619 VanDerWaalsContact O-CB 3.28Å; M615-E619 WeakPolarHBondContact O-CB 3.42Å; M615-E619 VanDerWaalsContact O-CG 3.25Å; M615-E619 WeakPolarHBondContact O-CG 3.21Å; M615-E619 PolarHBondContact O-N 3.01Å; L616-E619 PolarHBondContact O-N 3.45Å; E619-K622 WeakPolarHBondContact OE1-CE 3.28Å; E619-K622 IonicContact OE1-NZ 3.21Å; E619-K622 PolarHBondContact OE1-NZ 2.84Å; E619-K622 WeakPolarHBondContact OE2-CE 3.35Å; E619-K622 IonicContact OE2-NZ 3.45Å; E619-K622 PolarHBondContact OE2-NZ 3.47Å
620	A	95.3	Very high	86.7	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-45	170.9	0	0	0	0	0	110.8	M421 K424 Y544 L616 S617 F618 K622 K623	M421-A620 HydrophobicContact CG-CB 3.76Å; K424-A620 HydrophobicContact CB-CB 4.34Å; Y544-A620 HydrophobicContact CE1-CB 3.94Å; L616-A620 WeakPolarHBondContact O-CB 3.03Å; L616-A620 PolarHBondContact O-N 2.87Å; S617-A620 PolarHBondContact O-N 3.49Å; F618-A620 VanDerWaalsContact C-N 3.34Å; F618-A620 PolarHBondContact O-N 3.4Å; A620-K622 PolarHBondContact O-N 2.82Å; A620-K623 PolarHBondContact O-N 3.04Å
621	Y	94.7	Very high	86.3	Confident	8 Å²	8	44.6 Å²	44.6	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-39.2	179.7	-180	-124.2	0	0	0	113.2	M540 Y544 S617 F618 K623 R624 L625 E634 F638	M540-Y621 HydrophobicContact CB-CE2 3.94Å; Y544-Y621 AromaticContact CD2-CD2 3.72Å; Y544-Y621 HydrophobicContact CD2-CD2 3.72Å; Y544-Y621 HydrophobicContact CD2-CG 4.36Å; Y544-Y621 HydrophobicContact CE2-CD2 4.32Å; Y544-Y621 AromaticContact CG-CD2 3.95Å; Y544-Y621 HydrophobicContact CG-CD2 3.95Å; Y544-Y621 HydrophobicContact CG-CG 4.12Å; S617-Y621 WeakPolarHBondContact O-CB 3Å; S617-Y621 PolarHBondContact O-N 2.91Å; F618-Y621 WeakPolarHBondContact O-CB 3.15Å; F618-Y621 PolarHBondContact O-N 2.93Å; Y621-K623 PolarHBondContact O-N 2.91Å; Y621-R624 HydrophobicContact CD2-CB 4.39Å; Y621-R624 HydrophobicContact CE2-CB 4.27Å; Y621-R624 WeakPolarHBondContact O-CB 3.25Å; Y621-R624 PolarHBondContact O-N 3.05Å; Y621-L625 HydrophobicContact CD1-CD2 4.44Å; Y621-L625 HydrophobicContact CD1-CG 4.46Å; Y621-L625 HydrophobicContact CE1-CD1 4.34Å; Y621-L625 HydrophobicContact CE1-CD2 3.59Å; Y621-L625 HydrophobicContact CE1-CG 4.06Å; Y621-L625 WeakPolarHBondContact OH-CD2 3.25Å; Y621-E634 HydrophobicContact CE1-CB 4.45Å; Y621-E634 PolarHBondContact OH-OE2 2.75Å; Y621-F638 HydrophobicContact CD1-CD2 4.11Å; Y621-F638 HydrophobicContact CG-CD2 4.5Å
622	K	90.7	Very high	86.1	Confident	77 Å²	77	47 Å²	47	34%	0.335	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-54.1	-28.4	-178.9	-80.9	-168.2	-57.3	-178.7	0	114.1	F618 E619 A620 R624 L625	F618-K622 HydrophobicContact CD1-CD 4.29Å; F618-K622 HydrophobicContact CD1-CG 4.34Å; F618-K622 HydrophobicContact CE1-CD 3.8Å; F618-K622 HydrophobicContact CE1-CG 4.02Å; F618-K622 HydrophobicContact CZ-CD 4.33Å; F618-K622 HydrophobicContact CZ-CG 4.22Å; F618-K622 WeakPolarHBondContact O-CG 3.2Å; F618-K622 PolarHBondContact O-N 2.63Å; E619-K622 WeakPolarHBondContact OE1-CE 3.28Å; E619-K622 IonicContact OE1-NZ 3.21Å; E619-K622 PolarHBondContact OE1-NZ 2.84Å; E619-K622 WeakPolarHBondContact OE2-CE 3.35Å; E619-K622 IonicContact OE2-NZ 3.45Å; E619-K622 PolarHBondContact OE2-NZ 3.47Å; A620-K622 PolarHBondContact O-N 2.82Å; K622-R624 PolarHBondContact O-N 3.31Å; K622-L625 HydrophobicContact CG-CD1 4.19Å; K622-L625 PolarHBondContact O-N 3.01Å; K622-L625 VanDerWaalsContact O-N 3.11Å
623	K	86.3	Confident	85.9	Confident	129 Å²	129	50.2 Å²	50.2	56%	0.561	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.2	175.8	-68.1	-175.4	178.7	178.7	0	112.7	E427 A620 Y621	E427-K623 IonicContact OE2-NZ 3.4Å; E427-K623 PolarHBondContact OE2-NZ 2.88Å; A620-K623 PolarHBondContact O-N 3.04Å; Y621-K623 PolarHBondContact O-N 2.91Å
624	R	84.8	Confident	85.7	Confident	82 Å²	82	53.2 Å²	53.2	31%	0.309	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-93.1	-10.5	178	-59.8	-178.6	171.4	-138.3	-2.5	113.5	E420 M540 Y621 K622	E420-R624 VanDerWaalsContact CD-NH2 3.32Å; E420-R624 IonicContact OE1-CZ 2.73Å; E420-R624 IonicContact OE1-NE 3.97Å; E420-R624 IonicContact OE1-NH2 2.75Å; E420-R624 PolarHBondContact OE1-NH2 2.99Å; E420-R624 IonicContact OE2-CZ 2.82Å; E420-R624 IonicContact OE2-NE 3.02Å; E420-R624 PolarHBondContact OE2-NE 3.18Å; E420-R624 IonicContact OE2-NH2 3.67Å; E420-R624 PolarHBondContact OE2-NH2 3.24Å; M540-R624 PolarHBondContact SD-NH1 3.41Å; Y621-R624 HydrophobicContact CD2-CB 4.39Å; Y621-R624 HydrophobicContact CE2-CB 4.27Å; Y621-R624 WeakPolarHBondContact O-CB 3.25Å; Y621-R624 PolarHBondContact O-N 3.05Å; K622-R624 PolarHBondContact O-N 3.31Å
625	L	85	Confident	85.6	Confident	32 Å²	32	55.3 Å²	55.3	17%	0.168	30%	0.298	C	S	.	.			trans	-79.6	126.7	179.1	-66.1	179.5	0	0	0	110.7	Y621 K622 E634 K635	Y621-L625 HydrophobicContact CD1-CD2 4.44Å; Y621-L625 HydrophobicContact CD1-CG 4.46Å; Y621-L625 HydrophobicContact CE1-CD1 4.34Å; Y621-L625 HydrophobicContact CE1-CD2 3.59Å; Y621-L625 HydrophobicContact CE1-CG 4.06Å; Y621-L625 WeakPolarHBondContact OH-CD2 3.25Å; K622-L625 HydrophobicContact CG-CD1 4.19Å; K622-L625 PolarHBondContact O-N 3.01Å; K622-L625 VanDerWaalsContact O-N 3.11Å; L625-E634 HydrophobicContact CD2-CB 3.61Å; L625-E634 HydrophobicContact CD2-CG 4.29Å; L625-K635 HydrophobicContact CD1-CD 4.27Å; L625-K635 HydrophobicContact CD1-CG 3.73Å
626	T	73	Confident	85.5	Confident	90 Å²	90	57.1 Å²	57.1	55%	0.552	31%	0.305	S	S	*	.			trans	-72.3	147	164.4	47.9	0	0	0	0	109.5	N628 S631	T626-N628 PolarHBondContact O-N 3.44Å; T626-N628 PolarHBondContact O-OD1 2.91Å; T626-N628 PolarHBondContact OG1-OD1 3.41Å; T626-S631 WeakPolarHBondContact O-CB 3.32Å
627	G	63.9	Low	85.4	Confident	93 Å²	93	58 Å²	58	96%	0.959	31%	0.309	S	S	*	.	S	Bend	trans	-70.3	24.4	-172.5	0	0	0	0	0	117.4
628	N	70.7	Confident	85.3	Confident	71 Å²	71	58 Å²	58	38%	0.38	31%	0.309	S	S	.	.	S	Bend	trans	-110.6	-175	-169.8	64.7	-12.1	0	0	0	113.8	T626 D630 S631	T626-N628 PolarHBondContact O-N 3.44Å; T626-N628 PolarHBondContact O-OD1 2.91Å; T626-N628 PolarHBondContact OG1-OD1 3.41Å; N628-D630 VanDerWaalsContact C-N 3.29Å; N628-D630 PolarHBondContact ND2-OD2 3.11Å; N628-D630 PolarHBondContact O-N 3.09Å; N628-S631 WeakPolarHBondContact O-CB 3.34Å; N628-S631 PolarHBondContact O-N 3.24Å; N628-S631 PolarHBondContact O-OG 3.29Å
629	L	62.7	Low	85.3	Confident	135 Å²	135	57.7 Å²	57.7	71%	0.707	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.7	178.6	-164.4	77.7	0	0	0	112.6	S631 L632	L629-S631 PolarHBondContact O-N 3.04Å; L629-S631 VanDerWaalsContact O-N 3.15Å; L629-L632 WeakPolarHBondContact O-CB 3.48Å; L629-L632 PolarHBondContact O-N 2.98Å
630	D	66.6	Low	85.1	Confident	97 Å²	97	56.3 Å²	56.3	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-33.9	173.1	-55.6	-33.5	0	0	0	110.7	N628 L632 N633 E634	N628-D630 VanDerWaalsContact C-N 3.29Å; N628-D630 PolarHBondContact ND2-OD2 3.11Å; N628-D630 PolarHBondContact O-N 3.09Å; D630-L632 VanDerWaalsContact C-N 3.27Å; D630-L632 PolarHBondContact O-N 2.79Å; D630-N633 PolarHBondContact O-N 2.9Å; D630-E634 WeakPolarHBondContact O-CB 3.39Å; D630-E634 VanDerWaalsContact O-CG 3.25Å; D630-E634 WeakPolarHBondContact O-CG 3.45Å; D630-E634 PolarHBondContact O-N 3.03Å
631	S	82.3	Confident	85	Confident	15 Å²	15	56.2 Å²	56.2	11%	0.105	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-29.4	176	91.3	0	0	0	0	114	T626 N628 L629 K635	T626-S631 WeakPolarHBondContact O-CB 3.32Å; N628-S631 WeakPolarHBondContact O-CB 3.34Å; N628-S631 PolarHBondContact O-N 3.24Å; N628-S631 PolarHBondContact O-OG 3.29Å; L629-S631 PolarHBondContact O-N 3.04Å; L629-S631 VanDerWaalsContact O-N 3.15Å; S631-K635 WeakPolarHBondContact O-CB 3.48Å; S631-K635 WeakPolarHBondContact O-CD 3.28Å; S631-K635 WeakPolarHBondContact O-CG 3.17Å; S631-K635 PolarHBondContact O-N 3.16Å
632	L	87.6	Confident	84.8	Confident	53 Å²	53	55.9 Å²	55.9	28%	0.277	30%	0.302	S	S	.	.	H	α-helix	trans	-72	-43.3	178	-177.2	62.4	0	0	0	110.7	L629 D630 K635 K636	L629-L632 WeakPolarHBondContact O-CB 3.48Å; L629-L632 PolarHBondContact O-N 2.98Å; D630-L632 VanDerWaalsContact C-N 3.27Å; D630-L632 PolarHBondContact O-N 2.79Å; L632-K635 PolarHBondContact O-N 3.42Å; L632-K636 WeakPolarHBondContact O-CG 3.47Å; L632-K636 PolarHBondContact O-N 2.85Å
633	N	89.3	Confident	84.8	Confident	72 Å²	72	52.2 Å²	52.2	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-43.4	176.3	-74.6	-9.6	0	0	0	110.8	D630 K635 K636 M637	D630-N633 PolarHBondContact O-N 2.9Å; N633-K635 PolarHBondContact O-N 2.87Å; N633-K636 PolarHBondContact O-N 3.43Å; N633-M637 WeakPolarHBondContact O-CB 3.49Å; N633-M637 WeakPolarHBondContact O-CG 3.39Å; N633-M637 PolarHBondContact O-N 3.47Å
634	E	91.5	Very high	84.7	Confident	62 Å²	62	46.9 Å²	46.9	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-40.1	174.8	-71.7	-65.5	137.9	0	0	112.6	S541 Y621 L625 D630 M637 F638	S541-E634 WeakPolarHBondContact CB-O 3.42Å; S541-E634 WeakPolarHBondContact CB-OE2 3.48Å; S541-E634 PolarHBondContact OG-OE2 3.28Å; Y621-E634 HydrophobicContact CE1-CB 4.45Å; Y621-E634 PolarHBondContact OH-OE2 2.75Å; L625-E634 HydrophobicContact CD2-CB 3.61Å; L625-E634 HydrophobicContact CD2-CG 4.29Å; D630-E634 WeakPolarHBondContact O-CB 3.39Å; D630-E634 VanDerWaalsContact O-CG 3.25Å; D630-E634 WeakPolarHBondContact O-CG 3.45Å; D630-E634 PolarHBondContact O-N 3.03Å; E634-M637 PolarHBondContact O-N 3.24Å; E634-F638 PolarHBondContact O-N 3.49Å
635	K	93.1	Very high	84.6	Confident	47 Å²	47	43.1 Å²	43.1	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-45	174	-74.3	168.8	-172.6	-179.7	0	112.1	F618 L625 S631 L632 N633 M637 F638 F639 A683	F618-K635 HydrophobicContact CE2-CB 4.37Å; F618-K635 HydrophobicContact CE2-CG 3.97Å; F618-K635 HydrophobicContact CZ-CD 4.32Å; F618-K635 HydrophobicContact CZ-CG 3.94Å; L625-K635 HydrophobicContact CD1-CD 4.27Å; L625-K635 HydrophobicContact CD1-CG 3.73Å; S631-K635 WeakPolarHBondContact O-CB 3.48Å; S631-K635 WeakPolarHBondContact O-CD 3.28Å; S631-K635 WeakPolarHBondContact O-CG 3.17Å; S631-K635 PolarHBondContact O-N 3.16Å; L632-K635 PolarHBondContact O-N 3.42Å; N633-K635 PolarHBondContact O-N 2.87Å; K635-M637 VanDerWaalsContact C-N 3.3Å; K635-M637 PolarHBondContact O-N 3.14Å; K635-F638 WeakPolarHBondContact O-CB 3.44Å; K635-F638 PolarHBondContact O-N 2.83Å; K635-F639 WeakPolarHBondContact O-CD2 3.32Å; K635-F639 PolarHBondContact O-N 3.22Å; K635-A683 HydrophobicContact CB-CB 3.95Å
636	K	93.2	Very high	84.5	Confident	72 Å²	72	42.5 Å²	42.5	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-40.2	176.1	-72.5	178.3	177.9	178.2	0	111.1	L632 N633 F639 S640 A683 Y684	L632-K636 WeakPolarHBondContact O-CG 3.47Å; L632-K636 PolarHBondContact O-N 2.85Å; N633-K636 PolarHBondContact O-N 3.43Å; K636-F639 PolarHBondContact O-N 2.9Å; K636-S640 VanDerWaalsContact O-CB 3.32Å; K636-S640 WeakPolarHBondContact O-CB 3.2Å; K636-S640 PolarHBondContact O-N 2.81Å; K636-A683 WeakPolarHBondContact CE-O 3.16Å; K636-A683 HydrophobicContact CG-CB 4.4Å; K636-Y684 HydrophobicContact CB-CE1 4.46Å; K636-Y684 HydrophobicContact CD-CE1 4.29Å; K636-Y684 HydrophobicContact CG-CD1 4.47Å; K636-Y684 HydrophobicContact CG-CE1 4.01Å; K636-Y684 HydrophobicContact CG-CE2 4.22Å; K636-Y684 PolarHBondContact O-OH 3.19Å; K636-Y684 VanDerWaalsContact O-OH 3.12Å
637	M	93.5	Very high	84.9	Confident	21 Å²	21	39.8 Å²	39.8	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-41	176.8	-78.9	-59.8	-74.7	0	0	112.7	L65 I67 S541 E542 N633 E634 K635 F639 S640 A641	L65-M637 HydrophobicContact CD2-CE 4.29Å; L65-M637 HydrophobicContact CD2-SD 4.23Å; I67-M637 HydrophobicContact CD1-CE 3.53Å; I67-M637 HydrophobicContact CD1-CG 4.04Å; I67-M637 HydrophobicContact CD1-SD 3.28Å; I67-M637 WeakPolarHBondContact CD1-SD 3.34Å; I67-M637 HydrophobicContact CG1-SD 4.22Å; S541-M637 WeakPolarHBondContact OG-CB 3.01Å; E542-M637 HydrophobicContact CG-CE 4Å; N633-M637 WeakPolarHBondContact O-CB 3.49Å; N633-M637 WeakPolarHBondContact O-CG 3.39Å; N633-M637 PolarHBondContact O-N 3.47Å; E634-M637 PolarHBondContact O-N 3.24Å; K635-M637 VanDerWaalsContact C-N 3.3Å; K635-M637 PolarHBondContact O-N 3.14Å; M637-F639 PolarHBondContact O-N 3.34Å; M637-S640 PolarHBondContact O-N 3.32Å; M637-A641 VanDerWaalsContact O-CB 3.22Å; M637-A641 WeakPolarHBondContact O-CB 3.39Å; M637-A641 PolarHBondContact O-N 3.23Å
638	F	95.9	Very high	85.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54	-53.1	173.1	171.7	-80.7	0	0	0	111.9	S541 Y544 G545 L614 F618 Y621 E634 K635 A641 F642	S541-F638 WeakPolarHBondContact O-CA 3.27Å; Y544-F638 WeakPolarHBondContact O-CE2 3.33Å; G545-F638 WeakPolarHBondContact CA-O 3.25Å; G545-F638 VanDerWaalsContact N-CD2 3.33Å; L614-F638 HydrophobicContact CD1-CE1 3.68Å; L614-F638 HydrophobicContact CD1-CZ 3.7Å; L614-F638 HydrophobicContact CG-CE1 4.24Å; L614-F638 HydrophobicContact CG-CZ 4.41Å; F618-F638 HydrophobicContact CB-CE1 3.83Å; F618-F638 HydrophobicContact CB-CE2 4.19Å; F618-F638 HydrophobicContact CB-CZ 3.6Å; F618-F638 AromaticContact CD2-CD1 3.62Å; F618-F638 HydrophobicContact CD2-CD1 3.62Å; F618-F638 HydrophobicContact CD2-CD2 4.25Å; F618-F638 AromaticContact CD2-CE1 3.7Å; F618-F638 HydrophobicContact CD2-CE1 3.7Å; F618-F638 HydrophobicContact CD2-CE2 4.27Å; F618-F638 AromaticContact CD2-CG 3.95Å; F618-F638 HydrophobicContact CD2-CG 3.95Å; F618-F638 HydrophobicContact CD2-CZ 4.04Å; F618-F638 HydrophobicContact CE2-CD1 4.28Å; F618-F638 HydrophobicContact CG-CE1 4.16Å; F618-F638 HydrophobicContact CG-CZ 4.32Å; Y621-F638 HydrophobicContact CD1-CD2 4.11Å; Y621-F638 HydrophobicContact CG-CD2 4.5Å; E634-F638 PolarHBondContact O-N 3.49Å; K635-F638 WeakPolarHBondContact O-CB 3.44Å; K635-F638 PolarHBondContact O-N 2.83Å; F638-A641 PolarHBondContact O-N 3.35Å; F638-F642 PolarHBondContact O-N 3.31Å; F638-F642 VanDerWaalsContact O-N 3.07Å
639	F	95.5	Very high	85.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.3	-34	-177	-65.4	-62.3	0	0	0	112.7	F618 K635 K636 M637 A643 L674 G679 F680 A683 Y684	F618-F639 HydrophobicContact CD1-CZ 4.31Å; F618-F639 HydrophobicContact CD2-CE1 4.31Å; F618-F639 HydrophobicContact CD2-CE2 4.15Å; F618-F639 AromaticContact CD2-CZ 3.66Å; F618-F639 HydrophobicContact CD2-CZ 3.66Å; F618-F639 HydrophobicContact CE1-CZ 4.26Å; F618-F639 AromaticContact CE2-CE2 3.66Å; F618-F639 HydrophobicContact CE2-CE2 3.66Å; F618-F639 AromaticContact CE2-CZ 3.59Å; F618-F639 HydrophobicContact CE2-CZ 3.59Å; F618-F639 HydrophobicContact CG-CZ 4.02Å; F618-F639 AromaticContact CZ-CE2 3.98Å; F618-F639 HydrophobicContact CZ-CE2 3.98Å; F618-F639 AromaticContact CZ-CZ 3.9Å; F618-F639 HydrophobicContact CZ-CZ 3.9Å; K635-F639 WeakPolarHBondContact O-CD2 3.32Å; K635-F639 PolarHBondContact O-N 3.22Å; K636-F639 PolarHBondContact O-N 2.9Å; M637-F639 PolarHBondContact O-N 3.34Å; F639-A643 WeakPolarHBondContact O-CB 3.25Å; F639-A643 PolarHBondContact O-N 2.86Å; F639-L674 HydrophobicContact CB-CD2 4.48Å; F639-L674 HydrophobicContact CD1-CD2 3.46Å; F639-L674 VanDerWaalsContact CD1-CD2 3.46Å; F639-L674 HydrophobicContact CE1-CD2 4.09Å; F639-L674 HydrophobicContact CG-CD2 4.29Å; F639-G679 VanDerWaalsContact CE2-C 3.49Å; F639-G679 WeakPolarHBondContact CE2-O 3.48Å; F639-F680 HydrophobicContact CB-CD2 3.96Å; F639-F680 HydrophobicContact CD1-CB 4.08Å; F639-F680 HydrophobicContact CD1-CD2 4.17Å; F639-F680 HydrophobicContact CD2-CB 4.24Å; F639-F680 HydrophobicContact CD2-CD2 4.14Å; F639-F680 HydrophobicContact CE1-CB 3.89Å; F639-F680 VanDerWaalsContact CE2-CA 3.44Å; F639-F680 HydrophobicContact CE2-CB 4.08Å; F639-F680 HydrophobicContact CG-CB 4.26Å; F639-F680 AromaticContact CG-CD2 3.82Å; F639-F680 HydrophobicContact CG-CD2 3.82Å; F639-F680 HydrophobicContact CZ-CB 3.91Å; F639-A683 HydrophobicContact CD2-CB 4.21Å; F639-A683 HydrophobicContact CE2-CB 4.13Å; F639-Y684 HydrophobicContact CB-CE2 4.08Å; F639-Y684 HydrophobicContact CD2-CE2 4.31Å
640	S	92.4	Very high	85.3	Confident	23 Å²	23	28.7 Å²	28.7	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-42.1	173.4	-174.8	0	0	0	0	111.3	K636 M637 A643 K644	K636-S640 VanDerWaalsContact O-CB 3.32Å; K636-S640 WeakPolarHBondContact O-CB 3.2Å; K636-S640 PolarHBondContact O-N 2.81Å; M637-S640 PolarHBondContact O-N 3.32Å; S640-A643 PolarHBondContact O-N 2.96Å; S640-K644 WeakPolarHBondContact O-CB 3.39Å; S640-K644 WeakPolarHBondContact O-CG 3.38Å; S640-K644 PolarHBondContact O-N 3.29Å; S640-K644 WeakPolarHBondContact OG-CE 3.39Å
641	A	91.4	Very high	85.3	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-44.8	177.8	0	0	0	0	0	111.8	E542 I546 M637 F638 K644 I645	E542-A641 HydrophobicContact CB-CB 4.16Å; E542-A641 HydrophobicContact CG-CB 4.1Å; I546-A641 HydrophobicContact CD1-CB 3.96Å; I546-A641 HydrophobicContact CG1-CB 3.78Å; I546-A641 WeakPolarHBondContact CG1-O 3.39Å; M637-A641 VanDerWaalsContact O-CB 3.22Å; M637-A641 WeakPolarHBondContact O-CB 3.39Å; M637-A641 PolarHBondContact O-N 3.23Å; F638-A641 PolarHBondContact O-N 3.35Å; A641-K644 PolarHBondContact O-N 3.44Å; A641-I645 PolarHBondContact O-N 3.3Å
642	F	92.3	Very high	84.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-53.3	-53.7	169.9	162.5	-100.3	0	0	0	111.8	G545 W549 L614 F638 K644 I645 V646 V670 V673 L674	G545-F642 VanDerWaalsContact O-CA 3.31Å; G545-F642 WeakPolarHBondContact O-CA 3.34Å; G545-F642 VanDerWaalsContact O-CB 3.27Å; G545-F642 WeakPolarHBondContact O-CB 3.43Å; W549-F642 HydrophobicContact CB-CD2 4.18Å; W549-F642 AromaticContact CD2-CD2 3.52Å; W549-F642 HydrophobicContact CD2-CD2 3.52Å; W549-F642 AromaticContact CD2-CE2 3.39Å; W549-F642 HydrophobicContact CD2-CE2 3.39Å; W549-F642 AromaticContact CE2-CE2 3.49Å; W549-F642 VanDerWaalsContact CE2-CE2 3.49Å; W549-F642 AromaticContact CE3-CD2 3.66Å; W549-F642 HydrophobicContact CE3-CD2 3.66Å; W549-F642 AromaticContact CE3-CE2 3.68Å; W549-F642 HydrophobicContact CE3-CE2 3.68Å; W549-F642 AromaticContact CG-CD2 3.71Å; W549-F642 HydrophobicContact CG-CD2 3.71Å; W549-F642 AromaticContact CG-CE2 3.86Å; W549-F642 HydrophobicContact CG-CE2 3.86Å; W549-F642 HydrophobicContact CH2-CE2 4.13Å; W549-F642 AromaticContact CZ2-CE2 3.91Å; W549-F642 HydrophobicContact CZ2-CE2 3.91Å; W549-F642 HydrophobicContact CZ3-CD2 4.33Å; W549-F642 HydrophobicContact CZ3-CE2 4.02Å; W549-F642 AromaticContact NE1-CE2 3.88Å; L614-F642 HydrophobicContact CD1-CB 4.12Å; L614-F642 HydrophobicContact CD1-CD2 3.7Å; L614-F642 HydrophobicContact CD1-CE2 4.33Å; L614-F642 HydrophobicContact CD1-CG 3.84Å; L614-F642 HydrophobicContact CD2-CD1 4.18Å; L614-F642 HydrophobicContact CD2-CD2 4.32Å; L614-F642 HydrophobicContact CD2-CE1 4.24Å; L614-F642 HydrophobicContact CD2-CE2 4.36Å; L614-F642 HydrophobicContact CD2-CG 4.23Å; L614-F642 HydrophobicContact CD2-CZ 4.32Å; F638-F642 PolarHBondContact O-N 3.31Å; F638-F642 VanDerWaalsContact O-N 3.07Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.21Å; F642-I645 WeakPolarHBondContact O-CG2 3.47Å; F642-I645 PolarHBondContact O-N 3.37Å; F642-V646 HydrophobicContact CD2-CG2 4.28Å; F642-V646 HydrophobicContact CE2-CG2 3.7Å; F642-V646 HydrophobicContact CZ-CG2 3.85Å; F642-V646 PolarHBondContact O-N 3.4Å; F642-V670 HydrophobicContact CE1-CG1 4.25Å; F642-V673 HydrophobicContact CE1-CB 4.33Å; F642-V673 HydrophobicContact CE2-CG1 4.4Å; F642-V673 HydrophobicContact CZ-CB 3.77Å; F642-V673 HydrophobicContact CZ-CG1 3.91Å; F642-V673 HydrophobicContact CZ-CG2 4.04Å; F642-L674 HydrophobicContact CD1-CD1 3.96Å; F642-L674 HydrophobicContact CD1-CD2 3.82Å; F642-L674 HydrophobicContact CD1-CG 3.91Å; F642-L674 HydrophobicContact CE1-CD1 3.93Å; F642-L674 HydrophobicContact CE1-CD2 3.95Å; F642-L674 HydrophobicContact CE1-CG 3.63Å
643	A	89.9	Confident	83	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-39.6	-176.7	0	0	0	0	0	111.1	F87 F639 S640 I645 V646 C647 V670	F87-A643 HydrophobicContact CD1-CB 4.16Å; F87-A643 HydrophobicContact CE1-CB 3.66Å; F639-A643 WeakPolarHBondContact O-CB 3.25Å; F639-A643 PolarHBondContact O-N 2.86Å; S640-A643 PolarHBondContact O-N 2.96Å; A643-I645 PolarHBondContact O-N 2.84Å; A643-V646 PolarHBondContact O-N 3.49Å; A643-C647 WeakPolarHBondContact O-CB 3.3Å; A643-C647 PolarHBondContact O-N 3.05Å; A643-C647 PolarHBondContact O-SG 3.34Å; A643-V670 HydrophobicContact CB-CG1 3.61Å; A643-V670 HydrophobicContact CB-CG2 4.06Å
644	K	83.8	Confident	81.6	Confident	17 Å²	17	21.5 Å²	21.5	7%	0.074	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-43.2	-179.2	-74.6	170.5	-175.2	171.3	0	113.3	L95 S640 A641 F642 C647 S648	L95-K644 HydrophobicContact CD1-CB 3.9Å; L95-K644 HydrophobicContact CD1-CG 3.85Å; L95-K644 HydrophobicContact CD2-CB 4.35Å; L95-K644 HydrophobicContact CD2-CD 4.47Å; L95-K644 HydrophobicContact CD2-CG 3.96Å; L95-K644 HydrophobicContact CG-CG 4.07Å; S640-K644 WeakPolarHBondContact O-CB 3.39Å; S640-K644 WeakPolarHBondContact O-CG 3.38Å; S640-K644 PolarHBondContact O-N 3.29Å; S640-K644 WeakPolarHBondContact OG-CE 3.39Å; A641-K644 PolarHBondContact O-N 3.44Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.21Å; K644-C647 PolarHBondContact O-N 3.32Å; K644-S648 PolarHBondContact O-N 3.26Å
645	I	83.1	Confident	80.1	Confident	3 Å²	3	18.6 Å²	18.6	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-39.2	-179.2	-168.9	63.4	0	0	0	111.2	P532 F533 I546 W549 A641 F642 A643 S648 L650	P532-I645 HydrophobicContact CB-CD1 4.31Å; P532-I645 HydrophobicContact CG-CD1 3.84Å; F533-I645 HydrophobicContact CD1-CD1 3.72Å; F533-I645 HydrophobicContact CD1-CG1 4.01Å; F533-I645 HydrophobicContact CE1-CD1 3.73Å; F533-I645 HydrophobicContact CE1-CG1 4.09Å; I546-I645 HydrophobicContact CG1-CB 4.47Å; I546-I645 HydrophobicContact CG1-CG2 4.38Å; I546-I645 HydrophobicContact CG2-CB 4.03Å; I546-I645 HydrophobicContact CG2-CG1 4.06Å; I546-I645 HydrophobicContact CG2-CG2 4.04Å; W549-I645 HydrophobicContact CE3-CG2 4.26Å; W549-I645 HydrophobicContact CZ3-CG2 4.2Å; A641-I645 PolarHBondContact O-N 3.3Å; F642-I645 WeakPolarHBondContact O-CG2 3.47Å; F642-I645 PolarHBondContact O-N 3.37Å; A643-I645 PolarHBondContact O-N 2.84Å; I645-S648 PolarHBondContact O-N 3.35Å; I645-S648 PolarHBondContact O-OG 3.1Å; I645-L650 HydrophobicContact CD1-CD1 3.83Å
646	V	83.1	Confident	78.6	Confident	19 Å²	19	18.4 Å²	18.4	12%	0.115	11%	0.106	C	C	.	.	H	α-helix	trans	-67.4	-42.6	176.4	179.1	0	0	0	0	111.1	W549 F642 A643 S648 G649 V670	W549-V646 HydrophobicContact CE3-CG2 4.39Å; W549-V646 HydrophobicContact CH2-CG2 3.68Å; W549-V646 HydrophobicContact CZ3-CG2 3.58Å; F642-V646 HydrophobicContact CD2-CG2 4.28Å; F642-V646 HydrophobicContact CE2-CG2 3.7Å; F642-V646 HydrophobicContact CZ-CG2 3.85Å; F642-V646 PolarHBondContact O-N 3.4Å; A643-V646 PolarHBondContact O-N 3.49Å; V646-S648 PolarHBondContact O-N 2.98Å; V646-G649 PolarHBondContact O-N 2.99Å; V646-V670 HydrophobicContact CB-CG2 3.71Å; V646-V670 HydrophobicContact CG1-CG2 3.68Å
647	C	80.6	Confident	77.2	Confident	33 Å²	33	17.1 Å²	17.1	22%	0.223	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-24	176.3	-69.7	0	0	0	0	113.8	C92 L95 A643 K644 G649	C92-C647 WeakPolarHBondContact CA-SG 3.13Å; C92-C647 HydrophobicContact CB-CB 3.77Å; C92-C647 WeakPolarHBondContact CB-SG 3.34Å; C92-C647 PolarHBondContact N-SG 2.84Å; C92-C647 WeakPolarHBondContact SG-CB 3.46Å; C92-C647 CovalentContact SG-SG 2.02Å; C92-C647 PolarHBondContact SG-SG 2.81Å; L95-C647 HydrophobicContact CD1-CB 3.31Å; A643-C647 WeakPolarHBondContact O-CB 3.3Å; A643-C647 PolarHBondContact O-N 3.05Å; A643-C647 PolarHBondContact O-SG 3.34Å; K644-C647 PolarHBondContact O-N 3.32Å; C647-G649 PolarHBondContact O-N 3.1Å
648	S	74.4	Confident	75.4	Confident	19 Å²	19	17.1 Å²	17.1	13%	0.133	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	4.2	-179.3	73.7	0	0	0	0	114.5	K644 I645 V646 L650	K644-S648 PolarHBondContact O-N 3.26Å; I645-S648 PolarHBondContact O-N 3.35Å; I645-S648 PolarHBondContact O-OG 3.1Å; V646-S648 PolarHBondContact O-N 2.98Å; S648-L650 VanDerWaalsContact C-N 3.34Å; S648-L650 WeakPolarHBondContact OG-CD1 3.4Å
649	G	67.1	Low	73.5	Confident	41 Å²	41	18.9 Å²	18.9	42%	0.423	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	5.8	-178	0	0	0	0	0	113.9	V646 C647	V646-G649 PolarHBondContact O-N 2.99Å; C647-G649 PolarHBondContact O-N 3.1Å
650	L	64.9	Low	71.2	Confident	7 Å²	7	23.9 Å²	23.9	4%	0.037	14%	0.143	C	C	.	.			trans	-88.2	106.5	176.3	-70.7	166.3	0	0	0	109.9	F105 F533 I645 S648	F105-L650 HydrophobicContact CB-CD1 4.4Å; F533-L650 HydrophobicContact CE1-CD1 3.56Å; F533-L650 HydrophobicContact CE2-CD1 4.37Å; F533-L650 HydrophobicContact CZ-CD1 3.33Å; F533-L650 HydrophobicContact CZ-CD2 4.34Å; F533-L650 HydrophobicContact CZ-CG 4.42Å; I645-L650 HydrophobicContact CD1-CD1 3.83Å; S648-L650 VanDerWaalsContact C-N 3.34Å; S648-L650 WeakPolarHBondContact OG-CD1 3.4Å
651	S	66.1	Low	69.1	Low	16 Å²	16	31.8 Å²	31.8	11%	0.112	17%	0.174	C	C	.	.			trans	-83.1	151.1	171.1	70.8	0	0	0	0	111.2	Y653 T654 I655	S651-Y653 PolarHBondContact O-N 3.19Å; S651-T654 WeakPolarHBondContact O-CB 3.37Å; S651-T654 PolarHBondContact O-N 3.03Å; S651-T654 PolarHBondContact OG-N 3.38Å; S651-T654 VanDerWaalsContact OG-N 3.16Å; S651-T654 PolarHBondContact OG-OG1 2.95Å; S651-I655 PolarHBondContact O-N 3.14Å; S651-I655 VanDerWaalsContact O-N 3.14Å
652	L	61.2	Low	66.4	Low	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-32.2	172.9	-171.5	71.2	0	0	0	111.3	W549 L550 Q606 I655 Q656 F668	W549-L652 HydrophobicContact CH2-CB 4.31Å; W549-L652 HydrophobicContact CH2-CD1 4.37Å; W549-L652 HydrophobicContact CZ2-CB 4.39Å; W549-L652 HydrophobicContact CZ2-CD1 4.27Å; L550-L652 HydrophobicContact CD2-CD1 3.65Å; Q606-L652 HydrophobicContact CG-CD2 4.03Å; L652-I655 PolarHBondContact O-N 3.15Å; L652-Q656 HydrophobicContact CG-CG 4.42Å; L652-Q656 WeakPolarHBondContact O-CB 3.44Å; L652-Q656 VanDerWaalsContact O-CG 3.29Å; L652-Q656 WeakPolarHBondContact O-CG 3.42Å; L652-Q656 PolarHBondContact O-N 2.66Å; L652-Q656 PolarHBondContact O-OE1 2.83Å; L652-F668 HydrophobicContact CB-CE1 3.86Å; L652-F668 HydrophobicContact CB-CE2 4.46Å; L652-F668 HydrophobicContact CB-CZ 3.41Å; L652-F668 VanDerWaalsContact CB-CZ 3.41Å; L652-F668 HydrophobicContact CD2-CE1 4.03Å; L652-F668 HydrophobicContact CD2-CZ 3.65Å; L652-F668 HydrophobicContact CG-CZ 4.14Å
653	Y	60.8	Low	63.8	Low	57 Å²	57	40.4 Å²	40.4	22%	0.224	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-44.2	174.5	-176.8	-91	0	0	0	112.3	Q606 S651 I655 Q656 S657 H662	Q606-Y653 VanDerWaalsContact NE2-CA 3.3Å; S651-Y653 PolarHBondContact O-N 3.19Å; Y653-I655 VanDerWaalsContact C-N 3.28Å; Y653-I655 PolarHBondContact O-N 3.1Å; Y653-Q656 PolarHBondContact O-N 3.23Å; Y653-S657 WeakPolarHBondContact CE1-OG 3.11Å; Y653-S657 VanDerWaalsContact O-CB 3.31Å; Y653-S657 WeakPolarHBondContact O-CB 3.31Å; Y653-S657 PolarHBondContact O-N 3.09Å; Y653-S657 PolarHBondContact O-OG 3.16Å; Y653-H662 HydrophobicContact CD1-CB 4.31Å; Y653-H662 HydrophobicContact CE1-CB 3.85Å
654	T	60.7	Low	61.4	Low	11 Å²	11	50 Å²	50	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-40.2	177.9	-56.5	0	0	0	0	110.8	S651 G658 R660	S651-T654 WeakPolarHBondContact O-CB 3.37Å; S651-T654 PolarHBondContact O-N 3.03Å; S651-T654 PolarHBondContact OG-N 3.38Å; S651-T654 VanDerWaalsContact OG-N 3.16Å; S651-T654 PolarHBondContact OG-OG1 2.95Å; T654-G658 VanDerWaalsContact O-CA 3.25Å; T654-G658 WeakPolarHBondContact O-CA 2.92Å; T654-G658 PolarHBondContact O-N 3.35Å; T654-R660 HydrophobicContact CG2-CG 4.23Å
655	I	59.4	Low	59.3	Low	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-43.1	176.7	-67.5	173.3	0	0	0	110.8	P513 V514 I515 I528 F533 L550 S651 L652 Y653	P513-I655 WeakPolarHBondContact O-CA 3.39Å; P513-I655 WeakPolarHBondContact O-CG2 3.15Å; V514-I655 VanDerWaalsContact CA-O 3.24Å; V514-I655 WeakPolarHBondContact CA-O 3.27Å; I515-I655 HydrophobicContact CG2-CG2 3.64Å; I528-I655 HydrophobicContact CD1-CG2 3.65Å; F533-I655 HydrophobicContact CE1-CD1 3.96Å; L550-I655 HydrophobicContact CD1-CD1 4.15Å; L550-I655 HydrophobicContact CD2-CD1 3.52Å; L550-I655 HydrophobicContact CD2-CG2 4.44Å; S651-I655 PolarHBondContact O-N 3.14Å; S651-I655 VanDerWaalsContact O-N 3.14Å; L652-I655 PolarHBondContact O-N 3.15Å; Y653-I655 VanDerWaalsContact C-N 3.28Å; Y653-I655 PolarHBondContact O-N 3.1Å
656	Q	62.1	Low	57.3	Low	43 Å²	43	56.3 Å²	56.3	20%	0.201	30%	0.297	C	S	.	.	H	α-helix	trans	-73.8	-39.6	-178.6	-74.1	172.3	-44.4	0	0	113.3	Q554 L652 Y653	Q554-Q656 VanDerWaalsContact CD-NE2 3.33Å; L652-Q656 HydrophobicContact CG-CG 4.42Å; L652-Q656 WeakPolarHBondContact O-CB 3.44Å; L652-Q656 VanDerWaalsContact O-CG 3.29Å; L652-Q656 WeakPolarHBondContact O-CG 3.42Å; L652-Q656 PolarHBondContact O-N 2.66Å; L652-Q656 PolarHBondContact O-OE1 2.83Å; Y653-Q656 PolarHBondContact O-N 3.23Å
657	S	62.2	Low	55.8	Low	44 Å²	44	57.4 Å²	57.4	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-91.1	-18.7	-175.4	66.2	0	0	0	0	113.9	Y653 S659	Y653-S657 WeakPolarHBondContact CE1-OG 3.11Å; Y653-S657 VanDerWaalsContact O-CB 3.31Å; Y653-S657 WeakPolarHBondContact O-CB 3.31Å; Y653-S657 PolarHBondContact O-N 3.09Å; Y653-S657 PolarHBondContact O-OG 3.16Å; S657-S659 PolarHBondContact O-N 3.09Å; S657-S659 WeakPolarHBondContact OG-CB 3.05Å; S657-S659 PolarHBondContact OG-N 2.92Å; S657-S659 VanDerWaalsContact OG-N 3.11Å
658	G	56.7	Low	54.8	Low	21 Å²	21	57 Å²	57	22%	0.216	31%	0.306	C	S	.	.			trans	66	6.4	-167.2	0	0	0	0	0	114.1	T654	T654-G658 VanDerWaalsContact O-CA 3.25Å; T654-G658 WeakPolarHBondContact O-CA 2.92Å; T654-G658 PolarHBondContact O-N 3.35Å
659	S	55	Low	54.5	Low	37 Å²	37	59.9 Å²	59.9	26%	0.259	32%	0.319	S	S	.	.			trans	-103.6	126.4	-175.3	-179.8	0	0	0	0	111.9	S657 K661	S657-S659 PolarHBondContact O-N 3.09Å; S657-S659 WeakPolarHBondContact OG-CB 3.05Å; S657-S659 PolarHBondContact OG-N 2.92Å; S657-S659 VanDerWaalsContact OG-N 3.11Å; S659-K661 PolarHBondContact OG-N 3.28Å
660	R	49	Very low	55.3	Low	106 Å²	106	58 Å²	58	40%	0.4	30%	0.299	S	S	.	.			trans	-81.7	-10.1	168.1	-73.4	-175.5	171.1	-171.8	-6.5	113.8	F105 N106 T654 H662 I663	F105-R660 PolarHBondContact O-NH2 2.93Å; N106-R660 VanDerWaalsContact CG-CZ 3.49Å; N106-R660 VanDerWaalsContact CG-NH2 3.25Å; N106-R660 PolarHBondContact ND2-NH1 3.32Å; N106-R660 PolarHBondContact OD1-NH1 2.93Å; N106-R660 PolarHBondContact OD1-NH2 3.19Å; T654-R660 HydrophobicContact CG2-CG 4.23Å; R660-H662 PolarHBondContact O-N 3.48Å; R660-I663 HydrophobicContact CB-CD1 4.14Å; R660-I663 HydrophobicContact CG-CD1 4.27Å; R660-I663 WeakPolarHBondContact O-CG1 3.4Å; R660-I663 PolarHBondContact O-N 2.57Å
661	K	47.2	Very low	56.5	Low	189 Å²	189	58.7 Å²	58.7	82%	0.822	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-9.5	-168.8	-71	-172.1	177.6	177.2	0	114.6	S659	S659-K661 PolarHBondContact OG-N 3.28Å
662	H	35.6	Very low	57.5	Low	99 Å²	99	60.1 Å²	60.1	46%	0.458	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	19.9	-174.5	-68	-25.3	0	0	0	114.9	Y653 R660 E664 A665	Y653-H662 HydrophobicContact CD1-CB 4.31Å; Y653-H662 HydrophobicContact CE1-CB 3.85Å; R660-H662 PolarHBondContact O-N 3.48Å; H662-E664 PolarHBondContact O-N 3Å; H662-A665 PolarHBondContact O-N 3.4Å
663	I	37.9	Very low	58.9	Low	84 Å²	84	60.1 Å²	60.1	43%	0.431	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.1	175.1	-66.3	168.9	0	0	0	111.6	R660 A665	R660-I663 HydrophobicContact CB-CD1 4.14Å; R660-I663 HydrophobicContact CG-CD1 4.27Å; R660-I663 WeakPolarHBondContact O-CG1 3.4Å; R660-I663 PolarHBondContact O-N 2.57Å; I663-A665 PolarHBondContact O-N 3.43Å
664	E	38	Very low	60.4	Low	200 Å²	200	57.4 Å²	57.4	94%	0.935	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.9	-172.4	-70.4	-178.6	166.1	0	0	115	H662	H662-E664 PolarHBondContact O-N 3Å
665	A	40.1	Very low	62	Low	57 Å²	57	58.8 Å²	58.8	47%	0.471	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-42.4	-174.5	0	0	0	0	0	112.9	H662 I663	H662-A665 PolarHBondContact O-N 3.4Å; I663-A665 PolarHBondContact O-N 3.43Å
666	Y	41.9	Very low	63.6	Low	97 Å²	97	58.8 Å²	58.8	38%	0.38	30%	0.304	S	S	.	.			trans	-147.6	107.6	-168.5	-52.6	-65	0	0	0	113.3	I598 I603	I598-Y666 HydrophobicContact CB-CE1 4.5Å; I598-Y666 HydrophobicContact CD1-CE1 4.16Å; I598-Y666 HydrophobicContact CG1-CE1 4.44Å; I598-Y666 HydrophobicContact CG2-CD1 4.19Å; I598-Y666 HydrophobicContact CG2-CE1 3.28Å; I603-Y666 HydrophobicContact CD1-CD1 3.29Å; I603-Y666 HydrophobicContact CD1-CD2 4.43Å; I603-Y666 HydrophobicContact CD1-CE1 3.51Å; I603-Y666 HydrophobicContact CD1-CG 3.84Å; I603-Y666 HydrophobicContact CG1-CD1 4.16Å; I603-Y666 HydrophobicContact CG1-CG 4.31Å
667	G	50.9	Low	65.1	Low	42 Å²	42	56.9 Å²	56.9	43%	0.433	30%	0.296	S	S	.	.			trans	-141	118.8	156.7	0	0	0	0	0	106.2	I669	G667-I669 PolarHBondContact O-N 3.08Å
668	F	60.4	Low	66.6	Low	25 Å²	25	59.2 Å²	59.2	11%	0.11	30%	0.302	C	S	.	.			trans	-59.3	137.1	163.9	50.1	-94.3	0	0	0	107.8	W549 Q606 L607 L652 D672 V673	W549-F668 HydrophobicContact CH2-CE2 4.11Å; W549-F668 HydrophobicContact CH2-CZ 4.38Å; W549-F668 AromaticContact CZ2-CE2 3.57Å; W549-F668 HydrophobicContact CZ2-CE2 3.57Å; W549-F668 AromaticContact CZ2-CZ 3.82Å; W549-F668 HydrophobicContact CZ2-CZ 3.82Å; Q606-F668 HydrophobicContact CG-CE1 3.89Å; L607-F668 HydrophobicContact CD1-CB 3.68Å; L607-F668 HydrophobicContact CD1-CD2 4.42Å; L607-F668 HydrophobicContact CD1-CG 3.97Å; L652-F668 HydrophobicContact CB-CE1 3.86Å; L652-F668 HydrophobicContact CB-CE2 4.46Å; L652-F668 HydrophobicContact CB-CZ 3.41Å; L652-F668 VanDerWaalsContact CB-CZ 3.41Å; L652-F668 HydrophobicContact CD2-CE1 4.03Å; L652-F668 HydrophobicContact CD2-CZ 3.65Å; L652-F668 HydrophobicContact CG-CZ 4.14Å; F668-D672 HydrophobicContact CB-CB 4.22Å; F668-V673 HydrophobicContact CD2-CG2 3.43Å; F668-V673 VanDerWaalsContact CD2-CG2 3.43Å; F668-V673 HydrophobicContact CE2-CG2 3.78Å; F668-V673 HydrophobicContact CG-CG2 4.43Å
669	I	67.8	Low	68.3	Low	79 Å²	79	58.7 Å²	58.7	41%	0.405	30%	0.296	S	S	.	.			trans	-91.5	165.7	-172	0	174.4	0	0	0	110.3	E88 G667 N671 D672	E88-I669 WeakPolarHBondContact OE1-CG2 3.34Å; E88-I669 WeakPolarHBondContact OE2-CB 3.43Å; E88-I669 WeakPolarHBondContact OE2-CG2 3.45Å; G667-I669 PolarHBondContact O-N 3.08Å; I669-N671 PolarHBondContact O-N 2.88Å; I669-D672 WeakPolarHBondContact CG1-OD2 3.29Å; I669-D672 PolarHBondContact N-OD2 3.14Å; I669-D672 PolarHBondContact O-N 2.96Å
670	V	84.6	Confident	70.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-46.2	-41.7	-179	167.9	0	0	0	0	111.7	F87 E88 F642 A643 V646 L674	F87-V670 HydrophobicContact CD1-CG1 3.81Å; E88-V670 HydrophobicContact CB-CB 3.88Å; E88-V670 HydrophobicContact CB-CG1 4.28Å; E88-V670 HydrophobicContact CG-CB 3.96Å; E88-V670 HydrophobicContact CG-CG2 4.23Å; F642-V670 HydrophobicContact CE1-CG1 4.25Å; A643-V670 HydrophobicContact CB-CG1 3.61Å; A643-V670 HydrophobicContact CB-CG2 4.06Å; V646-V670 HydrophobicContact CB-CG2 3.71Å; V646-V670 HydrophobicContact CG1-CG2 3.68Å; V670-L674 HydrophobicContact CG1-CD1 3.56Å; V670-L674 HydrophobicContact CG1-CG 4.43Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 WeakPolarHBondContact O-CG 3.42Å; V670-L674 PolarHBondContact O-N 3.22Å; V670-L674 VanDerWaalsContact O-N 3.09Å
671	N	89.2	Confident	72.4	Confident	22 Å²	22	52 Å²	52	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-70.6	-35.1	-178.2	-66.8	-20.2	0	0	0	113.6	N86 F87 E88 I669 V673 L674 K675 M692	N86-N671 PolarHBondContact OD1-ND2 3.33Å; F87-N671 PolarHBondContact N-OD1 3.38Å; E88-N671 WeakPolarHBondContact CB-ND2 3.36Å; E88-N671 WeakPolarHBondContact CB-OD1 3.48Å; E88-N671 PolarHBondContact N-OD1 3.18Å; I669-N671 PolarHBondContact O-N 2.88Å; N671-V673 PolarHBondContact O-N 2.8Å; N671-L674 PolarHBondContact O-N 3.28Å; N671-K675 VanDerWaalsContact O-CB 3.32Å; N671-K675 WeakPolarHBondContact O-CB 3.4Å; N671-K675 VanDerWaalsContact O-CG 3.29Å; N671-K675 WeakPolarHBondContact O-CG 3.02Å; N671-K675 PolarHBondContact O-N 3.18Å; N671-M692 HydrophobicContact CB-CE 4.25Å; N671-M692 HydrophobicContact CB-SD 3.74Å; N671-M692 VanDerWaalsContact CG-SD 3.56Å; N671-M692 WeakPolarHBondContact OD1-CE 3.48Å; N671-M692 PolarHBondContact OD1-SD 3.35Å; N671-M692 VanDerWaalsContact OD1-SD 3.35Å
672	D	86.6	Confident	74.5	Confident	47 Å²	47	48.1 Å²	48.1	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-63.8	-30.7	-179.7	-75.3	-36	0	0	0	112.4	L607 F668 I669 K675 H676	L607-D672 HydrophobicContact CD1-CB 4.06Å; F668-D672 HydrophobicContact CB-CB 4.22Å; I669-D672 WeakPolarHBondContact CG1-OD2 3.29Å; I669-D672 PolarHBondContact N-OD2 3.14Å; I669-D672 PolarHBondContact O-N 2.96Å; D672-K675 IonicContact OD1-NZ 2.74Å; D672-K675 PolarHBondContact OD1-NZ 3.16Å; D672-H676 PolarHBondContact O-CD2 3.31Å
673	V	90.5	Very high	77.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-83.6	-51.9	175.6	-173	0	0	0	0	110.7	L607 I611 L614 F642 F668 N671 K675 H676	L607-V673 HydrophobicContact CD1-CG2 4.33Å; I611-V673 HydrophobicContact CG1-CG1 4.31Å; L614-V673 HydrophobicContact CB-CG1 4.02Å; L614-V673 HydrophobicContact CD2-CG1 3.58Å; L614-V673 HydrophobicContact CG-CG1 4.44Å; F642-V673 HydrophobicContact CE1-CB 4.33Å; F642-V673 HydrophobicContact CE2-CG1 4.4Å; F642-V673 HydrophobicContact CZ-CB 3.77Å; F642-V673 HydrophobicContact CZ-CG1 3.91Å; F642-V673 HydrophobicContact CZ-CG2 4.04Å; F668-V673 HydrophobicContact CD2-CG2 3.43Å; F668-V673 VanDerWaalsContact CD2-CG2 3.43Å; F668-V673 HydrophobicContact CE2-CG2 3.78Å; F668-V673 HydrophobicContact CG-CG2 4.43Å; N671-V673 PolarHBondContact O-N 2.8Å; V673-K675 PolarHBondContact O-N 3.18Å; V673-H676 PolarHBondContact O-N 2.95Å
674	L	93.8	Very high	79.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-29.5	-169.4	-71.6	175.9	0	0	0	114.5	F87 L614 F639 F642 V670 N671 H676 S677 F680 M692	F87-L674 HydrophobicContact CD1-CD1 3.27Å; F87-L674 HydrophobicContact CE1-CD1 3.61Å; F87-L674 HydrophobicContact CG-CD1 4.25Å; L614-L674 HydrophobicContact CD2-CD2 3.56Å; F639-L674 HydrophobicContact CB-CD2 4.48Å; F639-L674 HydrophobicContact CD1-CD2 3.46Å; F639-L674 VanDerWaalsContact CD1-CD2 3.46Å; F639-L674 HydrophobicContact CE1-CD2 4.09Å; F639-L674 HydrophobicContact CG-CD2 4.29Å; F642-L674 HydrophobicContact CD1-CD1 3.96Å; F642-L674 HydrophobicContact CD1-CD2 3.82Å; F642-L674 HydrophobicContact CD1-CG 3.91Å; F642-L674 HydrophobicContact CE1-CD1 3.93Å; F642-L674 HydrophobicContact CE1-CD2 3.95Å; F642-L674 HydrophobicContact CE1-CG 3.63Å; V670-L674 HydrophobicContact CG1-CD1 3.56Å; V670-L674 HydrophobicContact CG1-CG 4.43Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 WeakPolarHBondContact O-CG 3.42Å; V670-L674 PolarHBondContact O-N 3.22Å; V670-L674 VanDerWaalsContact O-N 3.09Å; N671-L674 PolarHBondContact O-N 3.28Å; L674-H676 PolarHBondContact O-N 3.33Å; L674-S677 WeakPolarHBondContact O-CB 3.25Å; L674-S677 PolarHBondContact O-N 2.89Å; L674-F680 HydrophobicContact CB-CD1 4.36Å; L674-F680 HydrophobicContact CB-CD2 4.32Å; L674-F680 HydrophobicContact CB-CG 4.2Å; L674-F680 HydrophobicContact CD1-CD2 4.02Å; L674-F680 HydrophobicContact CD1-CE2 3.94Å; L674-F680 HydrophobicContact CD2-CB 4.3Å; L674-F680 HydrophobicContact CD2-CD2 3.97Å; L674-F680 HydrophobicContact CD2-CG 4.23Å; L674-F680 HydrophobicContact CG-CD2 4.34Å; L674-M692 HydrophobicContact CB-CE 3.65Å
675	K	92.7	Very high	82.4	Confident	41 Å²	41	38.3 Å²	38.3	18%	0.178	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.4	177.4	72.7	-168	-179.5	-162.7	0	112.1	N671 D672 V673 P694 K697	N671-K675 VanDerWaalsContact O-CB 3.32Å; N671-K675 WeakPolarHBondContact O-CB 3.4Å; N671-K675 VanDerWaalsContact O-CG 3.29Å; N671-K675 WeakPolarHBondContact O-CG 3.02Å; N671-K675 PolarHBondContact O-N 3.18Å; D672-K675 IonicContact OD1-NZ 2.74Å; D672-K675 PolarHBondContact OD1-NZ 3.16Å; V673-K675 PolarHBondContact O-N 3.18Å; K675-P694 HydrophobicContact CB-CG 4.5Å; K675-P694 VanDerWaalsContact O-CD 3.29Å; K675-P694 WeakPolarHBondContact O-CD 3.29Å; K675-K697 PolarHBondContact O-NZ 2.8Å
676	H	93.2	Very high	85	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.5	177.3	-61.6	-58.8	0	0	0	114	Q593 I611 M615 D672 V673 L674 Q678 K697 C698 I699	Q593-H676 PolarHBondContact OE1-CE1 2.95Å; Q593-H676 VanDerWaalsContact OE1-CE1 3.22Å; I611-H676 WeakPolarHBondContact CD1-CD2 3.35Å; I611-H676 HydrophobicContact CG2-CB 3.77Å; M615-H676 HydrophobicContact CE-CB 3.85Å; M615-H676 WeakPolarHBondContact CE-O 3.28Å; D672-H676 PolarHBondContact O-CD2 3.31Å; V673-H676 PolarHBondContact O-N 2.95Å; L674-H676 PolarHBondContact O-N 3.33Å; H676-Q678 PolarHBondContact O-N 3.26Å; H676-K697 WeakPolarHBondContact O-CD 3.25Å; H676-C698 PolarHBondContact ND1-N 2.69Å; H676-C698 VanDerWaalsContact ND1-N 3.19Å; H676-I699 HydrophobicContact CB-CG2 4.39Å
677	S	94.3	Very high	87.4	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.021	20%	0.201	C	C	.	.			trans	-77.5	116.8	-178.3	175.7	0	0	0	0	111.5	L674 G679 F680 S681 K697	L674-S677 WeakPolarHBondContact O-CB 3.25Å; L674-S677 PolarHBondContact O-N 2.89Å; S677-G679 VanDerWaalsContact C-N 3.34Å; S677-G679 PolarHBondContact OG-N 3.3Å; S677-F680 PolarHBondContact OG-N 3Å; S677-S681 PolarHBondContact O-N 3.4Å; S677-S681 PolarHBondContact O-OG 3.01Å; S677-K697 PolarHBondContact O-NZ 3.35Å; S677-K697 VanDerWaalsContact O-NZ 3.16Å
678	Q	92.9	Very high	89.5	Confident	93 Å²	93	44.2 Å²	44.2	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-39.4	170.8	179.1	59.3	27	0	0	111.1	H676 F680 S681 E682	H676-Q678 PolarHBondContact O-N 3.26Å; Q678-F680 VanDerWaalsContact C-N 3.27Å; Q678-F680 PolarHBondContact O-N 3.31Å; Q678-S681 PolarHBondContact O-N 2.05Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.5Å; Q678-E682 PolarHBondContact NE2-OE1 2.96Å; Q678-E682 WeakPolarHBondContact O-CG 3.07Å; Q678-E682 PolarHBondContact O-N 3.13Å
679	G	92.6	Very high	91	Very high	9 Å²	9	45.6 Å²	45.6	9%	0.093	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-34.7	177.3	0	0	0	0	0	113.3	F639 S677 A683	F639-G679 VanDerWaalsContact CE2-C 3.49Å; F639-G679 WeakPolarHBondContact CE2-O 3.48Å; S677-G679 VanDerWaalsContact C-N 3.34Å; S677-G679 PolarHBondContact OG-N 3.3Å; G679-A683 VanDerWaalsContact O-CB 3.28Å; G679-A683 WeakPolarHBondContact O-CB 3.47Å; G679-A683 PolarHBondContact O-N 3.22Å
680	F	95.4	Very high	92.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-51.5	173.2	171.8	-93.6	0	0	0	110.8	I83 F87 F639 L674 S677 Q678 E682 A683 Y684 M692	I83-F680 HydrophobicContact CG2-CZ 4.31Å; F87-F680 HydrophobicContact CB-CE2 4.35Å; F87-F680 HydrophobicContact CB-CZ 3.82Å; F87-F680 AromaticContact CD1-CE2 3.78Å; F87-F680 HydrophobicContact CD1-CE2 3.78Å; F87-F680 HydrophobicContact CD1-CZ 4.14Å; F87-F680 AromaticContact CD2-CE2 3.75Å; F87-F680 HydrophobicContact CD2-CE2 3.75Å; F87-F680 AromaticContact CD2-CZ 3.69Å; F87-F680 HydrophobicContact CD2-CZ 3.69Å; F87-F680 AromaticContact CE1-CE2 3.86Å; F87-F680 HydrophobicContact CE1-CE2 3.86Å; F87-F680 AromaticContact CE2-CE2 3.84Å; F87-F680 HydrophobicContact CE2-CE2 3.84Å; F87-F680 HydrophobicContact CE2-CZ 4.22Å; F87-F680 AromaticContact CG-CE2 3.68Å; F87-F680 HydrophobicContact CG-CE2 3.68Å; F87-F680 AromaticContact CG-CZ 3.6Å; F87-F680 HydrophobicContact CG-CZ 3.6Å; F87-F680 AromaticContact CZ-CE2 3.89Å; F87-F680 HydrophobicContact CZ-CE2 3.89Å; F639-F680 HydrophobicContact CB-CD2 3.96Å; F639-F680 HydrophobicContact CD1-CB 4.08Å; F639-F680 HydrophobicContact CD1-CD2 4.17Å; F639-F680 HydrophobicContact CD2-CB 4.24Å; F639-F680 HydrophobicContact CD2-CD2 4.14Å; F639-F680 HydrophobicContact CE1-CB 3.89Å; F639-F680 VanDerWaalsContact CE2-CA 3.44Å; F639-F680 HydrophobicContact CE2-CB 4.08Å; F639-F680 HydrophobicContact CG-CB 4.26Å; F639-F680 AromaticContact CG-CD2 3.82Å; F639-F680 HydrophobicContact CG-CD2 3.82Å; F639-F680 HydrophobicContact CZ-CB 3.91Å; L674-F680 HydrophobicContact CB-CD1 4.36Å; L674-F680 HydrophobicContact CB-CD2 4.32Å; L674-F680 HydrophobicContact CB-CG 4.2Å; L674-F680 HydrophobicContact CD1-CD2 4.02Å; L674-F680 HydrophobicContact CD1-CE2 3.94Å; L674-F680 HydrophobicContact CD2-CB 4.3Å; L674-F680 HydrophobicContact CD2-CD2 3.97Å; L674-F680 HydrophobicContact CD2-CG 4.23Å; L674-F680 HydrophobicContact CG-CD2 4.34Å; S677-F680 PolarHBondContact OG-N 3Å; Q678-F680 VanDerWaalsContact C-N 3.27Å; Q678-F680 PolarHBondContact O-N 3.31Å; F680-E682 PolarHBondContact O-N 3.39Å; F680-A683 PolarHBondContact O-N 2.81Å; F680-A683 VanDerWaalsContact O-N 3.16Å; F680-Y684 AromaticContact CD2-CD2 3.6Å; F680-Y684 HydrophobicContact CD2-CD2 3.6Å; F680-Y684 AromaticContact CD2-CE2 3.82Å; F680-Y684 HydrophobicContact CD2-CE2 3.82Å; F680-Y684 AromaticContact CE2-CD2 3.37Å; F680-Y684 HydrophobicContact CE2-CD2 3.37Å; F680-Y684 AromaticContact CE2-CE2 3.58Å; F680-Y684 HydrophobicContact CE2-CE2 3.58Å; F680-Y684 HydrophobicContact CE2-CG 4.2Å; F680-Y684 HydrophobicContact CG-CD2 4.36Å; F680-Y684 AromaticContact CZ-CD2 3.94Å; F680-Y684 HydrophobicContact CZ-CD2 3.94Å; F680-Y684 HydrophobicContact CZ-CE2 4.49Å; F680-Y684 HydrophobicContact CZ-CG 4.38Å; F680-Y684 PolarHBondContact O-N 3.38Å; F680-M692 HydrophobicContact CD1-CE 4.5Å; F680-M692 HydrophobicContact CE1-CB 3.89Å; F680-M692 HydrophobicContact CE1-CE 3.84Å; F680-M692 HydrophobicContact CZ-CE 4.06Å
681	S	94.7	Very high	92.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-35	-179.5	-55.2	0	0	0	0	112	S677 Q678 Q685 C686 M692 N693 K697	S677-S681 PolarHBondContact O-N 3.4Å; S677-S681 PolarHBondContact O-OG 3.01Å; Q678-S681 PolarHBondContact O-N 2.05Å; S681-Q685 CarbonylContact O-C 3.56Å; S681-Q685 VanDerWaalsContact O-CA 3.29Å; S681-Q685 WeakPolarHBondContact O-CA 3.22Å; S681-Q685 PolarHBondContact O-N 2.91Å; S681-C686 PolarHBondContact O-N 2.98Å; S681-M692 PolarHBondContact OG-O 3.37Å; S681-N693 WeakPolarHBondContact OG-CB 3.38Å; S681-N693 VanDerWaalsContact OG-CG 3.27Å; S681-N693 PolarHBondContact OG-OD1 3.2Å; S681-K697 PolarHBondContact OG-NZ 2.8Å
682	E	92.2	Very high	92.5	Very high	108 Å²	108	47.3 Å²	47.3	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-71.9	-46.6	173.9	-72.7	169.8	-168.6	0	0	112.9	Q678 F680 Y684 Q685	Q678-E682 WeakPolarHBondContact CG-OE1 3.5Å; Q678-E682 PolarHBondContact NE2-OE1 2.96Å; Q678-E682 WeakPolarHBondContact O-CG 3.07Å; Q678-E682 PolarHBondContact O-N 3.13Å; F680-E682 PolarHBondContact O-N 3.39Å; E682-Y684 PolarHBondContact O-N 3.4Å; E682-Q685 PolarHBondContact O-N 3.34Å
683	A	91.8	Very high	93	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-32.6	-178.2	0	0	0	0	0	112.7	K635 K636 F639 G679 F680	K635-A683 HydrophobicContact CB-CB 3.95Å; K636-A683 WeakPolarHBondContact CE-O 3.16Å; K636-A683 HydrophobicContact CG-CB 4.4Å; F639-A683 HydrophobicContact CD2-CB 4.21Å; F639-A683 HydrophobicContact CE2-CB 4.13Å; G679-A683 VanDerWaalsContact O-CB 3.28Å; G679-A683 WeakPolarHBondContact O-CB 3.47Å; G679-A683 PolarHBondContact O-N 3.22Å; F680-A683 PolarHBondContact O-N 2.81Å; F680-A683 VanDerWaalsContact O-N 3.16Å
684	Y	92.8	Very high	93	Very high	25 Å²	25	47 Å²	47	10%	0.098	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	5.2	179.3	-70.4	-81.7	0	0	0	114.3	I83 F87 K636 F639 F680 E682 C686	I83-Y684 HydrophobicContact CD1-CD1 3.97Å; I83-Y684 HydrophobicContact CD1-CE1 4.22Å; I83-Y684 HydrophobicContact CG2-CD1 3.62Å; I83-Y684 HydrophobicContact CG2-CE1 4.4Å; I83-Y684 HydrophobicContact CG2-CG 3.75Å; F87-Y684 HydrophobicContact CE2-CD1 4.49Å; F87-Y684 AromaticContact CE2-CE1 3.91Å; F87-Y684 HydrophobicContact CE2-CE1 3.91Å; F87-Y684 HydrophobicContact CE2-CE2 4.03Å; F87-Y684 AromaticContact CE2-CZ 3.65Å; F87-Y684 HydrophobicContact CZ-CE1 4.49Å; F87-Y684 HydrophobicContact CZ-CE2 4.05Å; F87-Y684 AromaticContact CZ-CZ 3.79Å; K636-Y684 HydrophobicContact CB-CE1 4.46Å; K636-Y684 HydrophobicContact CD-CE1 4.29Å; K636-Y684 HydrophobicContact CG-CD1 4.47Å; K636-Y684 HydrophobicContact CG-CE1 4.01Å; K636-Y684 HydrophobicContact CG-CE2 4.22Å; K636-Y684 PolarHBondContact O-OH 3.19Å; K636-Y684 VanDerWaalsContact O-OH 3.12Å; F639-Y684 HydrophobicContact CB-CE2 4.08Å; F639-Y684 HydrophobicContact CD2-CE2 4.31Å; F680-Y684 AromaticContact CD2-CD2 3.6Å; F680-Y684 HydrophobicContact CD2-CD2 3.6Å; F680-Y684 AromaticContact CD2-CE2 3.82Å; F680-Y684 HydrophobicContact CD2-CE2 3.82Å; F680-Y684 AromaticContact CE2-CD2 3.37Å; F680-Y684 HydrophobicContact CE2-CD2 3.37Å; F680-Y684 AromaticContact CE2-CE2 3.58Å; F680-Y684 HydrophobicContact CE2-CE2 3.58Å; F680-Y684 HydrophobicContact CE2-CG 4.2Å; F680-Y684 HydrophobicContact CG-CD2 4.36Å; F680-Y684 AromaticContact CZ-CD2 3.94Å; F680-Y684 HydrophobicContact CZ-CD2 3.94Å; F680-Y684 HydrophobicContact CZ-CE2 4.49Å; F680-Y684 HydrophobicContact CZ-CG 4.38Å; F680-Y684 PolarHBondContact O-N 3.38Å; E682-Y684 PolarHBondContact O-N 3.4Å; Y684-C686 VanDerWaalsContact C-N 3.29Å; Y684-C686 PolarHBondContact O-N 3Å
685	Q	92.4	Very high	93	Very high	150 Å²	150	53 Å²	53	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	37	176.6	-57.7	177.8	-39.9	0	0	114.4	S681 E682 K687	S681-Q685 CarbonylContact O-C 3.56Å; S681-Q685 VanDerWaalsContact O-CA 3.29Å; S681-Q685 WeakPolarHBondContact O-CA 3.22Å; S681-Q685 PolarHBondContact O-N 2.91Å; E682-Q685 PolarHBondContact O-N 3.34Å; Q685-K687 PolarHBondContact O-N 2.04Å
686	C	94.3	Very high	92.8	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.054	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-71.7	126.3	177.8	-63.1	0	0	0	0	111.6	C84 S681 Y684 N693	C84-C686 WeakPolarHBondContact CA-SG 2.88Å; C84-C686 HydrophobicContact CB-CB 3.74Å; C84-C686 WeakPolarHBondContact CB-SG 3.28Å; C84-C686 WeakPolarHBondContact SG-CA 2.94Å; C84-C686 WeakPolarHBondContact SG-CB 3.38Å; C84-C686 CovalentContact SG-SG 2.05Å; C84-C686 PolarHBondContact SG-SG 2.91Å; S681-C686 PolarHBondContact O-N 2.98Å; Y684-C686 VanDerWaalsContact C-N 3.29Å; Y684-C686 PolarHBondContact O-N 3Å; C686-N693 HydrophobicContact CB-CB 3.89Å; C686-N693 PolarHBondContact O-ND2 3.25Å
687	K	93.1	Very high	92.8	Very high	177 Å²	177	58.9 Å²	58.9	77%	0.77	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-66.4	141.7	179	-64.4	178.3	-176.7	172.8	0	111	Q685 G689 S690	Q685-K687 PolarHBondContact O-N 2.04Å; K687-G689 PolarHBondContact O-N 3.04Å; K687-S690 WeakPolarHBondContact O-CB 3.47Å; K687-S690 PolarHBondContact O-N 3.47Å; K687-S690 VanDerWaalsContact O-N 3.09Å; K687-S690 PolarHBondContact O-OG 3.48Å
688	I	94.6	Very high	92.5	Very high	134 Å²	134	58.9 Å²	58.9	69%	0.687	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	131.5	173.1	-63.9	171.7	0	0	0	109	N693 V695	I688-N693 PolarHBondContact N-ND2 3.19Å; I688-V695 HydrophobicContact CG2-CG2 3.91Å
689	G	91.3	Very high	92.2	Very high	54 Å²	54	58 Å²	58	56%	0.557	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-8.5	-176.2	0	0	0	0	0	114.8	K687 N693	K687-G689 PolarHBondContact O-N 3.04Å; G689-N693 PolarHBondContact N-O 3.36Å
690	S	91.8	Very high	91.6	Very high	24 Å²	24	59 Å²	59	17%	0.168	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-68.7	161.8	166.5	59	0	0	0	0	111.3	K687 M692 N693	K687-S690 WeakPolarHBondContact O-CB 3.47Å; K687-S690 PolarHBondContact O-N 3.47Å; K687-S690 VanDerWaalsContact O-N 3.09Å; K687-S690 PolarHBondContact O-OG 3.48Å; S690-M692 VanDerWaalsContact C-N 3.27Å; S690-M692 PolarHBondContact O-N 2.98Å; S690-N693 CarbonylContact O-C 3.07Å; S690-N693 PolarHBondContact O-N 2.98Å; S690-N693 WeakPolarHBondContact OG-CB 2.91Å; S690-N693 PolarHBondContact OG-N 2.04Å
691	I	89.8	Confident	91.4	Very high	113 Å²	113	62 Å²	62	58%	0.579	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-42.5	-178.4	-63.8	174	0	0	0	111	N693	I691-N693 VanDerWaalsContact C-N 3.33Å
692	M	92.7	Very high	91.2	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.2	179.3	-59.8	-63.7	-61.4	0	0	114	C84 F87 N671 L674 F680 S681 S690	C84-M692 VanDerWaalsContact O-CB 3.25Å; C84-M692 WeakPolarHBondContact O-CB 3.05Å; C84-M692 WeakPolarHBondContact O-CG 3.35Å; C84-M692 PolarHBondContact O-N 2.85Å; F87-M692 HydrophobicContact CB-CE 3.68Å; F87-M692 HydrophobicContact CB-SD 4.42Å; N671-M692 HydrophobicContact CB-CE 4.25Å; N671-M692 HydrophobicContact CB-SD 3.74Å; N671-M692 VanDerWaalsContact CG-SD 3.56Å; N671-M692 WeakPolarHBondContact OD1-CE 3.48Å; N671-M692 PolarHBondContact OD1-SD 3.35Å; N671-M692 VanDerWaalsContact OD1-SD 3.35Å; L674-M692 HydrophobicContact CB-CE 3.65Å; F680-M692 HydrophobicContact CD1-CE 4.5Å; F680-M692 HydrophobicContact CE1-CB 3.89Å; F680-M692 HydrophobicContact CE1-CE 3.84Å; F680-M692 HydrophobicContact CZ-CE 4.06Å; S681-M692 PolarHBondContact OG-O 3.37Å; S690-M692 VanDerWaalsContact C-N 3.27Å; S690-M692 PolarHBondContact O-N 2.98Å
693	N	95.1	Very high	91.1	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.048	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-141.8	65.2	170.4	-169.7	16	0	0	0	111.2	S681 C686 I688 G689 S690 I691 K697	S681-N693 WeakPolarHBondContact OG-CB 3.38Å; S681-N693 VanDerWaalsContact OG-CG 3.27Å; S681-N693 PolarHBondContact OG-OD1 3.2Å; C686-N693 HydrophobicContact CB-CB 3.89Å; C686-N693 PolarHBondContact O-ND2 3.25Å; I688-N693 PolarHBondContact N-ND2 3.19Å; G689-N693 PolarHBondContact N-O 3.36Å; S690-N693 CarbonylContact O-C 3.07Å; S690-N693 PolarHBondContact O-N 2.98Å; S690-N693 WeakPolarHBondContact OG-CB 2.91Å; S690-N693 PolarHBondContact OG-N 2.04Å; I691-N693 VanDerWaalsContact C-N 3.33Å; N693-K697 WeakPolarHBondContact OD1-CE 3.44Å; N693-K697 PolarHBondContact OD1-NZ 3.44Å
694	P	92.5	Very high	91.1	Very high	32 Å²	32	66.3 Å²	66.3	21%	0.208	34%	0.344	C	S	.	.			trans	-64.1	151.4	179.7	28.9	-35.3	0	0	0	110.7	K675 R696 K697	K675-P694 HydrophobicContact CB-CG 4.5Å; K675-P694 VanDerWaalsContact O-CD 3.29Å; K675-P694 WeakPolarHBondContact O-CD 3.29Å; P694-R696 PolarHBondContact O-N 3.37Å; P694-K697 HydrophobicContact CG-CG 4.28Å
695	V	92.1	Very high	91	Very high	125 Å²	125	68.9 Å²	68.9	76%	0.758	36%	0.359	S	S	*	.	S	Bend	trans	-59	-38.7	177.8	-178.6	0	0	0	0	111.3	I688	I688-V695 HydrophobicContact CG2-CG2 3.91Å
696	R	89.9	Confident	90.9	Very high	131 Å²	131	63.5 Å²	63.5	49%	0.494	34%	0.336	S	S	.	.	S	Bend	trans	-106.3	104.1	178.9	-175.5	176.6	178.3	-166.6	-4.7	110.5	E592 Q593 P694	E592-R696 IonicContact OE1-NH2 2.67Å; E592-R696 IonicContact OE2-CZ 3.99Å; E592-R696 IonicContact OE2-NH1 3Å; E592-R696 PolarHBondContact OE2-NH1 3.21Å; E592-R696 IonicContact OE2-NH2 3.21Å; E592-R696 PolarHBondContact OE2-NH2 3.49Å; Q593-R696 PolarHBondContact NE2-O 3.32Å; P694-R696 PolarHBondContact O-N 3.37Å
697	K	92.2	Very high	90.6	Very high	36 Å²	36	67.4 Å²	67.4	16%	0.157	36%	0.356	C	S	.	.			trans	-96.4	135	172.5	-64.3	170.4	177.9	-86.1	0	110	K675 H676 S677 S681 N693 P694 I699	K675-K697 PolarHBondContact O-NZ 2.8Å; H676-K697 WeakPolarHBondContact O-CD 3.25Å; S677-K697 PolarHBondContact O-NZ 3.35Å; S677-K697 VanDerWaalsContact O-NZ 3.16Å; S681-K697 PolarHBondContact OG-NZ 2.8Å; N693-K697 WeakPolarHBondContact OD1-CE 3.44Å; N693-K697 PolarHBondContact OD1-NZ 3.44Å; P694-K697 HydrophobicContact CG-CG 4.28Å; K697-I699 HydrophobicContact CB-CG2 3.96Å; K697-I699 PolarHBondContact O-N 2.74Å
698	C	88.6	Confident	90.5	Very high	2 Å²	2	59 Å²	59	1%	0.014	33%	0.325	C	S	.	.			trans	-92.6	90	177.5	-57.3	0	0	0	0	110.3	Q586 C589 L590 Q593 H676	Q586-C698 PolarHBondContact NE2-O 3.32Å; Q586-C698 VanDerWaalsContact NE2-O 3.09Å; C589-C698 HydrophobicContact CB-CB 3.59Å; C589-C698 WeakPolarHBondContact CB-SG 3.03Å; C589-C698 PolarHBondContact O-SG 3.09Å; C589-C698 WeakPolarHBondContact SG-CA 3.37Å; C589-C698 WeakPolarHBondContact SG-CB 3.25Å; C589-C698 CovalentContact SG-SG 2.04Å; C589-C698 PolarHBondContact SG-SG 3.07Å; L590-C698 HydrophobicContact CD2-CB 3.56Å; L590-C698 HydrophobicContact CG-CB 3.8Å; Q593-C698 VanDerWaalsContact CD-SG 3.57Å; Q593-C698 PolarHBondContact NE2-SG 2.76Å; Q593-C698 VanDerWaalsContact NE2-SG 3.36Å; H676-C698 PolarHBondContact ND1-N 2.69Å; H676-C698 VanDerWaalsContact ND1-N 3.19Å
699	I	86.1	Confident	90.1	Very high	74 Å²	74	52.8 Å²	52.8	38%	0.379	29%	0.294	S	S	.	.			trans	-121.4	148.3	-173.9	69.3	178.3	0	0	0	110.9	M615 H676 K697	M615-I699 HydrophobicContact CE-CB 4.2Å; M615-I699 HydrophobicContact CE-CG2 3.34Å; M615-I699 HydrophobicContact SD-CB 3.99Å; M615-I699 HydrophobicContact SD-CG2 3.81Å; H676-I699 HydrophobicContact CB-CG2 4.39Å; K697-I699 HydrophobicContact CB-CG2 3.96Å; K697-I699 PolarHBondContact O-N 2.74Å
700	L	79.3	Confident	90	Very high	32 Å²	32	52.6 Å²	52.6	17%	0.168	27%	0.271	C	S	.	.			trans	-69.8	0	171	-179.1	66	0	0	0	112.4	L425 L429 R432 I556 P582 F583	L425-L700 HydrophobicContact CD1-CD2 4.41Å; L429-L700 HydrophobicContact CD2-CD2 4.45Å; R432-L700 VanDerWaalsContact CZ-O 3.31Å; R432-L700 PolarHBondContact NE-O 2.67Å; R432-L700 PolarHBondContact NE-OXT 3.16Å; R432-L700 PolarHBondContact NH2-O 3.36Å; I556-L700 HydrophobicContact CD1-CD2 4.1Å; P582-L700 HydrophobicContact CB-CD1 3.66Å; F583-L700 HydrophobicContact CD1-CD1 3.49Å; F583-L700 VanDerWaalsContact CD1-CD1 3.49Å; F583-L700 HydrophobicContact CD1-CD2 4.12Å; F583-L700 HydrophobicContact CD1-CG 4.42Å; F583-L700 HydrophobicContact CD2-CD1 4.13Å; F583-L700 HydrophobicContact CE1-CD1 3.6Å; F583-L700 HydrophobicContact CE1-CD2 3.39Å; F583-L700 HydrophobicContact CE1-CG 4.13Å; F583-L700 HydrophobicContact CE2-CD1 4.2Å; F583-L700 HydrophobicContact CG-CD1 3.79Å; F583-L700 HydrophobicContact CZ-CD1 3.96Å; F583-L700 HydrophobicContact CZ-CD2 3.68Å; F583-L700 HydrophobicContact CZ-CG 4.47Å

Retrieved 700 of 700 residues in 2143.8 ms (Link to these results)

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