A0A3Q0KK20_SCHMA Loading...

Zuotin related factor

AlphaFold DB , UniProt , Accession A0A3Q0KK20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 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	34.5	Very low	39.8	Very low	239 Å²	239	118.1 Å²	118.1	100%	1.177	61%	0.608	S	S	*	*				0	112.2	0	-71.2	178.8	-170.2	0	0	105.2	L3	M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.13Å
2	E	30.8	Very low	40.7	Very low	186 Å²	186	109.9 Å²	109.9	87%	0.869	57%	0.566	S	S	*	*			trans	-55.5	120	168.3	-85.1	173	148.2	0	0	107.1	V4	E2-V4 PolarHBondContact O-N 3.5Å
3	L	29.1	Very low	41.6	Very low	144 Å²	144	106.2 Å²	106.2	75%	0.754	56%	0.561	S	S	*	*			trans	-64.2	97	167.7	-83	154.9	0	0	0	105.2	M1 V5	M1-L3 PolarHBondContact O-N 2.86Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-V5 PolarHBondContact O-N 2.92Å
4	V	35.6	Very low	42.5	Very low	128 Å²	128	104.7 Å²	104.7	78%	0.776	55%	0.553	S	S	*	*			trans	-63.6	91.4	162.3	-178.7	0	0	0	0	104.4	E2 Y6	E2-V4 PolarHBondContact O-N 3.5Å; V4-Y6 PolarHBondContact O-N 2.98Å
5	V	36.2	Very low	43.2	Very low	98 Å²	98	101.1 Å²	101.1	59%	0.594	53%	0.534	S	S	*	.			trans	-56.4	113.2	167.8	178.6	0	0	0	0	103.4	L3 E7	L3-V5 PolarHBondContact O-N 2.92Å; V5-E7 PolarHBondContact O-N 3.13Å
6	Y	41.2	Very low	43.8	Very low	73 Å²	73	100.4 Å²	100.4	29%	0.286	52%	0.522	S	S	.	.			trans	-65.9	81.9	172.2	-167.8	-92.7	0	0	0	105.9	V4 V8 L116	V4-Y6 PolarHBondContact O-N 2.98Å; Y6-V8 PolarHBondContact O-N 3.38Å; Y6-L116 HydrophobicContact CD2-CD1 4.39Å; Y6-L116 HydrophobicContact CE2-CD1 4.28Å
7	E	42.3	Very low	44.5	Very low	164 Å²	164	103.4 Å²	103.4	77%	0.766	53%	0.532	S	S	*	.			trans	-57.1	125.4	155.4	-74.8	-164.9	165.9	0	0	104.8	V5 H9	V5-E7 PolarHBondContact O-N 3.13Å; E7-H9 WeakPolarHBondContact O-CA 3.31Å; E7-H9 PolarHBondContact O-N 2.89Å
8	V	48.5	Very low	45	Very low	46 Å²	46	105.6 Å²	105.6	28%	0.279	54%	0.544	S	S	.	.			trans	-36.6	107.9	171	-160.9	0	0	0	0	106.2	Y6 I12	Y6-V8 PolarHBondContact O-N 3.38Å; V8-I12 HydrophobicContact CB-CB 4.45Å; V8-I12 HydrophobicContact CB-CG2 4.48Å; V8-I12 HydrophobicContact CG1-CB 3.43Å; V8-I12 VanDerWaalsContact CG1-CB 3.43Å; V8-I12 HydrophobicContact CG1-CD1 3.4Å; V8-I12 VanDerWaalsContact CG1-CD1 3.4Å; V8-I12 HydrophobicContact CG1-CG1 3.95Å; V8-I12 HydrophobicContact CG1-CG2 3.21Å
9	H	45.5	Very low	45.6	Very low	44 Å²	44	104.6 Å²	104.6	20%	0.204	55%	0.547	C	S	.	.			trans	-40.5	143.9	-164.2	-171.2	-93.9	0	0	0	110.2	E7 H11 I12 Q158	E7-H9 WeakPolarHBondContact O-CA 3.31Å; E7-H9 PolarHBondContact O-N 2.89Å; H9-H11 AromaticContact CE1-CD2 3.29Å; H9-H11 PolarHBondContact CE1-CD2 3.43Å; H9-H11 AromaticContact CE1-CG 3.81Å; H9-H11 AromaticContact CE1-NE2 3.95Å; H9-H11 WeakPolarHBondContact ND1-CB 3.26Å; H9-H11 AromaticContact ND1-CD2 3.33Å; H9-H11 PolarHBondContact ND1-CD2 3.38Å; H9-H11 VanDerWaalsContact ND1-CD2 3.33Å; H9-H11 AromaticContact ND1-CG 3.52Å; H9-H11 PolarHBondContact ND1-N 3.02Å; H9-H11 CarbonylContact O-C 3.44Å; H9-H11 PolarHBondContact O-N 2.98Å; H9-I12 WeakPolarHBondContact O-CA 3.45Å; H9-I12 WeakPolarHBondContact O-CB 3.48Å; H9-I12 PolarHBondContact O-N 3.2Å; H9-Q158 WeakPolarHBondContact NE2-CG 3.34Å
10	P	46.7	Very low	45.7	Very low	88 Å²	88	101.8 Å²	101.8	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-49.3	-29.2	-177.5	-27.9	33	0	0	0	113.4	I12 A13 L14	P10-I12 VanDerWaalsContact C-N 3.34Å; P10-I12 PolarHBondContact O-N 3.35Å; P10-A13 PolarHBondContact O-N 3.41Å; P10-L14 WeakPolarHBondContact O-CG 3.26Å; P10-L14 PolarHBondContact O-N 3.07Å
11	H	47.3	Very low	45.8	Very low	89 Å²	89	99.9 Å²	99.9	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-63.2	-30.6	172.5	-73.5	-127.5	0	0	0	114.4	H9 L14 L15	H9-H11 AromaticContact CE1-CD2 3.29Å; H9-H11 PolarHBondContact CE1-CD2 3.43Å; H9-H11 AromaticContact CE1-CG 3.81Å; H9-H11 AromaticContact CE1-NE2 3.95Å; H9-H11 WeakPolarHBondContact ND1-CB 3.26Å; H9-H11 AromaticContact ND1-CD2 3.33Å; H9-H11 PolarHBondContact ND1-CD2 3.38Å; H9-H11 VanDerWaalsContact ND1-CD2 3.33Å; H9-H11 AromaticContact ND1-CG 3.52Å; H9-H11 PolarHBondContact ND1-N 3.02Å; H9-H11 CarbonylContact O-C 3.44Å; H9-H11 PolarHBondContact O-N 2.98Å; H11-L14 CarbonylContact O-C 3.5Å; H11-L14 PolarHBondContact O-N 2.9Å; H11-L15 WeakPolarHBondContact O-CA 3.31Å; H11-L15 WeakPolarHBondContact O-CB 3.45Å; H11-L15 WeakPolarHBondContact O-CD1 3.29Å; H11-L15 WeakPolarHBondContact O-CG 3.39Å; H11-L15 PolarHBondContact O-N 3.41Å
12	I	50.6	Low	46.3	Very low	20 Å²	20	94.3 Å²	94.3	10%	0.103	51%	0.512	C	S	.	.	H	α-helix	trans	-73.4	-37.5	175	-62.2	171.1	0	0	0	111	V8 H9 P10 L14 L15 R16 F61 L62	V8-I12 HydrophobicContact CB-CB 4.45Å; V8-I12 HydrophobicContact CB-CG2 4.48Å; V8-I12 HydrophobicContact CG1-CB 3.43Å; V8-I12 VanDerWaalsContact CG1-CB 3.43Å; V8-I12 HydrophobicContact CG1-CD1 3.4Å; V8-I12 VanDerWaalsContact CG1-CD1 3.4Å; V8-I12 HydrophobicContact CG1-CG1 3.95Å; V8-I12 HydrophobicContact CG1-CG2 3.21Å; H9-I12 WeakPolarHBondContact O-CA 3.45Å; H9-I12 WeakPolarHBondContact O-CB 3.48Å; H9-I12 PolarHBondContact O-N 3.2Å; P10-I12 VanDerWaalsContact C-N 3.34Å; P10-I12 PolarHBondContact O-N 3.35Å; I12-L14 VanDerWaalsContact C-N 3.31Å; I12-L15 HydrophobicContact CG1-CD1 4.39Å; I12-L15 PolarHBondContact O-N 3.23Å; I12-R16 WeakPolarHBondContact O-CB 3.45Å; I12-R16 PolarHBondContact O-N 3Å; I12-F61 HydrophobicContact CD1-CD2 4.28Å; I12-L62 HydrophobicContact CG1-CD2 4.41Å; I12-L62 HydrophobicContact CG2-CD2 3.75Å
13	A	52.7	Low	46.9	Very low	61 Å²	61	92.6 Å²	92.6	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-44.6	169.9	0	0	0	0	0	110.5	P10 R16 E17	P10-A13 PolarHBondContact O-N 3.41Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 2.86Å; A13-E17 PolarHBondContact O-N 3.16Å; A13-E17 VanDerWaalsContact O-N 3.1Å
14	L	54.3	Low	47.7	Very low	86 Å²	86	94.3 Å²	94.3	45%	0.45	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-37.2	172.3	-68.7	168.2	0	0	0	112.9	P10 H11 I12 R16 E17 L18	P10-L14 WeakPolarHBondContact O-CG 3.26Å; P10-L14 PolarHBondContact O-N 3.07Å; H11-L14 CarbonylContact O-C 3.5Å; H11-L14 PolarHBondContact O-N 2.9Å; I12-L14 VanDerWaalsContact C-N 3.31Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-E17 PolarHBondContact O-N 2.99Å; L14-L18 VanDerWaalsContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CB 3.08Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.21Å
15	L	52.9	Low	48.1	Very low	50 Å²	50	96.7 Å²	96.7	26%	0.262	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-35	177.4	-78.9	162.5	0	0	0	110	H11 I12 E17 L18 C19	H11-L15 WeakPolarHBondContact O-CA 3.31Å; H11-L15 WeakPolarHBondContact O-CB 3.45Å; H11-L15 WeakPolarHBondContact O-CD1 3.29Å; H11-L15 WeakPolarHBondContact O-CG 3.39Å; H11-L15 PolarHBondContact O-N 3.41Å; I12-L15 HydrophobicContact CG1-CD1 4.39Å; I12-L15 PolarHBondContact O-N 3.23Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.03Å; L15-C19 WeakPolarHBondContact O-CB 3.18Å; L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 3.48Å; L15-C19 VanDerWaalsContact O-SG 3.4Å
16	R	52.9	Low	48.5	Very low	91 Å²	91	96.8 Å²	96.8	34%	0.343	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-44.1	174	-164.8	177.6	-170	-151	-6.7	110.6	I12 A13 L14 G20 E21	I12-R16 WeakPolarHBondContact O-CB 3.45Å; I12-R16 PolarHBondContact O-N 3Å; A13-R16 WeakPolarHBondContact O-CB 3.45Å; A13-R16 PolarHBondContact O-N 2.86Å; L14-R16 VanDerWaalsContact C-N 3.31Å; R16-G20 PolarHBondContact O-N 2.96Å; R16-E21 HydrophobicContact CG-CB 3.59Å; R16-E21 IonicContact NE-OE2 2.92Å; R16-E21 WeakPolarHBondContact O-CB 3.35Å; R16-E21 PolarHBondContact O-N 2.9Å
17	E	55.6	Low	48.8	Very low	150 Å²	150	98.6 Å²	98.6	70%	0.701	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-44.5	174	-167.2	175	-175.1	0	0	111.8	A13 L14 L15 G20	A13-E17 PolarHBondContact O-N 3.16Å; A13-E17 VanDerWaalsContact O-N 3.1Å; L14-E17 PolarHBondContact O-N 2.99Å; L15-E17 VanDerWaalsContact C-N 3.34Å; E17-G20 PolarHBondContact O-N 2.7Å; E17-G20 VanDerWaalsContact O-N 3.14Å
18	L	54.1	Low	49	Very low	143 Å²	143	96.3 Å²	96.3	75%	0.749	53%	0.532	S	S	*	.	H	α-helix	trans	-68.4	-36.1	178.4	-83.7	156.3	0	0	0	113.7	L14 L15 G20	L14-L18 VanDerWaalsContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CB 3.08Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 3.21Å; L15-L18 PolarHBondContact O-N 3.03Å; L18-G20 PolarHBondContact O-N 2.93Å
19	C	55.4	Low	49	Very low	87 Å²	87	99 Å²	99	59%	0.588	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-0	173.7	-77.6	0	0	0	0	112.3	L15 E21	L15-C19 WeakPolarHBondContact O-CB 3.18Å; L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 3.48Å; L15-C19 VanDerWaalsContact O-SG 3.4Å; C19-E21 HydrophobicContact CB-CG 4.32Å; C19-E21 PolarHBondContact O-N 2.94Å
20	G	47.5	Very low	49.4	Very low	49 Å²	49	99.5 Å²	99.5	51%	0.505	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	22.8	-179.4	0	0	0	0	0	112.7	R16 E17 L18 T22	R16-G20 PolarHBondContact O-N 2.96Å; E17-G20 PolarHBondContact O-N 2.7Å; E17-G20 VanDerWaalsContact O-N 3.14Å; L18-G20 PolarHBondContact O-N 2.93Å; G20-T22 PolarHBondContact O-N 2.95Å
21	E	47.4	Very low	49.7	Very low	61 Å²	61	99.3 Å²	99.3	29%	0.285	55%	0.55	S	S	.	.			trans	-78	66.1	173.9	-70.3	-163.4	-177	0	0	109.5	R16 C19	R16-E21 HydrophobicContact CG-CB 3.59Å; R16-E21 IonicContact NE-OE2 2.92Å; R16-E21 WeakPolarHBondContact O-CB 3.35Å; R16-E21 PolarHBondContact O-N 2.9Å; C19-E21 HydrophobicContact CB-CG 4.32Å; C19-E21 PolarHBondContact O-N 2.94Å
22	T	45.5	Very low	50.1	Low	123 Å²	123	97.9 Å²	97.9	76%	0.755	55%	0.545	S	S	*	.			trans	-64.6	151.7	165.8	52.1	0	0	0	0	109.4	G20 E24	G20-T22 PolarHBondContact O-N 2.95Å; T22-E24 PolarHBondContact O-N 3.27Å
23	H	44.3	Very low	51	Low	150 Å²	150	100.1 Å²	100.1	69%	0.694	56%	0.557	S	S	*	*	S	Bend	trans	-41	129.6	179.8	-93.3	-109.3	0	0	0	114.1	E25	H23-E25 PolarHBondContact O-N 3.44Å
24	E	45.2	Very low	52.2	Low	180 Å²	180	100.2 Å²	100.2	84%	0.841	55%	0.547	S	S	*	.	S	Bend	trans	82.6	-15.2	147.7	-64.1	-166.4	154	0	0	122.7	T22	T22-E24 PolarHBondContact O-N 3.27Å
25	E	43.8	Very low	53.7	Low	177 Å²	177	100.4 Å²	100.4	83%	0.827	56%	0.556	S	S	*	*	S	Bend	trans	-115.9	118	-172.1	-69.3	-179.2	169	0	0	114	H23	H23-E25 PolarHBondContact O-N 3.44Å
26	S	44.5	Very low	55.4	Low	101 Å²	101	101.4 Å²	101.4	71%	0.706	56%	0.556	S	S	*	*	S	Bend	trans	107	-5.1	150	80.9	0	0	0	0	122.9	S28	S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.06Å
27	L	47.9	Very low	57	Low	110 Å²	110	97.1 Å²	97.1	58%	0.576	54%	0.54	S	S	*	.			trans	-93	38.4	172	-61	-176.3	0	0	0	113.8	D29	L27-D29 PolarHBondContact O-N 2.98Å
28	S	47.1	Very low	58.5	Low	117 Å²	117	95 Å²	95	82%	0.818	53%	0.529	S	S	*	.			trans	-73.7	4.7	165.8	58.8	0	0	0	0	113.2	S26 D30	S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.06Å; S28-D30 PolarHBondContact O-N 3.38Å
29	D	47	Very low	60.2	Low	103 Å²	103	92.3 Å²	92.3	55%	0.551	52%	0.522	S	S	*	.			trans	-91.8	71.5	179.5	-173	46.6	0	0	0	110.5	L27 K58	L27-D29 PolarHBondContact O-N 2.98Å; D29-K58 WeakPolarHBondContact O-CE 3.37Å; D29-K58 PolarHBondContact O-NZ 3Å; D29-K58 IonicContact OD2-NZ 3.06Å; D29-K58 PolarHBondContact OD2-NZ 3.09Å; D29-K58 VanDerWaalsContact OD2-NZ 3.16Å
30	D	54.4	Low	61.8	Low	54 Å²	54	89.1 Å²	89.1	29%	0.289	50%	0.499	S	S	.	.			trans	-128.4	90.7	141.3	-77.8	-31.1	0	0	0	102.3	S28 D32 K58	S28-D30 PolarHBondContact O-N 3.38Å; D30-D32 PolarHBondContact O-N 2.99Å; D30-K58 WeakPolarHBondContact OD1-CE 3.33Å; D30-K58 IonicContact OD1-NZ 2.92Å
31	S	53.3	Low	63.8	Low	83 Å²	83	90.8 Å²	90.8	58%	0.58	50%	0.497	S	S	*	.			trans	-24.1	115.4	153.4	158.9	0	0	0	0	107.1	D33	S31-D33 PolarHBondContact O-N 2.85Å
32	D	56.9	Low	65.7	Low	59 Å²	59	88.4 Å²	88.4	32%	0.316	49%	0.486	S	S	.	.			trans	-52.4	101	176.3	-100.9	-33.6	0	0	0	105.5	D30 E34 K75 N78	D30-D32 PolarHBondContact O-N 2.99Å; D32-E34 HydrophobicContact CB-CG 4.25Å; D32-E34 PolarHBondContact O-N 3.07Å; D32-K75 IonicContact OD1-NZ 3.95Å; D32-K75 PolarHBondContact OD1-NZ 3.11Å; D32-N78 PolarHBondContact OD2-ND2 3.19Å; D32-N78 VanDerWaalsContact OD2-ND2 3.08Å
33	D	69.1	Low	67.7	Low	67 Å²	67	90.3 Å²	90.3	36%	0.358	48%	0.484	S	S	.	.			trans	-73.2	64.7	178	-74.6	-27.9	0	0	0	105.9	S31 S35 Y36 L37	S31-D33 PolarHBondContact O-N 2.85Å; D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 VanDerWaalsContact O-N 3.16Å; D33-Y36 WeakPolarHBondContact O-CA 3.45Å; D33-Y36 WeakPolarHBondContact O-CB 3.46Å; D33-Y36 PolarHBondContact O-N 3.17Å; D33-L37 PolarHBondContact O-N 2.86Å
34	E	78.4	Confident	69.8	Low	64 Å²	64	87.6 Å²	87.6	30%	0.299	48%	0.475	S	S	.	.	H	α-helix	trans	-55.1	-32	174.4	-59.8	-156.5	156.5	0	0	109.3	D32 L37 K38 H79	D32-E34 HydrophobicContact CB-CG 4.25Å; D32-E34 PolarHBondContact O-N 3.07Å; E34-L37 PolarHBondContact O-N 3.43Å; E34-K38 WeakPolarHBondContact O-CB 2.91Å; E34-K38 WeakPolarHBondContact O-CD 3.38Å; E34-K38 WeakPolarHBondContact O-CG 3.11Å; E34-K38 PolarHBondContact O-N 2.63Å; E34-K38 IonicContact OE2-NZ 3.41Å; E34-K38 PolarHBondContact OE2-NZ 2.54Å; E34-H79 IonicContact OE1-CE1 2.7Å
35	S	85.7	Confident	71.9	Confident	89 Å²	89	83.5 Å²	83.5	62%	0.622	45%	0.451	S	S	*	.	H	α-helix	trans	-60.9	-46	171.4	57.4	0	0	0	0	112.2	D33 S39	D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 VanDerWaalsContact O-N 3.16Å; S35-S39 WeakPolarHBondContact O-CB 3.11Å; S35-S39 PolarHBondContact O-N 3.04Å; S35-S39 PolarHBondContact O-OG 3.48Å
36	Y	87.6	Confident	74	Confident	71 Å²	71	79.1 Å²	79.1	28%	0.278	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-52.1	174.5	176.4	-112.7	0	0	0	109.9	D33 K38 S39 L40 V53	D33-Y36 WeakPolarHBondContact O-CA 3.45Å; D33-Y36 WeakPolarHBondContact O-CB 3.46Å; D33-Y36 PolarHBondContact O-N 3.17Å; Y36-K38 PolarHBondContact O-N 2.88Å; Y36-S39 PolarHBondContact O-N 3.2Å; Y36-S39 PolarHBondContact O-OG 3.27Å; Y36-L40 HydrophobicContact CE1-CD1 4.22Å; Y36-L40 HydrophobicContact CE1-CD2 4.17Å; Y36-L40 HydrophobicContact CE2-CD2 3.96Å; Y36-L40 WeakPolarHBondContact O-CG 3.43Å; Y36-L40 PolarHBondContact O-N 3.48Å; Y36-V53 HydrophobicContact CE1-CG2 4.44Å
37	L	87.5	Confident	76.1	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.01	43%	0.426	C	S	.	.	H	α-helix	trans	-56.7	-47.8	-180	-70.3	-179.2	0	0	0	112.3	D33 E34 S39 L40 V53 K75 H79 Y98 I102	D33-L37 PolarHBondContact O-N 2.86Å; E34-L37 PolarHBondContact O-N 3.43Å; L37-S39 PolarHBondContact O-N 3.11Å; L37-L40 HydrophobicContact CD2-CD1 3.97Å; L37-L40 WeakPolarHBondContact O-CB 3.43Å; L37-L40 PolarHBondContact O-N 3.46Å; L37-L40 VanDerWaalsContact O-N 3.11Å; L37-V53 HydrophobicContact CD2-CG1 4.15Å; L37-K75 HydrophobicContact CD1-CD 4.08Å; L37-H79 WeakPolarHBondContact CD1-NE2 3.3Å; L37-Y98 HydrophobicContact CB-CD2 3.79Å; L37-Y98 HydrophobicContact CB-CE2 3.98Å; L37-Y98 HydrophobicContact CB-CG 4.42Å; L37-Y98 HydrophobicContact CD1-CE2 4.41Å; L37-Y98 WeakPolarHBondContact O-CB 3.47Å; L37-I102 HydrophobicContact CD1-CD1 4.26Å; L37-I102 HydrophobicContact CD2-CG1 4.34Å
38	K	87	Confident	78.2	Confident	104 Å²	104	74.2 Å²	74.2	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-18.5	178.5	-71	167.2	-169.3	167.8	0	113.3	E34 Y36 Y98	E34-K38 WeakPolarHBondContact O-CB 2.91Å; E34-K38 WeakPolarHBondContact O-CD 3.38Å; E34-K38 WeakPolarHBondContact O-CG 3.11Å; E34-K38 PolarHBondContact O-N 2.63Å; E34-K38 IonicContact OE2-NZ 3.41Å; E34-K38 PolarHBondContact OE2-NZ 2.54Å; Y36-K38 PolarHBondContact O-N 2.88Å; K38-Y98 HydrophobicContact CG-CD1 4.17Å; K38-Y98 HydrophobicContact CG-CE1 3.71Å
39	S	88.9	Confident	80.4	Confident	87 Å²	87	69.6 Å²	69.6	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-89.7	-7.2	176.7	70.3	0	0	0	0	114	S35 Y36 L37	S35-S39 WeakPolarHBondContact O-CB 3.11Å; S35-S39 PolarHBondContact O-N 3.04Å; S35-S39 PolarHBondContact O-OG 3.48Å; Y36-S39 PolarHBondContact O-N 3.2Å; Y36-S39 PolarHBondContact O-OG 3.27Å; L37-S39 PolarHBondContact O-N 3.11Å
40	L	89.5	Confident	82.7	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.11	34%	0.343	C	S	.	.			trans	-76.2	131.7	179	-61.1	175.6	0	0	0	111.8	Y36 L37 Q48 V53 C101	Y36-L40 HydrophobicContact CE1-CD1 4.22Å; Y36-L40 HydrophobicContact CE1-CD2 4.17Å; Y36-L40 HydrophobicContact CE2-CD2 3.96Å; Y36-L40 WeakPolarHBondContact O-CG 3.43Å; Y36-L40 PolarHBondContact O-N 3.48Å; L37-L40 HydrophobicContact CD2-CD1 3.97Å; L37-L40 WeakPolarHBondContact O-CB 3.43Å; L37-L40 PolarHBondContact O-N 3.46Å; L37-L40 VanDerWaalsContact O-N 3.11Å; L40-Q48 HydrophobicContact CD2-CG 4.06Å; L40-V53 HydrophobicContact CD1-CG2 3.7Å; L40-C101 HydrophobicContact CB-CB 4.44Å; L40-C101 HydrophobicContact CD1-CB 4.01Å
41	D	88.2	Confident	84.6	Confident	84 Å²	84	62.1 Å²	62.1	45%	0.449	33%	0.329	S	S	.	.			trans	-95	118.9	168.4	-178.5	-5.9	0	0	0	110	K43 N44 Q48	D41-K43 PolarHBondContact O-N 2.84Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 WeakPolarHBondContact OD1-CB 3.33Å; D41-K43 PolarHBondContact OD1-N 2.91Å; D41-N44 PolarHBondContact O-N 3.3Å; D41-Q48 PolarHBondContact O-NE2 3.39Å
42	P	87.4	Confident	86.5	Confident	10 Å²	10	59 Å²	59	7%	0.065	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-55.6	-25.5	176	-28	37.6	0	0	0	114.7	N44 W45 L96 D97	P42-N44 VanDerWaalsContact C-N 3.28Å; P42-N44 PolarHBondContact O-N 3.07Å; P42-W45 VanDerWaalsContact O-CD1 3.27Å; P42-W45 PolarHBondContact O-N 3.48Å; P42-L96 WeakPolarHBondContact CD-O 3.47Å; P42-L96 WeakPolarHBondContact CG-O 3.23Å; P42-D97 WeakPolarHBondContact CG-O 3.4Å
43	K	87.5	Confident	88.2	Confident	164 Å²	164	56.2 Å²	56.2	71%	0.713	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69.3	-27.4	177.5	-64.5	177.8	-178.7	174.6	0	112.6	D41	D41-K43 PolarHBondContact O-N 2.84Å; D41-K43 VanDerWaalsContact O-N 3.11Å; D41-K43 WeakPolarHBondContact OD1-CB 3.33Å; D41-K43 PolarHBondContact OD1-N 2.91Å
44	N	88.7	Confident	89.4	Confident	93 Å²	93	53 Å²	53	50%	0.497	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-102.7	29	179.2	-164.8	13.6	0	0	0	112.4	D41 P42 K46 S47 Q48	D41-N44 PolarHBondContact O-N 3.3Å; P42-N44 VanDerWaalsContact C-N 3.28Å; P42-N44 PolarHBondContact O-N 3.07Å; N44-K46 PolarHBondContact O-N 3.38Å; N44-S47 PolarHBondContact O-N 3.13Å; N44-S47 WeakPolarHBondContact OD1-CB 3.46Å; N44-S47 PolarHBondContact OD1-OG 3.4Å; N44-Q48 WeakPolarHBondContact O-CG 3.45Å
45	W	89.3	Confident	90	Very high	93 Å²	93	51 Å²	51	35%	0.352	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.2	-33.4	-177.3	69.9	-96.2	0	0	0	113.7	P42 S47 Q48 H50 I104 I108 Y191	P42-W45 VanDerWaalsContact O-CD1 3.27Å; P42-W45 PolarHBondContact O-N 3.48Å; W45-S47 PolarHBondContact O-N 3.39Å; W45-Q48 WeakPolarHBondContact O-CB 3.41Å; W45-Q48 PolarHBondContact O-N 3.1Å; W45-Q48 VanDerWaalsContact O-N 3.1Å; W45-H50 PolarHBondContact O-CE1 3.45Å; W45-H50 VanDerWaalsContact O-CE1 3.27Å; W45-I104 HydrophobicContact CB-CD1 3.82Å; W45-I104 HydrophobicContact CB-CG2 4.21Å; W45-I104 HydrophobicContact CD2-CD1 4.22Å; W45-I104 HydrophobicContact CD2-CG2 3.72Å; W45-I104 HydrophobicContact CE3-CG2 3.37Å; W45-I104 HydrophobicContact CG-CD1 3.72Å; W45-I104 HydrophobicContact CG-CG2 4.12Å; W45-I104 HydrophobicContact CZ3-CG2 3.99Å; W45-I108 HydrophobicContact CE3-CD1 3.98Å; W45-I108 HydrophobicContact CZ3-CD1 3.57Å; W45-Y191 HydrophobicContact CZ3-CE2 4.34Å
46	K	89.2	Confident	90.3	Very high	85 Å²	85	47.3 Å²	47.3	37%	0.37	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.7	-27.7	-174.6	-165.9	172.1	-176.9	176.6	0	113.1	N44 Y191 D193	N44-K46 PolarHBondContact O-N 3.38Å; K46-Y191 WeakPolarHBondContact CE-O 3.44Å; K46-Y191 HydrophobicContact CG-CE1 4.14Å; K46-Y191 PolarHBondContact O-OH 3.35Å; K46-D193 PolarHBondContact NZ-O 3.44Å
47	S	88.7	Confident	90.4	Very high	91 Å²	91	51 Å²	51	64%	0.636	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-92.7	-0.9	179.7	-46.6	0	0	0	0	113.1	N44 W45	N44-S47 PolarHBondContact O-N 3.13Å; N44-S47 WeakPolarHBondContact OD1-CB 3.46Å; N44-S47 PolarHBondContact OD1-OG 3.4Å; W45-S47 PolarHBondContact O-N 3.39Å
48	Q	91.5	Very high	90.4	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.079	28%	0.281	C	S	.	.	S	Bend	trans	-80.2	155.8	-177.2	-64.1	175.1	7.1	0	0	111.8	L40 D41 N44 W45 H50 V53 C101 Y118	L40-Q48 HydrophobicContact CD2-CG 4.06Å; D41-Q48 PolarHBondContact O-NE2 3.39Å; N44-Q48 WeakPolarHBondContact O-CG 3.45Å; W45-Q48 WeakPolarHBondContact O-CB 3.41Å; W45-Q48 PolarHBondContact O-N 3.1Å; W45-Q48 VanDerWaalsContact O-N 3.1Å; Q48-H50 PolarHBondContact O-N 2.96Å; Q48-V53 HydrophobicContact CB-CG2 4.46Å; Q48-C101 PolarHBondContact NE2-SG 2.74Å; Q48-C101 VanDerWaalsContact NE2-SG 3.37Å; Q48-C101 VanDerWaalsContact OE1-CB 3.29Å; Q48-C101 PolarHBondContact OE1-SG 2.96Å; Q48-Y118 PolarHBondContact O-OH 3.13Å
49	D	93.3	Very high	90.6	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.112	27%	0.268	C	S	.	.			trans	-84.6	93.9	171.4	179.5	-4.6	0	0	0	109.6	Y51 S52 V53 R60 Y118	D49-Y51 PolarHBondContact O-N 3.37Å; D49-Y51 VanDerWaalsContact O-N 3.15Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.24Å; D49-Y51 PolarHBondContact OD1-N 2.96Å; D49-Y51 VanDerWaalsContact OD1-N 3.15Å; D49-S52 WeakPolarHBondContact O-CA 3.5Å; D49-S52 WeakPolarHBondContact O-CB 3.49Å; D49-S52 PolarHBondContact O-N 2.98Å; D49-S52 PolarHBondContact OD1-N 3.02Å; D49-S52 VanDerWaalsContact OD1-N 3.15Å; D49-S52 WeakPolarHBondContact OD2-CB 3.29Å; D49-S52 PolarHBondContact OD2-OG 2.82Å; D49-V53 WeakPolarHBondContact O-CG2 3.41Å; D49-V53 PolarHBondContact O-N 3.03Å; D49-R60 IonicContact OD1-CZ 3.63Å; D49-R60 IonicContact OD1-NH1 2.62Å; D49-R60 IonicContact OD1-NH2 3.58Å; D49-R60 PolarHBondContact OD1-NH2 2.92Å; D49-R60 IonicContact OD2-CZ 2.96Å; D49-R60 IonicContact OD2-NH1 3.68Å; D49-R60 PolarHBondContact OD2-NH1 3.49Å; D49-R60 IonicContact OD2-NH2 2.82Å; D49-R60 PolarHBondContact OD2-NH2 3.41Å; D49-R60 VanDerWaalsContact OD2-NH2 3.12Å; D49-Y118 WeakPolarHBondContact CA-OH 3.47Å
50	H	95.1	Very high	90.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-30.5	-176.5	-62.5	-46	0	0	0	113	W45 Q48 L54 A105 I108 L109 Y118 Y191	W45-H50 PolarHBondContact O-CE1 3.45Å; W45-H50 VanDerWaalsContact O-CE1 3.27Å; Q48-H50 PolarHBondContact O-N 2.96Å; H50-L54 PolarHBondContact O-N 3.25Å; H50-A105 HydrophobicContact CB-CB 3.94Å; H50-I108 WeakPolarHBondContact NE2-CD1 3.37Å; H50-L109 HydrophobicContact CB-CD1 3.78Å; H50-L109 HydrophobicContact CB-CD2 4.32Å; H50-L109 HydrophobicContact CB-CG 3.9Å; H50-L109 WeakPolarHBondContact O-CD1 3.48Å; H50-Y118 HydrophobicContact CB-CE1 4.13Å; H50-Y118 AromaticContact CD2-CD2 3.58Å; H50-Y118 AromaticContact CD2-CE2 3.36Å; H50-Y118 WeakPolarHBondContact CD2-CE2 3.44Å; H50-Y118 AromaticContact CD2-CZ 3.63Å; H50-Y118 PolarHBondContact N-OH 3.08Å; H50-Y118 AromaticContact NE2-CE2 3.97Å; H50-Y191 AromaticContact NE2-CZ 3.76Å; H50-Y191 PolarHBondContact NE2-OH 3.29Å
51	Y	94.9	Very high	90.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-43.8	174.5	-73.4	-69.9	0	0	0	110.9	D49 V53 L54 G55 L56 R60 F61 A63 L109 R115 Y118 D119	D49-Y51 PolarHBondContact O-N 3.37Å; D49-Y51 VanDerWaalsContact O-N 3.15Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.24Å; D49-Y51 PolarHBondContact OD1-N 2.96Å; D49-Y51 VanDerWaalsContact OD1-N 3.15Å; Y51-V53 VanDerWaalsContact C-N 3.32Å; Y51-V53 PolarHBondContact O-N 3.21Å; Y51-L54 PolarHBondContact O-N 2.85Å; Y51-G55 PolarHBondContact O-N 3.11Å; Y51-G55 VanDerWaalsContact O-N 3.14Å; Y51-L56 HydrophobicContact CD1-CB 4.03Å; Y51-L56 CarbonylContact O-C 3.43Å; Y51-L56 WeakPolarHBondContact O-CA 3.12Å; Y51-L56 PolarHBondContact O-N 3.45Å; Y51-R60 HydrophobicContact CD2-CB 4.11Å; Y51-R60 WeakPolarHBondContact CE1-O 3.46Å; Y51-R60 HydrophobicContact CE2-CB 4.35Å; Y51-R60 HydrophobicContact CG-CB 4.35Å; Y51-R60 VanDerWaalsContact CZ-O 3.3Å; Y51-F61 WeakPolarHBondContact OH-CA 3.46Å; Y51-A63 HydrophobicContact CE1-CB 4.34Å; Y51-L109 HydrophobicContact CD1-CD1 3.58Å; Y51-L109 HydrophobicContact CD1-CD2 4.22Å; Y51-L109 HydrophobicContact CD2-CD2 4.28Å; Y51-L109 HydrophobicContact CE1-CD1 3.81Å; Y51-L109 HydrophobicContact CE1-CD2 3.72Å; Y51-L109 HydrophobicContact CE1-CG 4.34Å; Y51-L109 HydrophobicContact CE2-CD2 3.79Å; Y51-L109 HydrophobicContact CG-CD1 3.97Å; Y51-L109 HydrophobicContact CG-CD2 4.47Å; Y51-L109 VanDerWaalsContact CZ-CD2 3.48Å; Y51-R115 PolarHBondContact OH-NE 3.29Å; Y51-R115 PolarHBondContact OH-NH2 3.4Å; Y51-R115 VanDerWaalsContact OH-NH2 3.15Å; Y51-Y118 HydrophobicContact CD2-CD1 4.46Å; Y51-Y118 AromaticContact CD2-CE1 3.8Å; Y51-Y118 HydrophobicContact CD2-CE1 3.8Å; Y51-Y118 HydrophobicContact CE2-CD1 4.06Å; Y51-Y118 AromaticContact CE2-CE1 3.84Å; Y51-Y118 HydrophobicContact CE2-CE1 3.84Å; Y51-D119 WeakPolarHBondContact CE2-OD1 2.98Å; Y51-D119 VanDerWaalsContact CZ-OD1 3.3Å; Y51-D119 VanDerWaalsContact OH-CG 3.27Å; Y51-D119 PolarHBondContact OH-OD1 3.26Å; Y51-D119 PolarHBondContact OH-OD2 2.95Å
52	S	92.4	Very high	90.8	Very high	17 Å²	17	50 Å²	50	12%	0.119	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-39.2	174.2	-68.2	0	0	0	0	112.1	D49 L54 G55 R57	D49-S52 WeakPolarHBondContact O-CA 3.5Å; D49-S52 WeakPolarHBondContact O-CB 3.49Å; D49-S52 PolarHBondContact O-N 2.98Å; D49-S52 PolarHBondContact OD1-N 3.02Å; D49-S52 VanDerWaalsContact OD1-N 3.15Å; D49-S52 WeakPolarHBondContact OD2-CB 3.29Å; D49-S52 PolarHBondContact OD2-OG 2.82Å; S52-L54 VanDerWaalsContact C-N 3.27Å; S52-L54 PolarHBondContact O-N 3.06Å; S52-G55 PolarHBondContact O-N 2.87Å; S52-R57 WeakPolarHBondContact OG-CB 3.21Å; S52-R57 WeakPolarHBondContact OG-CD 3Å; S52-R57 VanDerWaalsContact OG-CG 3.26Å; S52-R57 WeakPolarHBondContact OG-CG 3.17Å
53	V	93.4	Very high	91	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-39.3	175.3	177.6	0	0	0	0	111.9	Y36 L37 L40 Q48 D49 Y51 G55 K75 C101 I102 A105	Y36-V53 HydrophobicContact CE1-CG2 4.44Å; L37-V53 HydrophobicContact CD2-CG1 4.15Å; L40-V53 HydrophobicContact CD1-CG2 3.7Å; Q48-V53 HydrophobicContact CB-CG2 4.46Å; D49-V53 WeakPolarHBondContact O-CG2 3.41Å; D49-V53 PolarHBondContact O-N 3.03Å; Y51-V53 VanDerWaalsContact C-N 3.32Å; Y51-V53 PolarHBondContact O-N 3.21Å; V53-G55 VanDerWaalsContact C-N 3.34Å; V53-K75 WeakPolarHBondContact O-CE 3.2Å; V53-C101 HydrophobicContact CG1-CB 4.36Å; V53-I102 HydrophobicContact CG1-CB 4.33Å; V53-I102 HydrophobicContact CG1-CG1 3.86Å; V53-A105 HydrophobicContact CB-CB 3.83Å; V53-A105 HydrophobicContact CG1-CB 3.69Å
54	L	93.4	Very high	91.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-83	-5.3	176.7	-64.5	-172.9	0	0	0	113.9	H50 Y51 S52 L56 I68 A71 Y72 I102 A105 L109	H50-L54 PolarHBondContact O-N 3.25Å; Y51-L54 PolarHBondContact O-N 2.85Å; S52-L54 VanDerWaalsContact C-N 3.27Å; S52-L54 PolarHBondContact O-N 3.06Å; L54-L56 HydrophobicContact CB-CD1 4.23Å; L54-L56 HydrophobicContact CB-CG 4.36Å; L54-I68 HydrophobicContact CD1-CG2 3.94Å; L54-A71 HydrophobicContact CB-CB 4.23Å; L54-A71 WeakPolarHBondContact O-CB 3.36Å; L54-Y72 HydrophobicContact CD2-CD2 4.18Å; L54-I102 HydrophobicContact CD2-CG2 4.2Å; L54-A105 HydrophobicContact CD2-CB 4.15Å; L54-A105 HydrophobicContact CG-CB 4.03Å; L54-L109 HydrophobicContact CD1-CB 4.33Å; L54-L109 HydrophobicContact CD1-CD1 3.77Å; L54-L109 HydrophobicContact CG-CD1 4.38Å
55	G	90.8	Very high	91.4	Very high	21 Å²	21	41.6 Å²	41.6	22%	0.216	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	39.4	-172.7	0	0	0	0	0	112.5	Y51 S52 V53	Y51-G55 PolarHBondContact O-N 3.11Å; Y51-G55 VanDerWaalsContact O-N 3.14Å; S52-G55 PolarHBondContact O-N 2.87Å; V53-G55 VanDerWaalsContact C-N 3.34Å
56	L	91.6	Very high	91.6	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.068	22%	0.215	C	C	.	.			trans	-122.2	26.5	177.6	-67	174.8	0	0	0	111.2	Y51 L54 K58 K59 R60 A63 D67 I68 A71	Y51-L56 HydrophobicContact CD1-CB 4.03Å; Y51-L56 CarbonylContact O-C 3.43Å; Y51-L56 WeakPolarHBondContact O-CA 3.12Å; Y51-L56 PolarHBondContact O-N 3.45Å; L54-L56 HydrophobicContact CB-CD1 4.23Å; L54-L56 HydrophobicContact CB-CG 4.36Å; L56-K58 PolarHBondContact O-N 3.13Å; L56-K59 HydrophobicContact CD2-CD 4.23Å; L56-K59 PolarHBondContact O-N 3.44Å; L56-R60 PolarHBondContact O-N 3.38Å; L56-A63 HydrophobicContact CD1-CB 4.17Å; L56-D67 HydrophobicContact CD2-CB 4.44Å; L56-I68 HydrophobicContact CD1-CB 4.4Å; L56-I68 HydrophobicContact CD1-CG1 3.78Å; L56-A71 HydrophobicContact CD1-CB 3.8Å; L56-A71 HydrophobicContact CD2-CB 4.06Å; L56-A71 HydrophobicContact CG-CB 3.82Å
57	R	89.8	Confident	91.8	Very high	149 Å²	149	38.1 Å²	38.1	56%	0.562	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.8	-173.6	-176.4	174	178.8	-150.4	-1.3	112.8	S52 R60	S52-R57 WeakPolarHBondContact OG-CB 3.21Å; S52-R57 WeakPolarHBondContact OG-CD 3Å; S52-R57 VanDerWaalsContact OG-CG 3.26Å; S52-R57 WeakPolarHBondContact OG-CG 3.17Å; R57-R60 WeakPolarHBondContact O-CG 3.32Å
58	K	88.9	Confident	92.1	Very high	111 Å²	111	33.8 Å²	33.8	48%	0.483	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-43.7	178.4	-64.6	177.2	-179.1	173	0	112.7	D29 D30 L56	D29-K58 WeakPolarHBondContact O-CE 3.37Å; D29-K58 PolarHBondContact O-NZ 3Å; D29-K58 IonicContact OD2-NZ 3.06Å; D29-K58 PolarHBondContact OD2-NZ 3.09Å; D29-K58 VanDerWaalsContact OD2-NZ 3.16Å; D30-K58 WeakPolarHBondContact OD1-CE 3.33Å; D30-K58 IonicContact OD1-NZ 2.92Å; L56-K58 PolarHBondContact O-N 3.13Å
59	K	89.5	Confident	92.2	Very high	44 Å²	44	37 Å²	37	19%	0.191	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.2	-177.4	-71.7	-169.2	170.3	-168.1	0	113.1	L56 F61 L62 A63 D67	L56-K59 HydrophobicContact CD2-CD 4.23Å; L56-K59 PolarHBondContact O-N 3.44Å; K59-F61 PolarHBondContact O-N 3.02Å; K59-L62 WeakPolarHBondContact O-CA 3.39Å; K59-L62 VanDerWaalsContact O-CB 3.23Å; K59-L62 WeakPolarHBondContact O-CB 3.36Å; K59-L62 PolarHBondContact O-N 3.49Å; K59-A63 HydrophobicContact CB-CB 3.91Å; K59-A63 HydrophobicContact CD-CB 4.46Å; K59-D67 IonicContact NZ-OD1 2.84Å; K59-D67 PolarHBondContact NZ-OD1 2.71Å; K59-D67 IonicContact NZ-OD2 3.91Å; K59-D67 PolarHBondContact NZ-OD2 3.49Å
60	R	92.3	Very high	92.2	Very high	20 Å²	20	41.4 Å²	41.4	8%	0.075	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	43.5	-129.2	-177	-49.8	-161.1	77.2	81	4.8	112.3	D49 Y51 L56 R57 L62 A63 R115 D122 V124	D49-R60 IonicContact OD1-CZ 3.63Å; D49-R60 IonicContact OD1-NH1 2.62Å; D49-R60 IonicContact OD1-NH2 3.58Å; D49-R60 PolarHBondContact OD1-NH2 2.92Å; D49-R60 IonicContact OD2-CZ 2.96Å; D49-R60 IonicContact OD2-NH1 3.68Å; D49-R60 PolarHBondContact OD2-NH1 3.49Å; D49-R60 IonicContact OD2-NH2 2.82Å; D49-R60 PolarHBondContact OD2-NH2 3.41Å; D49-R60 VanDerWaalsContact OD2-NH2 3.12Å; Y51-R60 HydrophobicContact CD2-CB 4.11Å; Y51-R60 WeakPolarHBondContact CE1-O 3.46Å; Y51-R60 HydrophobicContact CE2-CB 4.35Å; Y51-R60 HydrophobicContact CG-CB 4.35Å; Y51-R60 VanDerWaalsContact CZ-O 3.3Å; L56-R60 PolarHBondContact O-N 3.38Å; R57-R60 WeakPolarHBondContact O-CG 3.32Å; R60-L62 PolarHBondContact O-N 3.03Å; R60-L62 VanDerWaalsContact O-N 3.13Å; R60-A63 WeakPolarHBondContact O-CB 3.28Å; R60-A63 PolarHBondContact O-N 3.32Å; R60-R115 PolarHBondContact O-NH2 2.87Å; R60-D122 IonicContact CZ-OD1 3.37Å; R60-D122 IonicContact CZ-OD2 2.95Å; R60-D122 IonicContact NE-OD1 3.44Å; R60-D122 IonicContact NE-OD2 3.54Å; R60-D122 PolarHBondContact NE-OD2 3.08Å; R60-D122 VanDerWaalsContact NH2-CG 3.33Å; R60-D122 IonicContact NH2-OD1 3.94Å; R60-D122 PolarHBondContact NH2-OD1 2.85Å; R60-D122 IonicContact NH2-OD2 3.65Å; R60-D122 PolarHBondContact NH2-OD2 3.33Å; R60-V124 VanDerWaalsContact CZ-CB 3.45Å
61	F	89.1	Confident	92.1	Very high	52 Å²	52	41.4 Å²	41.4	23%	0.228	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.8	-16.7	178.7	73.9	-87.7	0	0	0	114.6	I12 Y51 K59 A63 R115 A125 R153	I12-F61 HydrophobicContact CD1-CD2 4.28Å; Y51-F61 WeakPolarHBondContact OH-CA 3.46Å; K59-F61 PolarHBondContact O-N 3.02Å; F61-A63 VanDerWaalsContact C-N 3.28Å; F61-R115 PolarHBondContact O-NH2 2.86Å; F61-R115 VanDerWaalsContact O-NH2 3.08Å; F61-A125 HydrophobicContact CD1-CB 4.21Å; F61-A125 HydrophobicContact CE1-CB 4.49Å; F61-R153 VanDerWaalsContact CD1-NH1 3.3Å
62	L	90.1	Very high	92.1	Very high	50 Å²	50	43.5 Å²	43.5	26%	0.262	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-78	-13.4	173.1	-55.1	173.1	0	0	0	112.3	I12 K59 R60 S64	I12-L62 HydrophobicContact CG1-CD2 4.41Å; I12-L62 HydrophobicContact CG2-CD2 3.75Å; K59-L62 WeakPolarHBondContact O-CA 3.39Å; K59-L62 VanDerWaalsContact O-CB 3.23Å; K59-L62 WeakPolarHBondContact O-CB 3.36Å; K59-L62 PolarHBondContact O-N 3.49Å; R60-L62 PolarHBondContact O-N 3.03Å; R60-L62 VanDerWaalsContact O-N 3.13Å; L62-S64 PolarHBondContact O-N 3.34Å
63	A	91.3	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.			trans	-60.3	130.3	177.7	0	0	0	0	0	110.9	Y51 L56 K59 R60 F61 D67 I68 R115	Y51-A63 HydrophobicContact CE1-CB 4.34Å; L56-A63 HydrophobicContact CD1-CB 4.17Å; K59-A63 HydrophobicContact CB-CB 3.91Å; K59-A63 HydrophobicContact CD-CB 4.46Å; R60-A63 WeakPolarHBondContact O-CB 3.28Å; R60-A63 PolarHBondContact O-N 3.32Å; F61-A63 VanDerWaalsContact C-N 3.28Å; A63-D67 HydrophobicContact CB-CB 4.19Å; A63-I68 HydrophobicContact CB-CD1 4.48Å; A63-I68 HydrophobicContact CB-CG1 4.16Å; A63-R115 PolarHBondContact O-NH1 2.94Å; A63-R115 PolarHBondContact O-NH2 3.22Å
64	S	92.8	Very high	92.1	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	25%	0.253	C	S	.	.			trans	-71.7	161.8	172.6	62.6	0	0	0	0	111.4	L62 D66 D67 I68	L62-S64 PolarHBondContact O-N 3.34Å; S64-D66 PolarHBondContact O-N 2.9Å; S64-D66 VanDerWaalsContact O-N 3.16Å; S64-D67 PolarHBondContact N-OD2 3.38Å; S64-D67 WeakPolarHBondContact O-CB 3.39Å; S64-D67 PolarHBondContact O-N 3.08Å; S64-D67 VanDerWaalsContact O-N 3.07Å; S64-D67 PolarHBondContact OG-N 2.93Å; S64-D67 PolarHBondContact OG-OD2 2.76Å; S64-I68 PolarHBondContact O-N 3.01Å
65	S	92.6	Very high	92	Very high	60 Å²	60	56.5 Å²	56.5	42%	0.42	25%	0.254	S	S	.	.	H	α-helix	trans	-55	-31.9	171.3	-59.7	0	0	0	0	112	K69	S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.13Å; S65-K69 VanDerWaalsContact O-N 3.09Å
66	D	93	Very high	92	Very high	89 Å²	89	57.9 Å²	57.9	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-76.7	-35.1	177.1	-68.9	-22.4	0	0	0	112.9	S64 I68 K69 R70	S64-D66 PolarHBondContact O-N 2.9Å; S64-D66 VanDerWaalsContact O-N 3.16Å; D66-I68 VanDerWaalsContact C-N 3.32Å; D66-K69 PolarHBondContact O-N 3.39Å; D66-K69 IonicContact OD1-NZ 3.83Å; D66-R70 WeakPolarHBondContact O-CB 3.48Å; D66-R70 WeakPolarHBondContact O-CG 3.2Å; D66-R70 PolarHBondContact O-N 2.96Å
67	D	93.3	Very high	91.9	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-45.4	170.5	-70.6	-46.5	0	0	0	111	L56 K59 A63 S64 R70 A71	L56-D67 HydrophobicContact CD2-CB 4.44Å; K59-D67 IonicContact NZ-OD1 2.84Å; K59-D67 PolarHBondContact NZ-OD1 2.71Å; K59-D67 IonicContact NZ-OD2 3.91Å; K59-D67 PolarHBondContact NZ-OD2 3.49Å; A63-D67 HydrophobicContact CB-CB 4.19Å; S64-D67 PolarHBondContact N-OD2 3.38Å; S64-D67 WeakPolarHBondContact O-CB 3.39Å; S64-D67 PolarHBondContact O-N 3.08Å; S64-D67 VanDerWaalsContact O-N 3.07Å; S64-D67 PolarHBondContact OG-N 2.93Å; S64-D67 PolarHBondContact OG-OD2 2.76Å; D67-R70 PolarHBondContact O-N 3.36Å; D67-R70 IonicContact OD1-CZ 3.39Å; D67-R70 IonicContact OD1-NE 2.63Å; D67-R70 IonicContact OD1-NH2 2.94Å; D67-R70 PolarHBondContact OD1-NH2 2.9Å; D67-A71 WeakPolarHBondContact O-CB 3.38Å; D67-A71 PolarHBondContact O-N 2.68Å
68	I	94.4	Very high	91.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-46.7	178.2	-66.6	165	0	0	0	110.9	L54 L56 A63 S64 D66 R70 A71 Y72 Y106 L109 R115	L54-I68 HydrophobicContact CD1-CG2 3.94Å; L56-I68 HydrophobicContact CD1-CB 4.4Å; L56-I68 HydrophobicContact CD1-CG1 3.78Å; A63-I68 HydrophobicContact CB-CD1 4.48Å; A63-I68 HydrophobicContact CB-CG1 4.16Å; S64-I68 PolarHBondContact O-N 3.01Å; D66-I68 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.14Å; I68-A71 PolarHBondContact O-N 2.82Å; I68-Y72 WeakPolarHBondContact O-CB 3.44Å; I68-Y72 PolarHBondContact O-N 2.96Å; I68-Y106 HydrophobicContact CG2-CD2 4.02Å; I68-Y106 HydrophobicContact CG2-CE2 4.26Å; I68-L109 HydrophobicContact CD1-CB 4.15Å; I68-L109 WeakPolarHBondContact CD1-O 3.3Å; I68-L109 HydrophobicContact CG2-CB 3.96Å; I68-R115 VanDerWaalsContact CD1-CZ 3.47Å; I68-R115 VanDerWaalsContact CD1-NH1 3.25Å
69	K	94.1	Very high	91.8	Very high	85 Å²	85	52.2 Å²	52.2	37%	0.37	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-42.2	176.4	-71.5	170.8	-172.1	169.9	0	112.3	S65 D66 R73 Y106	S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.13Å; S65-K69 VanDerWaalsContact O-N 3.09Å; D66-K69 PolarHBondContact O-N 3.39Å; D66-K69 IonicContact OD1-NZ 3.83Å; K69-R73 WeakPolarHBondContact O-CG 3.35Å; K69-R73 PolarHBondContact O-N 3.32Å; K69-Y106 HydrophobicContact CG-CE2 4.25Å
70	R	93.9	Very high	91.8	Very high	113 Å²	113	53.3 Å²	53.3	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-46.1	177	-79.8	-171.7	-67.5	-107.5	-0.5	111.3	D66 D67 I68 R73 R74	D66-R70 WeakPolarHBondContact O-CB 3.48Å; D66-R70 WeakPolarHBondContact O-CG 3.2Å; D66-R70 PolarHBondContact O-N 2.96Å; D67-R70 PolarHBondContact O-N 3.36Å; D67-R70 IonicContact OD1-CZ 3.39Å; D67-R70 IonicContact OD1-NE 2.63Å; D67-R70 IonicContact OD1-NH2 2.94Å; D67-R70 PolarHBondContact OD1-NH2 2.9Å; I68-R70 PolarHBondContact O-N 3.14Å; R70-R73 PolarHBondContact O-N 3.02Å; R70-R74 PolarHBondContact O-N 3.5Å
71	A	92.7	Very high	91.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-47.5	178	0	0	0	0	0	111.5	L54 L56 D67 I68 R73 R74 K75	L54-A71 HydrophobicContact CB-CB 4.23Å; L54-A71 WeakPolarHBondContact O-CB 3.36Å; L56-A71 HydrophobicContact CD1-CB 3.8Å; L56-A71 HydrophobicContact CD2-CB 4.06Å; L56-A71 HydrophobicContact CG-CB 3.82Å; D67-A71 WeakPolarHBondContact O-CB 3.38Å; D67-A71 PolarHBondContact O-N 2.68Å; I68-A71 PolarHBondContact O-N 2.82Å; A71-R73 PolarHBondContact O-N 3.27Å; A71-R74 WeakPolarHBondContact O-CB 3.3Å; A71-R74 PolarHBondContact O-N 3.11Å; A71-K75 PolarHBondContact O-N 3.49Å
72	Y	95.1	Very high	91.5	Very high	44 Å²	44	54.3 Å²	54.3	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-45.7	176	179	-120.8	0	0	0	112.9	L54 I68 R74 K75 I76 I102 Y106	L54-Y72 HydrophobicContact CD2-CD2 4.18Å; I68-Y72 WeakPolarHBondContact O-CB 3.44Å; I68-Y72 PolarHBondContact O-N 2.96Å; Y72-R74 VanDerWaalsContact C-N 3.29Å; Y72-R74 PolarHBondContact O-N 3.19Å; Y72-K75 PolarHBondContact O-N 3.37Å; Y72-I76 HydrophobicContact CD1-CD1 3.64Å; Y72-I76 HydrophobicContact CD2-CD1 4.24Å; Y72-I76 HydrophobicContact CD2-CG1 4.3Å; Y72-I76 HydrophobicContact CE1-CD1 3.21Å; Y72-I76 HydrophobicContact CE1-CG1 4.2Å; Y72-I76 HydrophobicContact CE2-CD1 3.87Å; Y72-I76 HydrophobicContact CE2-CG1 3.94Å; Y72-I76 HydrophobicContact CG-CD1 4.14Å; Y72-I76 WeakPolarHBondContact O-CG1 3.38Å; Y72-I76 PolarHBondContact O-N 2.62Å; Y72-I102 HydrophobicContact CD2-CG2 3.94Å; Y72-I102 HydrophobicContact CE2-CG2 3.97Å; Y72-Y106 VanDerWaalsContact CB-CD2 3.49Å; Y72-Y106 AromaticContact CD1-CD1 3.54Å; Y72-Y106 HydrophobicContact CD1-CD1 3.54Å; Y72-Y106 AromaticContact CD1-CD2 3.61Å; Y72-Y106 HydrophobicContact CD1-CD2 3.61Å; Y72-Y106 AromaticContact CD1-CE1 3.73Å; Y72-Y106 HydrophobicContact CD1-CE1 3.73Å; Y72-Y106 AromaticContact CD1-CE2 3.8Å; Y72-Y106 HydrophobicContact CD1-CE2 3.8Å; Y72-Y106 AromaticContact CD1-CG 3.47Å; Y72-Y106 HydrophobicContact CD1-CG 3.47Å; Y72-Y106 VanDerWaalsContact CD1-CG 3.47Å; Y72-Y106 AromaticContact CD1-CZ 3.85Å; Y72-Y106 HydrophobicContact CD2-CD1 4.27Å; Y72-Y106 HydrophobicContact CD2-CD2 4.13Å; Y72-Y106 AromaticContact CD2-CG 3.67Å; Y72-Y106 HydrophobicContact CD2-CG 3.67Å; Y72-Y106 AromaticContact CE1-CD1 3.38Å; Y72-Y106 HydrophobicContact CE1-CD1 3.38Å; Y72-Y106 HydrophobicContact CE1-CD2 4.33Å; Y72-Y106 AromaticContact CE1-CE1 3.66Å; Y72-Y106 HydrophobicContact CE1-CE1 3.66Å; Y72-Y106 AromaticContact CE1-CG 3.75Å; Y72-Y106 HydrophobicContact CE1-CG 3.75Å; Y72-Y106 HydrophobicContact CE2-CD1 4.14Å; Y72-Y106 AromaticContact CE2-CG 3.94Å; Y72-Y106 HydrophobicContact CE2-CG 3.94Å; Y72-Y106 AromaticContact CG-CD1 3.98Å; Y72-Y106 HydrophobicContact CG-CD1 3.98Å; Y72-Y106 AromaticContact CG-CD2 3.48Å; Y72-Y106 HydrophobicContact CG-CD2 3.48Å; Y72-Y106 VanDerWaalsContact CG-CD2 3.48Å; Y72-Y106 HydrophobicContact CG-CE2 4.08Å; Y72-Y106 AromaticContact CG-CG 3.41Å; Y72-Y106 HydrophobicContact CG-CG 3.41Å; Y72-Y106 VanDerWaalsContact CG-CG 3.41Å; Y72-Y106 AromaticContact CZ-CD1 3.71Å; Y72-Y106 AromaticContact CZ-CG 3.98Å
73	R	93.7	Very high	91.3	Very high	150 Å²	150	56.6 Å²	56.6	57%	0.566	27%	0.265	S	S	*	.	H	α-helix	trans	-59.1	-39.4	175.6	-75.2	-167.2	-60.5	-91.6	5.7	112.4	K69 R70 A71 I76 L77	K69-R73 WeakPolarHBondContact O-CG 3.35Å; K69-R73 PolarHBondContact O-N 3.32Å; R70-R73 PolarHBondContact O-N 3.02Å; A71-R73 PolarHBondContact O-N 3.27Å; R73-I76 PolarHBondContact O-N 3.1Å; R73-L77 PolarHBondContact O-N 3.23Å
74	R	92.1	Very high	91	Very high	131 Å²	131	57.1 Å²	57.1	49%	0.494	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-46	175.3	-166.8	-172.4	-56.4	123.9	-1.3	111.3	R70 A71 Y72 I76 L77 N78	R70-R74 PolarHBondContact O-N 3.5Å; A71-R74 WeakPolarHBondContact O-CB 3.3Å; A71-R74 PolarHBondContact O-N 3.11Å; Y72-R74 VanDerWaalsContact C-N 3.29Å; Y72-R74 PolarHBondContact O-N 3.19Å; R74-I76 PolarHBondContact O-N 3Å; R74-L77 PolarHBondContact O-N 2.84Å; R74-N78 PolarHBondContact O-N 2.91Å; R74-N78 VanDerWaalsContact O-N 3.11Å
75	K	90.9	Very high	90.8	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-39.4	177.1	-69	-61.2	-172.6	-170.8	0	112.5	D32 L37 V53 A71 Y72 N78 H79 I102	D32-K75 IonicContact OD1-NZ 3.95Å; D32-K75 PolarHBondContact OD1-NZ 3.11Å; L37-K75 HydrophobicContact CD1-CD 4.08Å; V53-K75 WeakPolarHBondContact O-CE 3.2Å; A71-K75 PolarHBondContact O-N 3.49Å; Y72-K75 PolarHBondContact O-N 3.37Å; K75-N78 PolarHBondContact O-N 2.69Å; K75-H79 WeakPolarHBondContact O-CB 3.43Å; K75-H79 PolarHBondContact O-N 3.4Å; K75-I102 HydrophobicContact CB-CD1 4.24Å; K75-I102 HydrophobicContact CB-CG2 3.74Å; K75-I102 HydrophobicContact CG-CG2 4.48Å
76	I	91.1	Very high	90.5	Very high	51 Å²	51	63.5 Å²	63.5	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-48.6	172.1	-68.6	164	0	0	0	110.5	Y72 R73 R74 N78 H80 F99	Y72-I76 HydrophobicContact CD1-CD1 3.64Å; Y72-I76 HydrophobicContact CD2-CD1 4.24Å; Y72-I76 HydrophobicContact CD2-CG1 4.3Å; Y72-I76 HydrophobicContact CE1-CD1 3.21Å; Y72-I76 HydrophobicContact CE1-CG1 4.2Å; Y72-I76 HydrophobicContact CE2-CD1 3.87Å; Y72-I76 HydrophobicContact CE2-CG1 3.94Å; Y72-I76 HydrophobicContact CG-CD1 4.14Å; Y72-I76 WeakPolarHBondContact O-CG1 3.38Å; Y72-I76 PolarHBondContact O-N 2.62Å; R73-I76 PolarHBondContact O-N 3.1Å; R74-I76 PolarHBondContact O-N 3Å; I76-N78 VanDerWaalsContact C-N 3.26Å; I76-N78 PolarHBondContact O-N 3.37Å; I76-H80 HydrophobicContact CG2-CB 4.26Å; I76-H80 WeakPolarHBondContact O-CB 3.4Å; I76-H80 PolarHBondContact O-N 3.16Å; I76-F99 HydrophobicContact CG1-CZ 4.47Å
77	L	89.1	Confident	90.1	Very high	109 Å²	109	65.1 Å²	65.1	57%	0.571	30%	0.295	S	S	*	.	H	α-helix	trans	-60.7	-36.6	-176.8	-173.2	63.5	0	0	0	112.6	R73 R74	R73-L77 PolarHBondContact O-N 3.23Å; R74-L77 PolarHBondContact O-N 2.84Å
78	N	87.1	Confident	89.6	Confident	43 Å²	43	67.7 Å²	67.7	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-87.4	-38.2	-176.6	-69.9	-8.2	0	0	0	113.7	D32 R74 K75 I76 K87	D32-N78 PolarHBondContact OD2-ND2 3.19Å; D32-N78 VanDerWaalsContact OD2-ND2 3.08Å; R74-N78 PolarHBondContact O-N 2.91Å; R74-N78 VanDerWaalsContact O-N 3.11Å; K75-N78 PolarHBondContact O-N 2.69Å; I76-N78 VanDerWaalsContact C-N 3.26Å; I76-N78 PolarHBondContact O-N 3.37Å; N78-K87 PolarHBondContact O-NZ 3.37Å
79	H	88.9	Confident	89	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-117.6	0.5	-166	-58.5	-70.6	0	0	0	115.4	E34 L37 K75 R84 Y98 F99 I102	E34-H79 IonicContact OE1-CE1 2.7Å; L37-H79 WeakPolarHBondContact CD1-NE2 3.3Å; K75-H79 WeakPolarHBondContact O-CB 3.43Å; K75-H79 PolarHBondContact O-N 3.4Å; H79-R84 WeakPolarHBondContact O-CD 3.39Å; H79-Y98 HydrophobicContact CB-CE2 3.89Å; H79-Y98 AromaticContact CG-CE2 3.92Å; H79-Y98 AromaticContact ND1-CE2 3.74Å; H79-Y98 AromaticContact ND1-CZ 3.89Å; H79-Y98 PolarHBondContact ND1-OH 3.21Å; H79-Y98 VanDerWaalsContact ND1-OH 3.13Å; H79-F99 HydrophobicContact CB-CD2 4.41Å; H79-F99 VanDerWaalsContact O-CD2 3.31Å; H79-F99 WeakPolarHBondContact O-CD2 3.48Å; H79-I102 HydrophobicContact CB-CD1 3.82Å
80	H	89.7	Confident	88.2	Confident	67 Å²	67	74.7 Å²	74.7	31%	0.31	36%	0.356	S	S	.	.			trans	-57.6	138.2	176.3	-171.4	-85.1	0	0	0	110.7	I76 D82 K83 R84 F99	I76-H80 HydrophobicContact CG2-CB 4.26Å; I76-H80 WeakPolarHBondContact O-CB 3.4Å; I76-H80 PolarHBondContact O-N 3.16Å; H80-D82 VanDerWaalsContact ND1-CB 3.31Å; H80-D82 WeakPolarHBondContact ND1-CB 3.21Å; H80-D82 PolarHBondContact ND1-N 3.13Å; H80-D82 PolarHBondContact O-N 3.29Å; H80-D82 VanDerWaalsContact O-N 3.13Å; H80-K83 HydrophobicContact CB-CB 4.41Å; H80-K83 HydrophobicContact CB-CG 4.12Å; H80-K83 WeakPolarHBondContact O-CB 3.25Å; H80-K83 PolarHBondContact O-N 2.86Å; H80-R84 PolarHBondContact O-N 3.23Å; H80-F99 HydrophobicContact CB-CE2 4.12Å; H80-F99 HydrophobicContact CB-CZ 4.38Å; H80-F99 AromaticContact CD2-CZ 3.57Å
81	P	87.9	Confident	87.3	Confident	7 Å²	7	70.1 Å²	70.1	5%	0.045	34%	0.341	C	S	.	.	H	α-helix	trans	-52.2	-40.8	-175.9	19.9	-35.3	0	0	0	112.6	R84 R85 V91	P81-R84 PolarHBondContact O-N 3.25Å; P81-R85 WeakPolarHBondContact O-CB 3.48Å; P81-R85 VanDerWaalsContact O-CG 3.26Å; P81-R85 WeakPolarHBondContact O-CG 3.37Å; P81-R85 PolarHBondContact O-N 2.68Å; P81-V91 HydrophobicContact CB-CG1 3.7Å
82	D	86.8	Confident	86.2	Confident	87 Å²	87	75.2 Å²	75.2	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-42.2	175.5	-172.1	41.3	0	0	0	113.7	H80 R84 S86	H80-D82 VanDerWaalsContact ND1-CB 3.31Å; H80-D82 WeakPolarHBondContact ND1-CB 3.21Å; H80-D82 PolarHBondContact ND1-N 3.13Å; H80-D82 PolarHBondContact O-N 3.29Å; H80-D82 VanDerWaalsContact O-N 3.13Å; D82-R84 PolarHBondContact O-N 3.1Å; D82-S86 WeakPolarHBondContact O-CB 3.49Å; D82-S86 PolarHBondContact O-N 2.95Å; D82-S86 PolarHBondContact O-OG 3.29Å
83	K	86.1	Confident	85.2	Confident	98 Å²	98	79.1 Å²	79.1	43%	0.426	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-35.9	177.9	-63.8	-64.2	-177.5	-170.9	0	111.6	H80 S86 K87	H80-K83 HydrophobicContact CB-CB 4.41Å; H80-K83 HydrophobicContact CB-CG 4.12Å; H80-K83 WeakPolarHBondContact O-CB 3.25Å; H80-K83 PolarHBondContact O-N 2.86Å; K83-S86 WeakPolarHBondContact O-CB 3.43Å; K83-S86 PolarHBondContact O-N 2.84Å; K83-K87 WeakPolarHBondContact O-CG 3.38Å; K83-K87 PolarHBondContact O-N 3.48Å
84	R	86.7	Confident	84	Confident	11 Å²	11	77.9 Å²	77.9	4%	0.042	39%	0.389	C	S	.	.	H	α-helix	trans	-72	-42.5	176.2	-74.3	171.8	59.7	-155.7	-7.1	112.6	H79 H80 P81 D82 S86 K87 G88 E89 V91 D97 Y98	H79-R84 WeakPolarHBondContact O-CD 3.39Å; H80-R84 PolarHBondContact O-N 3.23Å; P81-R84 PolarHBondContact O-N 3.25Å; D82-R84 PolarHBondContact O-N 3.1Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact O-N 3.17Å; R84-K87 CarbonylContact O-C 3.51Å; R84-K87 WeakPolarHBondContact O-CA 3.2Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.01Å; R84-G88 PolarHBondContact O-N 2.79Å; R84-E89 HydrophobicContact CB-CB 4.16Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact CZ-OE2 3.71Å; R84-E89 IonicContact NE-OE2 2.88Å; R84-E89 PolarHBondContact NE-OE2 2.87Å; R84-E89 PolarHBondContact O-N 2.73Å; R84-V91 HydrophobicContact CB-CG2 3.78Å; R84-D97 IonicContact CZ-OD1 2.95Å; R84-D97 IonicContact CZ-OD2 3.13Å; R84-D97 IonicContact NH1-OD1 2.61Å; R84-D97 PolarHBondContact NH1-OD1 3.33Å; R84-D97 IonicContact NH1-OD2 3.92Å; R84-D97 PolarHBondContact NH1-OD2 3.45Å; R84-D97 IonicContact NH2-OD1 3.51Å; R84-D97 PolarHBondContact NH2-OD1 2.82Å; R84-Y98 VanDerWaalsContact CD-OH 3.29Å; R84-Y98 WeakPolarHBondContact CD-OH 3.32Å; R84-Y98 VanDerWaalsContact CZ-OH 3.31Å; R84-Y98 PolarHBondContact NE-OH 2.82Å; R84-Y98 VanDerWaalsContact NE-OH 3.16Å; R84-Y98 VanDerWaalsContact NH1-CZ 3.27Å; R84-Y98 PolarHBondContact NH1-OH 3.14Å
85	R	86.7	Confident	83	Confident	129 Å²	129	80 Å²	80	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-58.2	-40.7	170.8	-72.6	174.1	-168.2	152.6	4.7	111.3	P81 K87 G88 V91	P81-R85 WeakPolarHBondContact O-CB 3.48Å; P81-R85 VanDerWaalsContact O-CG 3.26Å; P81-R85 WeakPolarHBondContact O-CG 3.37Å; P81-R85 PolarHBondContact O-N 2.68Å; R85-K87 VanDerWaalsContact C-N 3.26Å; R85-K87 PolarHBondContact O-N 2.91Å; R85-G88 PolarHBondContact O-N 3.16Å; R85-V91 HydrophobicContact CG-CB 4.24Å; R85-V91 HydrophobicContact CG-CG2 3.88Å
86	S	86.6	Confident	82.2	Confident	95 Å²	95	83.5 Å²	83.5	66%	0.664	42%	0.421	S	S	*	.	H	α-helix	trans	-63.8	-28.3	174.8	-60.1	0	0	0	0	113.4	D82 K83 R84 G88	D82-S86 WeakPolarHBondContact O-CB 3.49Å; D82-S86 PolarHBondContact O-N 2.95Å; D82-S86 PolarHBondContact O-OG 3.29Å; K83-S86 WeakPolarHBondContact O-CB 3.43Å; K83-S86 PolarHBondContact O-N 2.84Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact O-N 3.17Å; S86-G88 VanDerWaalsContact C-N 3.29Å
87	K	85.6	Confident	81.9	Confident	123 Å²	123	81.6 Å²	81.6	54%	0.535	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.9	172.5	-68.7	172.7	179.9	177.4	0	113.2	N78 K83 R84 R85	N78-K87 PolarHBondContact O-NZ 3.37Å; K83-K87 WeakPolarHBondContact O-CG 3.38Å; K83-K87 PolarHBondContact O-N 3.48Å; R84-K87 CarbonylContact O-C 3.51Å; R84-K87 WeakPolarHBondContact O-CA 3.2Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.01Å; R85-K87 VanDerWaalsContact C-N 3.26Å; R85-K87 PolarHBondContact O-N 2.91Å
88	G	83.1	Confident	81.8	Confident	68 Å²	68	76.8 Å²	76.8	70%	0.701	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	12.9	-178	0	0	0	0	0	114.9	R84 R85 S86	R84-G88 PolarHBondContact O-N 2.79Å; R85-G88 PolarHBondContact O-N 3.16Å; S86-G88 VanDerWaalsContact C-N 3.29Å
89	E	81.4	Confident	82	Confident	60 Å²	60	76 Å²	76	28%	0.28	38%	0.38	S	S	.	.			trans	-77.7	141.1	175.9	-64.6	-178.6	-168	0	0	111.6	R84 V91	R84-E89 HydrophobicContact CB-CB 4.16Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact CZ-OE2 3.71Å; R84-E89 IonicContact NE-OE2 2.88Å; R84-E89 PolarHBondContact NE-OE2 2.87Å; R84-E89 PolarHBondContact O-N 2.73Å; E89-V91 PolarHBondContact O-N 3.41Å
90	F	76.3	Confident	82.2	Confident	173 Å²	173	77.1 Å²	77.1	76%	0.759	39%	0.388	S	S	*	.			trans	-70.7	124.5	168.2	-177.3	-101	0	0	0	109.7	Q92	F90-Q92 HydrophobicContact CD1-CG 4.38Å; F90-Q92 HydrophobicContact CE1-CG 3.83Å
91	V	75	Confident	82.3	Confident	17 Å²	17	74 Å²	74	10%	0.103	37%	0.373	C	S	.	.			trans	-113.7	118.5	178.7	179.7	0	0	0	0	107.5	P81 R84 R85 E89	P81-V91 HydrophobicContact CB-CG1 3.7Å; R84-V91 HydrophobicContact CB-CG2 3.78Å; R85-V91 HydrophobicContact CG-CB 4.24Å; R85-V91 HydrophobicContact CG-CG2 3.88Å; E89-V91 PolarHBondContact O-N 3.41Å
92	Q	69.9	Low	82.6	Confident	108 Å²	108	73.6 Å²	73.6	51%	0.505	37%	0.371	S	S	.	.			trans	-64.3	176.6	172.5	-72.7	-174.3	-13.8	0	0	111	F90 E94 D97	F90-Q92 HydrophobicContact CD1-CG 4.38Å; F90-Q92 HydrophobicContact CE1-CG 3.83Å; Q92-E94 PolarHBondContact O-N 2.89Å; Q92-D97 HydrophobicContact CB-CB 4.49Å
93	D	73.7	Confident	82.9	Confident	125 Å²	125	71.7 Å²	71.7	67%	0.668	36%	0.362	S	S	*	.			trans	-50.8	138.7	171.8	-119.4	-6.4	0	0	0	111	K95 L96 D97	D93-K95 PolarHBondContact O-N 2.98Å; D93-L96 HydrophobicContact CB-CD1 4.38Å; D93-L96 PolarHBondContact O-N 3.06Å; D93-D97 PolarHBondContact O-N 3.07Å; D93-D97 VanDerWaalsContact O-N 3.11Å
94	E	68.7	Low	83.3	Confident	124 Å²	124	68.3 Å²	68.3	58%	0.579	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	-170.8	-64.8	-179.2	169.7	0	0	113.4	Q92	Q92-E94 PolarHBondContact O-N 2.89Å
95	K	71.4	Confident	83.7	Confident	177 Å²	177	67.8 Å²	67.8	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-21.3	178.4	-62.8	-176.9	-179	178.4	0	113.9	D93	D93-K95 PolarHBondContact O-N 2.98Å
96	L	74.1	Confident	84.2	Confident	81 Å²	81	65 Å²	65	42%	0.424	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-12.1	-175.6	-65.1	174.5	0	0	0	112.9	P42 D93	P42-L96 WeakPolarHBondContact CD-O 3.47Å; P42-L96 WeakPolarHBondContact CG-O 3.23Å; D93-L96 HydrophobicContact CB-CD1 4.38Å; D93-L96 PolarHBondContact O-N 3.06Å
97	D	86.2	Confident	84.6	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.053	33%	0.328	C	S	.	.	S	Bend	trans	-84	149.8	177	-176.7	85.1	0	0	0	112.4	P42 R84 Q92 D93 F99 S100	P42-D97 WeakPolarHBondContact CG-O 3.4Å; R84-D97 IonicContact CZ-OD1 2.95Å; R84-D97 IonicContact CZ-OD2 3.13Å; R84-D97 IonicContact NH1-OD1 2.61Å; R84-D97 PolarHBondContact NH1-OD1 3.33Å; R84-D97 IonicContact NH1-OD2 3.92Å; R84-D97 PolarHBondContact NH1-OD2 3.45Å; R84-D97 IonicContact NH2-OD1 3.51Å; R84-D97 PolarHBondContact NH2-OD1 2.82Å; Q92-D97 HydrophobicContact CB-CB 4.49Å; D93-D97 PolarHBondContact O-N 3.07Å; D93-D97 VanDerWaalsContact O-N 3.11Å; D97-F99 PolarHBondContact O-N 2.95Å; D97-F99 VanDerWaalsContact OD2-CB 3.26Å; D97-F99 WeakPolarHBondContact OD2-CB 3.3Å; D97-F99 PolarHBondContact OD2-N 2.96Å; D97-S100 VanDerWaalsContact O-CB 3.29Å; D97-S100 WeakPolarHBondContact O-CB 3.14Å; D97-S100 PolarHBondContact O-N 2.98Å
98	Y	86.9	Confident	85.1	Confident	9 Å²	9	60.1 Å²	60.1	4%	0.035	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.1	-180	70.3	-97.1	0	0	0	114.1	L37 K38 H79 R84 S100 C101 I102	L37-Y98 HydrophobicContact CB-CD2 3.79Å; L37-Y98 HydrophobicContact CB-CE2 3.98Å; L37-Y98 HydrophobicContact CB-CG 4.42Å; L37-Y98 HydrophobicContact CD1-CE2 4.41Å; L37-Y98 WeakPolarHBondContact O-CB 3.47Å; K38-Y98 HydrophobicContact CG-CD1 4.17Å; K38-Y98 HydrophobicContact CG-CE1 3.71Å; H79-Y98 HydrophobicContact CB-CE2 3.89Å; H79-Y98 AromaticContact CG-CE2 3.92Å; H79-Y98 AromaticContact ND1-CE2 3.74Å; H79-Y98 AromaticContact ND1-CZ 3.89Å; H79-Y98 PolarHBondContact ND1-OH 3.21Å; H79-Y98 VanDerWaalsContact ND1-OH 3.13Å; R84-Y98 VanDerWaalsContact CD-OH 3.29Å; R84-Y98 WeakPolarHBondContact CD-OH 3.32Å; R84-Y98 VanDerWaalsContact CZ-OH 3.31Å; R84-Y98 PolarHBondContact NE-OH 2.82Å; R84-Y98 VanDerWaalsContact NE-OH 3.16Å; R84-Y98 VanDerWaalsContact NH1-CZ 3.27Å; R84-Y98 PolarHBondContact NH1-OH 3.14Å; Y98-S100 PolarHBondContact O-N 3.14Å; Y98-C101 WeakPolarHBondContact O-CA 3.39Å; Y98-C101 WeakPolarHBondContact O-CB 3.42Å; Y98-C101 PolarHBondContact O-N 3.02Å; Y98-I102 HydrophobicContact CD2-CD1 4.18Å; Y98-I102 HydrophobicContact CE2-CD1 4.22Å; Y98-I102 PolarHBondContact O-N 3.49Å
99	F	91.1	Very high	85.7	Confident	26 Å²	26	57 Å²	57	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-31.7	171.5	-174	-101.7	0	0	0	112.3	I76 H79 H80 D97 C101 I102 T103	I76-F99 HydrophobicContact CG1-CZ 4.47Å; H79-F99 HydrophobicContact CB-CD2 4.41Å; H79-F99 VanDerWaalsContact O-CD2 3.31Å; H79-F99 WeakPolarHBondContact O-CD2 3.48Å; H80-F99 HydrophobicContact CB-CE2 4.12Å; H80-F99 HydrophobicContact CB-CZ 4.38Å; H80-F99 AromaticContact CD2-CZ 3.57Å; D97-F99 PolarHBondContact O-N 2.95Å; D97-F99 VanDerWaalsContact OD2-CB 3.26Å; D97-F99 WeakPolarHBondContact OD2-CB 3.3Å; D97-F99 PolarHBondContact OD2-N 2.96Å; F99-C101 VanDerWaalsContact C-N 3.28Å; F99-C101 PolarHBondContact O-N 2.77Å; F99-I102 HydrophobicContact CD2-CD1 4.23Å; F99-I102 WeakPolarHBondContact O-CB 3.47Å; F99-I102 PolarHBondContact O-N 3.19Å; F99-I102 VanDerWaalsContact O-N 3.1Å; F99-T103 HydrophobicContact CD1-CG2 4.17Å; F99-T103 HydrophobicContact CE1-CG2 3.73Å; F99-T103 HydrophobicContact CZ-CG2 4.17Å; F99-T103 PolarHBondContact O-N 3.08Å; F99-T103 VanDerWaalsContact O-N 3.13Å
100	S	91.6	Very high	86.3	Confident	25 Å²	25	55.9 Å²	55.9	18%	0.175	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-35.5	172.1	-173.2	0	0	0	0	112.2	D97 Y98 I102 T103 I104	D97-S100 VanDerWaalsContact O-CB 3.29Å; D97-S100 WeakPolarHBondContact O-CB 3.14Å; D97-S100 PolarHBondContact O-N 2.98Å; Y98-S100 PolarHBondContact O-N 3.14Å; S100-I102 VanDerWaalsContact C-N 3.32Å; S100-I102 PolarHBondContact O-N 3.35Å; S100-T103 PolarHBondContact O-N 3.23Å; S100-T103 PolarHBondContact O-OG1 3.46Å; S100-I104 WeakPolarHBondContact O-CB 3.43Å; S100-I104 WeakPolarHBondContact O-CD1 3.2Å; S100-I104 VanDerWaalsContact O-CG1 3.24Å; S100-I104 WeakPolarHBondContact O-CG1 3.44Å; S100-I104 PolarHBondContact O-N 2.9Å
101	C	93.5	Very high	87.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-38.8	173.6	-54.7	0	0	0	0	111.4	L40 Q48 V53 Y98 F99 I104 A105	L40-C101 HydrophobicContact CB-CB 4.44Å; L40-C101 HydrophobicContact CD1-CB 4.01Å; Q48-C101 PolarHBondContact NE2-SG 2.74Å; Q48-C101 VanDerWaalsContact NE2-SG 3.37Å; Q48-C101 VanDerWaalsContact OE1-CB 3.29Å; Q48-C101 PolarHBondContact OE1-SG 2.96Å; V53-C101 HydrophobicContact CG1-CB 4.36Å; Y98-C101 WeakPolarHBondContact O-CA 3.39Å; Y98-C101 WeakPolarHBondContact O-CB 3.42Å; Y98-C101 PolarHBondContact O-N 3.02Å; F99-C101 VanDerWaalsContact C-N 3.28Å; F99-C101 PolarHBondContact O-N 2.77Å; C101-I104 PolarHBondContact O-N 3.15Å; C101-A105 VanDerWaalsContact O-CB 3.3Å; C101-A105 WeakPolarHBondContact O-CB 3.23Å; C101-A105 PolarHBondContact O-N 2.95Å
102	I	93.3	Very high	88	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-42.6	178.1	-65.2	164.5	0	0	0	111.2	L37 V53 L54 Y72 K75 H79 Y98 F99 S100 A105 Y106	L37-I102 HydrophobicContact CD1-CD1 4.26Å; L37-I102 HydrophobicContact CD2-CG1 4.34Å; V53-I102 HydrophobicContact CG1-CB 4.33Å; V53-I102 HydrophobicContact CG1-CG1 3.86Å; L54-I102 HydrophobicContact CD2-CG2 4.2Å; Y72-I102 HydrophobicContact CD2-CG2 3.94Å; Y72-I102 HydrophobicContact CE2-CG2 3.97Å; K75-I102 HydrophobicContact CB-CD1 4.24Å; K75-I102 HydrophobicContact CB-CG2 3.74Å; K75-I102 HydrophobicContact CG-CG2 4.48Å; H79-I102 HydrophobicContact CB-CD1 3.82Å; Y98-I102 HydrophobicContact CD2-CD1 4.18Å; Y98-I102 HydrophobicContact CE2-CD1 4.22Å; Y98-I102 PolarHBondContact O-N 3.49Å; F99-I102 HydrophobicContact CD2-CD1 4.23Å; F99-I102 WeakPolarHBondContact O-CB 3.47Å; F99-I102 PolarHBondContact O-N 3.19Å; F99-I102 VanDerWaalsContact O-N 3.1Å; S100-I102 VanDerWaalsContact C-N 3.32Å; S100-I102 PolarHBondContact O-N 3.35Å; I102-A105 PolarHBondContact O-N 3.15Å; I102-Y106 PolarHBondContact O-N 3.15Å; I102-Y106 VanDerWaalsContact O-N 3.14Å
103	T	93.8	Very high	89	Confident	47 Å²	47	51.2 Å²	51.2	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-66.8	-43.5	178.7	57.5	0	0	0	0	111.4	F99 S100 Y106 E107	F99-T103 HydrophobicContact CD1-CG2 4.17Å; F99-T103 HydrophobicContact CE1-CG2 3.73Å; F99-T103 HydrophobicContact CZ-CG2 4.17Å; F99-T103 PolarHBondContact O-N 3.08Å; F99-T103 VanDerWaalsContact O-N 3.13Å; S100-T103 PolarHBondContact O-N 3.23Å; S100-T103 PolarHBondContact O-OG1 3.46Å; T103-Y106 PolarHBondContact O-N 3.24Å; T103-E107 PolarHBondContact O-N 3.31Å
104	I	94.3	Very high	90	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.138	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-44.6	175.9	-68.1	167.9	0	0	0	111.1	W45 S100 C101 Y106 E107 I108	W45-I104 HydrophobicContact CB-CD1 3.82Å; W45-I104 HydrophobicContact CB-CG2 4.21Å; W45-I104 HydrophobicContact CD2-CD1 4.22Å; W45-I104 HydrophobicContact CD2-CG2 3.72Å; W45-I104 HydrophobicContact CE3-CG2 3.37Å; W45-I104 HydrophobicContact CG-CD1 3.72Å; W45-I104 HydrophobicContact CG-CG2 4.12Å; W45-I104 HydrophobicContact CZ3-CG2 3.99Å; S100-I104 WeakPolarHBondContact O-CB 3.43Å; S100-I104 WeakPolarHBondContact O-CD1 3.2Å; S100-I104 VanDerWaalsContact O-CG1 3.24Å; S100-I104 WeakPolarHBondContact O-CG1 3.44Å; S100-I104 PolarHBondContact O-N 2.9Å; C101-I104 PolarHBondContact O-N 3.15Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 2.67Å; I104-E107 WeakPolarHBondContact O-CB 3.33Å; I104-E107 PolarHBondContact O-N 3.22Å; I104-E107 VanDerWaalsContact O-N 3.13Å; I104-I108 HydrophobicContact CG2-CD1 3.67Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.18Å
105	A	95.3	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-41.3	177.7	0	0	0	0	0	111.9	H50 V53 L54 C101 I102 I108 L109	H50-A105 HydrophobicContact CB-CB 3.94Å; V53-A105 HydrophobicContact CB-CB 3.83Å; V53-A105 HydrophobicContact CG1-CB 3.69Å; L54-A105 HydrophobicContact CD2-CB 4.15Å; L54-A105 HydrophobicContact CG-CB 4.03Å; C101-A105 VanDerWaalsContact O-CB 3.3Å; C101-A105 WeakPolarHBondContact O-CB 3.23Å; C101-A105 PolarHBondContact O-N 2.95Å; I102-A105 PolarHBondContact O-N 3.15Å; A105-I108 PolarHBondContact O-N 3.3Å; A105-L109 VanDerWaalsContact O-CB 3.3Å; A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 2.73Å
106	Y	96.4	Very high	92.3	Very high	70 Å²	70	37.7 Å²	37.7	28%	0.275	20%	0.202	S	C	.	.	H	α-helix	trans	-71.4	-34.4	174.5	179.9	-108.6	0	0	0	113.2	I68 K69 Y72 I102 T103 I104 I108 G110	I68-Y106 HydrophobicContact CG2-CD2 4.02Å; I68-Y106 HydrophobicContact CG2-CE2 4.26Å; K69-Y106 HydrophobicContact CG-CE2 4.25Å; Y72-Y106 VanDerWaalsContact CB-CD2 3.49Å; Y72-Y106 AromaticContact CD1-CD1 3.54Å; Y72-Y106 HydrophobicContact CD1-CD1 3.54Å; Y72-Y106 AromaticContact CD1-CD2 3.61Å; Y72-Y106 HydrophobicContact CD1-CD2 3.61Å; Y72-Y106 AromaticContact CD1-CE1 3.73Å; Y72-Y106 HydrophobicContact CD1-CE1 3.73Å; Y72-Y106 AromaticContact CD1-CE2 3.8Å; Y72-Y106 HydrophobicContact CD1-CE2 3.8Å; Y72-Y106 AromaticContact CD1-CG 3.47Å; Y72-Y106 HydrophobicContact CD1-CG 3.47Å; Y72-Y106 VanDerWaalsContact CD1-CG 3.47Å; Y72-Y106 AromaticContact CD1-CZ 3.85Å; Y72-Y106 HydrophobicContact CD2-CD1 4.27Å; Y72-Y106 HydrophobicContact CD2-CD2 4.13Å; Y72-Y106 AromaticContact CD2-CG 3.67Å; Y72-Y106 HydrophobicContact CD2-CG 3.67Å; Y72-Y106 AromaticContact CE1-CD1 3.38Å; Y72-Y106 HydrophobicContact CE1-CD1 3.38Å; Y72-Y106 HydrophobicContact CE1-CD2 4.33Å; Y72-Y106 AromaticContact CE1-CE1 3.66Å; Y72-Y106 HydrophobicContact CE1-CE1 3.66Å; Y72-Y106 AromaticContact CE1-CG 3.75Å; Y72-Y106 HydrophobicContact CE1-CG 3.75Å; Y72-Y106 HydrophobicContact CE2-CD1 4.14Å; Y72-Y106 AromaticContact CE2-CG 3.94Å; Y72-Y106 HydrophobicContact CE2-CG 3.94Å; Y72-Y106 AromaticContact CG-CD1 3.98Å; Y72-Y106 HydrophobicContact CG-CD1 3.98Å; Y72-Y106 AromaticContact CG-CD2 3.48Å; Y72-Y106 HydrophobicContact CG-CD2 3.48Å; Y72-Y106 VanDerWaalsContact CG-CD2 3.48Å; Y72-Y106 HydrophobicContact CG-CE2 4.08Å; Y72-Y106 AromaticContact CG-CG 3.41Å; Y72-Y106 HydrophobicContact CG-CG 3.41Å; Y72-Y106 VanDerWaalsContact CG-CG 3.41Å; Y72-Y106 AromaticContact CZ-CD1 3.71Å; Y72-Y106 AromaticContact CZ-CG 3.98Å; I102-Y106 PolarHBondContact O-N 3.15Å; I102-Y106 VanDerWaalsContact O-N 3.14Å; T103-Y106 PolarHBondContact O-N 3.24Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 2.67Å; Y106-I108 VanDerWaalsContact C-N 3.25Å; Y106-I108 PolarHBondContact O-N 2.84Å; Y106-G110 WeakPolarHBondContact O-CA 3.08Å; Y106-G110 PolarHBondContact O-N 2.84Å
107	E	95.4	Very high	93.3	Very high	106 Å²	106	34 Å²	34	50%	0.495	18%	0.183	S	C	.	.	H	α-helix	trans	-61.3	-38.1	174.7	-168.5	-171.8	152.9	0	0	111.7	T103 I104 N111 K114	T103-E107 PolarHBondContact O-N 3.31Å; I104-E107 WeakPolarHBondContact O-CB 3.33Å; I104-E107 PolarHBondContact O-N 3.22Å; I104-E107 VanDerWaalsContact O-N 3.13Å; E107-N111 WeakPolarHBondContact O-CB 3.36Å; E107-K114 IonicContact OE1-NZ 2.86Å; E107-K114 PolarHBondContact OE1-NZ 3.42Å
108	I	95.6	Very high	93.7	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-77.6	-54.4	179.1	-64.7	161.2	0	0	0	110.7	W45 H50 I104 A105 Y106 K114 R115 Y118 Y191	W45-I108 HydrophobicContact CE3-CD1 3.98Å; W45-I108 HydrophobicContact CZ3-CD1 3.57Å; H50-I108 WeakPolarHBondContact NE2-CD1 3.37Å; I104-I108 HydrophobicContact CG2-CD1 3.67Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.18Å; A105-I108 PolarHBondContact O-N 3.3Å; Y106-I108 VanDerWaalsContact C-N 3.25Å; Y106-I108 PolarHBondContact O-N 2.84Å; I108-K114 HydrophobicContact CG2-CB 4.47Å; I108-K114 CarbonylContact O-C 3.52Å; I108-K114 WeakPolarHBondContact O-CB 3.36Å; I108-R115 WeakPolarHBondContact O-CA 2.95Å; I108-R115 PolarHBondContact O-N 3.13Å; I108-Y118 HydrophobicContact CG2-CG 4.14Å; I108-Y191 HydrophobicContact CD1-CE2 4.13Å; I108-Y191 HydrophobicContact CG2-CE2 4.42Å
109	L	96.2	Very high	94.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-76.9	-28.7	-174.3	-64	-179.1	0	0	0	113.3	H50 Y51 L54 I68 A105 R115 Y118	H50-L109 HydrophobicContact CB-CD1 3.78Å; H50-L109 HydrophobicContact CB-CD2 4.32Å; H50-L109 HydrophobicContact CB-CG 3.9Å; H50-L109 WeakPolarHBondContact O-CD1 3.48Å; Y51-L109 HydrophobicContact CD1-CD1 3.58Å; Y51-L109 HydrophobicContact CD1-CD2 4.22Å; Y51-L109 HydrophobicContact CD2-CD2 4.28Å; Y51-L109 HydrophobicContact CE1-CD1 3.81Å; Y51-L109 HydrophobicContact CE1-CD2 3.72Å; Y51-L109 HydrophobicContact CE1-CG 4.34Å; Y51-L109 HydrophobicContact CE2-CD2 3.79Å; Y51-L109 HydrophobicContact CG-CD1 3.97Å; Y51-L109 HydrophobicContact CG-CD2 4.47Å; Y51-L109 VanDerWaalsContact CZ-CD2 3.48Å; L54-L109 HydrophobicContact CD1-CB 4.33Å; L54-L109 HydrophobicContact CD1-CD1 3.77Å; L54-L109 HydrophobicContact CG-CD1 4.38Å; I68-L109 HydrophobicContact CD1-CB 4.15Å; I68-L109 WeakPolarHBondContact CD1-O 3.3Å; I68-L109 HydrophobicContact CG2-CB 3.96Å; A105-L109 VanDerWaalsContact O-CB 3.3Å; A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 2.73Å; L109-R115 HydrophobicContact CD2-CG 4.16Å; L109-R115 WeakPolarHBondContact O-CD 3.42Å; L109-Y118 HydrophobicContact CD2-CD1 3.86Å; L109-Y118 HydrophobicContact CD2-CE1 4.31Å
110	G	93.6	Very high	94.3	Very high	35 Å²	35	32.5 Å²	32.5	36%	0.361	18%	0.177	S	C	.	.	H	α-helix	trans	-76.2	-25	179.5	0	0	0	0	0	113.5	Y106	Y106-G110 WeakPolarHBondContact O-CA 3.08Å; Y106-G110 PolarHBondContact O-N 2.84Å
111	N	93.5	Very high	94.3	Very high	68 Å²	68	32.4 Å²	32.4	36%	0.364	18%	0.175	S	C	.	.	S	Bend	trans	-91.8	118.7	173.6	-178	-44.8	0	0	0	110	E107 V113 K114 R115	E107-N111 WeakPolarHBondContact O-CB 3.36Å; N111-V113 VanDerWaalsContact C-N 3.26Å; N111-V113 PolarHBondContact O-N 3.35Å; N111-V113 VanDerWaalsContact O-N 3.14Å; N111-V113 WeakPolarHBondContact OD1-CB 3.17Å; N111-V113 PolarHBondContact OD1-N 3.3Å; N111-K114 HydrophobicContact CB-CB 4.13Å; N111-K114 HydrophobicContact CB-CD 4.39Å; N111-K114 HydrophobicContact CB-CG 4.21Å; N111-K114 PolarHBondContact O-N 3.03Å; N111-K114 PolarHBondContact OD1-N 3.2Å; N111-R115 VanDerWaalsContact O-CB 3.23Å; N111-R115 WeakPolarHBondContact O-CB 3.43Å; N111-R115 PolarHBondContact O-N 3.36Å
112	P	93.1	Very high	94.3	Very high	52 Å²	52	32.4 Å²	32.4	34%	0.338	18%	0.175	S	C	.	.	H	α-helix	trans	-56.1	-35.3	-176.6	-27.2	34.9	0	0	0	114.8	L116	P112-L116 WeakPolarHBondContact O-CB 3.47Å; P112-L116 PolarHBondContact O-N 3.38Å
113	V	92.5	Very high	94	Very high	81 Å²	81	37.4 Å²	37.4	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-73	-47.6	-179.3	180	0	0	0	0	110.6	N111 R115 L116 A117	N111-V113 VanDerWaalsContact C-N 3.26Å; N111-V113 PolarHBondContact O-N 3.35Å; N111-V113 VanDerWaalsContact O-N 3.14Å; N111-V113 WeakPolarHBondContact OD1-CB 3.17Å; N111-V113 PolarHBondContact OD1-N 3.3Å; V113-R115 VanDerWaalsContact C-N 3.29Å; V113-R115 PolarHBondContact O-N 2.81Å; V113-L116 PolarHBondContact O-N 3.06Å; V113-A117 PolarHBondContact O-N 2.9Å; V113-A117 VanDerWaalsContact O-N 3.08Å
114	K	94.1	Very high	93.7	Very high	87 Å²	87	39.7 Å²	39.7	38%	0.378	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-36.3	176.8	-65.6	-171.3	176	-171.2	0	111.3	E107 I108 N111 A117 Y118	E107-K114 IonicContact OE1-NZ 2.86Å; E107-K114 PolarHBondContact OE1-NZ 3.42Å; I108-K114 HydrophobicContact CG2-CB 4.47Å; I108-K114 CarbonylContact O-C 3.52Å; I108-K114 WeakPolarHBondContact O-CB 3.36Å; N111-K114 HydrophobicContact CB-CB 4.13Å; N111-K114 HydrophobicContact CB-CD 4.39Å; N111-K114 HydrophobicContact CB-CG 4.21Å; N111-K114 PolarHBondContact O-N 3.03Å; N111-K114 PolarHBondContact OD1-N 3.2Å; K114-A117 PolarHBondContact O-N 3.38Å; K114-Y118 PolarHBondContact O-N 2.69Å
115	R	95.8	Very high	93.4	Very high	20 Å²	20	40.1 Å²	40.1	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-48	174.9	-176.6	-175.7	177	177.4	5.8	111.1	Y51 R60 F61 A63 I68 I108 L109 N111 V113 A117 Y118 D119	Y51-R115 PolarHBondContact OH-NE 3.29Å; Y51-R115 PolarHBondContact OH-NH2 3.4Å; Y51-R115 VanDerWaalsContact OH-NH2 3.15Å; R60-R115 PolarHBondContact O-NH2 2.87Å; F61-R115 PolarHBondContact O-NH2 2.86Å; F61-R115 VanDerWaalsContact O-NH2 3.08Å; A63-R115 PolarHBondContact O-NH1 2.94Å; A63-R115 PolarHBondContact O-NH2 3.22Å; I68-R115 VanDerWaalsContact CD1-CZ 3.47Å; I68-R115 VanDerWaalsContact CD1-NH1 3.25Å; I108-R115 WeakPolarHBondContact O-CA 2.95Å; I108-R115 PolarHBondContact O-N 3.13Å; L109-R115 HydrophobicContact CD2-CG 4.16Å; L109-R115 WeakPolarHBondContact O-CD 3.42Å; N111-R115 VanDerWaalsContact O-CB 3.23Å; N111-R115 WeakPolarHBondContact O-CB 3.43Å; N111-R115 PolarHBondContact O-N 3.36Å; V113-R115 VanDerWaalsContact C-N 3.29Å; V113-R115 PolarHBondContact O-N 2.81Å; R115-A117 VanDerWaalsContact C-N 3.29Å; R115-A117 PolarHBondContact O-N 2.92Å; R115-Y118 PolarHBondContact O-N 3.27Å; R115-D119 IonicContact NE-OD2 3.33Å; R115-D119 PolarHBondContact NE-OD2 3.06Å; R115-D119 VanDerWaalsContact O-CB 3.29Å; R115-D119 WeakPolarHBondContact O-CB 3.29Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.06Å
116	L	93.2	Very high	93.1	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-43.6	176.5	177.6	66	0	0	0	111.5	Y6 P112 V113 Y118 D119 S120 W154	Y6-L116 HydrophobicContact CD2-CD1 4.39Å; Y6-L116 HydrophobicContact CE2-CD1 4.28Å; P112-L116 WeakPolarHBondContact O-CB 3.47Å; P112-L116 PolarHBondContact O-N 3.38Å; V113-L116 PolarHBondContact O-N 3.06Å; L116-Y118 VanDerWaalsContact C-N 3.34Å; L116-Y118 PolarHBondContact O-N 2.83Å; L116-D119 PolarHBondContact O-N 2.76Å; L116-S120 VanDerWaalsContact O-CB 3.3Å; L116-S120 WeakPolarHBondContact O-CB 3.17Å; L116-S120 PolarHBondContact O-N 3.31Å; L116-S120 PolarHBondContact O-OG 3.25Å; L116-W154 HydrophobicContact CD1-CZ3 4.03Å
117	A	93.9	Very high	92.7	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-41	177.3	0	0	0	0	0	112.3	V113 K114 R115 D188 S190 Y191	V113-A117 PolarHBondContact O-N 2.9Å; V113-A117 VanDerWaalsContact O-N 3.08Å; K114-A117 PolarHBondContact O-N 3.38Å; R115-A117 VanDerWaalsContact C-N 3.29Å; R115-A117 PolarHBondContact O-N 2.92Å; A117-D188 HydrophobicContact CB-CB 4.44Å; A117-S190 WeakPolarHBondContact CB-OG 3.36Å; A117-Y191 WeakPolarHBondContact O-CB 3.31Å
118	Y	95.9	Very high	92.3	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-48.6	175.1	178.6	-108.7	0	0	0	112.2	Q48 D49 H50 Y51 I108 L109 K114 R115 L116 S120 V121 D122 Y191	Q48-Y118 PolarHBondContact O-OH 3.13Å; D49-Y118 WeakPolarHBondContact CA-OH 3.47Å; H50-Y118 HydrophobicContact CB-CE1 4.13Å; H50-Y118 AromaticContact CD2-CD2 3.58Å; H50-Y118 AromaticContact CD2-CE2 3.36Å; H50-Y118 WeakPolarHBondContact CD2-CE2 3.44Å; H50-Y118 AromaticContact CD2-CZ 3.63Å; H50-Y118 PolarHBondContact N-OH 3.08Å; H50-Y118 AromaticContact NE2-CE2 3.97Å; Y51-Y118 HydrophobicContact CD2-CD1 4.46Å; Y51-Y118 AromaticContact CD2-CE1 3.8Å; Y51-Y118 HydrophobicContact CD2-CE1 3.8Å; Y51-Y118 HydrophobicContact CE2-CD1 4.06Å; Y51-Y118 AromaticContact CE2-CE1 3.84Å; Y51-Y118 HydrophobicContact CE2-CE1 3.84Å; I108-Y118 HydrophobicContact CG2-CG 4.14Å; L109-Y118 HydrophobicContact CD2-CD1 3.86Å; L109-Y118 HydrophobicContact CD2-CE1 4.31Å; K114-Y118 PolarHBondContact O-N 2.69Å; R115-Y118 PolarHBondContact O-N 3.27Å; L116-Y118 VanDerWaalsContact C-N 3.34Å; L116-Y118 PolarHBondContact O-N 2.83Å; Y118-S120 PolarHBondContact O-N 3.25Å; Y118-S120 VanDerWaalsContact O-N 3.15Å; Y118-V121 CarbonylContact O-C 3.59Å; Y118-V121 PolarHBondContact O-N 2.78Å; Y118-D122 PolarHBondContact O-N 3.35Å; Y118-Y191 HydrophobicContact CD2-CD1 4.21Å; Y118-Y191 HydrophobicContact CD2-CD2 4.17Å; Y118-Y191 AromaticContact CD2-CE1 3.85Å; Y118-Y191 HydrophobicContact CD2-CE1 3.85Å; Y118-Y191 AromaticContact CD2-CE2 3.81Å; Y118-Y191 HydrophobicContact CD2-CE2 3.81Å; Y118-Y191 HydrophobicContact CD2-CG 4.36Å; Y118-Y191 AromaticContact CD2-CZ 3.65Å; Y118-Y191 HydrophobicContact CE2-CE1 4.26Å
119	D	95.1	Very high	92.1	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.059	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-28	179.3	-76	-7.6	0	0	0	112.1	Y51 R115 L116 V121 V126 W154	Y51-D119 WeakPolarHBondContact CE2-OD1 2.98Å; Y51-D119 VanDerWaalsContact CZ-OD1 3.3Å; Y51-D119 VanDerWaalsContact OH-CG 3.27Å; Y51-D119 PolarHBondContact OH-OD1 3.26Å; Y51-D119 PolarHBondContact OH-OD2 2.95Å; R115-D119 IonicContact NE-OD2 3.33Å; R115-D119 PolarHBondContact NE-OD2 3.06Å; R115-D119 VanDerWaalsContact O-CB 3.29Å; R115-D119 WeakPolarHBondContact O-CB 3.29Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.06Å; L116-D119 PolarHBondContact O-N 2.76Å; D119-V121 PolarHBondContact O-N 2.7Å; D119-V126 VanDerWaalsContact O-CG2 3.26Å; D119-V126 WeakPolarHBondContact O-CG2 3.3Å; D119-W154 HydrophobicContact CB-CH2 4.32Å; D119-W154 VanDerWaalsContact O-CH2 3.3Å; D119-W154 WeakPolarHBondContact O-CH2 3.3Å; D119-W154 WeakPolarHBondContact O-CZ2 3.38Å
120	S	93.9	Very high	91.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.7	174.5	-67.8	0	0	0	0	113	L116 Y118 W154 R187 D188	L116-S120 VanDerWaalsContact O-CB 3.3Å; L116-S120 WeakPolarHBondContact O-CB 3.17Å; L116-S120 PolarHBondContact O-N 3.31Å; L116-S120 PolarHBondContact O-OG 3.25Å; Y118-S120 PolarHBondContact O-N 3.25Å; Y118-S120 VanDerWaalsContact O-N 3.15Å; S120-W154 VanDerWaalsContact CA-CH2 3.43Å; S120-R187 PolarHBondContact O-NE 3.23Å; S120-R187 PolarHBondContact O-NH2 3.42Å; S120-D188 WeakPolarHBondContact CB-O 3.29Å; S120-D188 PolarHBondContact OG-N 2.92Å; S120-D188 VanDerWaalsContact OG-N 3.07Å; S120-D188 PolarHBondContact OG-O 3.44Å
121	V	93	Very high	91.8	Very high	23 Å²	23	44.4 Å²	44.4	14%	0.139	26%	0.26	C	S	.	.	S	Bend	trans	-134.8	19.6	-175.3	-56.4	0	0	0	0	112.4	Y118 D119 P123 Y189 Y191 L192	Y118-V121 CarbonylContact O-C 3.59Å; Y118-V121 PolarHBondContact O-N 2.78Å; D119-V121 PolarHBondContact O-N 2.7Å; V121-P123 VanDerWaalsContact O-CD 3.27Å; V121-P123 WeakPolarHBondContact O-CD 3.24Å; V121-P123 VanDerWaalsContact O-N 3.1Å; V121-Y189 HydrophobicContact CG1-CD1 3.85Å; V121-Y189 HydrophobicContact CG1-CE1 4.31Å; V121-Y191 HydrophobicContact CG2-CD1 3.61Å; V121-Y191 HydrophobicContact CG2-CG 4.07Å; V121-L192 HydrophobicContact CB-CD1 4.29Å; V121-L192 HydrophobicContact CB-CD2 4.36Å; V121-L192 HydrophobicContact CB-CG 4.23Å; V121-L192 HydrophobicContact CG1-CD1 3.68Å; V121-L192 HydrophobicContact CG1-CG 3.88Å; V121-L192 HydrophobicContact CG2-CD2 4.16Å; V121-L192 HydrophobicContact CG2-CG 4.17Å
122	D	92.8	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.264	C	S	.	.			trans	-60.3	111.7	178.7	176.5	-4.6	0	0	0	109.1	R60 Y118 V124 A125 V126	R60-D122 IonicContact CZ-OD1 3.37Å; R60-D122 IonicContact CZ-OD2 2.95Å; R60-D122 IonicContact NE-OD1 3.44Å; R60-D122 IonicContact NE-OD2 3.54Å; R60-D122 PolarHBondContact NE-OD2 3.08Å; R60-D122 VanDerWaalsContact NH2-CG 3.33Å; R60-D122 IonicContact NH2-OD1 3.94Å; R60-D122 PolarHBondContact NH2-OD1 2.85Å; R60-D122 IonicContact NH2-OD2 3.65Å; R60-D122 PolarHBondContact NH2-OD2 3.33Å; Y118-D122 PolarHBondContact O-N 3.35Å; D122-V124 PolarHBondContact O-N 3.16Å; D122-V124 VanDerWaalsContact O-N 3.09Å; D122-V124 PolarHBondContact OD1-N 3.48Å; D122-A125 HydrophobicContact CB-CB 4.12Å; D122-A125 PolarHBondContact O-N 2.97Å; D122-A125 PolarHBondContact OD1-N 3.15Å; D122-A125 VanDerWaalsContact OD2-CB 3.24Å; D122-A125 WeakPolarHBondContact OD2-CB 3.43Å; D122-V126 HydrophobicContact CB-CG2 4.29Å; D122-V126 VanDerWaalsContact O-CB 3.31Å; D122-V126 WeakPolarHBondContact O-CB 3.26Å; D122-V126 PolarHBondContact O-N 3.13Å
123	P	85.7	Confident	91.9	Very high	106 Å²	106	46 Å²	46	69%	0.688	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.7	-172.9	27.7	-35.5	0	0	0	113.4	V121	V121-P123 VanDerWaalsContact O-CD 3.27Å; V121-P123 WeakPolarHBondContact O-CD 3.24Å; V121-P123 VanDerWaalsContact O-N 3.1Å
124	V	88.3	Confident	92	Very high	95 Å²	95	46.3 Å²	46.3	58%	0.576	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-36.6	179.3	-177.1	0	0	0	0	111.3	R60 D122	R60-V124 VanDerWaalsContact CZ-CB 3.45Å; D122-V124 PolarHBondContact O-N 3.16Å; D122-V124 VanDerWaalsContact O-N 3.09Å; D122-V124 PolarHBondContact OD1-N 3.48Å
125	A	87.2	Confident	92	Very high	35 Å²	35	46.4 Å²	46.4	29%	0.289	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-26.6	-174.8	0	0	0	0	0	113.6	F61 D122	F61-A125 HydrophobicContact CD1-CB 4.21Å; F61-A125 HydrophobicContact CE1-CB 4.49Å; D122-A125 HydrophobicContact CB-CB 4.12Å; D122-A125 PolarHBondContact O-N 2.97Å; D122-A125 PolarHBondContact OD1-N 3.15Å; D122-A125 VanDerWaalsContact OD2-CB 3.24Å; D122-A125 WeakPolarHBondContact OD2-CB 3.43Å
126	V	89.2	Confident	91.9	Very high	22 Å²	22	45.5 Å²	45.5	13%	0.133	27%	0.272	C	S	.	.			trans	-99.4	104	-176.6	-174.4	0	0	0	0	109.7	D119 D122 W154 R187	D119-V126 VanDerWaalsContact O-CG2 3.26Å; D119-V126 WeakPolarHBondContact O-CG2 3.3Å; D122-V126 HydrophobicContact CB-CG2 4.29Å; D122-V126 VanDerWaalsContact O-CB 3.31Å; D122-V126 WeakPolarHBondContact O-CB 3.26Å; D122-V126 PolarHBondContact O-N 3.13Å; V126-W154 HydrophobicContact CG2-CZ2 4.25Å; V126-R187 VanDerWaalsContact CG1-NH2 3.27Å
127	D	88.1	Confident	91.9	Very high	82 Å²	82	50.6 Å²	50.6	44%	0.439	29%	0.293	S	S	.	.			trans	-83.3	125.4	162.8	179.7	6.7	0	0	0	108	S129 R150	D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.19Å; D127-S129 PolarHBondContact OD1-OG 2.69Å; D127-S129 PolarHBondContact OD2-OG 3.19Å; D127-R150 VanDerWaalsContact CG-NH1 3.32Å; D127-R150 VanDerWaalsContact CG-NH2 3.3Å; D127-R150 VanDerWaalsContact O-CZ 3.27Å; D127-R150 PolarHBondContact O-NE 2.6Å; D127-R150 PolarHBondContact O-NH2 2.92Å; D127-R150 IonicContact OD1-CZ 2.77Å; D127-R150 IonicContact OD1-NH1 3.9Å; D127-R150 IonicContact OD1-NH2 3.15Å; D127-R150 PolarHBondContact OD1-NH2 3.4Å; D127-R150 IonicContact OD2-CZ 3.56Å; D127-R150 IonicContact OD2-NE 3.24Å; D127-R150 IonicContact OD2-NH1 2.83Å; D127-R150 PolarHBondContact OD2-NH1 2.81Å; D127-R150 IonicContact OD2-NH2 3.13Å
128	D	87.1	Confident	91.9	Very high	80 Å²	80	54.2 Å²	54.2	43%	0.428	32%	0.318	S	S	.	.			trans	-107.9	10.5	175.2	-87.3	-40.9	0	0	0	112.7	K151 R187	D128-K151 IonicContact OD1-NZ 3.65Å; D128-K151 PolarHBondContact OD1-NZ 2.89Å; D128-R187 IonicContact OD1-CZ 3.84Å; D128-R187 IonicContact OD1-NH1 3.12Å; D128-R187 PolarHBondContact OD1-NH1 3.28Å; D128-R187 IonicContact OD1-NH2 3.38Å; D128-R187 PolarHBondContact OD1-NH2 3.42Å; D128-R187 IonicContact OD2-CZ 3.05Å; D128-R187 IonicContact OD2-NH1 2.86Å; D128-R187 IonicContact OD2-NH2 2.84Å; D128-R187 PolarHBondContact OD2-NH2 3.21Å
129	S	91.1	Very high	91.8	Very high	61 Å²	61	58.6 Å²	58.6	43%	0.427	34%	0.341	S	S	.	.			trans	-58.4	146.5	172.5	65	0	0	0	0	112.4	D127 R150	D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.19Å; D127-S129 PolarHBondContact OD1-OG 2.69Å; D127-S129 PolarHBondContact OD2-OG 3.19Å; S129-R150 VanDerWaalsContact N-NH2 3.16Å; S129-R150 PolarHBondContact O-NH2 3.31Å; S129-R150 PolarHBondContact OG-NH1 2.7Å; S129-R150 PolarHBondContact OG-NH2 2.66Å
130	V	91.4	Very high	91.8	Very high	56 Å²	56	58.7 Å²	58.7	34%	0.339	34%	0.341	S	S	.	.			trans	-124.4	126.4	-172.3	-177.7	0	0	0	0	107.8	T132 N227 I231	V130-T132 PolarHBondContact O-N 3.2Å; V130-N227 WeakPolarHBondContact CG2-ND2 3.13Å; V130-I231 HydrophobicContact CG1-CD1 3.44Å; V130-I231 VanDerWaalsContact CG1-CD1 3.44Å; V130-I231 HydrophobicContact CG1-CG1 3.62Å
131	P	93.1	Very high	91.9	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.091	35%	0.353	C	S	.	.			trans	-58.7	133.9	-178.9	-25.1	33.2	0	0	0	112.4	E135 I136 F147 I231	P131-E135 WeakPolarHBondContact CA-OE2 3.5Å; P131-I136 HydrophobicContact CB-CD1 4.33Å; P131-I136 HydrophobicContact CB-CG1 3.97Å; P131-F147 HydrophobicContact CG-CB 3.67Å; P131-F147 HydrophobicContact CG-CD2 4.09Å; P131-F147 HydrophobicContact CG-CG 3.98Å; P131-I231 WeakPolarHBondContact O-CD1 3.42Å
132	T	93.7	Very high	92	Very high	70 Å²	70	64.7 Å²	64.7	43%	0.429	37%	0.374	S	S	.	.			trans	-79.6	159.3	173.9	66.8	0	0	0	0	111.3	V130 S134 E135 I136	V130-T132 PolarHBondContact O-N 3.2Å; T132-S134 PolarHBondContact O-N 3.47Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 WeakPolarHBondContact O-CB 3.42Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 WeakPolarHBondContact OG1-CG 3.5Å; T132-E135 PolarHBondContact OG1-N 2.71Å; T132-E135 PolarHBondContact OG1-OE2 2.94Å; T132-I136 WeakPolarHBondContact O-CG1 3.27Å; T132-I136 PolarHBondContact O-N 3.15Å
133	I	94.2	Very high	92	Very high	82 Å²	82	65.7 Å²	65.7	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-56	-36.8	176.9	-64.1	162.4	0	0	0	111.5	I136 K137 L234	I133-I136 PolarHBondContact O-N 3.39Å; I133-K137 HydrophobicContact CG2-CD 4.09Å; I133-K137 HydrophobicContact CG2-CG 4.48Å; I133-K137 WeakPolarHBondContact O-CB 3.46Å; I133-K137 WeakPolarHBondContact O-CG 3.25Å; I133-K137 PolarHBondContact O-N 2.78Å; I133-L234 HydrophobicContact CD1-CD1 4.49Å; I133-L234 HydrophobicContact CD1-CD2 4.22Å; I133-L234 HydrophobicContact CG1-CD1 3.97Å; I133-L234 HydrophobicContact CG1-CD2 4.08Å
134	S	95.1	Very high	92.5	Very high	88 Å²	88	60.7 Å²	60.7	62%	0.615	35%	0.348	S	S	*	.	H	α-helix	trans	-65.6	-40.8	177.3	-59.4	0	0	0	0	112.2	T132 K137 S138	T132-S134 PolarHBondContact O-N 3.47Å; S134-K137 PolarHBondContact O-N 2.9Å; S134-S138 WeakPolarHBondContact O-CB 3.41Å; S134-S138 PolarHBondContact O-N 2.89Å; S134-S138 PolarHBondContact O-OG 3.05Å
135	E	94.4	Very high	92.7	Very high	90 Å²	90	57.2 Å²	57.2	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-69.2	-37.2	176	-70.9	162.6	177.3	0	0	112	P131 T132 S138 N139 S143	P131-E135 WeakPolarHBondContact CA-OE2 3.5Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 WeakPolarHBondContact O-CB 3.42Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 WeakPolarHBondContact OG1-CG 3.5Å; T132-E135 PolarHBondContact OG1-N 2.71Å; T132-E135 PolarHBondContact OG1-OE2 2.94Å; E135-S138 WeakPolarHBondContact CA-OG 3.35Å; E135-S138 PolarHBondContact O-OG 3.34Å; E135-N139 CarbonylContact O-C 3.52Å; E135-N139 WeakPolarHBondContact O-CA 3.48Å; E135-N139 PolarHBondContact O-N 2.84Å; E135-S143 PolarHBondContact O-OG 2.77Å
136	I	94.3	Very high	92.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-44.2	174.5	-66.4	170.3	0	0	0	110.1	P131 T132 I133 F140 L144 I231 L234 N238	P131-I136 HydrophobicContact CB-CD1 4.33Å; P131-I136 HydrophobicContact CB-CG1 3.97Å; T132-I136 WeakPolarHBondContact O-CG1 3.27Å; T132-I136 PolarHBondContact O-N 3.15Å; I133-I136 PolarHBondContact O-N 3.39Å; I136-F140 HydrophobicContact CG2-CD2 3.86Å; I136-F140 HydrophobicContact CG2-CE2 4.24Å; I136-F140 WeakPolarHBondContact O-CA 3.49Å; I136-F140 VanDerWaalsContact O-CB 3.27Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.45Å; I136-L144 HydrophobicContact CD1-CD2 4.09Å; I136-L144 HydrophobicContact CG1-CD2 3.92Å; I136-L144 HydrophobicContact CG1-CG 4.23Å; I136-L144 HydrophobicContact CG2-CD1 4.14Å; I136-I231 HydrophobicContact CD1-CD1 4.41Å; I136-L234 HydrophobicContact CD1-CB 4.2Å; I136-N238 HydrophobicContact CG2-CB 4.04Å
137	K	92.4	Very high	93.2	Very high	141 Å²	141	59.3 Å²	59.3	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-70.8	-36.1	-179.8	-74.2	178.7	177.7	-178.6	0	113.6	I133 S134 N238	I133-K137 HydrophobicContact CG2-CD 4.09Å; I133-K137 HydrophobicContact CG2-CG 4.48Å; I133-K137 WeakPolarHBondContact O-CB 3.46Å; I133-K137 WeakPolarHBondContact O-CG 3.25Å; I133-K137 PolarHBondContact O-N 2.78Å; S134-K137 PolarHBondContact O-N 2.9Å; K137-N238 WeakPolarHBondContact CE-OD1 3.39Å
138	S	94.1	Very high	93.6	Very high	78 Å²	78	55.7 Å²	55.7	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-84.5	-39.4	-177.1	52.4	0	0	0	0	113.4	S134 E135	S134-S138 WeakPolarHBondContact O-CB 3.41Å; S134-S138 PolarHBondContact O-N 2.89Å; S134-S138 PolarHBondContact O-OG 3.05Å; E135-S138 WeakPolarHBondContact CA-OG 3.35Å; E135-S138 PolarHBondContact O-OG 3.34Å
139	N	93.3	Very high	93.8	Very high	96 Å²	96	59 Å²	59	51%	0.513	33%	0.325	S	S	.	.	S	Bend	trans	-133.6	45.9	-172	-66.9	-61.9	0	0	0	111.8	E135 F141 T142 S143	E135-N139 CarbonylContact O-C 3.52Å; E135-N139 WeakPolarHBondContact O-CA 3.48Å; E135-N139 PolarHBondContact O-N 2.84Å; N139-F141 PolarHBondContact O-N 2.84Å; N139-F141 VanDerWaalsContact O-N 3.16Å; N139-T142 PolarHBondContact O-N 3.12Å; N139-S143 PolarHBondContact O-N 2.86Å; N139-S143 PolarHBondContact O-OG 2.62Å
140	F	96.1	Very high	93.9	Very high	12 Å²	12	58.9 Å²	58.9	5%	0.053	32%	0.315	C	S	.	.	H	α-helix	trans	-39.4	-58.2	-171.2	-176	-94.2	0	0	0	114.5	I136 L144 L163 A235 D239 P240	I136-F140 HydrophobicContact CG2-CD2 3.86Å; I136-F140 HydrophobicContact CG2-CE2 4.24Å; I136-F140 WeakPolarHBondContact O-CA 3.49Å; I136-F140 VanDerWaalsContact O-CB 3.27Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.45Å; F140-L144 HydrophobicContact CD1-CD1 4.41Å; F140-L144 HydrophobicContact CD2-CD1 3.63Å; F140-L144 HydrophobicContact CE1-CD1 4.13Å; F140-L144 HydrophobicContact CE2-CD1 3.29Å; F140-L144 HydrophobicContact CG-CD1 4.17Å; F140-L144 HydrophobicContact CZ-CD1 3.56Å; F140-L144 VanDerWaalsContact O-CB 3.23Å; F140-L144 WeakPolarHBondContact O-CB 3.4Å; F140-L144 WeakPolarHBondContact O-CG 3.34Å; F140-L144 PolarHBondContact O-N 3.08Å; F140-L144 VanDerWaalsContact O-N 3.16Å; F140-L163 HydrophobicContact CE1-CD1 4.17Å; F140-L163 HydrophobicContact CE1-CD2 4.17Å; F140-L163 HydrophobicContact CE1-CG 4.48Å; F140-L163 HydrophobicContact CZ-CD1 4.47Å; F140-A235 HydrophobicContact CE2-CB 4.5Å; F140-D239 HydrophobicContact CE1-CB 4.25Å; F140-D239 WeakPolarHBondContact CE1-OD2 3.08Å; F140-D239 VanDerWaalsContact CE2-CA 3.49Å; F140-D239 HydrophobicContact CE2-CB 3.98Å; F140-D239 VanDerWaalsContact CZ-CA 3.48Å; F140-D239 HydrophobicContact CZ-CB 3.5Å; F140-D239 VanDerWaalsContact CZ-CG 3.48Å; F140-D239 WeakPolarHBondContact CZ-OD2 3.49Å; F140-P240 HydrophobicContact CD1-CG 4.48Å; F140-P240 HydrophobicContact CG-CG 4.43Å
141	F	95.9	Very high	93.9	Very high	58 Å²	58	56.8 Å²	56.8	25%	0.254	30%	0.301	S	S	.	.	H	α-helix	trans	-70.8	-35.6	-174.9	-63.9	-74.2	0	0	0	113.3	N139 G145 L163 N166	N139-F141 PolarHBondContact O-N 2.84Å; N139-F141 VanDerWaalsContact O-N 3.16Å; F141-G145 WeakPolarHBondContact O-CA 3.5Å; F141-G145 PolarHBondContact O-N 3Å; F141-L163 HydrophobicContact CD1-CD2 4.17Å; F141-L163 HydrophobicContact CD1-CG 4.31Å; F141-N166 HydrophobicContact CE2-CB 4.06Å; F141-N166 HydrophobicContact CZ-CB 4.07Å
142	T	94.2	Very high	93.9	Very high	92 Å²	92	57 Å²	57	56%	0.564	30%	0.304	S	S	*	.	H	α-helix	trans	-76.3	-48.4	-177.8	-51.6	0	0	0	0	111.2	N139 N146	N139-T142 PolarHBondContact O-N 3.12Å; T142-N146 WeakPolarHBondContact O-CB 3.23Å; T142-N146 VanDerWaalsContact O-CG 3.29Å; T142-N146 PolarHBondContact O-N 3.16Å; T142-N146 PolarHBondContact O-OD1 2.81Å
143	S	92.4	Very high	93.7	Very high	21 Å²	21	56.5 Å²	56.5	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-49.5	-177.8	60.4	0	0	0	0	111.3	E135 N139 F147	E135-S143 PolarHBondContact O-OG 2.77Å; N139-S143 PolarHBondContact O-N 2.86Å; N139-S143 PolarHBondContact O-OG 2.62Å; S143-F147 PolarHBondContact O-N 3.36Å; S143-F147 VanDerWaalsContact O-N 3.13Å
144	L	95.9	Very high	93.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72	-37.4	177.2	-66.2	175	0	0	0	112.1	I136 F140 N146 F147 F148 L163 I231 A235	I136-L144 HydrophobicContact CD1-CD2 4.09Å; I136-L144 HydrophobicContact CG1-CD2 3.92Å; I136-L144 HydrophobicContact CG1-CG 4.23Å; I136-L144 HydrophobicContact CG2-CD1 4.14Å; F140-L144 HydrophobicContact CD1-CD1 4.41Å; F140-L144 HydrophobicContact CD2-CD1 3.63Å; F140-L144 HydrophobicContact CE1-CD1 4.13Å; F140-L144 HydrophobicContact CE2-CD1 3.29Å; F140-L144 HydrophobicContact CG-CD1 4.17Å; F140-L144 HydrophobicContact CZ-CD1 3.56Å; F140-L144 VanDerWaalsContact O-CB 3.23Å; F140-L144 WeakPolarHBondContact O-CB 3.4Å; F140-L144 WeakPolarHBondContact O-CG 3.34Å; F140-L144 PolarHBondContact O-N 3.08Å; F140-L144 VanDerWaalsContact O-N 3.16Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.99Å; L144-F147 PolarHBondContact O-N 3.47Å; L144-F148 HydrophobicContact CB-CD2 4.01Å; L144-F148 HydrophobicContact CB-CE2 3.96Å; L144-F148 HydrophobicContact CD2-CE2 4.07Å; L144-F148 HydrophobicContact CG-CE2 4.46Å; L144-F148 WeakPolarHBondContact O-CB 3.13Å; L144-F148 WeakPolarHBondContact O-CD2 3.3Å; L144-F148 PolarHBondContact O-N 2.99Å; L144-L163 HydrophobicContact CB-CD2 3.66Å; L144-I231 HydrophobicContact CD2-CG2 3.63Å; L144-A235 HydrophobicContact CD1-CB 3.51Å; L144-A235 HydrophobicContact CD2-CB 4.15Å; L144-A235 HydrophobicContact CG-CB 4.49Å
145	G	93.7	Very high	93.6	Very high	23 Å²	23	49 Å²	49	24%	0.237	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-48.1	175.8	0	0	0	0	0	111.6	F141 Y149	F141-G145 WeakPolarHBondContact O-CA 3.5Å; F141-G145 PolarHBondContact O-N 3Å; G145-Y149 WeakPolarHBondContact O-CB 3.15Å; G145-Y149 PolarHBondContact O-N 2.97Å
146	N	91.9	Very high	93.5	Very high	98 Å²	98	50.2 Å²	50.2	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.1	-73.5	5.5	0	0	0	112.2	T142 L144 R150	T142-N146 WeakPolarHBondContact O-CB 3.23Å; T142-N146 VanDerWaalsContact O-CG 3.29Å; T142-N146 PolarHBondContact O-N 3.16Å; T142-N146 PolarHBondContact O-OD1 2.81Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.99Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 WeakPolarHBondContact O-CD 3.43Å; N146-R150 WeakPolarHBondContact O-CG 3.3Å; N146-R150 PolarHBondContact O-N 3.24Å
147	F	95.4	Very high	93.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-51.8	178.2	174.2	-98.4	0	0	0	112.3	P131 S143 L144 Y149 R150 K151 V228 I231	P131-F147 HydrophobicContact CG-CB 3.67Å; P131-F147 HydrophobicContact CG-CD2 4.09Å; P131-F147 HydrophobicContact CG-CG 3.98Å; S143-F147 PolarHBondContact O-N 3.36Å; S143-F147 VanDerWaalsContact O-N 3.13Å; L144-F147 PolarHBondContact O-N 3.47Å; F147-Y149 VanDerWaalsContact C-N 3.34Å; F147-Y149 PolarHBondContact O-N 3.15Å; F147-R150 PolarHBondContact O-N 3.19Å; F147-K151 HydrophobicContact CE1-CG 4.33Å; F147-K151 HydrophobicContact CE2-CG 4.27Å; F147-K151 HydrophobicContact CZ-CG 4.13Å; F147-K151 WeakPolarHBondContact O-CG 3.26Å; F147-K151 PolarHBondContact O-N 2.82Å; F147-V228 HydrophobicContact CE1-CG2 4.46Å; F147-V228 HydrophobicContact CZ-CG2 4.06Å; F147-I231 HydrophobicContact CD1-CG2 3.74Å; F147-I231 HydrophobicContact CE1-CB 3.81Å; F147-I231 HydrophobicContact CE1-CG1 4.24Å; F147-I231 HydrophobicContact CE1-CG2 3.51Å; F147-I231 HydrophobicContact CE2-CG1 4.4Å; F147-I231 HydrophobicContact CG-CG2 4.48Å; F147-I231 HydrophobicContact CZ-CB 3.97Å; F147-I231 HydrophobicContact CZ-CG1 3.92Å; F147-I231 HydrophobicContact CZ-CG2 4.07Å
148	F	95.8	Very high	93.3	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-33.7	-179.7	-71.5	-63.4	0	0	0	112.2	L144 K151 S152 F176 W180 I231 V232	L144-F148 HydrophobicContact CB-CD2 4.01Å; L144-F148 HydrophobicContact CB-CE2 3.96Å; L144-F148 HydrophobicContact CD2-CE2 4.07Å; L144-F148 HydrophobicContact CG-CE2 4.46Å; L144-F148 WeakPolarHBondContact O-CB 3.13Å; L144-F148 WeakPolarHBondContact O-CD2 3.3Å; L144-F148 PolarHBondContact O-N 2.99Å; F148-K151 PolarHBondContact O-N 3.24Å; F148-S152 WeakPolarHBondContact O-CB 3.04Å; F148-S152 PolarHBondContact O-N 3.16Å; F148-F176 HydrophobicContact CD1-CZ 4.16Å; F148-F176 HydrophobicContact CD2-CE1 4.42Å; F148-F176 HydrophobicContact CD2-CE2 4.37Å; F148-F176 AromaticContact CD2-CZ 3.53Å; F148-F176 HydrophobicContact CD2-CZ 3.53Å; F148-F176 HydrophobicContact CE1-CZ 4.23Å; F148-F176 HydrophobicContact CE2-CE1 4.08Å; F148-F176 AromaticContact CE2-CZ 3.61Å; F148-F176 HydrophobicContact CE2-CZ 3.61Å; F148-F176 HydrophobicContact CG-CE2 4.36Å; F148-F176 AromaticContact CG-CZ 3.82Å; F148-F176 HydrophobicContact CG-CZ 3.82Å; F148-F176 HydrophobicContact CZ-CE1 4.27Å; F148-F176 AromaticContact CZ-CZ 3.97Å; F148-F176 HydrophobicContact CZ-CZ 3.97Å; F148-W180 HydrophobicContact CB-CH2 4.25Å; F148-W180 HydrophobicContact CB-CZ2 3.8Å; F148-W180 AromaticContact CD1-CD2 3.45Å; F148-W180 HydrophobicContact CD1-CD2 3.45Å; F148-W180 VanDerWaalsContact CD1-CD2 3.45Å; F148-W180 AromaticContact CD1-CE2 3.47Å; F148-W180 VanDerWaalsContact CD1-CE2 3.47Å; F148-W180 AromaticContact CD1-CE3 3.65Å; F148-W180 HydrophobicContact CD1-CE3 3.65Å; F148-W180 AromaticContact CD1-CG 3.97Å; F148-W180 HydrophobicContact CD1-CG 3.97Å; F148-W180 AromaticContact CD1-CH2 3.91Å; F148-W180 HydrophobicContact CD1-CH2 3.91Å; F148-W180 AromaticContact CD1-CZ2 3.73Å; F148-W180 HydrophobicContact CD1-CZ2 3.73Å; F148-W180 AromaticContact CD1-CZ3 3.87Å; F148-W180 HydrophobicContact CD1-CZ3 3.87Å; F148-W180 AromaticContact CD1-NE1 3.97Å; F148-W180 HydrophobicContact CE1-CB 4.23Å; F148-W180 AromaticContact CE1-CD2 3.71Å; F148-W180 HydrophobicContact CE1-CD2 3.71Å; F148-W180 AromaticContact CE1-CE3 3.92Å; F148-W180 HydrophobicContact CE1-CE3 3.92Å; F148-W180 AromaticContact CE1-CG 3.84Å; F148-W180 HydrophobicContact CE1-CG 3.84Å; F148-W180 HydrophobicContact CE1-CZ3 4.5Å; F148-W180 HydrophobicContact CG-CD2 4.47Å; F148-W180 HydrophobicContact CG-CZ2 4.18Å; F148-W180 WeakPolarHBondContact O-CH2 3.2Å; F148-I231 HydrophobicContact CZ-CG2 4.42Å; F148-V232 HydrophobicContact CE1-CG2 3.79Å; F148-V232 HydrophobicContact CZ-CG2 3.92Å
149	Y	92.4	Very high	93.2	Very high	149 Å²	149	52 Å²	52	58%	0.584	26%	0.261	S	S	*	.	H	α-helix	trans	-63.8	-41.1	171.8	179.2	-100.9	0	0	0	112.4	G145 F147 S152	G145-Y149 WeakPolarHBondContact O-CB 3.15Å; G145-Y149 PolarHBondContact O-N 2.97Å; F147-Y149 VanDerWaalsContact C-N 3.34Å; F147-Y149 PolarHBondContact O-N 3.15Å; Y149-S152 PolarHBondContact O-N 2.83Å; Y149-S152 PolarHBondContact O-OG 2.82Å
150	R	91.7	Very high	93	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-39.6	175	-76.4	163.4	50.1	-154.1	-17.4	111.9	D127 S129 N146 F147	D127-R150 VanDerWaalsContact CG-NH1 3.32Å; D127-R150 VanDerWaalsContact CG-NH2 3.3Å; D127-R150 VanDerWaalsContact O-CZ 3.27Å; D127-R150 PolarHBondContact O-NE 2.6Å; D127-R150 PolarHBondContact O-NH2 2.92Å; D127-R150 IonicContact OD1-CZ 2.77Å; D127-R150 IonicContact OD1-NH1 3.9Å; D127-R150 IonicContact OD1-NH2 3.15Å; D127-R150 PolarHBondContact OD1-NH2 3.4Å; D127-R150 IonicContact OD2-CZ 3.56Å; D127-R150 IonicContact OD2-NE 3.24Å; D127-R150 IonicContact OD2-NH1 2.83Å; D127-R150 PolarHBondContact OD2-NH1 2.81Å; D127-R150 IonicContact OD2-NH2 3.13Å; S129-R150 VanDerWaalsContact N-NH2 3.16Å; S129-R150 PolarHBondContact O-NH2 3.31Å; S129-R150 PolarHBondContact OG-NH1 2.7Å; S129-R150 PolarHBondContact OG-NH2 2.66Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 WeakPolarHBondContact O-CD 3.43Å; N146-R150 WeakPolarHBondContact O-CG 3.3Å; N146-R150 PolarHBondContact O-N 3.24Å; F147-R150 PolarHBondContact O-N 3.19Å
151	K	92.9	Very high	92.9	Very high	11 Å²	11	49.3 Å²	49.3	5%	0.048	25%	0.249	C	C	.	.	H	α-helix	trans	-77.5	-24.9	179.1	-65.3	-58.7	-176.7	-169.8	0	113.5	D128 F147 F148 R153 W154 S155 W180 Y183 E224 V228	D128-K151 IonicContact OD1-NZ 3.65Å; D128-K151 PolarHBondContact OD1-NZ 2.89Å; F147-K151 HydrophobicContact CE1-CG 4.33Å; F147-K151 HydrophobicContact CE2-CG 4.27Å; F147-K151 HydrophobicContact CZ-CG 4.13Å; F147-K151 WeakPolarHBondContact O-CG 3.26Å; F147-K151 PolarHBondContact O-N 2.82Å; F148-K151 PolarHBondContact O-N 3.24Å; K151-R153 PolarHBondContact O-N 3.47Å; K151-W154 PolarHBondContact O-N 2.76Å; K151-S155 PolarHBondContact O-N 2.81Å; K151-W180 HydrophobicContact CB-CH2 3.91Å; K151-W180 HydrophobicContact CB-CZ3 3.82Å; K151-Y183 HydrophobicContact CB-CE2 4.45Å; K151-Y183 PolarHBondContact O-OH 2.69Å; K151-E224 IonicContact NZ-OE2 3.17Å; K151-E224 PolarHBondContact NZ-OE2 3.17Å; K151-V228 HydrophobicContact CD-CG2 4.16Å; K151-V228 HydrophobicContact CG-CG2 4.02Å
152	S	92.5	Very high	92.7	Very high	20 Å²	20	54.2 Å²	54.2	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-31.5	179.7	67.9	0	0	0	0	112.3	F148 Y149 W154 S155 Q158 T160	F148-S152 WeakPolarHBondContact O-CB 3.04Å; F148-S152 PolarHBondContact O-N 3.16Å; Y149-S152 PolarHBondContact O-N 2.83Å; Y149-S152 PolarHBondContact O-OG 2.82Å; S152-W154 PolarHBondContact O-N 3.13Å; S152-S155 WeakPolarHBondContact O-CB 3.15Å; S152-S155 PolarHBondContact O-N 2.64Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-Q158 PolarHBondContact O-NE2 3.46Å; S152-T160 WeakPolarHBondContact CB-OG1 3.16Å
153	R	90.2	Very high	92.7	Very high	58 Å²	58	50.3 Å²	50.3	22%	0.219	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.5	172.5	177.5	176.3	167.7	176.8	-3.9	112.9	F61 K151	F61-R153 VanDerWaalsContact CD1-NH1 3.3Å; K151-R153 PolarHBondContact O-N 3.47Å
154	W	92.9	Very high	92.7	Very high	7 Å²	7	51 Å²	51	3%	0.027	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4	-175.6	-53.7	115.3	0	0	0	113	L116 D119 S120 V126 K151 S152 K156 T185 C186 R187	L116-W154 HydrophobicContact CD1-CZ3 4.03Å; D119-W154 HydrophobicContact CB-CH2 4.32Å; D119-W154 VanDerWaalsContact O-CH2 3.3Å; D119-W154 WeakPolarHBondContact O-CH2 3.3Å; D119-W154 WeakPolarHBondContact O-CZ2 3.38Å; S120-W154 VanDerWaalsContact CA-CH2 3.43Å; V126-W154 HydrophobicContact CG2-CZ2 4.25Å; K151-W154 PolarHBondContact O-N 2.76Å; S152-W154 PolarHBondContact O-N 3.13Å; W154-K156 PolarHBondContact O-N 3.43Å; W154-T185 CarbonylContact O-C 3.51Å; W154-T185 VanDerWaalsContact O-CA 3.29Å; W154-T185 WeakPolarHBondContact O-CA 3.21Å; W154-C186 PolarHBondContact O-N 3.14Å; W154-C186 PolarHBondContact O-SG 3.19Å; W154-R187 HydrophobicContact CB-CB 4.16Å; W154-R187 HydrophobicContact CD2-CB 4.21Å; W154-R187 HydrophobicContact CD2-CG 4.04Å; W154-R187 HydrophobicContact CE3-CB 4.21Å; W154-R187 HydrophobicContact CE3-CG 4.18Å; W154-R187 HydrophobicContact CG-CB 4.19Å; W154-R187 HydrophobicContact CG-CG 4.29Å
155	S	92.9	Very high	92.6	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.042	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-71.7	130.3	176.2	177.7	0	0	0	0	110.8	K151 S152 K157 Q158 F179	K151-S155 PolarHBondContact O-N 2.81Å; S152-S155 WeakPolarHBondContact O-CB 3.15Å; S152-S155 PolarHBondContact O-N 2.64Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S155-K157 PolarHBondContact OG-N 2.96Å; S155-K157 PolarHBondContact OG-O 3.39Å; S155-Q158 PolarHBondContact O-NE2 3.42Å; S155-F179 WeakPolarHBondContact OG-CZ 3.31Å
156	K	92.4	Very high	92.6	Very high	116 Å²	116	59 Å²	59	50%	0.504	30%	0.296	S	S	.	.	S	Bend	trans	-66.2	-37.1	169.8	-76	-177.9	-173.1	147.9	0	112.7	W154 D184 T185 C186	W154-K156 PolarHBondContact O-N 3.43Å; K156-D184 HydrophobicContact CD-CB 4.3Å; K156-D184 VanDerWaalsContact CD-OD2 3.3Å; K156-D184 WeakPolarHBondContact CD-OD2 3.37Å; K156-D184 PolarHBondContact N-O 3.48Å; K156-D184 IonicContact NZ-OD1 3.12Å; K156-D184 PolarHBondContact NZ-OD1 2.82Å; K156-D184 IonicContact NZ-OD2 2.82Å; K156-D184 PolarHBondContact NZ-OD2 3.49Å; K156-T185 WeakPolarHBondContact CE-O 3.41Å; K156-T185 PolarHBondContact NZ-O 2.92Å; K156-C186 HydrophobicContact CG-CB 3.7Å
157	K	92.8	Very high	92.6	Very high	94 Å²	94	61.6 Å²	61.6	41%	0.409	31%	0.309	S	S	.	.	S	Bend	trans	-87.9	128.7	179.4	-64.9	178.4	-178.1	170.7	0	108.7	S155 F179 E182	S155-K157 PolarHBondContact OG-N 2.96Å; S155-K157 PolarHBondContact OG-O 3.39Å; K157-F179 HydrophobicContact CB-CE2 3.6Å; K157-F179 HydrophobicContact CB-CZ 3.95Å; K157-F179 WeakPolarHBondContact O-CZ 3.47Å; K157-E182 IonicContact NZ-OE2 2.78Å; K157-E182 PolarHBondContact NZ-OE2 3.27Å
158	Q	89.3	Confident	92.6	Very high	62 Å²	62	62.9 Å²	62.9	29%	0.29	32%	0.317	S	S	.	.	S	Bend	trans	-137.8	148.7	-177.9	-65.1	-73.4	-11.6	0	0	109.4	H9 S152 S155	H9-Q158 WeakPolarHBondContact NE2-CG 3.34Å; S152-Q158 PolarHBondContact O-NE2 3.46Å; S155-Q158 PolarHBondContact O-NE2 3.42Å
159	P	92	Very high	92.6	Very high	102 Å²	102	66.7 Å²	66.7	66%	0.662	34%	0.338	S	S	*	.	S	Bend	cis	-74	148	-3.9	31.6	-35.1	0	0	0	112.2
160	T	90.9	Very high	92.7	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.092	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-76.7	133	174.1	62.1	0	0	0	0	111.2	S152 F179 W180	S152-T160 WeakPolarHBondContact CB-OG1 3.16Å; T160-F179 HydrophobicContact CG2-CE1 3.86Å; T160-F179 HydrophobicContact CG2-CZ 3.67Å; T160-W180 HydrophobicContact CG2-CZ2 4.49Å
161	P	93.6	Very high	92.9	Very high	36 Å²	36	65.2 Å²	65.2	23%	0.234	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-66	143.2	174.8	27.9	-32.5	0	0	0	111	F176 F179	P161-F176 HydrophobicContact CB-CB 4.27Å; P161-F176 HydrophobicContact CB-CD2 4.17Å; P161-F176 HydrophobicContact CG-CB 4.45Å; P161-F176 HydrophobicContact CG-CD2 4.18Å; P161-F176 VanDerWaalsContact O-CD2 3.31Å; P161-F176 WeakPolarHBondContact O-CD2 3.42Å; P161-F176 WeakPolarHBondContact O-CE2 3.39Å; P161-F179 HydrophobicContact CG-CB 3.51Å; P161-F179 HydrophobicContact CG-CD1 3.76Å; P161-F179 HydrophobicContact CG-CD2 4.16Å; P161-F179 HydrophobicContact CG-CG 3.54Å
162	H	91.2	Very high	93	Very high	160 Å²	160	70.2 Å²	70.2	74%	0.741	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-84.3	147	176.5	-59.1	91.8	0	0	0	110.2	G164 F176	H162-G164 PolarHBondContact O-N 3.11Å; H162-G164 VanDerWaalsContact O-N 3.14Å; H162-F176 WeakPolarHBondContact O-CD2 3.44Å
163	L	93.8	Very high	93.2	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.058	36%	0.358	C	S	.	.			trans	-59.6	-26	176.9	-179	63.9	0	0	0	112.4	F140 F141 L144 F176 R241	F140-L163 HydrophobicContact CE1-CD1 4.17Å; F140-L163 HydrophobicContact CE1-CD2 4.17Å; F140-L163 HydrophobicContact CE1-CG 4.48Å; F140-L163 HydrophobicContact CZ-CD1 4.47Å; F141-L163 HydrophobicContact CD1-CD2 4.17Å; F141-L163 HydrophobicContact CD1-CG 4.31Å; L144-L163 HydrophobicContact CB-CD2 3.66Å; L163-F176 HydrophobicContact CB-CD2 4.48Å; L163-F176 HydrophobicContact CB-CE2 3.9Å; L163-F176 HydrophobicContact CB-CZ 3.99Å; L163-F176 HydrophobicContact CD1-CD1 4.03Å; L163-F176 HydrophobicContact CD1-CE1 3.51Å; L163-F176 HydrophobicContact CD1-CE2 4.33Å; L163-F176 HydrophobicContact CD1-CZ 3.68Å; L163-F176 HydrophobicContact CG-CZ 4.43Å; L163-R241 PolarHBondContact O-NH1 3.37Å; L163-R241 PolarHBondContact O-NH2 2.79Å
164	G	93.5	Very high	93.5	Very high	36 Å²	36	70.5 Å²	70.5	37%	0.371	37%	0.368	S	S	.	.			trans	75.6	-155.8	-177.1	0	0	0	0	0	112.3	H162 T168	H162-G164 PolarHBondContact O-N 3.11Å; H162-G164 VanDerWaalsContact O-N 3.14Å; G164-T168 WeakPolarHBondContact CA-OG1 3.36Å
165	N	93.6	Very high	93.7	Very high	89 Å²	89	75.5 Å²	75.5	48%	0.476	39%	0.39	S	S	.	.			trans	-130.1	-174.4	179.2	63.7	38.7	0	0	0	110	L167 T168 R241	N165-L167 PolarHBondContact O-N 3.37Å; N165-L167 VanDerWaalsContact O-N 3.1Å; N165-L167 WeakPolarHBondContact OD1-CA 3.43Å; N165-L167 WeakPolarHBondContact OD1-CB 3.38Å; N165-L167 PolarHBondContact OD1-N 2.77Å; N165-T168 PolarHBondContact N-OG1 2.74Å; N165-T168 WeakPolarHBondContact O-CB 3.29Å; N165-T168 PolarHBondContact O-N 2.72Å; N165-T168 PolarHBondContact O-OG1 2.83Å; N165-T168 PolarHBondContact OD1-N 2.75Å; N165-R241 WeakPolarHBondContact O-CD 3.3Å; N165-R241 PolarHBondContact O-NH1 2.77Å
166	N	92.3	Very high	93.9	Very high	100 Å²	100	75.2 Å²	75.2	54%	0.535	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.6	-178.5	-170.8	61.7	0	0	0	114.6	F141	F141-N166 HydrophobicContact CE2-CB 4.06Å; F141-N166 HydrophobicContact CZ-CB 4.07Å
167	L	93.2	Very high	94.2	Very high	154 Å²	154	69.7 Å²	69.7	81%	0.806	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-2.6	-179.1	-55.5	179.3	0	0	0	113.1	N165	N165-L167 PolarHBondContact O-N 3.37Å; N165-L167 VanDerWaalsContact O-N 3.1Å; N165-L167 WeakPolarHBondContact OD1-CA 3.43Å; N165-L167 WeakPolarHBondContact OD1-CB 3.38Å; N165-L167 PolarHBondContact OD1-N 2.77Å
168	T	95	Very high	94.4	Very high	28 Å²	28	69.4 Å²	69.4	17%	0.172	37%	0.367	C	S	.	.	S	Bend	trans	-61.8	136.5	177.3	-59.2	0	0	0	0	110.6	G164 N165 E172 V173	G164-T168 WeakPolarHBondContact CA-OG1 3.36Å; N165-T168 PolarHBondContact N-OG1 2.74Å; N165-T168 WeakPolarHBondContact O-CB 3.29Å; N165-T168 PolarHBondContact O-N 2.72Å; N165-T168 PolarHBondContact O-OG1 2.83Å; N165-T168 PolarHBondContact OD1-N 2.75Å; T168-E172 HydrophobicContact CG2-CB 3.75Å; T168-V173 HydrophobicContact CG2-CG2 3.94Å
169	D	95.8	Very high	94.8	Very high	87 Å²	87	68.1 Å²	68.1	47%	0.465	36%	0.36	S	S	.	.			trans	-63	143.3	-178.8	-175.8	70.7	0	0	0	111.3	E171 E172 V173	D169-E171 PolarHBondContact O-N 3.09Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD2-CB 3.41Å; D169-E171 PolarHBondContact OD2-N 3.47Å; D169-E172 HydrophobicContact CB-CG 4.49Å; D169-E172 PolarHBondContact O-N 3.5Å; D169-V173 WeakPolarHBondContact O-CG2 3.33Å; D169-V173 PolarHBondContact O-N 3.26Å
170	I	94	Very high	95	Very high	67 Å²	67	63.3 Å²	63.3	34%	0.344	33%	0.329	S	S	.	.	H	α-helix	trans	-60.1	-30.5	-175.7	-166.1	63.2	0	0	0	112	V173 L174 I242 A245	I170-V173 HydrophobicContact CD1-CB 4.42Å; I170-V173 PolarHBondContact O-N 2.85Å; I170-L174 VanDerWaalsContact O-CG 3.27Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3Å; I170-I242 HydrophobicContact CD1-CG1 4.09Å; I170-A245 HydrophobicContact CD1-CB 4.24Å; I170-A245 HydrophobicContact CG1-CB 4.42Å
171	E	95.6	Very high	95.3	Very high	110 Å²	110	65.9 Å²	65.9	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.5	-164.3	-169.8	145.5	0	0	111.5	D169 V173 L174 K175	D169-E171 PolarHBondContact O-N 3.09Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD2-CB 3.41Å; D169-E171 PolarHBondContact OD2-N 3.47Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-L174 PolarHBondContact O-N 3.17Å; E171-K175 WeakPolarHBondContact O-CG 3.29Å; E171-K175 PolarHBondContact O-N 2.9Å; E171-K175 VanDerWaalsContact OE1-CE 3.24Å; E171-K175 WeakPolarHBondContact OE1-CE 3.14Å; E171-K175 IonicContact OE1-NZ 3.7Å; E171-K175 PolarHBondContact OE1-NZ 3.47Å
172	E	95.7	Very high	95.4	Very high	117 Å²	117	70.1 Å²	70.1	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-37.1	175.3	-63.8	-171.7	130.4	0	0	111.6	T168 D169 L174 K175 F176	T168-E172 HydrophobicContact CG2-CB 3.75Å; D169-E172 HydrophobicContact CB-CG 4.49Å; D169-E172 PolarHBondContact O-N 3.5Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-K175 PolarHBondContact O-N 3.34Å; E172-F176 WeakPolarHBondContact O-CB 3.42Å; E172-F176 PolarHBondContact O-N 2.85Å
173	V	97.3	Very high	95.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-42.8	173.6	178.5	0	0	0	0	111.2	T168 D169 I170 E171 F176 Y177 I242	T168-V173 HydrophobicContact CG2-CG2 3.94Å; D169-V173 WeakPolarHBondContact O-CG2 3.33Å; D169-V173 PolarHBondContact O-N 3.26Å; I170-V173 HydrophobicContact CD1-CB 4.42Å; I170-V173 PolarHBondContact O-N 2.85Å; E171-V173 VanDerWaalsContact C-N 3.34Å; V173-F176 WeakPolarHBondContact O-CB 3.02Å; V173-F176 PolarHBondContact O-N 3.29Å; V173-Y177 HydrophobicContact CG1-CD2 3.85Å; V173-Y177 HydrophobicContact CG1-CE2 3.65Å; V173-Y177 WeakPolarHBondContact O-CD2 3.18Å; V173-Y177 PolarHBondContact O-N 2.96Å; V173-Y177 VanDerWaalsContact O-N 3.14Å; V173-I242 HydrophobicContact CG1-CD1 4.29Å; V173-I242 HydrophobicContact CG1-CG1 4.22Å
174	L	95.6	Very high	95.6	Very high	82 Å²	82	65.5 Å²	65.5	43%	0.429	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-43.8	176.5	-68.6	173.8	0	0	0	111.5	I170 E171 E172 F176 Y177 D178	I170-L174 VanDerWaalsContact O-CG 3.27Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3Å; E171-L174 PolarHBondContact O-N 3.17Å; E172-L174 VanDerWaalsContact C-N 3.34Å; L174-F176 VanDerWaalsContact C-N 3.31Å; L174-F176 PolarHBondContact O-N 3.33Å; L174-Y177 WeakPolarHBondContact O-CB 3.42Å; L174-Y177 PolarHBondContact O-N 3.47Å; L174-Y177 VanDerWaalsContact O-N 3.07Å; L174-D178 PolarHBondContact O-N 3.32Å
175	K	96.6	Very high	95.6	Very high	112 Å²	112	64 Å²	64	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-40.5	174.5	-72.6	169.8	-174	163.3	0	112.8	E171 E172 Y177 F179	E171-K175 WeakPolarHBondContact O-CG 3.29Å; E171-K175 PolarHBondContact O-N 2.9Å; E171-K175 VanDerWaalsContact OE1-CE 3.24Å; E171-K175 WeakPolarHBondContact OE1-CE 3.14Å; E171-K175 IonicContact OE1-NZ 3.7Å; E171-K175 PolarHBondContact OE1-NZ 3.47Å; E172-K175 PolarHBondContact O-N 3.34Å; K175-Y177 VanDerWaalsContact C-N 3.29Å; K175-Y177 PolarHBondContact O-N 2.6Å; K175-F179 PolarHBondContact O-N 3.4Å; K175-F179 VanDerWaalsContact O-N 3.16Å
176	F	97.8	Very high	95.5	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-55	-50.7	173.4	165.5	-91	0	0	0	110.3	F148 P161 H162 L163 E172 V173 L174 F179 W180	F148-F176 HydrophobicContact CD1-CZ 4.16Å; F148-F176 HydrophobicContact CD2-CE1 4.42Å; F148-F176 HydrophobicContact CD2-CE2 4.37Å; F148-F176 AromaticContact CD2-CZ 3.53Å; F148-F176 HydrophobicContact CD2-CZ 3.53Å; F148-F176 HydrophobicContact CE1-CZ 4.23Å; F148-F176 HydrophobicContact CE2-CE1 4.08Å; F148-F176 AromaticContact CE2-CZ 3.61Å; F148-F176 HydrophobicContact CE2-CZ 3.61Å; F148-F176 HydrophobicContact CG-CE2 4.36Å; F148-F176 AromaticContact CG-CZ 3.82Å; F148-F176 HydrophobicContact CG-CZ 3.82Å; F148-F176 HydrophobicContact CZ-CE1 4.27Å; F148-F176 AromaticContact CZ-CZ 3.97Å; F148-F176 HydrophobicContact CZ-CZ 3.97Å; P161-F176 HydrophobicContact CB-CB 4.27Å; P161-F176 HydrophobicContact CB-CD2 4.17Å; P161-F176 HydrophobicContact CG-CB 4.45Å; P161-F176 HydrophobicContact CG-CD2 4.18Å; P161-F176 VanDerWaalsContact O-CD2 3.31Å; P161-F176 WeakPolarHBondContact O-CD2 3.42Å; P161-F176 WeakPolarHBondContact O-CE2 3.39Å; H162-F176 WeakPolarHBondContact O-CD2 3.44Å; L163-F176 HydrophobicContact CB-CD2 4.48Å; L163-F176 HydrophobicContact CB-CE2 3.9Å; L163-F176 HydrophobicContact CB-CZ 3.99Å; L163-F176 HydrophobicContact CD1-CD1 4.03Å; L163-F176 HydrophobicContact CD1-CE1 3.51Å; L163-F176 HydrophobicContact CD1-CE2 4.33Å; L163-F176 HydrophobicContact CD1-CZ 3.68Å; L163-F176 HydrophobicContact CG-CZ 4.43Å; E172-F176 WeakPolarHBondContact O-CB 3.42Å; E172-F176 PolarHBondContact O-N 2.85Å; V173-F176 WeakPolarHBondContact O-CB 3.02Å; V173-F176 PolarHBondContact O-N 3.29Å; L174-F176 VanDerWaalsContact C-N 3.31Å; L174-F176 PolarHBondContact O-N 3.33Å; F176-F179 WeakPolarHBondContact O-CB 3.21Å; F176-F179 PolarHBondContact O-N 2.74Å; F176-W180 AromaticContact CD2-CD1 3.6Å; F176-W180 AromaticContact CD2-NE1 3.59Å; F176-W180 AromaticContact CE1-CD1 3.81Å; F176-W180 AromaticContact CE2-CD1 3.27Å; F176-W180 HydrophobicContact CE2-CG 4.47Å; F176-W180 AromaticContact CE2-NE1 3.07Å; F176-W180 AromaticContact CZ-CD1 3.36Å; F176-W180 HydrophobicContact CZ-CG 4.3Å; F176-W180 AromaticContact CZ-NE1 3.54Å; F176-W180 PolarHBondContact O-N 3.38Å
177	Y	98.1	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-41.1	-177.4	-86.8	-51.2	0	0	0	114.2	V173 L174 K175 F179 W180 E181 V232 A235 K236 D239 I242	V173-Y177 HydrophobicContact CG1-CD2 3.85Å; V173-Y177 HydrophobicContact CG1-CE2 3.65Å; V173-Y177 WeakPolarHBondContact O-CD2 3.18Å; V173-Y177 PolarHBondContact O-N 2.96Å; V173-Y177 VanDerWaalsContact O-N 3.14Å; L174-Y177 WeakPolarHBondContact O-CB 3.42Å; L174-Y177 PolarHBondContact O-N 3.47Å; L174-Y177 VanDerWaalsContact O-N 3.07Å; K175-Y177 VanDerWaalsContact C-N 3.29Å; K175-Y177 PolarHBondContact O-N 2.6Å; Y177-F179 VanDerWaalsContact C-N 3.25Å; Y177-F179 PolarHBondContact O-N 3.4Å; Y177-W180 PolarHBondContact O-N 2.79Å; Y177-W180 VanDerWaalsContact O-N 3.15Å; Y177-E181 WeakPolarHBondContact O-CG 3.12Å; Y177-E181 PolarHBondContact O-N 3.31Å; Y177-V232 HydrophobicContact CD1-CG1 4.04Å; Y177-A235 HydrophobicContact CE1-CB 3.94Å; Y177-A235 VanDerWaalsContact OH-C 3.23Å; Y177-A235 PolarHBondContact OH-O 3.43Å; Y177-K236 HydrophobicContact CD1-CD 4.08Å; Y177-K236 VanDerWaalsContact CD1-CE 3.5Å; Y177-K236 HydrophobicContact CD1-CG 3.34Å; Y177-K236 HydrophobicContact CD2-CG 3.96Å; Y177-K236 HydrophobicContact CE1-CB 4.31Å; Y177-K236 HydrophobicContact CE1-CG 3.4Å; Y177-K236 VanDerWaalsContact CE1-CG 3.4Å; Y177-K236 HydrophobicContact CE2-CG 4.03Å; Y177-K236 HydrophobicContact CG-CD 4.15Å; Y177-K236 HydrophobicContact CG-CG 3.64Å; Y177-K236 PolarHBondContact OH-N 3.32Å; Y177-D239 HydrophobicContact CE2-CB 4.47Å; Y177-D239 PolarHBondContact OH-OD2 3.1Å; Y177-I242 HydrophobicContact CD2-CD1 3.83Å; Y177-I242 HydrophobicContact CE2-CD1 3.46Å; Y177-I242 VanDerWaalsContact CE2-CD1 3.46Å
178	D	96.9	Very high	95.6	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-41.7	177.2	-65.9	-16.8	0	0	0	110.6	L174 E182	L174-D178 PolarHBondContact O-N 3.32Å; D178-E182 PolarHBondContact O-N 2.8Å
179	F	97.5	Very high	95.6	Very high	35 Å²	35	50.7 Å²	50.7	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-48.4	174.2	176.2	-82.9	0	0	0	112.3	S155 K157 T160 P161 K175 F176 Y177 E182 Y183	S155-F179 WeakPolarHBondContact OG-CZ 3.31Å; K157-F179 HydrophobicContact CB-CE2 3.6Å; K157-F179 HydrophobicContact CB-CZ 3.95Å; K157-F179 WeakPolarHBondContact O-CZ 3.47Å; T160-F179 HydrophobicContact CG2-CE1 3.86Å; T160-F179 HydrophobicContact CG2-CZ 3.67Å; P161-F179 HydrophobicContact CG-CB 3.51Å; P161-F179 HydrophobicContact CG-CD1 3.76Å; P161-F179 HydrophobicContact CG-CD2 4.16Å; P161-F179 HydrophobicContact CG-CG 3.54Å; K175-F179 PolarHBondContact O-N 3.4Å; K175-F179 VanDerWaalsContact O-N 3.16Å; F176-F179 WeakPolarHBondContact O-CB 3.21Å; F176-F179 PolarHBondContact O-N 2.74Å; Y177-F179 VanDerWaalsContact C-N 3.25Å; Y177-F179 PolarHBondContact O-N 3.4Å; F179-E182 CarbonylContact O-C 3.58Å; F179-E182 PolarHBondContact O-N 3.25Å; F179-Y183 PolarHBondContact O-N 2.64Å
180	W	97.9	Very high	95.5	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-77.7	-22.1	-173.9	-74.6	108.1	0	0	0	113.6	F148 K151 T160 F176 Y177 E182 Y183 V228 V232	F148-W180 HydrophobicContact CB-CH2 4.25Å; F148-W180 HydrophobicContact CB-CZ2 3.8Å; F148-W180 AromaticContact CD1-CD2 3.45Å; F148-W180 HydrophobicContact CD1-CD2 3.45Å; F148-W180 VanDerWaalsContact CD1-CD2 3.45Å; F148-W180 AromaticContact CD1-CE2 3.47Å; F148-W180 VanDerWaalsContact CD1-CE2 3.47Å; F148-W180 AromaticContact CD1-CE3 3.65Å; F148-W180 HydrophobicContact CD1-CE3 3.65Å; F148-W180 AromaticContact CD1-CG 3.97Å; F148-W180 HydrophobicContact CD1-CG 3.97Å; F148-W180 AromaticContact CD1-CH2 3.91Å; F148-W180 HydrophobicContact CD1-CH2 3.91Å; F148-W180 AromaticContact CD1-CZ2 3.73Å; F148-W180 HydrophobicContact CD1-CZ2 3.73Å; F148-W180 AromaticContact CD1-CZ3 3.87Å; F148-W180 HydrophobicContact CD1-CZ3 3.87Å; F148-W180 AromaticContact CD1-NE1 3.97Å; F148-W180 HydrophobicContact CE1-CB 4.23Å; F148-W180 AromaticContact CE1-CD2 3.71Å; F148-W180 HydrophobicContact CE1-CD2 3.71Å; F148-W180 AromaticContact CE1-CE3 3.92Å; F148-W180 HydrophobicContact CE1-CE3 3.92Å; F148-W180 AromaticContact CE1-CG 3.84Å; F148-W180 HydrophobicContact CE1-CG 3.84Å; F148-W180 HydrophobicContact CE1-CZ3 4.5Å; F148-W180 HydrophobicContact CG-CD2 4.47Å; F148-W180 HydrophobicContact CG-CZ2 4.18Å; F148-W180 WeakPolarHBondContact O-CH2 3.2Å; K151-W180 HydrophobicContact CB-CH2 3.91Å; K151-W180 HydrophobicContact CB-CZ3 3.82Å; T160-W180 HydrophobicContact CG2-CZ2 4.49Å; F176-W180 AromaticContact CD2-CD1 3.6Å; F176-W180 AromaticContact CD2-NE1 3.59Å; F176-W180 AromaticContact CE1-CD1 3.81Å; F176-W180 AromaticContact CE2-CD1 3.27Å; F176-W180 HydrophobicContact CE2-CG 4.47Å; F176-W180 AromaticContact CE2-NE1 3.07Å; F176-W180 AromaticContact CZ-CD1 3.36Å; F176-W180 HydrophobicContact CZ-CG 4.3Å; F176-W180 AromaticContact CZ-NE1 3.54Å; F176-W180 PolarHBondContact O-N 3.38Å; Y177-W180 PolarHBondContact O-N 2.79Å; Y177-W180 VanDerWaalsContact O-N 3.15Å; W180-E182 VanDerWaalsContact C-N 3.29Å; W180-Y183 AromaticContact CE3-CD2 3.53Å; W180-Y183 HydrophobicContact CE3-CD2 3.53Å; W180-Y183 HydrophobicContact CE3-CE2 4.18Å; W180-Y183 HydrophobicContact CE3-CG 4.09Å; W180-Y183 HydrophobicContact CH2-CD2 4.4Å; W180-Y183 HydrophobicContact CH2-CE2 4.33Å; W180-Y183 AromaticContact CZ3-CD2 3.33Å; W180-Y183 HydrophobicContact CZ3-CD2 3.33Å; W180-Y183 AromaticContact CZ3-CE2 3.49Å; W180-Y183 HydrophobicContact CZ3-CE2 3.49Å; W180-Y183 VanDerWaalsContact CZ3-CE2 3.49Å; W180-Y183 HydrophobicContact CZ3-CG 4.22Å; W180-Y183 WeakPolarHBondContact O-CB 3.38Å; W180-Y183 PolarHBondContact O-N 3.14Å; W180-V228 HydrophobicContact CE3-CG1 3.9Å; W180-V228 HydrophobicContact CZ3-CG1 4.31Å; W180-V232 HydrophobicContact CB-CG2 3.58Å
181	E	95.9	Very high	95.5	Very high	70 Å²	70	46.5 Å²	46.5	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-35.5	168.3	-76.7	-175.6	152	0	0	111.9	Y177 Y183 V232 K236	Y177-E181 WeakPolarHBondContact O-CG 3.12Å; Y177-E181 PolarHBondContact O-N 3.31Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 2.95Å; E181-V232 HydrophobicContact CG-CG1 3.63Å; E181-K236 VanDerWaalsContact OE1-CE 3.24Å; E181-K236 WeakPolarHBondContact OE1-CE 3.44Å; E181-K236 IonicContact OE1-NZ 3.72Å; E181-K236 PolarHBondContact OE1-NZ 2.98Å; E181-K236 IonicContact OE2-NZ 3.27Å; E181-K236 PolarHBondContact OE2-NZ 3.41Å
182	E	95.5	Very high	95.3	Very high	124 Å²	124	44.5 Å²	44.5	58%	0.579	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	20.2	173.9	-61.1	-171.3	175.1	0	0	113.6	K157 D178 F179 W180 D184	K157-E182 IonicContact NZ-OE2 2.78Å; K157-E182 PolarHBondContact NZ-OE2 3.27Å; D178-E182 PolarHBondContact O-N 2.8Å; F179-E182 CarbonylContact O-C 3.58Å; F179-E182 PolarHBondContact O-N 3.25Å; W180-E182 VanDerWaalsContact C-N 3.29Å; E182-D184 PolarHBondContact O-N 3.02Å
183	Y	96.1	Very high	95.2	Very high	5 Å²	5	40 Å²	40	2%	0.02	20%	0.202	C	C	.	.			trans	-55.8	127.4	-179.1	177.6	-102	0	0	0	111.7	K151 F179 W180 E181 E224 V225 V228	K151-Y183 HydrophobicContact CB-CE2 4.45Å; K151-Y183 PolarHBondContact O-OH 2.69Å; F179-Y183 PolarHBondContact O-N 2.64Å; W180-Y183 AromaticContact CE3-CD2 3.53Å; W180-Y183 HydrophobicContact CE3-CD2 3.53Å; W180-Y183 HydrophobicContact CE3-CE2 4.18Å; W180-Y183 HydrophobicContact CE3-CG 4.09Å; W180-Y183 HydrophobicContact CH2-CD2 4.4Å; W180-Y183 HydrophobicContact CH2-CE2 4.33Å; W180-Y183 AromaticContact CZ3-CD2 3.33Å; W180-Y183 HydrophobicContact CZ3-CD2 3.33Å; W180-Y183 AromaticContact CZ3-CE2 3.49Å; W180-Y183 HydrophobicContact CZ3-CE2 3.49Å; W180-Y183 VanDerWaalsContact CZ3-CE2 3.49Å; W180-Y183 HydrophobicContact CZ3-CG 4.22Å; W180-Y183 WeakPolarHBondContact O-CB 3.38Å; W180-Y183 PolarHBondContact O-N 3.14Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 2.95Å; Y183-E224 HydrophobicContact CE1-CG 4.3Å; Y183-E224 PolarHBondContact OH-OE1 3.26Å; Y183-V225 HydrophobicContact CD1-CG2 4.47Å; Y183-V228 HydrophobicContact CD1-CB 3.83Å; Y183-V228 HydrophobicContact CD1-CG1 3.75Å; Y183-V228 HydrophobicContact CD1-CG2 3.93Å; Y183-V228 HydrophobicContact CD2-CG1 4.38Å; Y183-V228 HydrophobicContact CE1-CB 4.18Å; Y183-V228 HydrophobicContact CE1-CG1 4.35Å; Y183-V228 HydrophobicContact CE1-CG2 3.74Å; Y183-V228 HydrophobicContact CG-CB 4.37Å; Y183-V228 HydrophobicContact CG-CG1 3.77Å
184	D	93.5	Very high	94.8	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.374	23%	0.232	S	C	.	.			trans	-132.9	126	176.3	-172.2	5.6	0	0	0	109.4	K156 E182	K156-D184 HydrophobicContact CD-CB 4.3Å; K156-D184 VanDerWaalsContact CD-OD2 3.3Å; K156-D184 WeakPolarHBondContact CD-OD2 3.37Å; K156-D184 PolarHBondContact N-O 3.48Å; K156-D184 IonicContact NZ-OD1 3.12Å; K156-D184 PolarHBondContact NZ-OD1 2.82Å; K156-D184 IonicContact NZ-OD2 2.82Å; K156-D184 PolarHBondContact NZ-OD2 3.49Å; E182-D184 PolarHBondContact O-N 3.02Å
185	T	94	Very high	94.3	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-95.8	135.1	-169.8	-175.7	0	0	0	0	112.2	W154 K156 R187 R221 E224 V225	W154-T185 CarbonylContact O-C 3.51Å; W154-T185 VanDerWaalsContact O-CA 3.29Å; W154-T185 WeakPolarHBondContact O-CA 3.21Å; K156-T185 WeakPolarHBondContact CE-O 3.41Å; K156-T185 PolarHBondContact NZ-O 2.92Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 WeakPolarHBondContact OG1-CB 3.33Å; T185-R187 PolarHBondContact OG1-N 2.99Å; T185-R187 VanDerWaalsContact OG1-N 3.13Å; T185-R221 HydrophobicContact CG2-CB 4.43Å; T185-R221 HydrophobicContact CG2-CG 4.3Å; T185-E224 WeakPolarHBondContact CB-OE1 3.2Å; T185-E224 PolarHBondContact OG1-OE1 3.33Å; T185-V225 HydrophobicContact CG2-CG2 4.02Å
186	C	91.3	Very high	93.7	Very high	41 Å²	41	46.1 Å²	46.1	28%	0.277	23%	0.232	S	C	.	.			trans	-90.3	1.8	168.8	68.4	0	0	0	0	112.7	W154 K156 D188	W154-C186 PolarHBondContact O-N 3.14Å; W154-C186 PolarHBondContact O-SG 3.19Å; K156-C186 HydrophobicContact CG-CB 3.7Å; C186-D188 PolarHBondContact O-N 3.18Å
187	R	93.7	Very high	93	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.019	25%	0.252	C	S	.	.			trans	-61.6	131.2	-177.6	-164.3	169.3	175.9	-166.4	-1.3	111.6	S120 V126 D128 W154 T185 Y189 E224	S120-R187 PolarHBondContact O-NE 3.23Å; S120-R187 PolarHBondContact O-NH2 3.42Å; V126-R187 VanDerWaalsContact CG1-NH2 3.27Å; D128-R187 IonicContact OD1-CZ 3.84Å; D128-R187 IonicContact OD1-NH1 3.12Å; D128-R187 PolarHBondContact OD1-NH1 3.28Å; D128-R187 IonicContact OD1-NH2 3.38Å; D128-R187 PolarHBondContact OD1-NH2 3.42Å; D128-R187 IonicContact OD2-CZ 3.05Å; D128-R187 IonicContact OD2-NH1 2.86Å; D128-R187 IonicContact OD2-NH2 2.84Å; D128-R187 PolarHBondContact OD2-NH2 3.21Å; W154-R187 HydrophobicContact CB-CB 4.16Å; W154-R187 HydrophobicContact CD2-CB 4.21Å; W154-R187 HydrophobicContact CD2-CG 4.04Å; W154-R187 HydrophobicContact CE3-CB 4.21Å; W154-R187 HydrophobicContact CE3-CG 4.18Å; W154-R187 HydrophobicContact CG-CB 4.19Å; W154-R187 HydrophobicContact CG-CG 4.29Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 WeakPolarHBondContact OG1-CB 3.33Å; T185-R187 PolarHBondContact OG1-N 2.99Å; T185-R187 VanDerWaalsContact OG1-N 3.13Å; R187-Y189 HydrophobicContact CB-CE2 4.4Å; R187-Y189 WeakPolarHBondContact CD-OH 3.49Å; R187-Y189 HydrophobicContact CG-CE1 4.34Å; R187-Y189 HydrophobicContact CG-CE2 4.27Å; R187-Y189 PolarHBondContact NH1-OH 3.21Å; R187-E224 WeakPolarHBondContact CD-OE2 3.46Å; R187-E224 IonicContact CZ-OE2 2.84Å; R187-E224 IonicContact NE-OE2 3.4Å; R187-E224 IonicContact NH1-OE2 3.57Å; R187-E224 PolarHBondContact NH1-OE2 2.94Å
188	D	93.6	Very high	92.4	Very high	32 Å²	32	58 Å²	58	17%	0.171	29%	0.286	C	S	.	.			trans	-107.3	119.9	-178.3	-174	11.1	0	0	0	111.5	A117 S120 C186 S190	A117-D188 HydrophobicContact CB-CB 4.44Å; S120-D188 WeakPolarHBondContact CB-O 3.29Å; S120-D188 PolarHBondContact OG-N 2.92Å; S120-D188 VanDerWaalsContact OG-N 3.07Å; S120-D188 PolarHBondContact OG-O 3.44Å; C186-D188 PolarHBondContact O-N 3.18Å; D188-S190 VanDerWaalsContact CG-OG 3.22Å; D188-S190 VanDerWaalsContact OD1-CB 3.29Å; D188-S190 WeakPolarHBondContact OD1-CB 3.32Å; D188-S190 PolarHBondContact OD1-N 3.41Å; D188-S190 PolarHBondContact OD1-OG 3.34Å; D188-S190 PolarHBondContact OD2-OG 2.64Å
189	Y	95.4	Very high	91.9	Very high	15 Å²	15	61.5 Å²	61.5	6%	0.059	30%	0.297	C	S	.	.			trans	-97.7	11.4	179.2	-62.6	-76.2	0	0	0	113.4	V121 R187 Y191 L192 R220 R221 E224	V121-Y189 HydrophobicContact CG1-CD1 3.85Å; V121-Y189 HydrophobicContact CG1-CE1 4.31Å; R187-Y189 HydrophobicContact CB-CE2 4.4Å; R187-Y189 WeakPolarHBondContact CD-OH 3.49Å; R187-Y189 HydrophobicContact CG-CE1 4.34Å; R187-Y189 HydrophobicContact CG-CE2 4.27Å; R187-Y189 PolarHBondContact NH1-OH 3.21Å; Y189-Y191 PolarHBondContact O-N 2.75Å; Y189-L192 HydrophobicContact CD1-CD1 4.21Å; Y189-L192 WeakPolarHBondContact O-CB 3.48Å; Y189-L192 PolarHBondContact O-N 3.22Å; Y189-R220 HydrophobicContact CD1-CB 4.06Å; Y189-R220 HydrophobicContact CD2-CB 3.61Å; Y189-R220 HydrophobicContact CE1-CB 4.27Å; Y189-R220 HydrophobicContact CE2-CB 3.85Å; Y189-R220 HydrophobicContact CG-CB 3.71Å; Y189-R220 HydrophobicContact CG-CG 4.49Å; Y189-R221 HydrophobicContact CD2-CG 3.83Å; Y189-R221 HydrophobicContact CE2-CG 3.85Å; Y189-E224 PolarHBondContact OH-OE2 2.83Å; Y189-E224 VanDerWaalsContact OH-OE2 3.11Å
190	S	93.2	Very high	91.3	Very high	34 Å²	34	60.1 Å²	60.1	24%	0.238	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.7	-25.4	-178.8	64	0	0	0	0	113.9	A117 D188 L192 D193	A117-S190 WeakPolarHBondContact CB-OG 3.36Å; D188-S190 VanDerWaalsContact CG-OG 3.22Å; D188-S190 VanDerWaalsContact OD1-CB 3.29Å; D188-S190 WeakPolarHBondContact OD1-CB 3.32Å; D188-S190 PolarHBondContact OD1-N 3.41Å; D188-S190 PolarHBondContact OD1-OG 3.34Å; D188-S190 PolarHBondContact OD2-OG 2.64Å; S190-L192 PolarHBondContact O-N 3.47Å; S190-D193 WeakPolarHBondContact O-CB 3.32Å; S190-D193 PolarHBondContact O-N 2.84Å
191	Y	93.5	Very high	91	Very high	31 Å²	31	68.7 Å²	68.7	12%	0.122	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-64.8	-25.6	173.4	-168.5	-94.8	0	0	0	113	W45 K46 H50 I108 A117 Y118 V121 Y189 D193	W45-Y191 HydrophobicContact CZ3-CE2 4.34Å; K46-Y191 WeakPolarHBondContact CE-O 3.44Å; K46-Y191 HydrophobicContact CG-CE1 4.14Å; K46-Y191 PolarHBondContact O-OH 3.35Å; H50-Y191 AromaticContact NE2-CZ 3.76Å; H50-Y191 PolarHBondContact NE2-OH 3.29Å; I108-Y191 HydrophobicContact CD1-CE2 4.13Å; I108-Y191 HydrophobicContact CG2-CE2 4.42Å; A117-Y191 WeakPolarHBondContact O-CB 3.31Å; Y118-Y191 HydrophobicContact CD2-CD1 4.21Å; Y118-Y191 HydrophobicContact CD2-CD2 4.17Å; Y118-Y191 AromaticContact CD2-CE1 3.85Å; Y118-Y191 HydrophobicContact CD2-CE1 3.85Å; Y118-Y191 AromaticContact CD2-CE2 3.81Å; Y118-Y191 HydrophobicContact CD2-CE2 3.81Å; Y118-Y191 HydrophobicContact CD2-CG 4.36Å; Y118-Y191 AromaticContact CD2-CZ 3.65Å; Y118-Y191 HydrophobicContact CE2-CE1 4.26Å; V121-Y191 HydrophobicContact CG2-CD1 3.61Å; V121-Y191 HydrophobicContact CG2-CG 4.07Å; Y189-Y191 PolarHBondContact O-N 2.75Å; Y191-D193 VanDerWaalsContact C-N 3.33Å
192	L	92.3	Very high	90.8	Very high	69 Å²	69	68.5 Å²	68.5	36%	0.361	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-92.1	13.7	177.4	-60	179.7	0	0	0	113.1	V121 Y189 S190 E194 R220	V121-L192 HydrophobicContact CB-CD1 4.29Å; V121-L192 HydrophobicContact CB-CD2 4.36Å; V121-L192 HydrophobicContact CB-CG 4.23Å; V121-L192 HydrophobicContact CG1-CD1 3.68Å; V121-L192 HydrophobicContact CG1-CG 3.88Å; V121-L192 HydrophobicContact CG2-CD2 4.16Å; V121-L192 HydrophobicContact CG2-CG 4.17Å; Y189-L192 HydrophobicContact CD1-CD1 4.21Å; Y189-L192 WeakPolarHBondContact O-CB 3.48Å; Y189-L192 PolarHBondContact O-N 3.22Å; S190-L192 PolarHBondContact O-N 3.47Å; L192-E194 PolarHBondContact O-N 3.27Å; L192-R220 PolarHBondContact O-NH1 2.81Å
193	D	93.4	Very high	90.6	Very high	23 Å²	23	70.6 Å²	70.6	12%	0.123	34%	0.336	C	S	.	.			trans	-59.8	131.1	170.8	-76.7	2.1	0	0	0	109.9	K46 S190 Y191 N213 R217	K46-D193 PolarHBondContact NZ-O 3.44Å; S190-D193 WeakPolarHBondContact O-CB 3.32Å; S190-D193 PolarHBondContact O-N 2.84Å; Y191-D193 VanDerWaalsContact C-N 3.33Å; D193-N213 HydrophobicContact CB-CB 4.48Å; D193-N213 PolarHBondContact OD2-ND2 3.47Å; D193-R217 IonicContact OD1-CZ 3.97Å; D193-R217 IonicContact OD1-NE 2.71Å; D193-R217 PolarHBondContact OD1-NE 3.25Å; D193-R217 IonicContact OD1-NH2 2.9Å; D193-R217 IonicContact OD2-CZ 3.75Å; D193-R217 IonicContact OD2-NE 3.83Å; D193-R217 PolarHBondContact OD2-NE 3.44Å; D193-R217 IonicContact OD2-NH2 3.84Å; D193-R217 PolarHBondContact OD2-NH2 2.82Å
194	E	89.4	Confident	90.4	Very high	139 Å²	139	77.2 Å²	77.2	65%	0.65	37%	0.368	S	S	*	.	S	Bend	trans	-74	-48.9	-178.4	-69	174.3	-167.6	0	0	110.8	L192	L192-E194 PolarHBondContact O-N 3.27Å
195	E	85.9	Confident	90.4	Very high	113 Å²	113	76.5 Å²	76.5	53%	0.528	37%	0.366	S	S	.	.	S	Bend	trans	-107.5	132.3	-178.5	-66.8	-59.4	152.2	0	0	111.2	I209 N213	E195-I209 HydrophobicContact CB-CB 4.48Å; E195-I209 HydrophobicContact CB-CD1 4.48Å; E195-I209 HydrophobicContact CB-CG1 4.13Å; E195-I209 HydrophobicContact CB-CG2 3.64Å; E195-I209 VanDerWaalsContact O-CG2 3.32Å; E195-I209 WeakPolarHBondContact O-CG2 3.22Å; E195-N213 PolarHBondContact O-ND2 3.33Å
196	D	83.8	Confident	90.3	Very high	70 Å²	70	81.3 Å²	81.3	37%	0.374	38%	0.383	S	S	.	.			trans	-81.9	118.6	174.7	-177.3	-7	0	0	0	109.7	E198 K199	D196-E198 PolarHBondContact O-N 2.81Å; D196-E198 VanDerWaalsContact O-N 3.08Å; D196-E198 PolarHBondContact OD1-N 3.36Å; D196-K199 HydrophobicContact CB-CD 3.99Å; D196-K199 HydrophobicContact CB-CG 3.98Å; D196-K199 WeakPolarHBondContact O-CB 3.09Å; D196-K199 PolarHBondContact O-N 3Å
197	K	83.3	Confident	90.4	Very high	100 Å²	100	85.7 Å²	85.7	44%	0.435	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-58.3	-24.5	-179.7	75.7	-177.5	-178.4	-170.7	0	112.9	K199 R206 I209 E210	K197-K199 VanDerWaalsContact C-N 3.26Å; K197-R206 WeakPolarHBondContact O-CD 3.18Å; K197-R206 WeakPolarHBondContact O-CG 3.5Å; K197-I209 HydrophobicContact CB-CG2 4.07Å; K197-E210 WeakPolarHBondContact CD-OE2 3.36Å
198	E	85	Confident	90.3	Very high	151 Å²	151	87.6 Å²	87.6	71%	0.706	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-74.5	-22.1	-179.9	-63.8	-173	174.8	0	0	111.9	D196	D196-E198 PolarHBondContact O-N 2.81Å; D196-E198 VanDerWaalsContact O-N 3.08Å; D196-E198 PolarHBondContact OD1-N 3.36Å
199	K	85.2	Confident	90.2	Very high	161 Å²	161	87.3 Å²	87.3	70%	0.7	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-82.8	-6.7	178	-62	-176.4	-174.9	175.5	0	114.4	D196 K197	D196-K199 HydrophobicContact CB-CD 3.99Å; D196-K199 HydrophobicContact CB-CG 3.98Å; D196-K199 WeakPolarHBondContact O-CB 3.09Å; D196-K199 PolarHBondContact O-N 3Å; K197-K199 VanDerWaalsContact C-N 3.26Å
200	G	86.6	Confident	90.1	Very high	6 Å²	6	89.5 Å²	89.5	6%	0.062	42%	0.42	C	S	.	.			trans	-65.3	133.6	173.6	0	0	0	0	0	111.2	R206	G200-R206 PolarHBondContact O-NE 2.76Å; G200-R206 PolarHBondContact O-NH2 2.92Å
201	E	89.8	Confident	90.3	Very high	180 Å²	180	95.6 Å²	95.6	84%	0.841	44%	0.438	S	S	*	.	S	Bend	trans	-65.9	-54	-175.5	-61.8	179.2	169.3	0	0	111.2	T205 R206	E201-T205 PolarHBondContact N-OG1 3.33Å; E201-R206 PolarHBondContact O-NH1 3.47Å; E201-R206 PolarHBondContact O-NH2 3.31Å; E201-R206 VanDerWaalsContact O-NH2 3.07Å
202	D	92.7	Very high	90.3	Very high	66 Å²	66	99.1 Å²	99.1	35%	0.353	46%	0.456	S	S	.	.	S	Bend	trans	-111.3	176.1	-174.6	81	-52.5	0	0	0	112.3	E204 T205 R206	D202-E204 VanDerWaalsContact C-N 3.31Å; D202-E204 PolarHBondContact O-N 3.42Å; D202-E204 VanDerWaalsContact OD2-CB 3.3Å; D202-E204 WeakPolarHBondContact OD2-CB 3.09Å; D202-E204 PolarHBondContact OD2-N 3.44Å; D202-T205 PolarHBondContact N-OG1 2.94Å; D202-T205 PolarHBondContact O-OG1 3.23Å; D202-T205 WeakPolarHBondContact OD1-CB 3.44Å; D202-T205 WeakPolarHBondContact OD1-CG2 3.08Å; D202-T205 PolarHBondContact OD1-N 3.45Å; D202-T205 VanDerWaalsContact OD1-N 3.07Å; D202-T205 PolarHBondContact OD1-OG1 2.83Å; D202-R206 WeakPolarHBondContact O-CG 3.41Å; D202-R206 PolarHBondContact O-N 2.98Å; D202-R206 PolarHBondContact O-NH1 2.89Å
203	R	92.2	Very high	90.5	Very high	168 Å²	168	96.2 Å²	96.2	63%	0.634	44%	0.44	S	S	*	.	H	α-helix	trans	-68.4	-31.8	-176.4	-172.8	-177	-175.4	-168.7	6.6	112.2	R207	R203-R207 VanDerWaalsContact CZ-NH2 3.27Å; R203-R207 WeakPolarHBondContact O-CG 3.42Å; R203-R207 PolarHBondContact O-N 2.95Å
204	E	91.4	Very high	90.6	Very high	145 Å²	145	103.7 Å²	103.7	68%	0.678	47%	0.467	S	S	*	.	H	α-helix	trans	-77.5	-39.9	-175.7	-57.5	-171.6	166.6	0	0	111.2	D202 R207 A208	D202-E204 VanDerWaalsContact C-N 3.31Å; D202-E204 PolarHBondContact O-N 3.42Å; D202-E204 VanDerWaalsContact OD2-CB 3.3Å; D202-E204 WeakPolarHBondContact OD2-CB 3.09Å; D202-E204 PolarHBondContact OD2-N 3.44Å; E204-R207 CarbonylContact O-C 3.5Å; E204-R207 PolarHBondContact O-N 2.88Å; E204-A208 WeakPolarHBondContact O-CB 3.48Å; E204-A208 PolarHBondContact O-N 3.25Å
205	T	92	Very high	91	Very high	54 Å²	54	102 Å²	102	33%	0.331	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-46.8	172	51.7	0	0	0	0	111.8	E201 D202 R207 A208 I209	E201-T205 PolarHBondContact N-OG1 3.33Å; D202-T205 PolarHBondContact N-OG1 2.94Å; D202-T205 PolarHBondContact O-OG1 3.23Å; D202-T205 WeakPolarHBondContact OD1-CB 3.44Å; D202-T205 WeakPolarHBondContact OD1-CG2 3.08Å; D202-T205 PolarHBondContact OD1-N 3.45Å; D202-T205 VanDerWaalsContact OD1-N 3.07Å; D202-T205 PolarHBondContact OD1-OG1 2.83Å; T205-R207 VanDerWaalsContact C-N 3.26Å; T205-R207 PolarHBondContact O-N 2.99Å; T205-A208 WeakPolarHBondContact O-CB 3.31Å; T205-A208 PolarHBondContact O-N 2.68Å; T205-I209 VanDerWaalsContact O-CG1 3.32Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 2.84Å
206	R	93.5	Very high	91.5	Very high	104 Å²	104	97.8 Å²	97.8	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-57.8	-38.6	176.2	-60.8	-169.7	-171.3	83.1	-1.3	112.6	K197 G200 E201 D202 E210	K197-R206 WeakPolarHBondContact O-CD 3.18Å; K197-R206 WeakPolarHBondContact O-CG 3.5Å; G200-R206 PolarHBondContact O-NE 2.76Å; G200-R206 PolarHBondContact O-NH2 2.92Å; E201-R206 PolarHBondContact O-NH1 3.47Å; E201-R206 PolarHBondContact O-NH2 3.31Å; E201-R206 VanDerWaalsContact O-NH2 3.07Å; D202-R206 WeakPolarHBondContact O-CG 3.41Å; D202-R206 PolarHBondContact O-N 2.98Å; D202-R206 PolarHBondContact O-NH1 2.89Å; R206-E210 PolarHBondContact O-N 3.31Å
207	R	92.8	Very high	92	Very high	133 Å²	133	96.3 Å²	96.3	50%	0.502	43%	0.431	S	S	.	.	H	α-helix	trans	-71.6	-34.1	175.4	-74.9	173.1	168.5	-173.8	-7.2	112.7	R203 E204 T205 R211	R203-R207 VanDerWaalsContact CZ-NH2 3.27Å; R203-R207 WeakPolarHBondContact O-CG 3.42Å; R203-R207 PolarHBondContact O-N 2.95Å; E204-R207 CarbonylContact O-C 3.5Å; E204-R207 PolarHBondContact O-N 2.88Å; T205-R207 VanDerWaalsContact C-N 3.26Å; T205-R207 PolarHBondContact O-N 2.99Å; R207-R211 WeakPolarHBondContact O-CB 3.48Å; R207-R211 VanDerWaalsContact O-CG 3.25Å; R207-R211 WeakPolarHBondContact O-CG 3.49Å; R207-R211 PolarHBondContact O-N 3.21Å; R207-R211 VanDerWaalsContact O-N 3.13Å; R207-R211 PolarHBondContact O-NE 2.85Å
208	A	91.7	Very high	92.7	Very high	45 Å²	45	93 Å²	93	37%	0.372	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-45.4	174.7	0	0	0	0	0	110.6	E204 T205 R211 Q212	E204-A208 WeakPolarHBondContact O-CB 3.48Å; E204-A208 PolarHBondContact O-N 3.25Å; T205-A208 WeakPolarHBondContact O-CB 3.31Å; T205-A208 PolarHBondContact O-N 2.68Å; A208-R211 PolarHBondContact O-N 3.46Å; A208-Q212 PolarHBondContact O-N 3.2Å
209	I	91.8	Very high	93.3	Very high	27 Å²	27	91.3 Å²	91.3	14%	0.138	41%	0.409	C	S	.	.	H	α-helix	trans	-58	-53.2	175.7	-67.6	163.7	0	0	0	110.9	E195 K197 T205 R211 Q212 N213	E195-I209 HydrophobicContact CB-CB 4.48Å; E195-I209 HydrophobicContact CB-CD1 4.48Å; E195-I209 HydrophobicContact CB-CG1 4.13Å; E195-I209 HydrophobicContact CB-CG2 3.64Å; E195-I209 VanDerWaalsContact O-CG2 3.32Å; E195-I209 WeakPolarHBondContact O-CG2 3.22Å; K197-I209 HydrophobicContact CB-CG2 4.07Å; T205-I209 VanDerWaalsContact O-CG1 3.32Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 2.84Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.86Å; I209-Q212 PolarHBondContact O-N 3.42Å; I209-Q212 VanDerWaalsContact O-N 3.1Å; I209-N213 PolarHBondContact O-N 2.87Å; I209-N213 PolarHBondContact O-OD1 3.43Å
210	E	93.8	Very high	93.8	Very high	60 Å²	60	85.4 Å²	85.4	28%	0.28	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-33.3	179.8	-176.8	63.9	-145.9	0	0	112.3	K197 R206 R214 R217	K197-E210 WeakPolarHBondContact CD-OE2 3.36Å; R206-E210 PolarHBondContact O-N 3.31Å; E210-R214 WeakPolarHBondContact O-CB 3.35Å; E210-R214 PolarHBondContact O-N 3.43Å; E210-R217 IonicContact OE1-CZ 2.77Å; E210-R217 IonicContact OE1-NH1 3.91Å; E210-R217 PolarHBondContact OE1-NH1 3.16Å; E210-R217 IonicContact OE1-NH2 2.85Å; E210-R217 PolarHBondContact OE1-NH2 3.38Å; E210-R217 IonicContact OE2-NH2 3.1Å
211	R	95.5	Very high	94.2	Very high	163 Å²	163	89 Å²	89	62%	0.615	39%	0.394	S	S	*	.	H	α-helix	trans	-63.6	-45.1	173.4	-80.8	-175.8	-68.6	165.4	-1.3	111.1	R207 A208 I209 R214 I215	R207-R211 WeakPolarHBondContact O-CB 3.48Å; R207-R211 VanDerWaalsContact O-CG 3.25Å; R207-R211 WeakPolarHBondContact O-CG 3.49Å; R207-R211 PolarHBondContact O-N 3.21Å; R207-R211 VanDerWaalsContact O-N 3.13Å; R207-R211 PolarHBondContact O-NE 2.85Å; A208-R211 PolarHBondContact O-N 3.46Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.86Å; R211-R214 PolarHBondContact O-N 2.9Å; R211-I215 VanDerWaalsContact O-CG1 3.3Å; R211-I215 WeakPolarHBondContact O-CG1 3.4Å; R211-I215 PolarHBondContact O-N 3.15Å
212	Q	95	Very high	94.5	Very high	105 Å²	105	85 Å²	85	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-46.5	178.1	-172.8	58.5	24.4	0	0	111.5	A208 I209 R214 I215 E216	A208-Q212 PolarHBondContact O-N 3.2Å; I209-Q212 PolarHBondContact O-N 3.42Å; I209-Q212 VanDerWaalsContact O-N 3.1Å; Q212-R214 VanDerWaalsContact C-N 3.3Å; Q212-R214 PolarHBondContact O-N 3.14Å; Q212-I215 WeakPolarHBondContact O-CB 3.14Å; Q212-I215 PolarHBondContact O-N 3.06Å; Q212-I215 VanDerWaalsContact O-N 3.13Å; Q212-E216 PolarHBondContact O-N 3.13Å
213	N	95.4	Very high	94.6	Very high	8 Å²	8	86.3 Å²	86.3	4%	0.043	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-42	175.4	-67.8	-3.2	0	0	0	111.1	D193 E195 I209 I215 E216 R217	D193-N213 HydrophobicContact CB-CB 4.48Å; D193-N213 PolarHBondContact OD2-ND2 3.47Å; E195-N213 PolarHBondContact O-ND2 3.33Å; I209-N213 PolarHBondContact O-N 2.87Å; I209-N213 PolarHBondContact O-OD1 3.43Å; N213-I215 VanDerWaalsContact C-N 3.34Å; N213-I215 PolarHBondContact O-N 2.94Å; N213-E216 PolarHBondContact O-N 3.46Å; N213-R217 WeakPolarHBondContact O-CB 3.35Å; N213-R217 VanDerWaalsContact O-CG 3.23Å; N213-R217 WeakPolarHBondContact O-CG 3.36Å; N213-R217 PolarHBondContact O-N 3.04Å
214	R	96	Very high	94.7	Very high	179 Å²	179	78.7 Å²	78.7	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-40.7	176.3	-176	179.3	178.2	-143.6	-0.8	112.3	E210 R211 Q212 A218	E210-R214 WeakPolarHBondContact O-CB 3.35Å; E210-R214 PolarHBondContact O-N 3.43Å; R211-R214 PolarHBondContact O-N 2.9Å; Q212-R214 VanDerWaalsContact C-N 3.3Å; Q212-R214 PolarHBondContact O-N 3.14Å; R214-A218 VanDerWaalsContact O-CB 3.25Å; R214-A218 WeakPolarHBondContact O-CB 3.45Å; R214-A218 PolarHBondContact O-N 2.77Å
215	I	97.8	Very high	94.9	Very high	103 Å²	103	72.6 Å²	72.6	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-47.7	176.3	-70.3	164.3	0	0	0	109.8	R211 Q212 N213 A218 R219	R211-I215 VanDerWaalsContact O-CG1 3.3Å; R211-I215 WeakPolarHBondContact O-CG1 3.4Å; R211-I215 PolarHBondContact O-N 3.15Å; Q212-I215 WeakPolarHBondContact O-CB 3.14Å; Q212-I215 PolarHBondContact O-N 3.06Å; Q212-I215 VanDerWaalsContact O-N 3.13Å; N213-I215 VanDerWaalsContact C-N 3.34Å; N213-I215 PolarHBondContact O-N 2.94Å; I215-A218 CarbonylContact O-C 3.51Å; I215-A218 WeakPolarHBondContact O-CB 3.14Å; I215-A218 PolarHBondContact O-N 3.4Å; I215-R219 PolarHBondContact O-N 3.41Å
216	E	95.6	Very high	95.1	Very high	26 Å²	26	73.9 Å²	73.9	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-69.1	-41.8	-177.7	-176.8	60.6	-166.7	0	0	112.5	Q212 N213 A218 R219 R220	Q212-E216 PolarHBondContact O-N 3.13Å; N213-E216 PolarHBondContact O-N 3.46Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.19Å; E216-R219 WeakPolarHBondContact O-CB 3.39Å; E216-R219 PolarHBondContact O-N 3.27Å; E216-R219 VanDerWaalsContact O-N 3.16Å; E216-R219 IonicContact OE1-CZ 2.91Å; E216-R219 IonicContact OE1-NE 3.92Å; E216-R219 PolarHBondContact OE1-NE 3.42Å; E216-R219 IonicContact OE1-NH2 2.84Å; E216-R219 PolarHBondContact OE1-NH2 3.39Å; E216-R219 IonicContact OE2-CZ 3.5Å; E216-R219 IonicContact OE2-NE 3.74Å; E216-R219 PolarHBondContact OE2-NE 2.85Å; E216-R219 IonicContact OE2-NH2 2.8Å; E216-R220 VanDerWaalsContact CG-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.41Å; E216-R220 IonicContact OE1-CZ 3.32Å; E216-R220 IonicContact OE1-NE 3.34Å; E216-R220 PolarHBondContact OE1-NE 2.86Å; E216-R220 VanDerWaalsContact OE1-NE 3.15Å; E216-R220 IonicContact OE1-NH2 3.65Å; E216-R220 PolarHBondContact OE1-NH2 3.07Å
217	R	95.9	Very high	95.2	Very high	39 Å²	39	71.3 Å²	71.3	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-39.7	170.7	-68.7	-176.9	-145.6	140.5	-1.7	111.1	D193 E210 N213 R221	D193-R217 IonicContact OD1-CZ 3.97Å; D193-R217 IonicContact OD1-NE 2.71Å; D193-R217 PolarHBondContact OD1-NE 3.25Å; D193-R217 IonicContact OD1-NH2 2.9Å; D193-R217 IonicContact OD2-CZ 3.75Å; D193-R217 IonicContact OD2-NE 3.83Å; D193-R217 PolarHBondContact OD2-NE 3.44Å; D193-R217 IonicContact OD2-NH2 3.84Å; D193-R217 PolarHBondContact OD2-NH2 2.82Å; E210-R217 IonicContact OE1-CZ 2.77Å; E210-R217 IonicContact OE1-NH1 3.91Å; E210-R217 PolarHBondContact OE1-NH1 3.16Å; E210-R217 IonicContact OE1-NH2 2.85Å; E210-R217 PolarHBondContact OE1-NH2 3.38Å; E210-R217 IonicContact OE2-NH2 3.1Å; N213-R217 WeakPolarHBondContact O-CB 3.35Å; N213-R217 VanDerWaalsContact O-CG 3.23Å; N213-R217 WeakPolarHBondContact O-CG 3.36Å; N213-R217 PolarHBondContact O-N 3.04Å; R217-R221 WeakPolarHBondContact O-CG 3.24Å; R217-R221 PolarHBondContact O-N 3.45Å; R217-R221 VanDerWaalsContact O-N 3.08Å
218	A	96.5	Very high	95.3	Very high	29 Å²	29	65 Å²	65	24%	0.24	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-38.8	175.9	0	0	0	0	0	112.2	R214 I215 E216 R221 N222	R214-A218 VanDerWaalsContact O-CB 3.25Å; R214-A218 WeakPolarHBondContact O-CB 3.45Å; R214-A218 PolarHBondContact O-N 2.77Å; I215-A218 CarbonylContact O-C 3.51Å; I215-A218 WeakPolarHBondContact O-CB 3.14Å; I215-A218 PolarHBondContact O-N 3.4Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.19Å; A218-R221 PolarHBondContact O-N 3.14Å; A218-N222 WeakPolarHBondContact O-CB 3.24Å; A218-N222 PolarHBondContact O-N 3.36Å; A218-N222 PolarHBondContact O-ND2 3.06Å; A218-N222 PolarHBondContact O-OD1 2.64Å
219	R	97.6	Very high	95.5	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-51.5	173.9	-172.4	-176.5	74.3	96.5	-4.7	110.8	I215 E216 R221 N222 E223	I215-R219 PolarHBondContact O-N 3.41Å; E216-R219 WeakPolarHBondContact O-CB 3.39Å; E216-R219 PolarHBondContact O-N 3.27Å; E216-R219 VanDerWaalsContact O-N 3.16Å; E216-R219 IonicContact OE1-CZ 2.91Å; E216-R219 IonicContact OE1-NE 3.92Å; E216-R219 PolarHBondContact OE1-NE 3.42Å; E216-R219 IonicContact OE1-NH2 2.84Å; E216-R219 PolarHBondContact OE1-NH2 3.39Å; E216-R219 IonicContact OE2-CZ 3.5Å; E216-R219 IonicContact OE2-NE 3.74Å; E216-R219 PolarHBondContact OE2-NE 2.85Å; E216-R219 IonicContact OE2-NH2 2.8Å; R219-R221 PolarHBondContact O-N 3.37Å; R219-N222 PolarHBondContact O-N 3.14Å; R219-N222 VanDerWaalsContact O-N 3.17Å; R219-E223 WeakPolarHBondContact CG-OE1 3.23Å; R219-E223 IonicContact CZ-OE1 2.72Å; R219-E223 IonicContact NE-OE1 2.73Å; R219-E223 IonicContact NH1-OE1 2.99Å; R219-E223 PolarHBondContact NH1-OE1 3.25Å; R219-E223 IonicContact NH1-OE2 3.42Å; R219-E223 PolarHBondContact NH1-OE2 3.44Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.01Å
220	R	96	Very high	95.8	Very high	38 Å²	38	71.4 Å²	71.4	14%	0.143	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-42.5	179	-67.9	175.1	-174.9	138.4	4.3	112.8	Y189 L192 E216 N222 E223 E224	Y189-R220 HydrophobicContact CD1-CB 4.06Å; Y189-R220 HydrophobicContact CD2-CB 3.61Å; Y189-R220 HydrophobicContact CE1-CB 4.27Å; Y189-R220 HydrophobicContact CE2-CB 3.85Å; Y189-R220 HydrophobicContact CG-CB 3.71Å; Y189-R220 HydrophobicContact CG-CG 4.49Å; L192-R220 PolarHBondContact O-NH1 2.81Å; E216-R220 VanDerWaalsContact CG-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.41Å; E216-R220 IonicContact OE1-CZ 3.32Å; E216-R220 IonicContact OE1-NE 3.34Å; E216-R220 PolarHBondContact OE1-NE 2.86Å; E216-R220 VanDerWaalsContact OE1-NE 3.15Å; E216-R220 IonicContact OE1-NH2 3.65Å; E216-R220 PolarHBondContact OE1-NH2 3.07Å; R220-N222 PolarHBondContact O-N 2.79Å; R220-E223 PolarHBondContact O-N 3.34Å; R220-E224 PolarHBondContact O-N 2.69Å
221	R	95.3	Very high	95.9	Very high	82 Å²	82	68.9 Å²	68.9	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-44.3	173.1	-76	-166.8	-60.9	-92.5	-5.1	112.1	T185 Y189 R217 A218 R219 E223 E224 V225	T185-R221 HydrophobicContact CG2-CB 4.43Å; T185-R221 HydrophobicContact CG2-CG 4.3Å; Y189-R221 HydrophobicContact CD2-CG 3.83Å; Y189-R221 HydrophobicContact CE2-CG 3.85Å; R217-R221 WeakPolarHBondContact O-CG 3.24Å; R217-R221 PolarHBondContact O-N 3.45Å; R217-R221 VanDerWaalsContact O-N 3.08Å; A218-R221 PolarHBondContact O-N 3.14Å; R219-R221 PolarHBondContact O-N 3.37Å; R221-E223 VanDerWaalsContact C-N 3.34Å; R221-E224 PolarHBondContact O-N 3.4Å; R221-V225 VanDerWaalsContact O-CG2 3.3Å; R221-V225 WeakPolarHBondContact O-CG2 3.33Å; R221-V225 PolarHBondContact O-N 2.9Å
222	N	96.3	Very high	96	Very high	96 Å²	96	61.1 Å²	61.1	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-37.8	178.6	-71.1	-11	0	0	0	111.6	A218 R219 R220 V225 N226	A218-N222 WeakPolarHBondContact O-CB 3.24Å; A218-N222 PolarHBondContact O-N 3.36Å; A218-N222 PolarHBondContact O-ND2 3.06Å; A218-N222 PolarHBondContact O-OD1 2.64Å; R219-N222 PolarHBondContact O-N 3.14Å; R219-N222 VanDerWaalsContact O-N 3.17Å; R220-N222 PolarHBondContact O-N 2.79Å; N222-V225 PolarHBondContact O-N 3.17Å; N222-N226 WeakPolarHBondContact O-CB 3.42Å; N222-N226 PolarHBondContact O-N 3.47Å; N222-N226 PolarHBondContact O-ND2 2.61Å
223	E	95.2	Very high	96.1	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-45.3	174.8	-77.8	170.6	-174.4	0	0	111.9	R219 R220 R221 N226 N227	R219-E223 WeakPolarHBondContact CG-OE1 3.23Å; R219-E223 IonicContact CZ-OE1 2.72Å; R219-E223 IonicContact NE-OE1 2.73Å; R219-E223 IonicContact NH1-OE1 2.99Å; R219-E223 PolarHBondContact NH1-OE1 3.25Å; R219-E223 IonicContact NH1-OE2 3.42Å; R219-E223 PolarHBondContact NH1-OE2 3.44Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.01Å; R220-E223 PolarHBondContact O-N 3.34Å; R221-E223 VanDerWaalsContact C-N 3.34Å; E223-N226 PolarHBondContact O-N 2.79Å; E223-N227 WeakPolarHBondContact O-CB 3.45Å; E223-N227 PolarHBondContact O-N 3.19Å
224	E	94.3	Very high	96.1	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-49.7	173.4	175.3	169.3	117.9	0	0	111.6	K151 Y183 T185 R187 Y189 R220 R221 N226 N227 V228	K151-E224 IonicContact NZ-OE2 3.17Å; K151-E224 PolarHBondContact NZ-OE2 3.17Å; Y183-E224 HydrophobicContact CE1-CG 4.3Å; Y183-E224 PolarHBondContact OH-OE1 3.26Å; T185-E224 WeakPolarHBondContact CB-OE1 3.2Å; T185-E224 PolarHBondContact OG1-OE1 3.33Å; R187-E224 WeakPolarHBondContact CD-OE2 3.46Å; R187-E224 IonicContact CZ-OE2 2.84Å; R187-E224 IonicContact NE-OE2 3.4Å; R187-E224 IonicContact NH1-OE2 3.57Å; R187-E224 PolarHBondContact NH1-OE2 2.94Å; Y189-E224 PolarHBondContact OH-OE2 2.83Å; Y189-E224 VanDerWaalsContact OH-OE2 3.11Å; R220-E224 PolarHBondContact O-N 2.69Å; R221-E224 PolarHBondContact O-N 3.4Å; E224-N226 VanDerWaalsContact C-N 3.32Å; E224-N226 PolarHBondContact O-N 2.88Å; E224-N227 WeakPolarHBondContact O-CB 3.34Å; E224-N227 PolarHBondContact O-N 3.05Å; E224-V228 HydrophobicContact CG-CG2 4.46Å; E224-V228 WeakPolarHBondContact O-CG2 3.5Å; E224-V228 PolarHBondContact O-N 3.07Å
225	V	95.3	Very high	96.2	Very high	17 Å²	17	54.2 Å²	54.2	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-43.5	-179.1	169.7	0	0	0	0	111	Y183 T185 R221 N222 V228 R229	Y183-V225 HydrophobicContact CD1-CG2 4.47Å; T185-V225 HydrophobicContact CG2-CG2 4.02Å; R221-V225 VanDerWaalsContact O-CG2 3.3Å; R221-V225 WeakPolarHBondContact O-CG2 3.33Å; R221-V225 PolarHBondContact O-N 2.9Å; N222-V225 PolarHBondContact O-N 3.17Å; V225-V228 PolarHBondContact O-N 3.47Å; V225-R229 WeakPolarHBondContact O-CB 3.4Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.27Å; V225-R229 PolarHBondContact O-N 3.35Å
226	N	96	Very high	96.1	Very high	82 Å²	82	51.6 Å²	51.6	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-38.9	176.9	-71.7	-20.4	0	0	0	111.7	N222 E223 E224 R229 N230	N222-N226 WeakPolarHBondContact O-CB 3.42Å; N222-N226 PolarHBondContact O-N 3.47Å; N222-N226 PolarHBondContact O-ND2 2.61Å; E223-N226 PolarHBondContact O-N 2.79Å; E224-N226 VanDerWaalsContact C-N 3.32Å; E224-N226 PolarHBondContact O-N 2.88Å; N226-R229 PolarHBondContact O-N 3.16Å; N226-N230 WeakPolarHBondContact O-CB 3.34Å; N226-N230 PolarHBondContact O-N 2.88Å; N226-N230 PolarHBondContact O-ND2 2.92Å
227	N	94.8	Very high	96.1	Very high	49 Å²	49	56.7 Å²	56.7	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-50.8	175.4	-174.8	-73	0	0	0	111.2	V130 E223 E224 R229 N230 I231	V130-N227 WeakPolarHBondContact CG2-ND2 3.13Å; E223-N227 WeakPolarHBondContact O-CB 3.45Å; E223-N227 PolarHBondContact O-N 3.19Å; E224-N227 WeakPolarHBondContact O-CB 3.34Å; E224-N227 PolarHBondContact O-N 3.05Å; N227-R229 PolarHBondContact O-N 2.99Å; N227-N230 PolarHBondContact O-N 3.27Å; N227-I231 WeakPolarHBondContact O-CG1 3.46Å; N227-I231 PolarHBondContact O-N 2.89Å
228	V	96.6	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-46.5	177.6	174.1	0	0	0	0	110.6	F147 K151 W180 Y183 E224 V225 N230 I231 V232	F147-V228 HydrophobicContact CE1-CG2 4.46Å; F147-V228 HydrophobicContact CZ-CG2 4.06Å; K151-V228 HydrophobicContact CD-CG2 4.16Å; K151-V228 HydrophobicContact CG-CG2 4.02Å; W180-V228 HydrophobicContact CE3-CG1 3.9Å; W180-V228 HydrophobicContact CZ3-CG1 4.31Å; Y183-V228 HydrophobicContact CD1-CB 3.83Å; Y183-V228 HydrophobicContact CD1-CG1 3.75Å; Y183-V228 HydrophobicContact CD1-CG2 3.93Å; Y183-V228 HydrophobicContact CD2-CG1 4.38Å; Y183-V228 HydrophobicContact CE1-CB 4.18Å; Y183-V228 HydrophobicContact CE1-CG1 4.35Å; Y183-V228 HydrophobicContact CE1-CG2 3.74Å; Y183-V228 HydrophobicContact CG-CB 4.37Å; Y183-V228 HydrophobicContact CG-CG1 3.77Å; E224-V228 HydrophobicContact CG-CG2 4.46Å; E224-V228 WeakPolarHBondContact O-CG2 3.5Å; E224-V228 PolarHBondContact O-N 3.07Å; V225-V228 PolarHBondContact O-N 3.47Å; V228-N230 PolarHBondContact O-N 3.04Å; V228-I231 PolarHBondContact O-N 3.41Å; V228-V232 HydrophobicContact CG1-CG2 4.22Å; V228-V232 WeakPolarHBondContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.23Å; V228-V232 PolarHBondContact O-N 3.04Å
229	R	95.7	Very high	96.1	Very high	112 Å²	112	55 Å²	55	42%	0.423	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-43.1	176.9	-75.5	176.5	178.2	163.1	3.2	112.9	V225 N226 N227 I231 V232 L233	V225-R229 WeakPolarHBondContact O-CB 3.4Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.27Å; V225-R229 PolarHBondContact O-N 3.35Å; N226-R229 PolarHBondContact O-N 3.16Å; N227-R229 PolarHBondContact O-N 2.99Å; R229-I231 VanDerWaalsContact C-N 3.32Å; R229-I231 PolarHBondContact O-N 3.18Å; R229-V232 WeakPolarHBondContact O-CB 3.49Å; R229-V232 PolarHBondContact O-N 2.9Å; R229-L233 WeakPolarHBondContact O-CG 3.37Å; R229-L233 PolarHBondContact O-N 3.36Å
230	N	96.4	Very high	96	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-41.3	177.3	-71.2	-17.2	0	0	0	111.3	N226 N227 V228 L233 L234	N226-N230 WeakPolarHBondContact O-CB 3.34Å; N226-N230 PolarHBondContact O-N 2.88Å; N226-N230 PolarHBondContact O-ND2 2.92Å; N227-N230 PolarHBondContact O-N 3.27Å; V228-N230 PolarHBondContact O-N 3.04Å; N230-L233 PolarHBondContact O-N 3.37Å; N230-L234 WeakPolarHBondContact O-CG 3.35Å; N230-L234 PolarHBondContact O-N 2.82Å
231	I	97.1	Very high	96	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-36.7	175.8	-64.9	-63.6	0	0	0	112	V130 P131 I136 L144 F147 F148 N227 V228 R229 L234 A235	V130-I231 HydrophobicContact CG1-CD1 3.44Å; V130-I231 VanDerWaalsContact CG1-CD1 3.44Å; V130-I231 HydrophobicContact CG1-CG1 3.62Å; P131-I231 WeakPolarHBondContact O-CD1 3.42Å; I136-I231 HydrophobicContact CD1-CD1 4.41Å; L144-I231 HydrophobicContact CD2-CG2 3.63Å; F147-I231 HydrophobicContact CD1-CG2 3.74Å; F147-I231 HydrophobicContact CE1-CB 3.81Å; F147-I231 HydrophobicContact CE1-CG1 4.24Å; F147-I231 HydrophobicContact CE1-CG2 3.51Å; F147-I231 HydrophobicContact CE2-CG1 4.4Å; F147-I231 HydrophobicContact CG-CG2 4.48Å; F147-I231 HydrophobicContact CZ-CB 3.97Å; F147-I231 HydrophobicContact CZ-CG1 3.92Å; F147-I231 HydrophobicContact CZ-CG2 4.07Å; F148-I231 HydrophobicContact CZ-CG2 4.42Å; N227-I231 WeakPolarHBondContact O-CG1 3.46Å; N227-I231 PolarHBondContact O-N 2.89Å; V228-I231 PolarHBondContact O-N 3.41Å; R229-I231 VanDerWaalsContact C-N 3.32Å; R229-I231 PolarHBondContact O-N 3.18Å; I231-L234 HydrophobicContact CD1-CD1 4.37Å; I231-L234 PolarHBondContact O-N 3.42Å; I231-A235 WeakPolarHBondContact O-CB 3.43Å; I231-A235 PolarHBondContact O-N 3.18Å
232	V	97.8	Very high	96.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-45.6	173.4	168.1	0	0	0	0	111.1	F148 Y177 W180 E181 V228 R229 A235 K236	F148-V232 HydrophobicContact CE1-CG2 3.79Å; F148-V232 HydrophobicContact CZ-CG2 3.92Å; Y177-V232 HydrophobicContact CD1-CG1 4.04Å; W180-V232 HydrophobicContact CB-CG2 3.58Å; E181-V232 HydrophobicContact CG-CG1 3.63Å; V228-V232 HydrophobicContact CG1-CG2 4.22Å; V228-V232 WeakPolarHBondContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.23Å; V228-V232 PolarHBondContact O-N 3.04Å; R229-V232 WeakPolarHBondContact O-CB 3.49Å; R229-V232 PolarHBondContact O-N 2.9Å; V232-A235 PolarHBondContact O-N 3.43Å; V232-K236 WeakPolarHBondContact O-CG 3.46Å; V232-K236 PolarHBondContact O-N 2.95Å
233	L	96.5	Very high	96	Very high	99 Å²	99	47.8 Å²	47.8	52%	0.518	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-49.3	176.1	-69.4	173	0	0	0	111.7	R229 N230 A235 K236 E237	R229-L233 WeakPolarHBondContact O-CG 3.37Å; R229-L233 PolarHBondContact O-N 3.36Å; N230-L233 PolarHBondContact O-N 3.37Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 2.75Å; L233-K236 PolarHBondContact O-N 3.03Å; L233-E237 PolarHBondContact O-N 2.95Å
234	L	96.1	Very high	96	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-38.9	177.2	-73.5	174.2	0	0	0	112.1	I133 I136 N230 I231 E237 N238	I133-L234 HydrophobicContact CD1-CD1 4.49Å; I133-L234 HydrophobicContact CD1-CD2 4.22Å; I133-L234 HydrophobicContact CG1-CD1 3.97Å; I133-L234 HydrophobicContact CG1-CD2 4.08Å; I136-L234 HydrophobicContact CD1-CB 4.2Å; N230-L234 WeakPolarHBondContact O-CG 3.35Å; N230-L234 PolarHBondContact O-N 2.82Å; I231-L234 HydrophobicContact CD1-CD1 4.37Å; I231-L234 PolarHBondContact O-N 3.42Å; L234-E237 PolarHBondContact O-N 2.87Å; L234-N238 PolarHBondContact O-N 3.04Å; L234-N238 PolarHBondContact O-ND2 2.81Å
235	A	96.9	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-48.8	175.6	0	0	0	0	0	110.7	F140 L144 Y177 I231 V232 L233 E237 N238 D239	F140-A235 HydrophobicContact CE2-CB 4.5Å; L144-A235 HydrophobicContact CD1-CB 3.51Å; L144-A235 HydrophobicContact CD2-CB 4.15Å; L144-A235 HydrophobicContact CG-CB 4.49Å; Y177-A235 HydrophobicContact CE1-CB 3.94Å; Y177-A235 VanDerWaalsContact OH-C 3.23Å; Y177-A235 PolarHBondContact OH-O 3.43Å; I231-A235 WeakPolarHBondContact O-CB 3.43Å; I231-A235 PolarHBondContact O-N 3.18Å; V232-A235 PolarHBondContact O-N 3.43Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 2.75Å; A235-E237 VanDerWaalsContact C-N 3.29Å; A235-E237 PolarHBondContact O-N 3.16Å; A235-N238 CarbonylContact O-C 3.6Å; A235-N238 PolarHBondContact O-N 3.19Å; A235-N238 VanDerWaalsContact O-N 3.15Å; A235-D239 WeakPolarHBondContact O-CB 3.49Å; A235-D239 PolarHBondContact O-N 2.92Å
236	K	95.6	Very high	96	Very high	48 Å²	48	50.8 Å²	50.8	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-42.9	177.1	-78.1	-171.9	172.5	-164.5	0	112.4	Y177 E181 V232 L233 N238	Y177-K236 HydrophobicContact CD1-CD 4.08Å; Y177-K236 VanDerWaalsContact CD1-CE 3.5Å; Y177-K236 HydrophobicContact CD1-CG 3.34Å; Y177-K236 HydrophobicContact CD2-CG 3.96Å; Y177-K236 HydrophobicContact CE1-CB 4.31Å; Y177-K236 HydrophobicContact CE1-CG 3.4Å; Y177-K236 VanDerWaalsContact CE1-CG 3.4Å; Y177-K236 HydrophobicContact CE2-CG 4.03Å; Y177-K236 HydrophobicContact CG-CD 4.15Å; Y177-K236 HydrophobicContact CG-CG 3.64Å; Y177-K236 PolarHBondContact OH-N 3.32Å; E181-K236 VanDerWaalsContact OE1-CE 3.24Å; E181-K236 WeakPolarHBondContact OE1-CE 3.44Å; E181-K236 IonicContact OE1-NZ 3.72Å; E181-K236 PolarHBondContact OE1-NZ 2.98Å; E181-K236 IonicContact OE2-NZ 3.27Å; E181-K236 PolarHBondContact OE2-NZ 3.41Å; V232-K236 WeakPolarHBondContact O-CG 3.46Å; V232-K236 PolarHBondContact O-N 2.95Å; L233-K236 PolarHBondContact O-N 3.03Å; K236-N238 VanDerWaalsContact C-N 3.28Å; K236-N238 PolarHBondContact O-N 3.34Å
237	E	96.1	Very high	96	Very high	134 Å²	134	53.1 Å²	53.1	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-67.5	-29.6	-178.9	-172.2	177.8	-175.5	0	0	112.6	L233 L234 A235	L233-E237 PolarHBondContact O-N 2.95Å; L234-E237 PolarHBondContact O-N 2.87Å; A235-E237 VanDerWaalsContact C-N 3.29Å; A235-E237 PolarHBondContact O-N 3.16Å
238	N	95.8	Very high	96	Very high	31 Å²	31	53.6 Å²	53.6	17%	0.166	29%	0.288	C	S	.	.	H	α-helix	trans	-109.9	4.7	-175.2	-64.5	-88.2	0	0	0	113.8	I136 K137 L234 A235 K236 P240	I136-N238 HydrophobicContact CG2-CB 4.04Å; K137-N238 WeakPolarHBondContact CE-OD1 3.39Å; L234-N238 PolarHBondContact O-N 3.04Å; L234-N238 PolarHBondContact O-ND2 2.81Å; A235-N238 CarbonylContact O-C 3.6Å; A235-N238 PolarHBondContact O-N 3.19Å; A235-N238 VanDerWaalsContact O-N 3.15Å; K236-N238 VanDerWaalsContact C-N 3.28Å; K236-N238 PolarHBondContact O-N 3.34Å; N238-P240 WeakPolarHBondContact O-CD 3.45Å
239	D	97.2	Very high	96	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.			trans	-67.9	119.2	-178.6	-170.4	-51.4	0	0	0	110.7	F140 Y177 A235 R241 I242 L243	F140-D239 HydrophobicContact CE1-CB 4.25Å; F140-D239 WeakPolarHBondContact CE1-OD2 3.08Å; F140-D239 VanDerWaalsContact CE2-CA 3.49Å; F140-D239 HydrophobicContact CE2-CB 3.98Å; F140-D239 VanDerWaalsContact CZ-CA 3.48Å; F140-D239 HydrophobicContact CZ-CB 3.5Å; F140-D239 VanDerWaalsContact CZ-CG 3.48Å; F140-D239 WeakPolarHBondContact CZ-OD2 3.49Å; Y177-D239 HydrophobicContact CE2-CB 4.47Å; Y177-D239 PolarHBondContact OH-OD2 3.1Å; A235-D239 WeakPolarHBondContact O-CB 3.49Å; A235-D239 PolarHBondContact O-N 2.92Å; D239-R241 PolarHBondContact O-N 2.89Å; D239-R241 VanDerWaalsContact O-N 3.15Å; D239-R241 WeakPolarHBondContact OD1-CA 3.32Å; D239-R241 VanDerWaalsContact OD1-CB 3.23Å; D239-R241 WeakPolarHBondContact OD1-CB 3.27Å; D239-R241 IonicContact OD1-CZ 3.16Å; D239-R241 PolarHBondContact OD1-N 2.93Å; D239-R241 IonicContact OD1-NE 2.76Å; D239-R241 PolarHBondContact OD1-NE 2.85Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.48Å; D239-R241 IonicContact OD2-CZ 3.78Å; D239-R241 IonicContact OD2-NE 2.82Å; D239-R241 PolarHBondContact OD2-NE 3.1Å; D239-R241 IonicContact OD2-NH2 3.73Å; D239-R241 PolarHBondContact OD2-NH2 2.79Å; D239-I242 HydrophobicContact CB-CB 4.11Å; D239-I242 HydrophobicContact CB-CD1 4.07Å; D239-I242 HydrophobicContact CB-CG1 4.08Å; D239-I242 PolarHBondContact O-N 3.16Å; D239-L243 WeakPolarHBondContact O-CB 3.33Å; D239-L243 VanDerWaalsContact O-CG 3.27Å; D239-L243 WeakPolarHBondContact O-CG 3.01Å; D239-L243 PolarHBondContact O-N 3.41Å
240	P	95.6	Very high	96.1	Very high	51 Å²	51	59.9 Å²	59.9	33%	0.331	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-34	-179	-26.4	35	0	0	0	113.8	F140 N238 A244	F140-P240 HydrophobicContact CD1-CG 4.48Å; F140-P240 HydrophobicContact CG-CG 4.43Å; N238-P240 WeakPolarHBondContact O-CD 3.45Å; P240-A244 VanDerWaalsContact O-CB 3.23Å; P240-A244 WeakPolarHBondContact O-CB 3.29Å; P240-A244 PolarHBondContact O-N 3.35Å
241	R	96	Very high	96.1	Very high	17 Å²	17	59.2 Å²	59.2	6%	0.064	32%	0.32	C	S	.	.	H	α-helix	trans	-74.1	-44.6	-177.4	-57.7	165.9	-68.3	-171.8	7.8	110.8	L163 N165 D239 A244 A245	L163-R241 PolarHBondContact O-NH1 3.37Å; L163-R241 PolarHBondContact O-NH2 2.79Å; N165-R241 WeakPolarHBondContact O-CD 3.3Å; N165-R241 PolarHBondContact O-NH1 2.77Å; D239-R241 PolarHBondContact O-N 2.89Å; D239-R241 VanDerWaalsContact O-N 3.15Å; D239-R241 WeakPolarHBondContact OD1-CA 3.32Å; D239-R241 VanDerWaalsContact OD1-CB 3.23Å; D239-R241 WeakPolarHBondContact OD1-CB 3.27Å; D239-R241 IonicContact OD1-CZ 3.16Å; D239-R241 PolarHBondContact OD1-N 2.93Å; D239-R241 IonicContact OD1-NE 2.76Å; D239-R241 PolarHBondContact OD1-NE 2.85Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.48Å; D239-R241 IonicContact OD2-CZ 3.78Å; D239-R241 IonicContact OD2-NE 2.82Å; D239-R241 PolarHBondContact OD2-NE 3.1Å; D239-R241 IonicContact OD2-NH2 3.73Å; D239-R241 PolarHBondContact OD2-NH2 2.79Å; R241-A244 PolarHBondContact O-N 3.41Å; R241-A245 WeakPolarHBondContact O-CB 3.47Å; R241-A245 PolarHBondContact O-N 3.1Å
242	I	96.1	Very high	96.1	Very high	26 Å²	26	61.9 Å²	61.9	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-43.9	175.4	-65.8	179.6	0	0	0	110.2	I170 V173 Y177 D239 A244 A245 N246	I170-I242 HydrophobicContact CD1-CG1 4.09Å; V173-I242 HydrophobicContact CG1-CD1 4.29Å; V173-I242 HydrophobicContact CG1-CG1 4.22Å; Y177-I242 HydrophobicContact CD2-CD1 3.83Å; Y177-I242 HydrophobicContact CE2-CD1 3.46Å; Y177-I242 VanDerWaalsContact CE2-CD1 3.46Å; D239-I242 HydrophobicContact CB-CB 4.11Å; D239-I242 HydrophobicContact CB-CD1 4.07Å; D239-I242 HydrophobicContact CB-CG1 4.08Å; D239-I242 PolarHBondContact O-N 3.16Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 PolarHBondContact O-N 2.88Å; I242-A245 PolarHBondContact O-N 3.25Å; I242-N246 WeakPolarHBondContact CG2-ND2 3.41Å; I242-N246 WeakPolarHBondContact O-CB 3.34Å; I242-N246 VanDerWaalsContact O-CG 3.26Å; I242-N246 PolarHBondContact O-N 3.33Å; I242-N246 PolarHBondContact O-ND2 3.07Å
243	L	95.3	Very high	96.1	Very high	88 Å²	88	68 Å²	68	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.8	-69.1	175.4	0	0	0	111.7	D239 N246 K247	D239-L243 WeakPolarHBondContact O-CB 3.33Å; D239-L243 VanDerWaalsContact O-CG 3.27Å; D239-L243 WeakPolarHBondContact O-CG 3.01Å; D239-L243 PolarHBondContact O-N 3.41Å; L243-N246 PolarHBondContact O-N 3.44Å; L243-K247 WeakPolarHBondContact O-CB 3.38Å; L243-K247 PolarHBondContact O-N 2.86Å
244	A	94.9	Very high	96	Very high	59 Å²	59	67.1 Å²	67.1	49%	0.488	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-44.6	175.2	0	0	0	0	0	112.2	P240 R241 I242 K247 A248	P240-A244 VanDerWaalsContact O-CB 3.23Å; P240-A244 WeakPolarHBondContact O-CB 3.29Å; P240-A244 PolarHBondContact O-N 3.35Å; R241-A244 PolarHBondContact O-N 3.41Å; I242-A244 VanDerWaalsContact C-N 3.35Å; I242-A244 PolarHBondContact O-N 2.88Å; A244-K247 PolarHBondContact O-N 3.49Å; A244-A248 WeakPolarHBondContact O-CB 3.34Å; A244-A248 PolarHBondContact O-N 3.15Å
245	A	95	Very high	96.1	Very high	41 Å²	41	67.4 Å²	67.4	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-45	176.9	0	0	0	0	0	111.8	I170 R241 I242 K247 A248 A249	I170-A245 HydrophobicContact CD1-CB 4.24Å; I170-A245 HydrophobicContact CG1-CB 4.42Å; R241-A245 WeakPolarHBondContact O-CB 3.47Å; R241-A245 PolarHBondContact O-N 3.1Å; I242-A245 PolarHBondContact O-N 3.25Å; A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.35Å; A245-A248 PolarHBondContact O-N 3.19Å; A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 2.89Å
246	N	95.5	Very high	96.1	Very high	79 Å²	79	75.4 Å²	75.4	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-40.2	176.4	-75.8	-25.6	0	0	0	112.1	I242 L243 R250	I242-N246 WeakPolarHBondContact CG2-ND2 3.41Å; I242-N246 WeakPolarHBondContact O-CB 3.34Å; I242-N246 VanDerWaalsContact O-CG 3.26Å; I242-N246 PolarHBondContact O-N 3.33Å; I242-N246 PolarHBondContact O-ND2 3.07Å; L243-N246 PolarHBondContact O-N 3.44Å; N246-R250 WeakPolarHBondContact O-CG 3.44Å; N246-R250 PolarHBondContact O-N 2.95Å; N246-R250 VanDerWaalsContact O-N 3.09Å
247	K	95.9	Very high	96.2	Very high	132 Å²	132	80.1 Å²	80.1	57%	0.574	42%	0.424	S	S	*	.	H	α-helix	trans	-64.2	-49.9	174.7	-176.8	-178	175	-173.1	0	111.1	L243 A244 A245 A249 R250 D251	L243-K247 WeakPolarHBondContact O-CB 3.38Å; L243-K247 PolarHBondContact O-N 2.86Å; A244-K247 PolarHBondContact O-N 3.49Å; A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.35Å; K247-A249 VanDerWaalsContact C-N 3.27Å; K247-A249 PolarHBondContact O-N 2.92Å; K247-R250 PolarHBondContact O-N 2.97Å; K247-R250 VanDerWaalsContact O-N 3.08Å; K247-D251 VanDerWaalsContact O-CG 3.29Å; K247-D251 PolarHBondContact O-N 3.2Å
248	A	95	Very high	96.2	Very high	59 Å²	59	79 Å²	79	49%	0.488	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-39.4	178	0	0	0	0	0	112.2	A244 A245 D251 A252	A244-A248 WeakPolarHBondContact O-CB 3.34Å; A244-A248 PolarHBondContact O-N 3.15Å; A245-A248 PolarHBondContact O-N 3.19Å; A248-D251 PolarHBondContact O-N 3.17Å; A248-A252 VanDerWaalsContact O-CB 3.24Å; A248-A252 WeakPolarHBondContact O-CB 3.5Å; A248-A252 PolarHBondContact O-N 3.44Å
249	A	96.4	Very high	96.2	Very high	60 Å²	60	80.4 Å²	80.4	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-40.5	175.5	0	0	0	0	0	112.7	A245 K247 K253	A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 2.89Å; K247-A249 VanDerWaalsContact C-N 3.27Å; K247-A249 PolarHBondContact O-N 2.92Å; A249-K253 WeakPolarHBondContact O-CB 3.42Å; A249-K253 PolarHBondContact O-N 3Å
250	R	97.5	Very high	96.2	Very high	183 Å²	183	89.6 Å²	89.6	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-65.8	-47.7	175.2	-72.5	174.9	-171.7	167.7	3.8	111.3	N246 K247 A252 K253 E254	N246-R250 WeakPolarHBondContact O-CG 3.44Å; N246-R250 PolarHBondContact O-N 2.95Å; N246-R250 VanDerWaalsContact O-N 3.09Å; K247-R250 PolarHBondContact O-N 2.97Å; K247-R250 VanDerWaalsContact O-N 3.08Å; R250-A252 VanDerWaalsContact C-N 3.33Å; R250-A252 PolarHBondContact O-N 2.71Å; R250-K253 PolarHBondContact O-N 3.36Å; R250-E254 PolarHBondContact O-N 3.41Å
251	D	96.3	Very high	96.2	Very high	82 Å²	82	92.7 Å²	92.7	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-41	179.8	-65.3	-14.6	0	0	0	110.8	K247 A248 E254 A255	K247-D251 VanDerWaalsContact O-CG 3.29Å; K247-D251 PolarHBondContact O-N 3.2Å; A248-D251 PolarHBondContact O-N 3.17Å; D251-E254 PolarHBondContact O-N 2.95Å; D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.48Å; D251-A255 PolarHBondContact O-N 3.45Å
252	A	96.9	Very high	96.2	Very high	62 Å²	62	94.8 Å²	94.8	51%	0.512	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-41.1	174.9	0	0	0	0	0	112.6	A248 R250 K256	A248-A252 VanDerWaalsContact O-CB 3.24Å; A248-A252 WeakPolarHBondContact O-CB 3.5Å; A248-A252 PolarHBondContact O-N 3.44Å; R250-A252 VanDerWaalsContact C-N 3.33Å; R250-A252 PolarHBondContact O-N 2.71Å; A252-K256 WeakPolarHBondContact O-CB 3.49Å; A252-K256 PolarHBondContact O-N 3.14Å
253	K	97	Very high	96.3	Very high	130 Å²	130	96.4 Å²	96.4	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-42.7	176.1	-174.5	-179	178.9	-174	0	111.3	A249 R250 K256 R257	A249-K253 WeakPolarHBondContact O-CB 3.42Å; A249-K253 PolarHBondContact O-N 3Å; R250-K253 PolarHBondContact O-N 3.36Å; K253-K256 PolarHBondContact O-N 3.42Å; K253-R257 PolarHBondContact O-N 3.35Å
254	E	95.3	Very high	96.3	Very high	81 Å²	81	96.5 Å²	96.5	38%	0.379	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-45.1	176.7	174.8	148	-140.2	0	0	112	R250 D251 K256 R257 Q258	R250-E254 PolarHBondContact O-N 3.41Å; D251-E254 PolarHBondContact O-N 2.95Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.25Å; E254-R257 CarbonylContact O-C 3.37Å; E254-R257 WeakPolarHBondContact O-CA 3.41Å; E254-R257 WeakPolarHBondContact O-CB 3.38Å; E254-R257 PolarHBondContact O-N 3Å; E254-R257 IonicContact OE1-NH2 3.37Å; E254-R257 PolarHBondContact OE1-NH2 3.08Å; E254-Q258 HydrophobicContact CG-CG 4.18Å; E254-Q258 WeakPolarHBondContact O-CG 3.41Å; E254-Q258 PolarHBondContact O-N 2.97Å; E254-Q258 PolarHBondContact OE1-NE2 3.5Å
255	A	97.2	Very high	96.3	Very high	53 Å²	53	97.9 Å²	97.9	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-57.9	-41.8	175.2	0	0	0	0	0	111.6	D251 R257 Q258 A259	D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.48Å; D251-A255 PolarHBondContact O-N 3.45Å; A255-R257 PolarHBondContact O-N 3.43Å; A255-Q258 PolarHBondContact O-N 3.21Å; A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.05Å
256	K	97.5	Very high	96.4	Very high	168 Å²	168	102.8 Å²	102.8	73%	0.73	54%	0.535	S	S	*	.	H	α-helix	trans	-63.1	-39.9	174.2	-172.6	174.6	-177.4	174.9	0	112.3	A252 K253 E254 R260	A252-K256 WeakPolarHBondContact O-CB 3.49Å; A252-K256 PolarHBondContact O-N 3.14Å; K253-K256 PolarHBondContact O-N 3.42Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.25Å; K256-R260 WeakPolarHBondContact O-CB 3.41Å; K256-R260 PolarHBondContact O-N 3.47Å
257	R	97.1	Very high	96.5	Very high	147 Å²	147	107 Å²	107	56%	0.555	55%	0.545	S	S	*	.	H	α-helix	trans	-65	-48	175.7	-177.5	-179.5	68.8	-170.8	-1	111.1	K253 E254 A255 R260 L261	K253-R257 PolarHBondContact O-N 3.35Å; E254-R257 CarbonylContact O-C 3.37Å; E254-R257 WeakPolarHBondContact O-CA 3.41Å; E254-R257 WeakPolarHBondContact O-CB 3.38Å; E254-R257 PolarHBondContact O-N 3Å; E254-R257 IonicContact OE1-NH2 3.37Å; E254-R257 PolarHBondContact OE1-NH2 3.08Å; A255-R257 PolarHBondContact O-N 3.43Å; R257-R260 PolarHBondContact O-N 3.27Å; R257-L261 HydrophobicContact CG-CD1 4.32Å; R257-L261 WeakPolarHBondContact O-CG 3.49Å; R257-L261 PolarHBondContact O-N 3.27Å
258	Q	95.7	Very high	96.5	Very high	109 Å²	109	107.4 Å²	107.4	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-43.3	179.4	-69.2	179.5	5.1	0	0	111.4	E254 A255 R260 L261 A262	E254-Q258 HydrophobicContact CG-CG 4.18Å; E254-Q258 WeakPolarHBondContact O-CG 3.41Å; E254-Q258 PolarHBondContact O-N 2.97Å; E254-Q258 PolarHBondContact OE1-NE2 3.5Å; A255-Q258 PolarHBondContact O-N 3.21Å; Q258-R260 VanDerWaalsContact C-N 3.33Å; Q258-R260 PolarHBondContact O-N 3.47Å; Q258-L261 PolarHBondContact O-N 2.99Å; Q258-A262 WeakPolarHBondContact O-CB 3.48Å; Q258-A262 PolarHBondContact O-N 3.07Å
259	A	97.1	Very high	96.5	Very high	62 Å²	62	109.3 Å²	109.3	51%	0.512	54%	0.542	S	S	.	.	H	α-helix	trans	-60.9	-39.8	175	0	0	0	0	0	112.3	A255 A263	A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.05Å; A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.42Å; A259-A263 PolarHBondContact O-N 3.45Å
260	R	96.9	Very high	96.5	Very high	192 Å²	192	112.5 Å²	112.5	73%	0.725	55%	0.548	S	S	*	.	H	α-helix	trans	-64.7	-44.3	174.8	-176.6	179.3	175.2	-172.3	-1.3	111.8	K256 R257 Q258 A263 V264	K256-R260 WeakPolarHBondContact O-CB 3.41Å; K256-R260 PolarHBondContact O-N 3.47Å; R257-R260 PolarHBondContact O-N 3.27Å; Q258-R260 VanDerWaalsContact C-N 3.33Å; Q258-R260 PolarHBondContact O-N 3.47Å; R260-A263 PolarHBondContact O-N 2.92Å; R260-V264 VanDerWaalsContact O-CG2 3.32Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.2Å
261	L	96.3	Very high	96.3	Very high	116 Å²	116	107.5 Å²	107.5	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-64.7	-44.5	177.7	-69.8	173.8	0	0	0	111.5	R257 Q258 A263 V264 Q265	R257-L261 HydrophobicContact CG-CD1 4.32Å; R257-L261 WeakPolarHBondContact O-CG 3.49Å; R257-L261 PolarHBondContact O-N 3.27Å; Q258-L261 PolarHBondContact O-N 2.99Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 3.42Å; L261-V264 PolarHBondContact O-N 2.97Å; L261-Q265 WeakPolarHBondContact O-CB 3.37Å; L261-Q265 PolarHBondContact O-N 3.49Å
262	A	96.3	Very high	96.3	Very high	61 Å²	61	107.2 Å²	107.2	50%	0.504	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-40.7	176	0	0	0	0	0	112.1	Q258 Q265 K266	Q258-A262 WeakPolarHBondContact O-CB 3.48Å; Q258-A262 PolarHBondContact O-N 3.07Å; A262-Q265 PolarHBondContact O-N 3.26Å; A262-K266 VanDerWaalsContact O-CB 3.27Å; A262-K266 WeakPolarHBondContact O-CB 3.23Å; A262-K266 PolarHBondContact O-N 3.49Å
263	A	97	Very high	96.2	Very high	61 Å²	61	107.9 Å²	107.9	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-40.5	175.8	0	0	0	0	0	112.5	A259 R260 L261 R267	A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.42Å; A259-A263 PolarHBondContact O-N 3.45Å; R260-A263 PolarHBondContact O-N 2.92Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 3.42Å; A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.29Å
264	V	96.3	Very high	96.1	Very high	90 Å²	90	106.9 Å²	106.9	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-66	-44.7	175.6	170.4	0	0	0	0	111.1	R260 L261 R267 R268	R260-V264 VanDerWaalsContact O-CG2 3.32Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.2Å; L261-V264 PolarHBondContact O-N 2.97Å; V264-R267 PolarHBondContact O-N 3.43Å; V264-R268 PolarHBondContact O-N 2.92Å
265	Q	95.1	Very high	96.1	Very high	88 Å²	88	110 Å²	110	41%	0.411	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-48.3	178.2	-179.8	59.9	19	0	0	111.4	L261 A262 R267 R268 E269	L261-Q265 WeakPolarHBondContact O-CB 3.37Å; L261-Q265 PolarHBondContact O-N 3.49Å; A262-Q265 PolarHBondContact O-N 3.26Å; Q265-R267 VanDerWaalsContact C-N 3.28Å; Q265-R267 PolarHBondContact O-N 2.92Å; Q265-R268 WeakPolarHBondContact O-CB 3.45Å; Q265-R268 PolarHBondContact O-N 3.48Å; Q265-R268 VanDerWaalsContact O-N 3.1Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.33Å; Q265-E269 PolarHBondContact NE2-OE1 3.46Å; Q265-E269 WeakPolarHBondContact O-CG 3.49Å; Q265-E269 PolarHBondContact O-N 2.81Å
266	K	96.7	Very high	96	Very high	143 Å²	143	114.1 Å²	114.1	62%	0.622	53%	0.534	S	S	*	.	H	α-helix	trans	-58.4	-40.4	175.4	-174.4	175.6	-177.3	176.8	0	111.7	A262 E269 M270	A262-K266 VanDerWaalsContact O-CB 3.27Å; A262-K266 WeakPolarHBondContact O-CB 3.23Å; A262-K266 PolarHBondContact O-N 3.49Å; K266-E269 PolarHBondContact O-N 3.32Å; K266-M270 WeakPolarHBondContact O-CB 3.44Å; K266-M270 WeakPolarHBondContact O-CG 3.48Å; K266-M270 PolarHBondContact O-N 3.43Å
267	R	96.4	Very high	95.9	Very high	167 Å²	167	113.7 Å²	113.7	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-43.2	175.6	-178.8	173.6	172.6	-127	-12.6	111.9	A263 V264 Q265 M270 E271	A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.29Å; V264-R267 PolarHBondContact O-N 3.43Å; Q265-R267 VanDerWaalsContact C-N 3.28Å; Q265-R267 PolarHBondContact O-N 2.92Å; R267-M270 PolarHBondContact O-N 2.87Å; R267-E271 IonicContact CZ-OE1 2.66Å; R267-E271 IonicContact NE-OE1 3.41Å; R267-E271 PolarHBondContact NE-OE1 3.31Å; R267-E271 IonicContact NH2-OE1 3.58Å; R267-E271 PolarHBondContact NH2-OE1 3.18Å; R267-E271 WeakPolarHBondContact O-CG 3.36Å; R267-E271 PolarHBondContact O-N 3.41Å
268	R	96.1	Very high	95.8	Very high	141 Å²	141	111.8 Å²	111.8	53%	0.532	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-44.2	177	-179.9	-179.1	172.1	-179.9	-1.4	112	V264 Q265 M270 E271 E272	V264-R268 PolarHBondContact O-N 2.92Å; Q265-R268 WeakPolarHBondContact O-CB 3.45Å; Q265-R268 PolarHBondContact O-N 3.48Å; Q265-R268 VanDerWaalsContact O-N 3.1Å; R268-M270 VanDerWaalsContact C-N 3.32Å; R268-M270 PolarHBondContact O-N 2.89Å; R268-E271 PolarHBondContact O-N 3.01Å; R268-E272 HydrophobicContact CG-CG 4.44Å; R268-E272 IonicContact CZ-OE1 2.65Å; R268-E272 IonicContact NE-OE1 3.83Å; R268-E272 PolarHBondContact NE-OE1 3.18Å; R268-E272 IonicContact NH2-OE1 3.99Å; R268-E272 PolarHBondContact NH2-OE1 2.87Å; R268-E272 VanDerWaalsContact NH2-OE1 3.17Å; R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 WeakPolarHBondContact O-CG 3.42Å; R268-E272 PolarHBondContact O-N 3.31Å
269	E	95.7	Very high	95.7	Very high	100 Å²	100	109.3 Å²	109.3	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-42.2	176.5	-72.8	167.9	-174.1	0	0	111.4	Q265 K266 E272 E273	Q265-E269 WeakPolarHBondContact CG-OE1 3.33Å; Q265-E269 PolarHBondContact NE2-OE1 3.46Å; Q265-E269 WeakPolarHBondContact O-CG 3.49Å; Q265-E269 PolarHBondContact O-N 2.81Å; K266-E269 PolarHBondContact O-N 3.32Å; E269-E272 PolarHBondContact O-N 3.27Å; E269-E273 VanDerWaalsContact O-CB 3.3Å; E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 PolarHBondContact O-N 3.11Å
270	M	95.5	Very high	95.6	Very high	127 Å²	127	112.8 Å²	112.8	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-42.2	174.5	-69.6	-67.9	-60	0	0	112.2	K266 R267 R268 Q274	K266-M270 WeakPolarHBondContact O-CB 3.44Å; K266-M270 WeakPolarHBondContact O-CG 3.48Å; K266-M270 PolarHBondContact O-N 3.43Å; R267-M270 PolarHBondContact O-N 2.87Å; R268-M270 VanDerWaalsContact C-N 3.32Å; R268-M270 PolarHBondContact O-N 2.89Å; M270-Q274 VanDerWaalsContact O-CB 3.28Å; M270-Q274 WeakPolarHBondContact O-CB 3.29Å; M270-Q274 PolarHBondContact O-N 3.3Å
271	E	94.7	Very high	95.5	Very high	77 Å²	77	106.6 Å²	106.6	36%	0.36	52%	0.519	S	S	.	.	H	α-helix	trans	-69.2	-36.1	176.9	-73.3	175.3	-178.4	0	0	112.4	R267 R268 R275	R267-E271 IonicContact CZ-OE1 2.66Å; R267-E271 IonicContact NE-OE1 3.41Å; R267-E271 PolarHBondContact NE-OE1 3.31Å; R267-E271 IonicContact NH2-OE1 3.58Å; R267-E271 PolarHBondContact NH2-OE1 3.18Å; R267-E271 WeakPolarHBondContact O-CG 3.36Å; R267-E271 PolarHBondContact O-N 3.41Å; R268-E271 PolarHBondContact O-N 3.01Å; E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.33Å; E271-R275 PolarHBondContact O-N 2.91Å; E271-R275 PolarHBondContact O-NE 3.48Å
272	E	94.5	Very high	95.4	Very high	77 Å²	77	103.3 Å²	103.3	36%	0.36	51%	0.509	S	S	.	.	H	α-helix	trans	-67.6	-44.9	173.9	-77.3	176.1	-174.6	0	0	111.8	R268 E269 R275 K276	R268-E272 HydrophobicContact CG-CG 4.44Å; R268-E272 IonicContact CZ-OE1 2.65Å; R268-E272 IonicContact NE-OE1 3.83Å; R268-E272 PolarHBondContact NE-OE1 3.18Å; R268-E272 IonicContact NH2-OE1 3.99Å; R268-E272 PolarHBondContact NH2-OE1 2.87Å; R268-E272 VanDerWaalsContact NH2-OE1 3.17Å; R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 WeakPolarHBondContact O-CG 3.42Å; R268-E272 PolarHBondContact O-N 3.31Å; E269-E272 PolarHBondContact O-N 3.27Å; E272-R275 PolarHBondContact O-N 3.15Å; E272-K276 WeakPolarHBondContact O-CB 3.42Å; E272-K276 PolarHBondContact O-N 2.93Å
273	E	95.6	Very high	95.4	Very high	75 Å²	75	102.5 Å²	102.5	35%	0.35	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-40.7	175.4	179.4	61.3	-167.3	0	0	111.5	E269 K276 R277	E269-E273 VanDerWaalsContact O-CB 3.3Å; E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 PolarHBondContact O-N 3.11Å; E273-K276 PolarHBondContact O-N 3.32Å; E273-R277 WeakPolarHBondContact O-CG 3.37Å; E273-R277 PolarHBondContact O-N 3.32Å; E273-R277 IonicContact OE1-CZ 2.77Å; E273-R277 VanDerWaalsContact OE1-CZ 3.27Å; E273-R277 IonicContact OE1-NE 3.51Å; E273-R277 PolarHBondContact OE1-NE 3.47Å; E273-R277 IonicContact OE1-NH2 2.72Å; E273-R277 PolarHBondContact OE1-NH2 3.29Å
274	Q	95.4	Very high	95.2	Very high	110 Å²	110	105.7 Å²	105.7	51%	0.514	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-47.3	173.8	-176.6	178.6	-16.2	0	0	111.5	M270 K276 R277 E278	M270-Q274 VanDerWaalsContact O-CB 3.28Å; M270-Q274 WeakPolarHBondContact O-CB 3.29Å; M270-Q274 PolarHBondContact O-N 3.3Å; Q274-K276 VanDerWaalsContact C-N 3.28Å; Q274-K276 PolarHBondContact O-N 3.47Å; Q274-R277 PolarHBondContact O-N 3.24Å; Q274-E278 HydrophobicContact CG-CG 4.44Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.3Å; Q274-E278 PolarHBondContact NE2-OE1 3.47Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 3.38Å
275	R	95.1	Very high	95.2	Very high	147 Å²	147	104.3 Å²	104.3	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-60	-38.3	176.5	-78.2	-175	-65.5	-172.9	2.2	112.3	E271 E272 A279	E271-R275 WeakPolarHBondContact O-CB 3.23Å; E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.33Å; E271-R275 PolarHBondContact O-N 2.91Å; E271-R275 PolarHBondContact O-NE 3.48Å; E272-R275 PolarHBondContact O-N 3.15Å; R275-A279 VanDerWaalsContact O-CB 3.29Å; R275-A279 WeakPolarHBondContact O-CB 3.32Å; R275-A279 PolarHBondContact O-N 3.27Å
276	K	95.2	Very high	95.1	Very high	138 Å²	138	108.3 Å²	108.3	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-46.8	176	-173.1	-176.9	175.6	-170.3	0	111.4	E272 E273 Q274 A279 E280	E272-K276 WeakPolarHBondContact O-CB 3.42Å; E272-K276 PolarHBondContact O-N 2.93Å; E273-K276 PolarHBondContact O-N 3.32Å; Q274-K276 VanDerWaalsContact C-N 3.28Å; Q274-K276 PolarHBondContact O-N 3.47Å; K276-A279 PolarHBondContact O-N 3.2Å; K276-E280 WeakPolarHBondContact O-CB 3.32Å; K276-E280 PolarHBondContact O-N 3.07Å
277	R	95.8	Very high	94.9	Very high	160 Å²	160	104.3 Å²	104.3	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-42.7	176.8	-69.7	174.3	-170.8	-176.3	3.2	112.3	E273 Q274 E280 A281	E273-R277 WeakPolarHBondContact O-CG 3.37Å; E273-R277 PolarHBondContact O-N 3.32Å; E273-R277 IonicContact OE1-CZ 2.77Å; E273-R277 VanDerWaalsContact OE1-CZ 3.27Å; E273-R277 IonicContact OE1-NE 3.51Å; E273-R277 PolarHBondContact OE1-NE 3.47Å; E273-R277 IonicContact OE1-NH2 2.72Å; E273-R277 PolarHBondContact OE1-NH2 3.29Å; Q274-R277 PolarHBondContact O-N 3.24Å; R277-E280 PolarHBondContact O-N 3.19Å; R277-A281 WeakPolarHBondContact O-CB 3.3Å; R277-A281 PolarHBondContact O-N 3.46Å
278	E	94.1	Very high	94.9	Very high	106 Å²	106	98.5 Å²	98.5	50%	0.495	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-40.9	176.5	-72.8	174.9	-172.9	0	0	112	Q274 A281 A282	Q274-E278 HydrophobicContact CG-CG 4.44Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.3Å; Q274-E278 PolarHBondContact NE2-OE1 3.47Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 3.38Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-A282 WeakPolarHBondContact O-CB 3.3Å; E278-A282 PolarHBondContact O-N 3.39Å
279	A	94.7	Very high	94.7	Very high	58 Å²	58	95 Å²	95	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-41.1	176.9	0	0	0	0	0	112.6	R275 K276 A282 A283	R275-A279 VanDerWaalsContact O-CB 3.29Å; R275-A279 WeakPolarHBondContact O-CB 3.32Å; R275-A279 PolarHBondContact O-N 3.27Å; K276-A279 PolarHBondContact O-N 3.2Å; A279-A282 PolarHBondContact O-N 2.92Å; A279-A283 WeakPolarHBondContact O-CB 3.4Å; A279-A283 PolarHBondContact O-N 3.34Å
280	E	93.9	Very high	94.4	Very high	135 Å²	135	93 Å²	93	63%	0.631	49%	0.489	S	S	*	.	H	α-helix	trans	-64.2	-46.4	175.5	-173.9	176.4	176.8	0	0	111.3	K276 R277 A282 A283 L284	K276-E280 WeakPolarHBondContact O-CB 3.32Å; K276-E280 PolarHBondContact O-N 3.07Å; R277-E280 PolarHBondContact O-N 3.19Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.14Å; E280-A283 PolarHBondContact O-N 3.28Å; E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 PolarHBondContact O-N 3.18Å
281	A	95.3	Very high	94.3	Very high	61 Å²	61	92.3 Å²	92.3	50%	0.504	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-41.3	175.1	0	0	0	0	0	112.1	R277 E278 L284 A285	R277-A281 WeakPolarHBondContact O-CB 3.3Å; R277-A281 PolarHBondContact O-N 3.46Å; E278-A281 PolarHBondContact O-N 2.9Å; A281-L284 PolarHBondContact O-N 2.82Å; A281-A285 WeakPolarHBondContact O-CB 3.44Å; A281-A285 PolarHBondContact O-N 3.29Å
282	A	94.8	Very high	94.2	Very high	47 Å²	47	97.7 Å²	97.7	39%	0.388	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-33.5	176.3	0	0	0	0	0	113.1	E278 A279 E280 R286	E278-A282 WeakPolarHBondContact O-CB 3.3Å; E278-A282 PolarHBondContact O-N 3.39Å; A279-A282 PolarHBondContact O-N 2.92Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.14Å; A282-R286 WeakPolarHBondContact O-CG 3.42Å; A282-R286 PolarHBondContact O-N 2.93Å; A282-R286 VanDerWaalsContact O-N 3.11Å; A282-R286 PolarHBondContact O-NE 3.08Å
283	A	94.5	Very high	94.2	Very high	45 Å²	45	101.6 Å²	101.6	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-44.7	173.2	0	0	0	0	0	111.4	A279 E280 A285 R286 A287	A279-A283 WeakPolarHBondContact O-CB 3.4Å; A279-A283 PolarHBondContact O-N 3.34Å; E280-A283 PolarHBondContact O-N 3.28Å; A283-A285 PolarHBondContact O-N 3.12Å; A283-R286 PolarHBondContact O-N 2.86Å; A283-A287 PolarHBondContact O-N 3.27Å
284	L	94.7	Very high	94.1	Very high	128 Å²	128	105.1 Å²	105.1	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-60.8	-43.8	176	-175.9	64.8	0	0	0	111.6	E280 A281 R286 A287 A288	E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 PolarHBondContact O-N 3.18Å; A281-L284 PolarHBondContact O-N 2.82Å; L284-R286 PolarHBondContact O-N 2.86Å; L284-A287 PolarHBondContact O-N 2.89Å; L284-A288 WeakPolarHBondContact O-CB 3.41Å; L284-A288 PolarHBondContact O-N 3.39Å
285	A	95.2	Very high	94.1	Very high	61 Å²	61	102.9 Å²	102.9	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-41.7	176.6	0	0	0	0	0	112.5	A281 A283 A288 S289	A281-A285 WeakPolarHBondContact O-CB 3.44Å; A281-A285 PolarHBondContact O-N 3.29Å; A283-A285 PolarHBondContact O-N 3.12Å; A285-A288 PolarHBondContact O-N 3.21Å; A285-S289 WeakPolarHBondContact O-CB 3.34Å; A285-S289 PolarHBondContact O-N 3.5Å; A285-S289 PolarHBondContact O-OG 3.46Å
286	R	92.6	Very high	93.9	Very high	171 Å²	171	99.9 Å²	99.9	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-45.8	175.6	-77.3	-176.9	-68	176.4	0.8	111.9	A282 A283 L284 A288 S289 E290	A282-R286 WeakPolarHBondContact O-CG 3.42Å; A282-R286 PolarHBondContact O-N 2.93Å; A282-R286 VanDerWaalsContact O-N 3.11Å; A282-R286 PolarHBondContact O-NE 3.08Å; A283-R286 PolarHBondContact O-N 2.86Å; L284-R286 PolarHBondContact O-N 2.86Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.9Å; R286-S289 PolarHBondContact O-N 3.5Å; R286-S289 PolarHBondContact O-OG 2.89Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.36Å
287	A	94	Very high	93.9	Very high	59 Å²	59	96.1 Å²	96.1	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.6	0	0	0	0	0	111.6	A283 L284 S289 E290 E291	A283-A287 PolarHBondContact O-N 3.27Å; L284-A287 PolarHBondContact O-N 2.89Å; A287-S289 VanDerWaalsContact C-N 3.35Å; A287-S289 PolarHBondContact O-N 2.96Å; A287-E290 PolarHBondContact O-N 2.97Å; A287-E291 WeakPolarHBondContact O-CB 3.49Å; A287-E291 PolarHBondContact O-N 2.85Å
288	A	94.6	Very high	93.8	Very high	45 Å²	45	93.6 Å²	93.6	37%	0.372	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176.2	0	0	0	0	0	112.8	L284 A285 R286 R292	L284-A288 WeakPolarHBondContact O-CB 3.41Å; L284-A288 PolarHBondContact O-N 3.39Å; A285-A288 PolarHBondContact O-N 3.21Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.9Å; A288-R292 WeakPolarHBondContact O-CG 3.46Å; A288-R292 PolarHBondContact O-N 3.44Å
289	S	92.4	Very high	93.9	Very high	68 Å²	68	95.7 Å²	95.7	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-38.4	178	71.5	0	0	0	0	113.1	A285 R286 A287 R292 R293	A285-S289 WeakPolarHBondContact O-CB 3.34Å; A285-S289 PolarHBondContact O-N 3.5Å; A285-S289 PolarHBondContact O-OG 3.46Å; R286-S289 PolarHBondContact O-N 3.5Å; R286-S289 PolarHBondContact O-OG 2.89Å; A287-S289 VanDerWaalsContact C-N 3.35Å; A287-S289 PolarHBondContact O-N 2.96Å; S289-R292 PolarHBondContact O-N 3.39Å; S289-R293 PolarHBondContact O-N 3Å
290	E	90.6	Very high	93.9	Very high	58 Å²	58	96.6 Å²	96.6	27%	0.271	50%	0.504	S	S	.	.	H	α-helix	trans	-71	-37.3	179.1	-178.3	59.6	-165.9	0	0	110.8	R286 A287 R293 R294	R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.36Å; A287-E290 PolarHBondContact O-N 2.97Å; E290-R293 WeakPolarHBondContact O-CB 3.3Å; E290-R293 PolarHBondContact O-N 3.45Å; E290-R293 IonicContact OE1-CZ 3.8Å; E290-R293 IonicContact OE1-NE 3.21Å; E290-R293 IonicContact OE1-NH2 2.6Å; E290-R293 PolarHBondContact OE1-NH2 3.14Å; E290-R293 IonicContact OE2-CZ 2.75Å; E290-R293 IonicContact OE2-NE 3.47Å; E290-R293 PolarHBondContact OE2-NE 2.9Å; E290-R293 IonicContact OE2-NH2 3.48Å; E290-R293 PolarHBondContact OE2-NH2 3.3Å; E290-R294 VanDerWaalsContact O-CG 3.31Å; E290-R294 WeakPolarHBondContact O-CG 3.32Å; E290-R294 PolarHBondContact O-N 2.92Å; E290-R294 IonicContact OE1-NE 2.71Å; E290-R294 PolarHBondContact OE1-NE 3.31Å
291	E	92.1	Very high	93.9	Very high	113 Å²	113	97.9 Å²	97.9	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-43.8	174.7	-168.3	58.4	-156.1	0	0	111.7	A287 R293 R294 S295	A287-E291 WeakPolarHBondContact O-CB 3.49Å; A287-E291 PolarHBondContact O-N 2.85Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.95Å; E291-R294 PolarHBondContact O-N 2.99Å; E291-S295 PolarHBondContact O-N 2.95Å; E291-S295 PolarHBondContact O-OG 3.35Å
292	R	93.9	Very high	93.9	Very high	189 Å²	189	100.7 Å²	100.7	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-59.1	-39.7	172.9	-72.3	175.4	-172	-178.1	2.8	112.2	A288 S289 S295 E296	A288-R292 WeakPolarHBondContact O-CG 3.46Å; A288-R292 PolarHBondContact O-N 3.44Å; S289-R292 PolarHBondContact O-N 3.39Å; R292-S295 WeakPolarHBondContact CA-OG 3.35Å; R292-S295 PolarHBondContact O-OG 2.89Å; R292-E296 WeakPolarHBondContact O-CB 3.33Å; R292-E296 PolarHBondContact O-N 2.88Å
293	R	93.5	Very high	93.9	Very high	159 Å²	159	104.7 Å²	104.7	60%	0.6	51%	0.514	S	S	*	.	H	α-helix	trans	-67.2	-40	177.8	-167.7	179.9	73.6	107.7	4.4	111.7	S289 E290 E291 A297	S289-R293 PolarHBondContact O-N 3Å; E290-R293 WeakPolarHBondContact O-CB 3.3Å; E290-R293 PolarHBondContact O-N 3.45Å; E290-R293 IonicContact OE1-CZ 3.8Å; E290-R293 IonicContact OE1-NE 3.21Å; E290-R293 IonicContact OE1-NH2 2.6Å; E290-R293 PolarHBondContact OE1-NH2 3.14Å; E290-R293 IonicContact OE2-CZ 2.75Å; E290-R293 IonicContact OE2-NE 3.47Å; E290-R293 PolarHBondContact OE2-NE 2.9Å; E290-R293 IonicContact OE2-NH2 3.48Å; E290-R293 PolarHBondContact OE2-NH2 3.3Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.95Å; R293-A297 VanDerWaalsContact O-CB 3.31Å; R293-A297 WeakPolarHBondContact O-CB 3.36Å; R293-A297 PolarHBondContact O-N 3.46Å
294	R	94	Very high	93.8	Very high	149 Å²	149	109.9 Å²	109.9	56%	0.562	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-47.4	176.3	-72.8	171.6	-177.7	-171	-1	111.7	E290 E291 E296 A297 E298	E290-R294 VanDerWaalsContact O-CG 3.31Å; E290-R294 WeakPolarHBondContact O-CG 3.32Å; E290-R294 PolarHBondContact O-N 2.92Å; E290-R294 IonicContact OE1-NE 2.71Å; E290-R294 PolarHBondContact OE1-NE 3.31Å; E291-R294 PolarHBondContact O-N 2.99Å; R294-E296 VanDerWaalsContact C-N 3.29Å; R294-E296 PolarHBondContact O-N 2.88Å; R294-A297 PolarHBondContact O-N 3.44Å; R294-E298 WeakPolarHBondContact O-CB 3.48Å; R294-E298 PolarHBondContact O-N 3.03Å
295	S	94.2	Very high	93.7	Very high	63 Å²	63	106.6 Å²	106.6	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-39.9	177.6	63.2	0	0	0	0	111.8	E291 R292 R299	E291-S295 PolarHBondContact O-N 2.95Å; E291-S295 PolarHBondContact O-OG 3.35Å; R292-S295 WeakPolarHBondContact CA-OG 3.35Å; R292-S295 PolarHBondContact O-OG 2.89Å; S295-R299 WeakPolarHBondContact O-CB 3.43Å; S295-R299 PolarHBondContact O-N 3.34Å
296	E	92.7	Very high	93.6	Very high	84 Å²	84	109 Å²	109	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-45.1	176.7	-171.5	59	-146.5	0	0	111.8	R292 R294 E298 R299 V300	R292-E296 WeakPolarHBondContact O-CB 3.33Å; R292-E296 PolarHBondContact O-N 2.88Å; R294-E296 VanDerWaalsContact C-N 3.29Å; R294-E296 PolarHBondContact O-N 2.88Å; E296-E298 VanDerWaalsContact C-N 3.35Å; E296-E298 PolarHBondContact O-N 3.49Å; E296-R299 WeakPolarHBondContact O-CB 3.24Å; E296-R299 PolarHBondContact O-N 3.45Å; E296-R299 IonicContact OE1-CZ 2.75Å; E296-R299 IonicContact OE1-NE 3.31Å; E296-R299 PolarHBondContact OE1-NE 3.43Å; E296-R299 IonicContact OE1-NH2 3.64Å; E296-R299 PolarHBondContact OE1-NH2 2.86Å; E296-R299 IonicContact OE2-CZ 3.34Å; E296-R299 IonicContact OE2-NE 3.56Å; E296-R299 PolarHBondContact OE2-NE 2.93Å; E296-R299 IonicContact OE2-NH2 3.08Å; E296-R299 PolarHBondContact OE2-NH2 2.78Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å; E296-V300 PolarHBondContact O-N 3.32Å
297	A	93.9	Very high	93.5	Very high	60 Å²	60	105.2 Å²	105.2	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-38.4	178.3	0	0	0	0	0	112.6	R293 R294 R301	R293-A297 VanDerWaalsContact O-CB 3.31Å; R293-A297 WeakPolarHBondContact O-CB 3.36Å; R293-A297 PolarHBondContact O-N 3.46Å; R294-A297 PolarHBondContact O-N 3.44Å; A297-R301 WeakPolarHBondContact O-CB 3.3Å; A297-R301 PolarHBondContact O-N 3Å
298	E	94.1	Very high	93.4	Very high	106 Å²	106	109.7 Å²	109.7	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175	-166.6	-173.8	165.5	0	0	111.3	R294 E296 R301 K302	R294-E298 WeakPolarHBondContact O-CB 3.48Å; R294-E298 PolarHBondContact O-N 3.03Å; E296-E298 VanDerWaalsContact C-N 3.35Å; E296-E298 PolarHBondContact O-N 3.49Å; E298-R301 PolarHBondContact O-N 3.47Å; E298-K302 HydrophobicContact CG-CD 4.4Å; E298-K302 WeakPolarHBondContact O-CG 3.25Å; E298-K302 PolarHBondContact O-N 3.07Å; E298-K302 WeakPolarHBondContact OE1-CE 3.39Å; E298-K302 IonicContact OE1-NZ 2.76Å; E298-K302 PolarHBondContact OE1-NZ 3.34Å
299	R	95.3	Very high	93.3	Very high	151 Å²	151	111.2 Å²	111.2	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-60.9	-50	175.7	-169.1	176	70.4	154.3	4.1	111.6	S295 E296 R301 K302 E303	S295-R299 WeakPolarHBondContact O-CB 3.43Å; S295-R299 PolarHBondContact O-N 3.34Å; E296-R299 WeakPolarHBondContact O-CB 3.24Å; E296-R299 PolarHBondContact O-N 3.45Å; E296-R299 IonicContact OE1-CZ 2.75Å; E296-R299 IonicContact OE1-NE 3.31Å; E296-R299 PolarHBondContact OE1-NE 3.43Å; E296-R299 IonicContact OE1-NH2 3.64Å; E296-R299 PolarHBondContact OE1-NH2 2.86Å; E296-R299 IonicContact OE2-CZ 3.34Å; E296-R299 IonicContact OE2-NE 3.56Å; E296-R299 PolarHBondContact OE2-NE 2.93Å; E296-R299 IonicContact OE2-NH2 3.08Å; E296-R299 PolarHBondContact OE2-NH2 2.78Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.42Å; R299-K302 PolarHBondContact O-N 2.87Å; R299-E303 WeakPolarHBondContact O-CB 3.19Å; R299-E303 PolarHBondContact O-N 3.1Å
300	V	95.3	Very high	93.3	Very high	77 Å²	77	111.8 Å²	111.8	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-61.5	-39.2	177.9	172.2	0	0	0	0	111.8	E296 R304	E296-V300 WeakPolarHBondContact O-CG2 3.41Å; E296-V300 PolarHBondContact O-N 3.32Å; V300-R304 WeakPolarHBondContact O-CB 3.31Å; V300-R304 PolarHBondContact O-N 3.1Å
301	R	94.9	Very high	93.4	Very high	162 Å²	162	110.7 Å²	110.7	61%	0.611	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-46	176.3	179.9	-179.7	171.4	-177.8	-1	111.9	A297 E298 R299 E303 R304 D305	A297-R301 WeakPolarHBondContact O-CB 3.3Å; A297-R301 PolarHBondContact O-N 3Å; E298-R301 PolarHBondContact O-N 3.47Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.42Å; R301-E303 VanDerWaalsContact C-N 3.31Å; R301-E303 PolarHBondContact O-N 2.94Å; R301-R304 PolarHBondContact O-N 2.84Å; R301-D305 IonicContact NE-OD2 3.28Å; R301-D305 WeakPolarHBondContact O-CB 3.27Å; R301-D305 PolarHBondContact O-N 3.1Å
302	K	95.6	Very high	93.4	Very high	119 Å²	119	109.8 Å²	109.8	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-58.3	-46.1	177.1	-76.5	174.1	-178.8	168.2	0	110.6	E298 R299 D305 L306	E298-K302 HydrophobicContact CG-CD 4.4Å; E298-K302 WeakPolarHBondContact O-CG 3.25Å; E298-K302 PolarHBondContact O-N 3.07Å; E298-K302 WeakPolarHBondContact OE1-CE 3.39Å; E298-K302 IonicContact OE1-NZ 2.76Å; E298-K302 PolarHBondContact OE1-NZ 3.34Å; R299-K302 PolarHBondContact O-N 2.87Å; K302-D305 PolarHBondContact O-N 2.88Å; K302-L306 WeakPolarHBondContact O-CB 3.4Å; K302-L306 VanDerWaalsContact O-CG 3.27Å; K302-L306 WeakPolarHBondContact O-CG 3.48Å; K302-L306 PolarHBondContact O-N 3.35Å
303	E	93.8	Very high	93.4	Very high	131 Å²	131	107.2 Å²	107.2	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-46.2	176.9	-171.1	179.1	176.5	0	0	112.1	R299 R301 D305 L306 N307	R299-E303 WeakPolarHBondContact O-CB 3.19Å; R299-E303 PolarHBondContact O-N 3.1Å; R301-E303 VanDerWaalsContact C-N 3.31Å; R301-E303 PolarHBondContact O-N 2.94Å; E303-D305 PolarHBondContact O-N 3.44Å; E303-L306 PolarHBondContact O-N 2.93Å; E303-N307 VanDerWaalsContact O-CB 3.32Å; E303-N307 WeakPolarHBondContact O-CB 3.24Å; E303-N307 PolarHBondContact O-N 2.9Å
304	R	91.8	Very high	93.5	Very high	155 Å²	155	99.7 Å²	99.7	59%	0.585	47%	0.468	S	S	*	.	H	α-helix	trans	-62.5	-43.5	176.9	-172.7	-156.6	69.6	-176.9	-1.5	112.7	V300 R301 N307 R308	V300-R304 WeakPolarHBondContact O-CB 3.31Å; V300-R304 PolarHBondContact O-N 3.1Å; R301-R304 PolarHBondContact O-N 2.84Å; R304-N307 PolarHBondContact O-N 3.06Å; R304-R308 WeakPolarHBondContact O-CB 3.4Å; R304-R308 PolarHBondContact O-N 3.15Å
305	D	92.9	Very high	93.5	Very high	59 Å²	59	98.3 Å²	98.3	32%	0.316	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-37.2	-177.9	-70.8	-15.3	0	0	0	110.9	R301 K302 E303 S309	R301-D305 IonicContact NE-OD2 3.28Å; R301-D305 WeakPolarHBondContact O-CB 3.27Å; R301-D305 PolarHBondContact O-N 3.1Å; K302-D305 PolarHBondContact O-N 2.88Å; E303-D305 PolarHBondContact O-N 3.44Å; D305-S309 WeakPolarHBondContact O-CB 3.31Å; D305-S309 PolarHBondContact O-N 2.9Å
306	L	93	Very high	93.4	Very high	111 Å²	111	104.1 Å²	104.1	58%	0.581	48%	0.475	S	S	*	.	H	α-helix	trans	-61.2	-52.2	169.5	-73.3	173	0	0	0	111.2	K302 E303 R308 S309 E310	K302-L306 WeakPolarHBondContact O-CB 3.4Å; K302-L306 VanDerWaalsContact O-CG 3.27Å; K302-L306 WeakPolarHBondContact O-CG 3.48Å; K302-L306 PolarHBondContact O-N 3.35Å; E303-L306 PolarHBondContact O-N 2.93Å; L306-R308 PolarHBondContact O-N 2.92Å; L306-S309 WeakPolarHBondContact O-CA 3.3Å; L306-S309 WeakPolarHBondContact O-CB 3.42Å; L306-S309 PolarHBondContact O-N 2.8Å; L306-E310 WeakPolarHBondContact O-CG 3.12Å; L306-E310 PolarHBondContact O-N 3.44Å
307	N	91.3	Very high	93.5	Very high	92 Å²	92	102.4 Å²	102.4	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-34.6	-179.4	-164.4	63.3	0	0	0	112.4	E303 R304 A311 N360	E303-N307 VanDerWaalsContact O-CB 3.32Å; E303-N307 WeakPolarHBondContact O-CB 3.24Å; E303-N307 PolarHBondContact O-N 2.9Å; R304-N307 PolarHBondContact O-N 3.06Å; N307-A311 VanDerWaalsContact O-CB 3.29Å; N307-A311 WeakPolarHBondContact O-CB 3.24Å; N307-A311 PolarHBondContact O-N 3.5Å; N307-N360 PolarHBondContact O-ND2 3.21Å; N307-N360 PolarHBondContact OD1-ND2 3.06Å
308	R	91.4	Very high	93.4	Very high	153 Å²	153	99.6 Å²	99.6	58%	0.577	44%	0.444	S	S	*	.	H	α-helix	trans	-71	-36.2	174	-175.4	-179	-178.3	-140.8	4.5	112.6	R304 L306 K312	R304-R308 WeakPolarHBondContact O-CB 3.4Å; R304-R308 PolarHBondContact O-N 3.15Å; L306-R308 PolarHBondContact O-N 2.92Å; R308-K312 WeakPolarHBondContact O-CG 3.47Å; R308-K312 PolarHBondContact O-N 3.19Å; R308-K312 VanDerWaalsContact O-N 3.14Å
309	S	93.6	Very high	93.4	Very high	76 Å²	76	100.6 Å²	100.6	53%	0.531	44%	0.443	S	S	.	.	H	α-helix	trans	-68.4	-46.3	177.5	-167.3	0	0	0	0	110.8	D305 L306 K312 R313	D305-S309 WeakPolarHBondContact O-CB 3.31Å; D305-S309 PolarHBondContact O-N 2.9Å; L306-S309 WeakPolarHBondContact O-CA 3.3Å; L306-S309 WeakPolarHBondContact O-CB 3.42Å; L306-S309 PolarHBondContact O-N 2.8Å; S309-K312 PolarHBondContact O-N 3.35Å; S309-R313 PolarHBondContact O-N 2.89Å
310	E	91.9	Very high	93.3	Very high	80 Å²	80	95.6 Å²	95.6	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-57.7	-52.2	173.5	-71.2	177.8	166.6	0	0	110.9	L306 K312 R313 E314 N360	L306-E310 WeakPolarHBondContact O-CG 3.12Å; L306-E310 PolarHBondContact O-N 3.44Å; E310-K312 PolarHBondContact O-N 3.09Å; E310-K312 VanDerWaalsContact O-N 3.17Å; E310-R313 WeakPolarHBondContact O-CB 3.45Å; E310-R313 PolarHBondContact O-N 3.08Å; E310-E314 WeakPolarHBondContact O-CG 3.45Å; E310-E314 PolarHBondContact O-N 2.89Å; E310-N360 HydrophobicContact CB-CB 4.3Å; E310-N360 WeakPolarHBondContact CB-ND2 3.33Å
311	A	91.5	Very high	93.1	Very high	35 Å²	35	92.3 Å²	92.3	29%	0.289	41%	0.411	S	S	.	.	H	α-helix	trans	-56	-38.2	178.1	0	0	0	0	0	113.1	N307 R315 N360	N307-A311 VanDerWaalsContact O-CB 3.29Å; N307-A311 WeakPolarHBondContact O-CB 3.24Å; N307-A311 PolarHBondContact O-N 3.5Å; A311-R315 VanDerWaalsContact O-CB 3.22Å; A311-R315 WeakPolarHBondContact O-CB 3.31Å; A311-R315 PolarHBondContact O-N 2.81Å; A311-N360 VanDerWaalsContact CA-OD1 3.29Å; A311-N360 WeakPolarHBondContact CA-OD1 3.35Å; A311-N360 VanDerWaalsContact CB-OD1 3.3Å; A311-N360 WeakPolarHBondContact CB-OD1 3.27Å
312	K	93.1	Very high	92.9	Very high	95 Å²	95	84.6 Å²	84.6	41%	0.413	38%	0.382	S	S	.	.	H	α-helix	trans	-69.8	-41.3	175.6	-78.3	177.7	-179.3	-178.6	0	112.4	R308 S309 E310 R316	R308-K312 WeakPolarHBondContact O-CG 3.47Å; R308-K312 PolarHBondContact O-N 3.19Å; R308-K312 VanDerWaalsContact O-N 3.14Å; S309-K312 PolarHBondContact O-N 3.35Å; E310-K312 PolarHBondContact O-N 3.09Å; E310-K312 VanDerWaalsContact O-N 3.17Å; K312-R316 WeakPolarHBondContact O-CB 3.38Å; K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 3.05Å
313	R	94.5	Very high	92.6	Very high	134 Å²	134	80.1 Å²	80.1	51%	0.506	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-52.5	176.7	-177.4	-176.2	67.8	-164.5	-1	109.5	S309 E310 R315 R316 Q317	S309-R313 PolarHBondContact O-N 2.89Å; E310-R313 WeakPolarHBondContact O-CB 3.45Å; E310-R313 PolarHBondContact O-N 3.08Å; R313-R315 PolarHBondContact O-N 2.99Å; R313-R316 PolarHBondContact O-N 3.3Å; R313-Q317 WeakPolarHBondContact O-CB 3.27Å; R313-Q317 PolarHBondContact O-N 3.31Å
314	E	93.9	Very high	92.3	Very high	1 Å²	1	80.7 Å²	80.7	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.6	-41.1	-177.8	-58.7	-42	137.9	0	0	112.1	E310 R316 Q317 L318 L363 H364 N367	E310-E314 WeakPolarHBondContact O-CG 3.45Å; E310-E314 PolarHBondContact O-N 2.89Å; E314-R316 PolarHBondContact O-N 2.82Å; E314-Q317 PolarHBondContact O-N 2.95Å; E314-L318 WeakPolarHBondContact O-CB 3.44Å; E314-L318 PolarHBondContact O-N 3.28Å; E314-L363 HydrophobicContact CB-CB 3.77Å; E314-L363 HydrophobicContact CB-CD1 4.32Å; E314-L363 HydrophobicContact CG-CB 4.23Å; E314-H364 HydrophobicContact CG-CB 4.31Å; E314-H364 IonicContact OE1-CG 2.79Å; E314-H364 IonicContact OE1-ND1 2.69Å; E314-H364 PolarHBondContact OE1-ND1 3.36Å; E314-H364 VanDerWaalsContact OE2-CA 3.24Å; E314-H364 WeakPolarHBondContact OE2-CA 3.31Å; E314-H364 IonicContact OE2-CG 2.64Å; E314-H364 IonicContact OE2-ND1 2.86Å; E314-H364 PolarHBondContact OE2-ND1 3.35Å; E314-N367 WeakPolarHBondContact CA-ND2 3.29Å; E314-N367 PolarHBondContact O-ND2 2.91Å; E314-N367 PolarHBondContact OE2-ND2 3.48Å
315	R	94.1	Very high	92.1	Very high	121 Å²	121	78 Å²	78	46%	0.457	36%	0.362	S	S	.	.	H	α-helix	trans	-66.2	-36.9	175.8	-178.7	167.6	-174.7	-169.9	2.4	113.1	A311 R313 R319 D352 C355	A311-R315 VanDerWaalsContact O-CB 3.22Å; A311-R315 WeakPolarHBondContact O-CB 3.31Å; A311-R315 PolarHBondContact O-N 2.81Å; R313-R315 PolarHBondContact O-N 2.99Å; R315-R319 WeakPolarHBondContact O-CB 3.36Å; R315-R319 PolarHBondContact O-N 2.8Å; R315-D352 IonicContact CZ-OD1 3.39Å; R315-D352 IonicContact NE-OD1 3.97Å; R315-D352 IonicContact NH2-OD1 3.83Å; R315-D352 PolarHBondContact NH2-OD1 3.23Å; R315-C355 HydrophobicContact CG-CB 4.48Å
316	R	93.4	Very high	91.8	Very high	184 Å²	184	76 Å²	76	69%	0.694	35%	0.35	S	S	*	.	H	α-helix	trans	-68.5	-44	176.7	-78.2	173.1	179	-162.7	-2	111.2	K312 R313 E314 R319 S320	K312-R316 WeakPolarHBondContact O-CB 3.38Å; K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 3.05Å; R313-R316 PolarHBondContact O-N 3.3Å; E314-R316 PolarHBondContact O-N 2.82Å; R316-R319 PolarHBondContact O-N 2.85Å; R316-S320 PolarHBondContact O-N 3.18Å
317	Q	93.7	Very high	91.5	Very high	49 Å²	49	74.8 Å²	74.8	23%	0.229	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-49.5	176.7	-173.3	172.4	-2.1	0	0	110.2	R313 E314 R319 S320 L321 N367 E371	R313-Q317 WeakPolarHBondContact O-CB 3.27Å; R313-Q317 PolarHBondContact O-N 3.31Å; E314-Q317 PolarHBondContact O-N 2.95Å; Q317-R319 VanDerWaalsContact C-N 3.27Å; Q317-R319 PolarHBondContact O-N 3.31Å; Q317-S320 PolarHBondContact O-N 3.05Å; Q317-S320 VanDerWaalsContact O-N 3.11Å; Q317-L321 HydrophobicContact CG-CD1 4.22Å; Q317-L321 WeakPolarHBondContact O-CG 3.35Å; Q317-L321 PolarHBondContact O-N 3Å; Q317-N367 HydrophobicContact CG-CB 4.01Å; Q317-E371 PolarHBondContact NE2-OE2 3.3Å
318	L	93.2	Very high	91.4	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-55.9	-43.9	175.9	-172	57.5	0	0	0	111.7	E314 L322 M351 L363 L366 N367 L370	E314-L318 WeakPolarHBondContact O-CB 3.44Å; E314-L318 PolarHBondContact O-N 3.28Å; L318-L322 HydrophobicContact CD1-CD1 4.1Å; L318-L322 HydrophobicContact CD1-CG 4.25Å; L318-L322 HydrophobicContact CG-CD1 3.96Å; L318-L322 HydrophobicContact CG-CG 4.48Å; L318-L322 WeakPolarHBondContact O-CB 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.43Å; L318-L322 PolarHBondContact O-N 3.4Å; L318-M351 HydrophobicContact CD2-CG 3.72Å; L318-M351 HydrophobicContact CG-CG 3.95Å; L318-L363 HydrophobicContact CD2-CD2 4.32Å; L318-L366 HydrophobicContact CD1-CD2 4.25Å; L318-N367 WeakPolarHBondContact CA-OD1 3.49Å; L318-N367 WeakPolarHBondContact CB-OD1 3.46Å; L318-N367 WeakPolarHBondContact CD1-OD1 3.27Å; L318-N367 PolarHBondContact N-OD1 3.02Å; L318-L370 HydrophobicContact CD1-CD1 3.61Å
319	R	92.3	Very high	91.3	Very high	127 Å²	127	65.5 Å²	65.5	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-43.3	177.7	-171.7	177.6	-173.5	-92.5	0.7	112.6	R315 R316 Q317 L322 V323 M351	R315-R319 WeakPolarHBondContact O-CB 3.36Å; R315-R319 PolarHBondContact O-N 2.8Å; R316-R319 PolarHBondContact O-N 2.85Å; Q317-R319 VanDerWaalsContact C-N 3.27Å; Q317-R319 PolarHBondContact O-N 3.31Å; R319-L322 PolarHBondContact O-N 3.37Å; R319-V323 HydrophobicContact CG-CG2 3.95Å; R319-V323 VanDerWaalsContact O-CB 3.25Å; R319-V323 WeakPolarHBondContact O-CB 3.26Å; R319-V323 VanDerWaalsContact O-CG2 3.26Å; R319-V323 WeakPolarHBondContact O-CG2 3.38Å; R319-V323 PolarHBondContact O-N 3.39Å; R319-M351 HydrophobicContact CB-SD 3.81Å; R319-M351 HydrophobicContact CG-SD 4.1Å
320	S	93.5	Very high	90.7	Very high	47 Å²	47	63.3 Å²	63.3	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-45.5	177.9	175.1	0	0	0	0	110.6	R316 Q317 L322 V323 E324 Q325	R316-S320 PolarHBondContact O-N 3.18Å; Q317-S320 PolarHBondContact O-N 3.05Å; Q317-S320 VanDerWaalsContact O-N 3.11Å; S320-L322 PolarHBondContact O-N 2.82Å; S320-V323 PolarHBondContact O-N 3.17Å; S320-E324 WeakPolarHBondContact O-CA 3.43Å; S320-E324 VanDerWaalsContact O-CB 3.28Å; S320-E324 WeakPolarHBondContact O-CB 3.48Å; S320-E324 PolarHBondContact O-N 3.48Å; S320-E324 PolarHBondContact OG-OE2 3.47Å; S320-Q325 PolarHBondContact O-N 3.04Å
321	L	91.5	Very high	89.6	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.037	29%	0.289	C	S	.	.	I	π-helix	trans	-57.1	-49.8	174.6	-65.3	173.6	0	0	0	111.5	Q317 Q325 F326 N367 L370 E371	Q317-L321 HydrophobicContact CG-CD1 4.22Å; Q317-L321 WeakPolarHBondContact O-CG 3.35Å; Q317-L321 PolarHBondContact O-N 3Å; L321-Q325 WeakPolarHBondContact O-CB 3.18Å; L321-Q325 PolarHBondContact O-N 3.34Å; L321-F326 WeakPolarHBondContact O-CD2 3.42Å; L321-F326 PolarHBondContact O-N 2.82Å; L321-N367 HydrophobicContact CD1-CB 4.23Å; L321-N367 WeakPolarHBondContact CD1-O 3.49Å; L321-L370 HydrophobicContact CD1-CB 3.88Å; L321-E371 HydrophobicContact CD1-CB 4.44Å; L321-E371 HydrophobicContact CD2-CB 4.08Å; L321-E371 HydrophobicContact CD2-CG 4.32Å
322	L	90.1	Very high	88.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.315	C	S	.	.	I	π-helix	trans	-69.6	-39.7	-177	-67	175.9	0	0	0	113.6	L318 R319 S320 N327 Y328 F329 I347 M351 F383	L318-L322 HydrophobicContact CD1-CD1 4.1Å; L318-L322 HydrophobicContact CD1-CG 4.25Å; L318-L322 HydrophobicContact CG-CD1 3.96Å; L318-L322 HydrophobicContact CG-CG 4.48Å; L318-L322 WeakPolarHBondContact O-CB 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.43Å; L318-L322 PolarHBondContact O-N 3.4Å; R319-L322 PolarHBondContact O-N 3.37Å; S320-L322 PolarHBondContact O-N 2.82Å; L322-N327 PolarHBondContact O-N 3.13Å; L322-Y328 WeakPolarHBondContact O-CA 3.3Å; L322-Y328 PolarHBondContact O-N 2.91Å; L322-F329 HydrophobicContact CD2-CD2 4.47Å; L322-F329 HydrophobicContact CD2-CE2 3.35Å; L322-F329 HydrophobicContact CD2-CZ 3.41Å; L322-F329 VanDerWaalsContact CD2-CZ 3.41Å; L322-I347 HydrophobicContact CD1-CG2 4.33Å; L322-I347 HydrophobicContact CD2-CG2 4.43Å; L322-M351 HydrophobicContact CD1-CB 3.66Å; L322-M351 HydrophobicContact CD1-CG 3.67Å; L322-M351 HydrophobicContact CD1-SD 3.94Å; L322-F383 HydrophobicContact CD1-CD2 4.3Å; L322-F383 HydrophobicContact CD1-CE2 3.66Å; L322-F383 HydrophobicContact CD1-CZ 4.04Å; L322-F383 HydrophobicContact CD2-CD2 3.91Å; L322-F383 HydrophobicContact CD2-CE2 4.05Å; L322-F383 HydrophobicContact CD2-CG 4.21Å; L322-F383 HydrophobicContact CD2-CZ 4.48Å; L322-F383 HydrophobicContact CG-CE2 4.48Å
323	V	90	Very high	86.3	Confident	25 Å²	25	68.6 Å²	68.6	15%	0.152	34%	0.337	C	S	.	.	I	π-helix	trans	-91.5	-51.3	-172.9	177.3	0	0	0	0	111.8	R319 S320 N327 Y328 L348	R319-V323 HydrophobicContact CG-CG2 3.95Å; R319-V323 VanDerWaalsContact O-CB 3.25Å; R319-V323 WeakPolarHBondContact O-CB 3.26Å; R319-V323 VanDerWaalsContact O-CG2 3.26Å; R319-V323 WeakPolarHBondContact O-CG2 3.38Å; R319-V323 PolarHBondContact O-N 3.39Å; S320-V323 PolarHBondContact O-N 3.17Å; V323-N327 VanDerWaalsContact O-CA 3.32Å; V323-N327 WeakPolarHBondContact O-CA 3.46Å; V323-N327 PolarHBondContact O-N 2.87Å; V323-Y328 HydrophobicContact CB-CE2 4.48Å; V323-Y328 HydrophobicContact CG1-CE2 3.89Å; V323-Y328 WeakPolarHBondContact CG1-OH 3.28Å; V323-Y328 HydrophobicContact CG2-CD1 4.45Å; V323-Y328 HydrophobicContact CG2-CE1 3.71Å; V323-Y328 HydrophobicContact CG2-CE2 4.47Å; V323-L348 HydrophobicContact CG2-CD2 4.35Å
324	E	87.3	Confident	84.4	Confident	143 Å²	143	71.1 Å²	71.1	67%	0.668	35%	0.352	S	S	*	.	I	π-helix	trans	-86.8	-44.3	-170.1	-60.9	168.9	-177.7	0	0	111.1	S320	S320-E324 WeakPolarHBondContact O-CA 3.43Å; S320-E324 VanDerWaalsContact O-CB 3.28Å; S320-E324 WeakPolarHBondContact O-CB 3.48Å; S320-E324 PolarHBondContact O-N 3.48Å; S320-E324 PolarHBondContact OG-OE2 3.47Å
325	Q	87.2	Confident	82.6	Confident	100 Å²	100	74.2 Å²	74.2	47%	0.467	37%	0.371	S	S	.	.	I	π-helix	trans	-82.6	-44.9	-177.8	-175.6	174	-12.8	0	0	112.7	S320 L321	S320-Q325 PolarHBondContact O-N 3.04Å; L321-Q325 WeakPolarHBondContact O-CB 3.18Å; L321-Q325 PolarHBondContact O-N 3.34Å
326	F	87.9	Confident	81	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.066	37%	0.373	C	S	.	.	S	Bend	trans	-104.3	-0.7	-175.1	-61.9	-57.7	0	0	0	115	L321 Y328 F329 A379	L321-F326 WeakPolarHBondContact O-CD2 3.42Å; L321-F326 PolarHBondContact O-N 2.82Å; F326-Y328 VanDerWaalsContact C-N 3.31Å; F326-Y328 PolarHBondContact O-N 2.94Å; F326-F329 HydrophobicContact CB-CD1 3.67Å; F326-F329 HydrophobicContact CB-CE1 3.56Å; F326-F329 HydrophobicContact CB-CG 4.5Å; F326-F329 HydrophobicContact CB-CZ 4.36Å; F326-F329 HydrophobicContact CD1-CE1 4.32Å; F326-F329 AromaticContact CD2-CE1 3.77Å; F326-F329 HydrophobicContact CD2-CE1 3.77Å; F326-F329 HydrophobicContact CD2-CZ 4.26Å; F326-F329 HydrophobicContact CG-CD1 4.12Å; F326-F329 AromaticContact CG-CE1 3.62Å; F326-F329 HydrophobicContact CG-CE1 3.62Å; F326-F329 HydrophobicContact CG-CZ 4.48Å; F326-F329 WeakPolarHBondContact O-CA 3.23Å; F326-F329 PolarHBondContact O-N 3.32Å; F326-A379 HydrophobicContact CD1-CB 4.23Å; F326-A379 HydrophobicContact CD2-CB 4.12Å; F326-A379 HydrophobicContact CE1-CB 3.77Å; F326-A379 HydrophobicContact CE2-CB 3.66Å; F326-A379 HydrophobicContact CG-CB 4.4Å; F326-A379 HydrophobicContact CZ-CB 3.47Å; F326-A379 VanDerWaalsContact CZ-CB 3.47Å
327	N	87.1	Confident	79.5	Confident	86 Å²	86	70.3 Å²	70.3	46%	0.46	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	45.9	51.3	179.8	-170.1	24.5	0	0	0	113.3	L322 V323 F329 L330	L322-N327 PolarHBondContact O-N 3.13Å; V323-N327 VanDerWaalsContact O-CA 3.32Å; V323-N327 WeakPolarHBondContact O-CA 3.46Å; V323-N327 PolarHBondContact O-N 2.87Å; N327-F329 PolarHBondContact O-N 3.4Å; N327-F329 VanDerWaalsContact O-N 3.12Å; N327-L330 VanDerWaalsContact O-CB 3.31Å; N327-L330 WeakPolarHBondContact O-CB 3.42Å; N327-L330 VanDerWaalsContact O-CG 3.29Å; N327-L330 WeakPolarHBondContact O-CG 3.2Å; N327-L330 PolarHBondContact O-N 3.06Å
328	Y	88.7	Confident	78.5	Confident	38 Å²	38	73 Å²	73	15%	0.149	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	58	22.4	-177.4	-49.4	-94.8	0	0	0	114.4	L322 V323 F326 L330 H343 Q344 L348	L322-Y328 WeakPolarHBondContact O-CA 3.3Å; L322-Y328 PolarHBondContact O-N 2.91Å; V323-Y328 HydrophobicContact CB-CE2 4.48Å; V323-Y328 HydrophobicContact CG1-CE2 3.89Å; V323-Y328 WeakPolarHBondContact CG1-OH 3.28Å; V323-Y328 HydrophobicContact CG2-CD1 4.45Å; V323-Y328 HydrophobicContact CG2-CE1 3.71Å; V323-Y328 HydrophobicContact CG2-CE2 4.47Å; F326-Y328 VanDerWaalsContact C-N 3.31Å; F326-Y328 PolarHBondContact O-N 2.94Å; Y328-L330 PolarHBondContact O-N 2.98Å; Y328-H343 PolarHBondContact O-CD2 2.88Å; Y328-H343 PolarHBondContact O-NE2 2.84Å; Y328-Q344 HydrophobicContact CD1-CB 3.97Å; Y328-Q344 HydrophobicContact CD1-CG 4Å; Y328-Q344 HydrophobicContact CD2-CG 3.91Å; Y328-Q344 HydrophobicContact CE1-CB 4.28Å; Y328-Q344 HydrophobicContact CE1-CG 4.48Å; Y328-Q344 HydrophobicContact CE2-CG 4.42Å; Y328-Q344 HydrophobicContact CG-CB 4.19Å; Y328-Q344 HydrophobicContact CG-CG 3.69Å; Y328-L348 HydrophobicContact CD1-CG 4.43Å; Y328-L348 HydrophobicContact CE1-CD1 4.03Å; Y328-L348 HydrophobicContact CE1-CD2 4.02Å; Y328-L348 HydrophobicContact CE1-CG 3.92Å
329	F	88.2	Confident	77.8	Confident	13 Å²	13	79.3 Å²	79.3	6%	0.057	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	59	29	-172	-49.2	-69.6	0	0	0	113.6	L322 F326 N327 V331 I347 A379 H380 F383	L322-F329 HydrophobicContact CD2-CD2 4.47Å; L322-F329 HydrophobicContact CD2-CE2 3.35Å; L322-F329 HydrophobicContact CD2-CZ 3.41Å; L322-F329 VanDerWaalsContact CD2-CZ 3.41Å; F326-F329 HydrophobicContact CB-CD1 3.67Å; F326-F329 HydrophobicContact CB-CE1 3.56Å; F326-F329 HydrophobicContact CB-CG 4.5Å; F326-F329 HydrophobicContact CB-CZ 4.36Å; F326-F329 HydrophobicContact CD1-CE1 4.32Å; F326-F329 AromaticContact CD2-CE1 3.77Å; F326-F329 HydrophobicContact CD2-CE1 3.77Å; F326-F329 HydrophobicContact CD2-CZ 4.26Å; F326-F329 HydrophobicContact CG-CD1 4.12Å; F326-F329 AromaticContact CG-CE1 3.62Å; F326-F329 HydrophobicContact CG-CE1 3.62Å; F326-F329 HydrophobicContact CG-CZ 4.48Å; F326-F329 WeakPolarHBondContact O-CA 3.23Å; F326-F329 PolarHBondContact O-N 3.32Å; N327-F329 PolarHBondContact O-N 3.4Å; N327-F329 VanDerWaalsContact O-N 3.12Å; F329-V331 PolarHBondContact O-N 3.29Å; F329-I347 HydrophobicContact CD2-CD1 4.05Å; F329-I347 HydrophobicContact CD2-CG1 4.47Å; F329-I347 HydrophobicContact CD2-CG2 4.45Å; F329-I347 HydrophobicContact CE2-CG2 4.48Å; F329-A379 HydrophobicContact CE1-CB 3.77Å; F329-A379 HydrophobicContact CZ-CB 4.44Å; F329-H380 HydrophobicContact CB-CB 4.16Å; F329-H380 WeakPolarHBondContact CB-ND1 3.4Å; F329-H380 HydrophobicContact CD1-CB 3.68Å; F329-H380 HydrophobicContact CD2-CB 4.26Å; F329-H380 AromaticContact CD2-ND1 3.16Å; F329-H380 WeakPolarHBondContact CD2-ND1 3.48Å; F329-H380 HydrophobicContact CE1-CB 4.08Å; F329-H380 AromaticContact CE2-ND1 3.8Å; F329-H380 HydrophobicContact CG-CB 3.78Å; F329-H380 AromaticContact CG-CG 3.89Å; F329-H380 AromaticContact CG-ND1 3.31Å; F329-H380 VanDerWaalsContact CG-ND1 3.31Å; F329-H380 WeakPolarHBondContact CG-ND1 3.28Å; F329-H380 HydrophobicContact CZ-CB 4.48Å; F329-F383 HydrophobicContact CE2-CB 4.25Å; F329-F383 AromaticContact CE2-CD1 3.99Å; F329-F383 HydrophobicContact CE2-CD1 3.99Å; F329-F383 HydrophobicContact CE2-CG 4.15Å; F329-F383 HydrophobicContact CZ-CB 4.17Å; F329-F383 HydrophobicContact CZ-CG 4.47Å
330	L	81.6	Confident	77.2	Confident	30 Å²	30	74.8 Å²	74.8	16%	0.157	42%	0.416	C	S	.	.			trans	-74.6	123.7	174	-64.7	169.3	0	0	0	110	N327 Y328 T335 V340 Q344	N327-L330 VanDerWaalsContact O-CB 3.31Å; N327-L330 WeakPolarHBondContact O-CB 3.42Å; N327-L330 VanDerWaalsContact O-CG 3.29Å; N327-L330 WeakPolarHBondContact O-CG 3.2Å; N327-L330 PolarHBondContact O-N 3.06Å; Y328-L330 PolarHBondContact O-N 2.98Å; L330-T335 HydrophobicContact CD2-CG2 4.12Å; L330-V340 HydrophobicContact CD1-CG1 3.78Å; L330-V340 HydrophobicContact CD2-CG1 4.09Å; L330-Q344 HydrophobicContact CD1-CG 4.12Å
331	V	69.6	Low	76.7	Confident	76 Å²	76	74.3 Å²	74.3	46%	0.461	42%	0.419	S	S	.	.			trans	-88.6	119.6	176.2	179.1	0	0	0	0	109.1	F329 D333 K334	F329-V331 PolarHBondContact O-N 3.29Å; V331-D333 PolarHBondContact O-N 2.84Å; V331-K334 PolarHBondContact O-N 3.4Å
332	G	60	Low	76.5	Confident	81 Å²	81	77.7 Å²	77.7	84%	0.835	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-6.4	-163.1	0	0	0	0	0	119.1
333	D	55.1	Low	76.3	Confident	164 Å²	164	80.5 Å²	80.5	88%	0.877	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-1.5	-176.1	-99.4	-16.6	0	0	0	115.3	V331	V331-D333 PolarHBondContact O-N 2.84Å
334	K	53.5	Low	76.3	Confident	186 Å²	186	81.9 Å²	81.9	81%	0.809	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	1.9	-169.2	-64.4	-170	-178.9	179.5	0	116.2	V331	V331-K334 PolarHBondContact O-N 3.4Å
335	T	56.4	Low	76.4	Confident	66 Å²	66	79.8 Å²	79.8	41%	0.405	46%	0.457	S	S	.	.			trans	-91.1	116.5	-179.2	58.2	0	0	0	0	111	L330 T337	L330-T335 HydrophobicContact CD2-CG2 4.12Å; T335-T337 PolarHBondContact O-N 3.22Å; T335-T337 VanDerWaalsContact O-N 3.15Å
336	D	60.8	Low	76.6	Confident	94 Å²	94	79.9 Å²	79.9	50%	0.503	46%	0.456	S	S	.	.			trans	-51.6	115.6	166	-178.2	0.3	0	0	0	109.7	S338 K339 V340	D336-S338 PolarHBondContact O-N 2.99Å; D336-S338 PolarHBondContact OD1-N 2.85Å; D336-K339 PolarHBondContact O-N 3.21Å; D336-V340 PolarHBondContact O-N 3.15Å
337	T	62.9	Low	76.8	Confident	129 Å²	129	79.2 Å²	79.2	79%	0.791	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.9	-174.1	-30.7	0	0	0	0	111.9	T335 K339	T335-T337 PolarHBondContact O-N 3.22Å; T335-T337 VanDerWaalsContact O-N 3.15Å; T337-K339 VanDerWaalsContact C-N 3.35Å; T337-K339 PolarHBondContact O-N 3.11Å
338	S	72.8	Confident	77	Confident	106 Å²	106	77.6 Å²	77.6	74%	0.741	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.8	176.5	-178.1	0	0	0	0	113.6	D336	D336-S338 PolarHBondContact O-N 2.99Å; D336-S338 PolarHBondContact OD1-N 2.85Å
339	K	77.1	Confident	77.3	Confident	133 Å²	133	78.5 Å²	78.5	58%	0.578	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-12.2	-174.3	-67.4	-178.3	-176.7	173.3	0	114.3	D336 T337 G341 S342 H343	D336-K339 PolarHBondContact O-N 3.21Å; T337-K339 VanDerWaalsContact C-N 3.35Å; T337-K339 PolarHBondContact O-N 3.11Å; K339-G341 VanDerWaalsContact C-N 3.33Å; K339-G341 PolarHBondContact O-N 2.78Å; K339-S342 PolarHBondContact O-N 3.23Å; K339-S342 VanDerWaalsContact O-N 3.08Å; K339-S342 PolarHBondContact O-OG 3.25Å; K339-H343 PolarHBondContact O-N 2.97Å
340	V	81	Confident	77.6	Confident	31 Å²	31	78.4 Å²	78.4	19%	0.188	46%	0.46	C	S	.	.	H	α-helix	trans	-51.9	-49.8	-177.9	175.4	0	0	0	0	111.6	L330 D336 S342 H343 Q344	L330-V340 HydrophobicContact CD1-CG1 3.78Å; L330-V340 HydrophobicContact CD2-CG1 4.09Å; D336-V340 PolarHBondContact O-N 3.15Å; V340-S342 PolarHBondContact O-N 3.5Å; V340-H343 PolarHBondContact O-N 3.25Å; V340-Q344 HydrophobicContact CG1-CG 4.45Å; V340-Q344 WeakPolarHBondContact O-CG 3.33Å; V340-Q344 PolarHBondContact O-N 2.93Å
341	G	82.6	Confident	78.1	Confident	38 Å²	38	77.4 Å²	77.4	39%	0.392	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-40.2	179.4	0	0	0	0	0	113.4	K339 H343 Q344 V345	K339-G341 VanDerWaalsContact C-N 3.33Å; K339-G341 PolarHBondContact O-N 2.78Å; G341-H343 VanDerWaalsContact C-N 3.34Å; G341-H343 PolarHBondContact O-N 2.92Å; G341-Q344 PolarHBondContact O-N 3.38Å; G341-V345 VanDerWaalsContact O-CG2 3.31Å; G341-V345 WeakPolarHBondContact O-CG2 3.43Å; G341-V345 PolarHBondContact O-N 2.98Å
342	S	86.4	Confident	79.3	Confident	77 Å²	77	76 Å²	76	54%	0.538	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-37.1	177.6	72.5	0	0	0	0	112.6	K339 V340 K346	K339-S342 PolarHBondContact O-N 3.23Å; K339-S342 VanDerWaalsContact O-N 3.08Å; K339-S342 PolarHBondContact O-OG 3.25Å; V340-S342 PolarHBondContact O-N 3.5Å; S342-K346 PolarHBondContact O-N 3.26Å; S342-K346 VanDerWaalsContact O-N 3.08Å
343	H	86.9	Confident	80.9	Confident	59 Å²	59	73.6 Å²	73.6	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-68.6	-45.7	177.3	-170.7	77.7	0	0	0	111.4	Y328 K339 V340 G341 V345 K346 I347	Y328-H343 PolarHBondContact O-CD2 2.88Å; Y328-H343 PolarHBondContact O-NE2 2.84Å; K339-H343 PolarHBondContact O-N 2.97Å; V340-H343 PolarHBondContact O-N 3.25Å; G341-H343 VanDerWaalsContact C-N 3.34Å; G341-H343 PolarHBondContact O-N 2.92Å; H343-V345 VanDerWaalsContact C-N 3.31Å; H343-V345 PolarHBondContact O-N 3.36Å; H343-K346 WeakPolarHBondContact O-CB 3.5Å; H343-K346 PolarHBondContact O-N 3.45Å; H343-K346 VanDerWaalsContact O-N 3.11Å; H343-I347 PolarHBondContact O-N 3.21Å
344	Q	89.9	Confident	82.8	Confident	55 Å²	55	65.8 Å²	65.8	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-57.7	-43.6	176.1	-68.3	174.7	-42.6	0	0	111.8	Y328 L330 V340 G341 K346 I347 L348	Y328-Q344 HydrophobicContact CD1-CB 3.97Å; Y328-Q344 HydrophobicContact CD1-CG 4Å; Y328-Q344 HydrophobicContact CD2-CG 3.91Å; Y328-Q344 HydrophobicContact CE1-CB 4.28Å; Y328-Q344 HydrophobicContact CE1-CG 4.48Å; Y328-Q344 HydrophobicContact CE2-CG 4.42Å; Y328-Q344 HydrophobicContact CG-CB 4.19Å; Y328-Q344 HydrophobicContact CG-CG 3.69Å; L330-Q344 HydrophobicContact CD1-CG 4.12Å; V340-Q344 HydrophobicContact CG1-CG 4.45Å; V340-Q344 WeakPolarHBondContact O-CG 3.33Å; V340-Q344 PolarHBondContact O-N 2.93Å; G341-Q344 PolarHBondContact O-N 3.38Å; Q344-K346 PolarHBondContact O-N 3.41Å; Q344-I347 PolarHBondContact O-N 3.11Å; Q344-L348 WeakPolarHBondContact O-CG 3.49Å; Q344-L348 PolarHBondContact O-N 3.46Å
345	V	88.9	Confident	84.6	Confident	99 Å²	99	58.1 Å²	58.1	60%	0.6	34%	0.34	S	S	*	.	H	α-helix	trans	-62.5	-41	175.7	171.9	0	0	0	0	111.5	G341 H343 L348 A349	G341-V345 VanDerWaalsContact O-CG2 3.31Å; G341-V345 WeakPolarHBondContact O-CG2 3.43Å; G341-V345 PolarHBondContact O-N 2.98Å; H343-V345 VanDerWaalsContact C-N 3.31Å; H343-V345 PolarHBondContact O-N 3.36Å; V345-L348 PolarHBondContact O-N 2.88Å; V345-A349 WeakPolarHBondContact O-CB 3.23Å; V345-A349 PolarHBondContact O-N 3.26Å
346	K	91.4	Very high	86.3	Confident	102 Å²	102	60.8 Å²	60.8	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-46.6	176.6	-178.7	-177.6	176.9	-64.3	0	111.9	S342 H343 Q344 L348 A349 D350	S342-K346 PolarHBondContact O-N 3.26Å; S342-K346 VanDerWaalsContact O-N 3.08Å; H343-K346 WeakPolarHBondContact O-CB 3.5Å; H343-K346 PolarHBondContact O-N 3.45Å; H343-K346 VanDerWaalsContact O-N 3.11Å; Q344-K346 PolarHBondContact O-N 3.41Å; K346-L348 VanDerWaalsContact C-N 3.35Å; K346-L348 PolarHBondContact O-N 3.43Å; K346-A349 PolarHBondContact O-N 2.87Å; K346-D350 IonicContact NZ-OD2 2.84Å; K346-D350 PolarHBondContact NZ-OD2 3.48Å; K346-D350 WeakPolarHBondContact O-CB 3.34Å; K346-D350 PolarHBondContact O-N 3.39Å
347	I	91.9	Very high	87.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-42.4	179.1	-63.9	-59.7	0	0	0	111	L322 F329 H343 Q344 D350 M351 F383	L322-I347 HydrophobicContact CD1-CG2 4.33Å; L322-I347 HydrophobicContact CD2-CG2 4.43Å; F329-I347 HydrophobicContact CD2-CD1 4.05Å; F329-I347 HydrophobicContact CD2-CG1 4.47Å; F329-I347 HydrophobicContact CD2-CG2 4.45Å; F329-I347 HydrophobicContact CE2-CG2 4.48Å; H343-I347 PolarHBondContact O-N 3.21Å; Q344-I347 PolarHBondContact O-N 3.11Å; I347-D350 PolarHBondContact O-N 3.02Å; I347-M351 WeakPolarHBondContact O-CB 3.31Å; I347-M351 PolarHBondContact O-N 3.4Å; I347-F383 HydrophobicContact CD1-CE1 4.07Å; I347-F383 HydrophobicContact CG2-CE1 4.28Å; I347-F383 HydrophobicContact CG2-CZ 4.42Å
348	L	92	Very high	89.2	Confident	53 Å²	53	57.8 Å²	57.8	28%	0.277	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-36.7	176.1	-70.5	176.6	0	0	0	112.7	V323 Y328 Q344 V345 K346 M351 D352	V323-L348 HydrophobicContact CG2-CD2 4.35Å; Y328-L348 HydrophobicContact CD1-CG 4.43Å; Y328-L348 HydrophobicContact CE1-CD1 4.03Å; Y328-L348 HydrophobicContact CE1-CD2 4.02Å; Y328-L348 HydrophobicContact CE1-CG 3.92Å; Q344-L348 WeakPolarHBondContact O-CG 3.49Å; Q344-L348 PolarHBondContact O-N 3.46Å; V345-L348 PolarHBondContact O-N 2.88Å; K346-L348 VanDerWaalsContact C-N 3.35Å; K346-L348 PolarHBondContact O-N 3.43Å; L348-M351 HydrophobicContact CD2-CE 3.84Å; L348-M351 HydrophobicContact CD2-SD 4.32Å; L348-M351 WeakPolarHBondContact O-CB 3.44Å; L348-M351 PolarHBondContact O-N 3.03Å; L348-D352 WeakPolarHBondContact O-CB 3.49Å; L348-D352 PolarHBondContact O-N 3.27Å
349	A	93.4	Very high	90.2	Very high	57 Å²	57	55.5 Å²	55.5	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-41.7	174.8	0	0	0	0	0	111.9	V345 K346 D352 L353	V345-A349 WeakPolarHBondContact O-CB 3.23Å; V345-A349 PolarHBondContact O-N 3.26Å; K346-A349 PolarHBondContact O-N 2.87Å; A349-D352 PolarHBondContact O-N 3.42Å; A349-L353 WeakPolarHBondContact O-CB 3.18Å; A349-L353 PolarHBondContact O-N 2.86Å
350	D	94.5	Very high	90.9	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-38	175.6	-76.6	-23.2	0	0	0	110.9	K346 I347 L353 L354 F383 V387 K391	K346-D350 IonicContact NZ-OD2 2.84Å; K346-D350 PolarHBondContact NZ-OD2 3.48Å; K346-D350 WeakPolarHBondContact O-CB 3.34Å; K346-D350 PolarHBondContact O-N 3.39Å; I347-D350 PolarHBondContact O-N 3.02Å; D350-L353 WeakPolarHBondContact O-CB 3.39Å; D350-L353 PolarHBondContact O-N 3.46Å; D350-L354 WeakPolarHBondContact O-CG 3.45Å; D350-L354 PolarHBondContact O-N 3.19Å; D350-F383 HydrophobicContact CB-CE1 3.91Å; D350-F383 HydrophobicContact CB-CZ 3.86Å; D350-V387 HydrophobicContact CB-CG1 3.93Å; D350-V387 HydrophobicContact CB-CG2 3.77Å; D350-V387 WeakPolarHBondContact OD1-CG1 3.31Å; D350-K391 WeakPolarHBondContact OD1-CE 3.39Å; D350-K391 IonicContact OD1-NZ 3.63Å; D350-K391 PolarHBondContact OD1-NZ 3.02Å; D350-K391 IonicContact OD2-NZ 3.77Å
351	M	93.7	Very high	91.4	Very high	9 Å²	9	52.4 Å²	52.4	4%	0.044	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-46.6	171.8	176.4	-165	71.3	0	0	111.1	L318 R319 L322 I347 L348 L353 L354 C355 F383	L318-M351 HydrophobicContact CD2-CG 3.72Å; L318-M351 HydrophobicContact CG-CG 3.95Å; R319-M351 HydrophobicContact CB-SD 3.81Å; R319-M351 HydrophobicContact CG-SD 4.1Å; L322-M351 HydrophobicContact CD1-CB 3.66Å; L322-M351 HydrophobicContact CD1-CG 3.67Å; L322-M351 HydrophobicContact CD1-SD 3.94Å; I347-M351 WeakPolarHBondContact O-CB 3.31Å; I347-M351 PolarHBondContact O-N 3.4Å; L348-M351 HydrophobicContact CD2-CE 3.84Å; L348-M351 HydrophobicContact CD2-SD 4.32Å; L348-M351 WeakPolarHBondContact O-CB 3.44Å; L348-M351 PolarHBondContact O-N 3.03Å; M351-L353 VanDerWaalsContact C-N 3.31Å; M351-L353 PolarHBondContact O-N 2.9Å; M351-L354 PolarHBondContact O-N 3.18Å; M351-C355 PolarHBondContact O-N 3.36Å; M351-C355 PolarHBondContact O-SG 2.97Å; M351-F383 HydrophobicContact CB-CE2 4.46Å; M351-F383 HydrophobicContact CB-CZ 4.32Å
352	D	93.5	Very high	92	Very high	47 Å²	47	54.2 Å²	54.2	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-39.9	178.8	-160.5	62.3	0	0	0	111.3	R315 L348 A349 L354 C355 Q356	R315-D352 IonicContact CZ-OD1 3.39Å; R315-D352 IonicContact NE-OD1 3.97Å; R315-D352 IonicContact NH2-OD1 3.83Å; R315-D352 PolarHBondContact NH2-OD1 3.23Å; L348-D352 WeakPolarHBondContact O-CB 3.49Å; L348-D352 PolarHBondContact O-N 3.27Å; A349-D352 PolarHBondContact O-N 3.42Å; D352-L354 PolarHBondContact O-N 3.43Å; D352-C355 PolarHBondContact O-N 3.47Å; D352-Q356 VanDerWaalsContact O-CG 3.28Å; D352-Q356 WeakPolarHBondContact O-CG 3.47Å; D352-Q356 PolarHBondContact O-N 2.91Å; D352-Q356 PolarHBondContact OD2-NE2 2.9Å
353	L	94.2	Very high	92.3	Very high	31 Å²	31	50.8 Å²	50.8	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-47	173.4	178.5	64.9	0	0	0	111.9	A349 D350 M351 Q356 R357 V390 K391 L394	A349-L353 WeakPolarHBondContact O-CB 3.18Å; A349-L353 PolarHBondContact O-N 2.86Å; D350-L353 WeakPolarHBondContact O-CB 3.39Å; D350-L353 PolarHBondContact O-N 3.46Å; M351-L353 VanDerWaalsContact C-N 3.31Å; M351-L353 PolarHBondContact O-N 2.9Å; L353-Q356 PolarHBondContact O-N 2.94Å; L353-R357 HydrophobicContact CD1-CG 4.15Å; L353-R357 WeakPolarHBondContact O-CB 3.49Å; L353-R357 VanDerWaalsContact O-CG 3.31Å; L353-R357 WeakPolarHBondContact O-CG 3.44Å; L353-R357 PolarHBondContact O-N 3.34Å; L353-V390 HydrophobicContact CD1-CG1 4.4Å; L353-V390 HydrophobicContact CD2-CG1 4.35Å; L353-V390 HydrophobicContact CG-CG1 4.08Å; L353-K391 HydrophobicContact CD2-CD 4.37Å; L353-K391 HydrophobicContact CD2-CG 3.75Å; L353-L394 HydrophobicContact CD1-CD1 3.86Å
354	L	94.1	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-45.1	176	-68.2	-175.2	0	0	0	111.3	D350 M351 D352 Q356 R357 L358 L366 F383 K386 V387 V390	D350-L354 WeakPolarHBondContact O-CG 3.45Å; D350-L354 PolarHBondContact O-N 3.19Å; M351-L354 PolarHBondContact O-N 3.18Å; D352-L354 PolarHBondContact O-N 3.43Å; L354-Q356 PolarHBondContact O-N 3.13Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.11Å; L354-L358 HydrophobicContact CB-CD1 4.2Å; L354-L358 HydrophobicContact CD2-CD1 4.07Å; L354-L358 HydrophobicContact CD2-CG 4.41Å; L354-L358 WeakPolarHBondContact O-CB 3.36Å; L354-L358 PolarHBondContact O-N 3.31Å; L354-L366 HydrophobicContact CD1-CD2 3.57Å; L354-F383 HydrophobicContact CD1-CD2 3.88Å; L354-F383 HydrophobicContact CD1-CE2 3.58Å; L354-F383 HydrophobicContact CD1-CZ 4.37Å; L354-K386 HydrophobicContact CD2-CG 4.15Å; L354-V387 HydrophobicContact CD1-CG2 3.83Å; L354-V387 HydrophobicContact CD2-CG2 4.12Å; L354-V387 HydrophobicContact CG-CG2 3.9Å; L354-V390 HydrophobicContact CD2-CB 4.14Å; L354-V390 HydrophobicContact CD2-CG2 3.64Å
355	C	93.2	Very high	92.9	Very high	24 Å²	24	53.3 Å²	53.3	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-27.9	178.3	-68	0	0	0	0	113.4	R315 M351 D352	R315-C355 HydrophobicContact CG-CB 4.48Å; M351-C355 PolarHBondContact O-N 3.36Å; M351-C355 PolarHBondContact O-SG 2.97Å; D352-C355 PolarHBondContact O-N 3.47Å
356	Q	91.2	Very high	93.1	Very high	123 Å²	123	49 Å²	49	58%	0.575	26%	0.258	S	S	*	.	H	α-helix	trans	-82.4	-21.8	177.5	-72.3	177.5	30.8	0	0	113.5	D352 L353 L354	D352-Q356 VanDerWaalsContact O-CG 3.28Å; D352-Q356 WeakPolarHBondContact O-CG 3.47Å; D352-Q356 PolarHBondContact O-N 2.91Å; D352-Q356 PolarHBondContact OD2-NE2 2.9Å; L353-Q356 PolarHBondContact O-N 2.94Å; L354-Q356 PolarHBondContact O-N 3.13Å
357	R	92.5	Very high	93.2	Very high	144 Å²	144	44.1 Å²	44.1	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-116.2	-33	-166.5	-63.7	-61.4	178	170.9	-0.7	114.3	L353 L354 V390	L353-R357 HydrophobicContact CD1-CG 4.15Å; L353-R357 WeakPolarHBondContact O-CB 3.49Å; L353-R357 VanDerWaalsContact O-CG 3.31Å; L353-R357 WeakPolarHBondContact O-CG 3.44Å; L353-R357 PolarHBondContact O-N 3.34Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.11Å; R357-V390 HydrophobicContact CB-CG1 3.69Å; R357-V390 HydrophobicContact CG-CG1 3.77Å
358	L	92.9	Very high	93.3	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	26%	0.257	C	S	.	.	S	Bend	trans	-80.2	141.7	177.2	-64.6	-176.2	0	0	0	110.2	L354 Q362 L363 L366 K386 V390	L354-L358 HydrophobicContact CB-CD1 4.2Å; L354-L358 HydrophobicContact CD2-CD1 4.07Å; L354-L358 HydrophobicContact CD2-CG 4.41Å; L354-L358 WeakPolarHBondContact O-CB 3.36Å; L354-L358 PolarHBondContact O-N 3.31Å; L358-Q362 HydrophobicContact CB-CB 3.91Å; L358-Q362 HydrophobicContact CD2-CB 4.16Å; L358-Q362 HydrophobicContact CG-CB 4.42Å; L358-L363 HydrophobicContact CB-CD2 3.84Å; L358-L363 HydrophobicContact CB-CG 3.72Å; L358-L363 HydrophobicContact CD1-CD2 3.97Å; L358-L363 HydrophobicContact CG-CD2 4.44Å; L358-L366 HydrophobicContact CD1-CD2 4.17Å; L358-K386 HydrophobicContact CD1-CG 4.16Å; L358-V390 HydrophobicContact CD2-CG2 3.93Å; L358-V390 HydrophobicContact CG-CG2 4.38Å
359	S	93.3	Very high	93.4	Very high	58 Å²	58	51.9 Å²	51.9	41%	0.406	27%	0.267	S	S	.	.			trans	-64.3	160.9	169.4	73.7	0	0	0	0	110.6	A361 Q362 L363	S359-A361 PolarHBondContact O-N 3.33Å; S359-Q362 PolarHBondContact O-N 3.01Å; S359-Q362 WeakPolarHBondContact OG-CG 3.45Å; S359-Q362 PolarHBondContact OG-N 2.87Å; S359-Q362 PolarHBondContact OG-OE1 2.89Å; S359-L363 PolarHBondContact O-N 3.09Å
360	N	91.1	Very high	93.2	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-38	175.6	-70.8	-15.4	0	0	0	111.8	N307 E310 A311 H364	N307-N360 PolarHBondContact O-ND2 3.21Å; N307-N360 PolarHBondContact OD1-ND2 3.06Å; E310-N360 HydrophobicContact CB-CB 4.3Å; E310-N360 WeakPolarHBondContact CB-ND2 3.33Å; A311-N360 VanDerWaalsContact CA-OD1 3.29Å; A311-N360 WeakPolarHBondContact CA-OD1 3.35Å; A311-N360 VanDerWaalsContact CB-OD1 3.3Å; A311-N360 WeakPolarHBondContact CB-OD1 3.27Å; N360-H364 WeakPolarHBondContact O-CB 3.47Å; N360-H364 PolarHBondContact O-N 3.33Å
361	A	92.2	Very high	93	Very high	73 Å²	73	53.8 Å²	53.8	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-64.6	-42.5	175.5	0	0	0	0	0	112.5	S359 H364 E365	S359-A361 PolarHBondContact O-N 3.33Å; A361-H364 WeakPolarHBondContact O-CB 3.38Å; A361-H364 PolarHBondContact O-N 2.88Å; A361-E365 PolarHBondContact O-N 3.17Å
362	Q	94.8	Very high	92.8	Very high	76 Å²	76	59 Å²	59	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-71.3	-34.3	178.5	-71.7	173.7	-44.1	0	0	112.9	L358 S359 H364 L366	L358-Q362 HydrophobicContact CB-CB 3.91Å; L358-Q362 HydrophobicContact CD2-CB 4.16Å; L358-Q362 HydrophobicContact CG-CB 4.42Å; S359-Q362 PolarHBondContact O-N 3.01Å; S359-Q362 WeakPolarHBondContact OG-CG 3.45Å; S359-Q362 PolarHBondContact OG-N 2.87Å; S359-Q362 PolarHBondContact OG-OE1 2.89Å; Q362-H364 VanDerWaalsContact C-N 3.35Å; Q362-L366 WeakPolarHBondContact O-CB 3.29Å; Q362-L366 PolarHBondContact O-N 3.37Å
363	L	93.1	Very high	92.6	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-41.1	172.5	-73.8	171	0	0	0	110.9	E314 L318 L358 S359 L366 N367	E314-L363 HydrophobicContact CB-CB 3.77Å; E314-L363 HydrophobicContact CB-CD1 4.32Å; E314-L363 HydrophobicContact CG-CB 4.23Å; L318-L363 HydrophobicContact CD2-CD2 4.32Å; L358-L363 HydrophobicContact CB-CD2 3.84Å; L358-L363 HydrophobicContact CB-CG 3.72Å; L358-L363 HydrophobicContact CD1-CD2 3.97Å; L358-L363 HydrophobicContact CG-CD2 4.44Å; S359-L363 PolarHBondContact O-N 3.09Å; L363-L366 PolarHBondContact O-N 3.02Å; L363-N367 WeakPolarHBondContact O-CB 3.28Å; L363-N367 PolarHBondContact O-N 3.27Å; L363-N367 PolarHBondContact O-ND2 3.33Å
364	H	94	Very high	92	Very high	80 Å²	80	63.4 Å²	63.4	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-48.7	175.3	-174	62.3	0	0	0	111.8	E314 N360 A361 Q362 L366 N367 E368	E314-H364 HydrophobicContact CG-CB 4.31Å; E314-H364 IonicContact OE1-CG 2.79Å; E314-H364 IonicContact OE1-ND1 2.69Å; E314-H364 PolarHBondContact OE1-ND1 3.36Å; E314-H364 VanDerWaalsContact OE2-CA 3.24Å; E314-H364 WeakPolarHBondContact OE2-CA 3.31Å; E314-H364 IonicContact OE2-CG 2.64Å; E314-H364 IonicContact OE2-ND1 2.86Å; E314-H364 PolarHBondContact OE2-ND1 3.35Å; N360-H364 WeakPolarHBondContact O-CB 3.47Å; N360-H364 PolarHBondContact O-N 3.33Å; A361-H364 WeakPolarHBondContact O-CB 3.38Å; A361-H364 PolarHBondContact O-N 2.88Å; Q362-H364 VanDerWaalsContact C-N 3.35Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 3.43Å; H364-N367 WeakPolarHBondContact O-CB 3.43Å; H364-N367 PolarHBondContact O-N 3.44Å; H364-E368 WeakPolarHBondContact O-CB 3.27Å; H364-E368 PolarHBondContact O-N 2.95Å
365	E	94.7	Very high	91.6	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-57.2	-46	175	-179.5	-174.9	-163.7	0	0	111.7	A361 N367 E368 Y369	A361-E365 PolarHBondContact O-N 3.17Å; E365-N367 PolarHBondContact O-N 2.93Å; E365-E368 PolarHBondContact O-N 3.44Å; E365-Y369 HydrophobicContact CG-CD2 3.78Å; E365-Y369 HydrophobicContact CG-CE2 3.52Å; E365-Y369 WeakPolarHBondContact O-CD2 3.44Å; E365-Y369 PolarHBondContact O-N 2.94Å
366	L	93.9	Very high	91.2	Very high	7 Å²	7	67 Å²	67	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.8	177.7	65.1	0	0	0	112.1	L318 L354 L358 Q362 L363 H364 E368 Y369 L370 I382 K386	L318-L366 HydrophobicContact CD1-CD2 4.25Å; L354-L366 HydrophobicContact CD1-CD2 3.57Å; L358-L366 HydrophobicContact CD1-CD2 4.17Å; Q362-L366 WeakPolarHBondContact O-CB 3.29Å; Q362-L366 PolarHBondContact O-N 3.37Å; L363-L366 PolarHBondContact O-N 3.02Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 3.43Å; L366-E368 VanDerWaalsContact C-N 3.33Å; L366-Y369 PolarHBondContact O-N 2.73Å; L366-L370 HydrophobicContact CD1-CD1 4.16Å; L366-L370 HydrophobicContact CD1-CG 4.18Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.43Å; L366-L370 WeakPolarHBondContact O-CB 3.43Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.48Å; L366-L370 PolarHBondContact O-N 2.77Å; L366-I382 HydrophobicContact CD1-CG2 4.13Å; L366-K386 HydrophobicContact CD1-CB 4.29Å; L366-K386 HydrophobicContact CD1-CG 4.29Å; L366-K386 HydrophobicContact CD2-CG 4.31Å
367	N	93.7	Very high	91	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-46.1	177.3	-74.7	-24.4	0	0	0	110.8	E314 Q317 L318 L321 L363 H364 E365 Y369 L370 E371	E314-N367 WeakPolarHBondContact CA-ND2 3.29Å; E314-N367 PolarHBondContact O-ND2 2.91Å; E314-N367 PolarHBondContact OE2-ND2 3.48Å; Q317-N367 HydrophobicContact CG-CB 4.01Å; L318-N367 WeakPolarHBondContact CA-OD1 3.49Å; L318-N367 WeakPolarHBondContact CB-OD1 3.46Å; L318-N367 WeakPolarHBondContact CD1-OD1 3.27Å; L318-N367 PolarHBondContact N-OD1 3.02Å; L321-N367 HydrophobicContact CD1-CB 4.23Å; L321-N367 WeakPolarHBondContact CD1-O 3.49Å; L363-N367 WeakPolarHBondContact O-CB 3.28Å; L363-N367 PolarHBondContact O-N 3.27Å; L363-N367 PolarHBondContact O-ND2 3.33Å; H364-N367 WeakPolarHBondContact O-CB 3.43Å; H364-N367 PolarHBondContact O-N 3.44Å; E365-N367 PolarHBondContact O-N 2.93Å; N367-Y369 PolarHBondContact O-N 3.25Å; N367-L370 PolarHBondContact O-N 3.17Å; N367-E371 WeakPolarHBondContact O-CB 3.38Å; N367-E371 PolarHBondContact O-N 3.11Å
368	E	94	Very high	90.8	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-46	178.3	-160.4	-167.8	159.4	0	0	111.4	H364 E365 L366 L370 E371 Q372	H364-E368 WeakPolarHBondContact O-CB 3.27Å; H364-E368 PolarHBondContact O-N 2.95Å; E365-E368 PolarHBondContact O-N 3.44Å; L366-E368 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.31Å; E368-E371 PolarHBondContact O-N 3.18Å; E368-Q372 WeakPolarHBondContact O-CB 3.14Å; E368-Q372 VanDerWaalsContact O-CG 3.29Å; E368-Q372 WeakPolarHBondContact O-CG 3.47Å; E368-Q372 PolarHBondContact O-N 3.47Å; E368-Q372 PolarHBondContact OE1-NE2 2.96Å
369	Y	92.9	Very high	90.6	Very high	126 Å²	126	64 Å²	64	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-40.9	176.5	-83.5	-59.8	0	0	0	113.2	E365 L366 N367 T373	E365-Y369 HydrophobicContact CG-CD2 3.78Å; E365-Y369 HydrophobicContact CG-CE2 3.52Å; E365-Y369 WeakPolarHBondContact O-CD2 3.44Å; E365-Y369 PolarHBondContact O-N 2.94Å; L366-Y369 PolarHBondContact O-N 2.73Å; N367-Y369 PolarHBondContact O-N 3.25Å; Y369-T373 PolarHBondContact O-N 3.21Å; Y369-T373 PolarHBondContact O-OG1 3.02Å
370	L	90.9	Very high	90.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-37.1	178.5	-72.6	176.1	0	0	0	111.7	L318 L321 L366 N367 E368 T373 A379 I382 F383	L318-L370 HydrophobicContact CD1-CD1 3.61Å; L321-L370 HydrophobicContact CD1-CB 3.88Å; L366-L370 HydrophobicContact CD1-CD1 4.16Å; L366-L370 HydrophobicContact CD1-CG 4.18Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.43Å; L366-L370 WeakPolarHBondContact O-CB 3.43Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.48Å; L366-L370 PolarHBondContact O-N 2.77Å; N367-L370 PolarHBondContact O-N 3.17Å; E368-L370 PolarHBondContact O-N 3.31Å; L370-T373 PolarHBondContact O-N 2.94Å; L370-A379 HydrophobicContact CD2-CB 4.01Å; L370-A379 WeakPolarHBondContact CD2-O 3.26Å; L370-I382 HydrophobicContact CD2-CB 4.31Å; L370-I382 HydrophobicContact CD2-CG2 4.23Å; L370-F383 HydrophobicContact CD2-CB 4.32Å
371	E	89.6	Confident	90.6	Very high	107 Å²	107	71.6 Å²	71.6	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-68.5	-36.7	177.7	-169.4	165.3	-169.9	0	0	112.2	Q317 L321 N367 E368 T373	Q317-E371 PolarHBondContact NE2-OE2 3.3Å; L321-E371 HydrophobicContact CD1-CB 4.44Å; L321-E371 HydrophobicContact CD2-CB 4.08Å; L321-E371 HydrophobicContact CD2-CG 4.32Å; N367-E371 WeakPolarHBondContact O-CB 3.38Å; N367-E371 PolarHBondContact O-N 3.11Å; E368-E371 PolarHBondContact O-N 3.18Å; E371-T373 PolarHBondContact O-N 3.04Å
372	Q	89.9	Confident	90.6	Very high	118 Å²	118	71.1 Å²	71.1	55%	0.551	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.7	175.8	-69.1	174.5	14.4	0	0	114.1	E368	E368-Q372 WeakPolarHBondContact O-CB 3.14Å; E368-Q372 VanDerWaalsContact O-CG 3.29Å; E368-Q372 WeakPolarHBondContact O-CG 3.47Å; E368-Q372 PolarHBondContact O-N 3.47Å; E368-Q372 PolarHBondContact OE1-NE2 2.96Å
373	T	88.7	Confident	90.5	Very high	18 Å²	18	67.5 Å²	67.5	11%	0.11	32%	0.32	C	S	.	.			trans	-95.2	117.2	-175	-61.9	0	0	0	0	112.2	Y369 L370 E371 T375 K378 A379	Y369-T373 PolarHBondContact O-N 3.21Å; Y369-T373 PolarHBondContact O-OG1 3.02Å; L370-T373 PolarHBondContact O-N 2.94Å; E371-T373 PolarHBondContact O-N 3.04Å; T373-T375 WeakPolarHBondContact CG2-O 3.49Å; T373-T375 PolarHBondContact O-N 3.16Å; T373-K378 HydrophobicContact CG2-CB 3.46Å; T373-K378 VanDerWaalsContact CG2-CB 3.46Å; T373-A379 HydrophobicContact CG2-CB 3.92Å
374	D	80.9	Confident	90.5	Very high	152 Å²	152	68.3 Å²	68.3	81%	0.813	33%	0.326	S	S	*	.			trans	-71.9	-24	-176.1	-50.7	-45.5	0	0	0	114.9
375	T	85.3	Confident	90.5	Very high	61 Å²	61	67.2 Å²	67.2	37%	0.374	33%	0.331	S	S	.	.			trans	-120.5	128	-169.1	-1.3	0	0	0	0	111.5	T373 D377 K378 A379	T373-T375 WeakPolarHBondContact CG2-O 3.49Å; T373-T375 PolarHBondContact O-N 3.16Å; T375-D377 VanDerWaalsContact C-N 3.26Å; T375-D377 PolarHBondContact O-N 2.94Å; T375-K378 PolarHBondContact O-N 3.12Å; T375-K378 WeakPolarHBondContact OG1-CD 3.47Å; T375-A379 PolarHBondContact O-N 2.9Å; T375-A379 VanDerWaalsContact O-N 3.09Å
376	S	85.4	Confident	90.5	Very high	40 Å²	40	65.8 Å²	65.8	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-52.8	-40.9	179.6	-172.7	0	0	0	0	112.8	K378 A379 H380	S376-K378 PolarHBondContact O-N 3.31Å; S376-A379 PolarHBondContact O-N 2.88Å; S376-H380 WeakPolarHBondContact O-CB 3.3Å; S376-H380 PolarHBondContact O-N 2.72Å
377	D	87.1	Confident	90.6	Very high	99 Å²	99	65.6 Å²	65.6	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-38.6	177.6	-69.1	-39.6	0	0	0	113.4	T375 R381	T375-D377 VanDerWaalsContact C-N 3.26Å; T375-D377 PolarHBondContact O-N 2.94Å; D377-R381 WeakPolarHBondContact O-CG 3.17Å; D377-R381 PolarHBondContact O-N 2.99Å; D377-R381 VanDerWaalsContact O-N 3.13Å
378	K	87.9	Confident	90.6	Very high	119 Å²	119	71.9 Å²	71.9	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-67.9	-43.7	176.9	-69.7	-176.1	-171.3	171.2	0	110.1	T373 T375 S376 H380 R381 I382	T373-K378 HydrophobicContact CG2-CB 3.46Å; T373-K378 VanDerWaalsContact CG2-CB 3.46Å; T375-K378 PolarHBondContact O-N 3.12Å; T375-K378 WeakPolarHBondContact OG1-CD 3.47Å; S376-K378 PolarHBondContact O-N 3.31Å; K378-H380 VanDerWaalsContact C-N 3.32Å; K378-H380 PolarHBondContact O-N 2.94Å; K378-R381 PolarHBondContact O-N 3.37Å; K378-I382 WeakPolarHBondContact O-CG1 3.3Å; K378-I382 PolarHBondContact O-N 3.1Å
379	A	90.2	Very high	90.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-41.2	177.4	0	0	0	0	0	111.2	F326 F329 L370 T373 T375 S376 R381 I382 F383	F326-A379 HydrophobicContact CD1-CB 4.23Å; F326-A379 HydrophobicContact CD2-CB 4.12Å; F326-A379 HydrophobicContact CE1-CB 3.77Å; F326-A379 HydrophobicContact CE2-CB 3.66Å; F326-A379 HydrophobicContact CG-CB 4.4Å; F326-A379 HydrophobicContact CZ-CB 3.47Å; F326-A379 VanDerWaalsContact CZ-CB 3.47Å; F329-A379 HydrophobicContact CE1-CB 3.77Å; F329-A379 HydrophobicContact CZ-CB 4.44Å; L370-A379 HydrophobicContact CD2-CB 4.01Å; L370-A379 WeakPolarHBondContact CD2-O 3.26Å; T373-A379 HydrophobicContact CG2-CB 3.92Å; T375-A379 PolarHBondContact O-N 2.9Å; T375-A379 VanDerWaalsContact O-N 3.09Å; S376-A379 PolarHBondContact O-N 2.88Å; A379-R381 VanDerWaalsContact C-N 3.34Å; A379-R381 PolarHBondContact O-N 2.95Å; A379-I382 PolarHBondContact O-N 3.28Å; A379-F383 WeakPolarHBondContact O-CB 3.42Å; A379-F383 PolarHBondContact O-N 2.99Å
380	H	91.2	Very high	90.6	Very high	56 Å²	56	64.8 Å²	64.8	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-41.2	175.4	-172.2	67.1	0	0	0	112.6	F329 S376 K378 S384	F329-H380 HydrophobicContact CB-CB 4.16Å; F329-H380 WeakPolarHBondContact CB-ND1 3.4Å; F329-H380 HydrophobicContact CD1-CB 3.68Å; F329-H380 HydrophobicContact CD2-CB 4.26Å; F329-H380 AromaticContact CD2-ND1 3.16Å; F329-H380 WeakPolarHBondContact CD2-ND1 3.48Å; F329-H380 HydrophobicContact CE1-CB 4.08Å; F329-H380 AromaticContact CE2-ND1 3.8Å; F329-H380 HydrophobicContact CG-CB 3.78Å; F329-H380 AromaticContact CG-CG 3.89Å; F329-H380 AromaticContact CG-ND1 3.31Å; F329-H380 VanDerWaalsContact CG-ND1 3.31Å; F329-H380 WeakPolarHBondContact CG-ND1 3.28Å; F329-H380 HydrophobicContact CZ-CB 4.48Å; S376-H380 WeakPolarHBondContact O-CB 3.3Å; S376-H380 PolarHBondContact O-N 2.72Å; K378-H380 VanDerWaalsContact C-N 3.32Å; K378-H380 PolarHBondContact O-N 2.94Å; H380-S384 WeakPolarHBondContact O-CB 3.44Å; H380-S384 PolarHBondContact O-N 3.32Å; H380-S384 PolarHBondContact O-OG 3.43Å
381	R	91.7	Very high	90.7	Very high	189 Å²	189	68.3 Å²	68.3	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-44.9	176.5	-72.3	175.1	-172.4	-176.4	3.2	111.8	D377 K378 A379 A385	D377-R381 WeakPolarHBondContact O-CG 3.17Å; D377-R381 PolarHBondContact O-N 2.99Å; D377-R381 VanDerWaalsContact O-N 3.13Å; K378-R381 PolarHBondContact O-N 3.37Å; A379-R381 VanDerWaalsContact C-N 3.34Å; A379-R381 PolarHBondContact O-N 2.95Å; R381-A385 WeakPolarHBondContact O-CB 3.36Å; R381-A385 PolarHBondContact O-N 2.92Å
382	I	92	Very high	90.7	Very high	63 Å²	63	69.5 Å²	69.5	32%	0.323	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-50.3	178.2	-66.7	166.1	0	0	0	110.3	L366 L370 K378 A379 A385 K386	L366-I382 HydrophobicContact CD1-CG2 4.13Å; L370-I382 HydrophobicContact CD2-CB 4.31Å; L370-I382 HydrophobicContact CD2-CG2 4.23Å; K378-I382 WeakPolarHBondContact O-CG1 3.3Å; K378-I382 PolarHBondContact O-N 3.1Å; A379-I382 PolarHBondContact O-N 3.28Å; I382-A385 PolarHBondContact O-N 3.5Å; I382-K386 PolarHBondContact O-N 2.97Å
383	F	94.2	Very high	90.6	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-51.6	178.3	175.8	-98.5	0	0	0	111.4	L322 F329 I347 D350 M351 L354 L370 A379 A385 K386 V387	L322-F383 HydrophobicContact CD1-CD2 4.3Å; L322-F383 HydrophobicContact CD1-CE2 3.66Å; L322-F383 HydrophobicContact CD1-CZ 4.04Å; L322-F383 HydrophobicContact CD2-CD2 3.91Å; L322-F383 HydrophobicContact CD2-CE2 4.05Å; L322-F383 HydrophobicContact CD2-CG 4.21Å; L322-F383 HydrophobicContact CD2-CZ 4.48Å; L322-F383 HydrophobicContact CG-CE2 4.48Å; F329-F383 HydrophobicContact CE2-CB 4.25Å; F329-F383 AromaticContact CE2-CD1 3.99Å; F329-F383 HydrophobicContact CE2-CD1 3.99Å; F329-F383 HydrophobicContact CE2-CG 4.15Å; F329-F383 HydrophobicContact CZ-CB 4.17Å; F329-F383 HydrophobicContact CZ-CG 4.47Å; I347-F383 HydrophobicContact CD1-CE1 4.07Å; I347-F383 HydrophobicContact CG2-CE1 4.28Å; I347-F383 HydrophobicContact CG2-CZ 4.42Å; D350-F383 HydrophobicContact CB-CE1 3.91Å; D350-F383 HydrophobicContact CB-CZ 3.86Å; M351-F383 HydrophobicContact CB-CE2 4.46Å; M351-F383 HydrophobicContact CB-CZ 4.32Å; L354-F383 HydrophobicContact CD1-CD2 3.88Å; L354-F383 HydrophobicContact CD1-CE2 3.58Å; L354-F383 HydrophobicContact CD1-CZ 4.37Å; L370-F383 HydrophobicContact CD2-CB 4.32Å; A379-F383 WeakPolarHBondContact O-CB 3.42Å; A379-F383 PolarHBondContact O-N 2.99Å; F383-A385 PolarHBondContact O-N 2.85Å; F383-K386 PolarHBondContact O-N 2.89Å; F383-K386 VanDerWaalsContact O-N 3.16Å; F383-V387 HydrophobicContact CD1-CG2 4.16Å; F383-V387 HydrophobicContact CE1-CG2 3.82Å; F383-V387 HydrophobicContact CE2-CG2 4.28Å; F383-V387 HydrophobicContact CZ-CG2 3.89Å; F383-V387 VanDerWaalsContact O-CG2 3.27Å; F383-V387 WeakPolarHBondContact O-CG2 3.26Å; F383-V387 PolarHBondContact O-N 2.81Å
384	S	92.6	Very high	90.5	Very high	21 Å²	21	70.5 Å²	70.5	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-39.6	-178.3	-59.4	0	0	0	0	112.1	H380 K386 V387 E388	H380-S384 WeakPolarHBondContact O-CB 3.44Å; H380-S384 PolarHBondContact O-N 3.32Å; H380-S384 PolarHBondContact O-OG 3.43Å; S384-K386 VanDerWaalsContact C-N 3.32Å; S384-K386 PolarHBondContact O-N 2.97Å; S384-V387 WeakPolarHBondContact O-CB 3.48Å; S384-V387 PolarHBondContact O-N 2.88Å; S384-E388 WeakPolarHBondContact O-CB 3.39Å; S384-E388 WeakPolarHBondContact O-CG 3.34Å; S384-E388 PolarHBondContact O-N 2.9Å
385	A	94.3	Very high	90.7	Very high	57 Å²	57	69.1 Å²	69.1	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-40	174.4	0	0	0	0	0	111.7	R381 I382 F383 E388 S389	R381-A385 WeakPolarHBondContact O-CB 3.36Å; R381-A385 PolarHBondContact O-N 2.92Å; I382-A385 PolarHBondContact O-N 3.5Å; F383-A385 PolarHBondContact O-N 2.85Å; A385-E388 PolarHBondContact O-N 3.5Å; A385-S389 WeakPolarHBondContact O-CB 3.38Å; A385-S389 PolarHBondContact O-N 3.21Å
386	K	94.1	Very high	90.2	Very high	58 Å²	58	68.1 Å²	68.1	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-67.6	-39.7	176.2	-161.6	67.5	169.9	-172.6	0	111.8	L354 L358 L366 I382 F383 S384 S389 V390	L354-K386 HydrophobicContact CD2-CG 4.15Å; L358-K386 HydrophobicContact CD1-CG 4.16Å; L366-K386 HydrophobicContact CD1-CB 4.29Å; L366-K386 HydrophobicContact CD1-CG 4.29Å; L366-K386 HydrophobicContact CD2-CG 4.31Å; I382-K386 PolarHBondContact O-N 2.97Å; F383-K386 PolarHBondContact O-N 2.89Å; F383-K386 VanDerWaalsContact O-N 3.16Å; S384-K386 VanDerWaalsContact C-N 3.32Å; S384-K386 PolarHBondContact O-N 2.97Å; K386-S389 WeakPolarHBondContact O-CB 3.46Å; K386-S389 PolarHBondContact O-N 3.29Å; K386-V390 WeakPolarHBondContact O-CG2 3.39Å; K386-V390 PolarHBondContact O-N 3.01Å
387	V	95.3	Very high	89.4	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-46.3	174.1	170.7	0	0	0	0	111	D350 L354 F383 S384 S389 V390 K391	D350-V387 HydrophobicContact CB-CG1 3.93Å; D350-V387 HydrophobicContact CB-CG2 3.77Å; D350-V387 WeakPolarHBondContact OD1-CG1 3.31Å; L354-V387 HydrophobicContact CD1-CG2 3.83Å; L354-V387 HydrophobicContact CD2-CG2 4.12Å; L354-V387 HydrophobicContact CG-CG2 3.9Å; F383-V387 HydrophobicContact CD1-CG2 4.16Å; F383-V387 HydrophobicContact CE1-CG2 3.82Å; F383-V387 HydrophobicContact CE2-CG2 4.28Å; F383-V387 HydrophobicContact CZ-CG2 3.89Å; F383-V387 VanDerWaalsContact O-CG2 3.27Å; F383-V387 WeakPolarHBondContact O-CG2 3.26Å; F383-V387 PolarHBondContact O-N 2.81Å; S384-V387 WeakPolarHBondContact O-CB 3.48Å; S384-V387 PolarHBondContact O-N 2.88Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-V390 PolarHBondContact O-N 3.48Å; V387-K391 HydrophobicContact CG1-CD 3.96Å; V387-K391 VanDerWaalsContact CG1-CE 3.5Å; V387-K391 HydrophobicContact CG1-CG 4.49Å; V387-K391 WeakPolarHBondContact O-CB 3.29Å; V387-K391 WeakPolarHBondContact O-CG 3.34Å; V387-K391 PolarHBondContact O-N 3.37Å
388	E	94	Very high	88.2	Confident	132 Å²	132	70.3 Å²	70.3	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-63.3	-40.9	176.5	-75.7	174.9	-166.9	0	0	111.4	S384 A385 V390 K391 H392	S384-E388 WeakPolarHBondContact O-CB 3.39Å; S384-E388 WeakPolarHBondContact O-CG 3.34Å; S384-E388 PolarHBondContact O-N 2.9Å; A385-E388 PolarHBondContact O-N 3.5Å; E388-V390 PolarHBondContact O-N 2.86Å; E388-K391 PolarHBondContact O-N 3.42Å; E388-H392 VanDerWaalsContact O-CB 3.27Å; E388-H392 WeakPolarHBondContact O-CB 3.5Å; E388-H392 PolarHBondContact O-N 3.08Å
389	S	93.7	Very high	86.7	Confident	63 Å²	63	69.8 Å²	69.8	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-47.4	173	-176.7	0	0	0	0	111.6	A385 K386 V387 H392 E393	A385-S389 WeakPolarHBondContact O-CB 3.38Å; A385-S389 PolarHBondContact O-N 3.21Å; K386-S389 WeakPolarHBondContact O-CB 3.46Å; K386-S389 PolarHBondContact O-N 3.29Å; V387-S389 VanDerWaalsContact C-N 3.34Å; S389-H392 PolarHBondContact O-N 3.27Å; S389-E393 WeakPolarHBondContact O-CB 3.48Å; S389-E393 PolarHBondContact O-N 2.98Å
390	V	93.4	Very high	85	Confident	4 Å²	4	76 Å²	76	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-38.9	178	168.9	0	0	0	0	111.6	L353 L354 R357 L358 K386 V387 E388 E393 L394	L353-V390 HydrophobicContact CD1-CG1 4.4Å; L353-V390 HydrophobicContact CD2-CG1 4.35Å; L353-V390 HydrophobicContact CG-CG1 4.08Å; L354-V390 HydrophobicContact CD2-CB 4.14Å; L354-V390 HydrophobicContact CD2-CG2 3.64Å; R357-V390 HydrophobicContact CB-CG1 3.69Å; R357-V390 HydrophobicContact CG-CG1 3.77Å; L358-V390 HydrophobicContact CD2-CG2 3.93Å; L358-V390 HydrophobicContact CG-CG2 4.38Å; K386-V390 WeakPolarHBondContact O-CG2 3.39Å; K386-V390 PolarHBondContact O-N 3.01Å; V387-V390 PolarHBondContact O-N 3.48Å; E388-V390 PolarHBondContact O-N 2.86Å; V390-E393 PolarHBondContact O-N 2.94Å; V390-L394 HydrophobicContact CG1-CD1 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.34Å; V390-L394 WeakPolarHBondContact O-CG 3.37Å; V390-L394 PolarHBondContact O-N 3.4Å
391	K	93.2	Very high	83.1	Confident	75 Å²	75	77.4 Å²	77.4	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-40.5	175.8	-74.7	175	-178.2	168.6	0	111.8	D350 L353 V387 E388 L394 Q395	D350-K391 WeakPolarHBondContact OD1-CE 3.39Å; D350-K391 IonicContact OD1-NZ 3.63Å; D350-K391 PolarHBondContact OD1-NZ 3.02Å; D350-K391 IonicContact OD2-NZ 3.77Å; L353-K391 HydrophobicContact CD2-CD 4.37Å; L353-K391 HydrophobicContact CD2-CG 3.75Å; V387-K391 HydrophobicContact CG1-CD 3.96Å; V387-K391 VanDerWaalsContact CG1-CE 3.5Å; V387-K391 HydrophobicContact CG1-CG 4.49Å; V387-K391 WeakPolarHBondContact O-CB 3.29Å; V387-K391 WeakPolarHBondContact O-CG 3.34Å; V387-K391 PolarHBondContact O-N 3.37Å; E388-K391 PolarHBondContact O-N 3.42Å; K391-L394 WeakPolarHBondContact O-CB 3.23Å; K391-L394 PolarHBondContact O-N 3.39Å; K391-Q395 WeakPolarHBondContact O-CG 3.44Å; K391-Q395 PolarHBondContact O-N 3.14Å
392	H	90.4	Very high	81.1	Confident	131 Å²	131	75.4 Å²	75.4	61%	0.606	39%	0.394	S	S	*	.	H	α-helix	trans	-67.1	-41.6	176.5	-172.6	-91.6	0	0	0	110.9	E388 S389 L394 Q395 A396	E388-H392 VanDerWaalsContact O-CB 3.27Å; E388-H392 WeakPolarHBondContact O-CB 3.5Å; E388-H392 PolarHBondContact O-N 3.08Å; S389-H392 PolarHBondContact O-N 3.27Å; H392-L394 VanDerWaalsContact C-N 3.31Å; H392-L394 PolarHBondContact O-N 3.04Å; H392-Q395 PolarHBondContact O-N 3.27Å; H392-A396 WeakPolarHBondContact O-CB 3.03Å; H392-A396 PolarHBondContact O-N 3.07Å
393	E	87.8	Confident	78.9	Confident	108 Å²	108	77.6 Å²	77.6	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-39.3	172.7	-168.1	-176.6	162.4	0	0	111.8	S389 V390 A396 N397	S389-E393 WeakPolarHBondContact O-CB 3.48Å; S389-E393 PolarHBondContact O-N 2.98Å; V390-E393 PolarHBondContact O-N 2.94Å; E393-A396 PolarHBondContact O-N 3.38Å; E393-N397 VanDerWaalsContact O-CB 3.3Å; E393-N397 WeakPolarHBondContact O-CB 3.5Å; E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 3.21Å; E393-N397 PolarHBondContact O-ND2 3.33Å
394	L	86.1	Confident	76.3	Confident	50 Å²	50	86.4 Å²	86.4	26%	0.262	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-40.4	174.1	-79.1	167.1	0	0	0	113	L353 V390 K391 H392 N398	L353-L394 HydrophobicContact CD1-CD1 3.86Å; V390-L394 HydrophobicContact CG1-CD1 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.34Å; V390-L394 WeakPolarHBondContact O-CG 3.37Å; V390-L394 PolarHBondContact O-N 3.4Å; K391-L394 WeakPolarHBondContact O-CB 3.23Å; K391-L394 PolarHBondContact O-N 3.39Å; H392-L394 VanDerWaalsContact C-N 3.31Å; H392-L394 PolarHBondContact O-N 3.04Å; L394-N398 WeakPolarHBondContact O-CB 3.44Å; L394-N398 PolarHBondContact O-N 3.48Å
395	Q	83.9	Confident	73.7	Confident	123 Å²	123	93.2 Å²	93.2	58%	0.575	48%	0.478	S	S	*	.	H	α-helix	trans	-67.1	-42.7	175.3	-72.8	176.9	-4.9	0	0	111.1	K391 H392 N398 L399	K391-Q395 WeakPolarHBondContact O-CG 3.44Å; K391-Q395 PolarHBondContact O-N 3.14Å; H392-Q395 PolarHBondContact O-N 3.27Å; Q395-N398 PolarHBondContact O-N 2.92Å; Q395-L399 WeakPolarHBondContact O-CB 3.46Å; Q395-L399 WeakPolarHBondContact O-CD1 3.33Å; Q395-L399 WeakPolarHBondContact O-CG 3.49Å; Q395-L399 PolarHBondContact O-N 3.4Å
396	A	76.7	Confident	70.7	Confident	39 Å²	39	98.5 Å²	98.5	32%	0.322	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175.8	0	0	0	0	0	111.8	H392 E393 L399 Q400	H392-A396 WeakPolarHBondContact O-CB 3.03Å; H392-A396 PolarHBondContact O-N 3.07Å; E393-A396 PolarHBondContact O-N 3.38Å; A396-L399 PolarHBondContact O-N 3.44Å; A396-Q400 PolarHBondContact O-N 2.87Å
397	N	66.9	Low	67.9	Low	73 Å²	73	101.5 Å²	101.5	39%	0.39	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-38	174.2	-76.2	-19.6	0	0	0	111.7	E393 Q400 T401	E393-N397 VanDerWaalsContact O-CB 3.3Å; E393-N397 WeakPolarHBondContact O-CB 3.5Å; E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 3.21Å; E393-N397 PolarHBondContact O-ND2 3.33Å; N397-Q400 PolarHBondContact O-N 2.79Å; N397-T401 WeakPolarHBondContact O-CG2 3.31Å; N397-T401 PolarHBondContact O-N 2.9Å; N397-T401 PolarHBondContact O-OG1 2.93Å
398	N	62.3	Low	65	Low	112 Å²	112	109.2 Å²	109.2	60%	0.599	55%	0.552	S	S	*	*	H	α-helix	trans	-67	-35	172.2	-96.8	2.2	0	0	0	112.8	L394 Q395 T401 Q402	L394-N398 WeakPolarHBondContact O-CB 3.44Å; L394-N398 PolarHBondContact O-N 3.48Å; Q395-N398 PolarHBondContact O-N 2.92Å; N398-T401 WeakPolarHBondContact CA-OG1 3.49Å; N398-T401 PolarHBondContact O-N 3.08Å; N398-T401 PolarHBondContact O-OG1 3.17Å; N398-Q402 WeakPolarHBondContact O-CG 3.33Å; N398-Q402 PolarHBondContact O-N 3.37Å
399	L	56.6	Low	62	Low	109 Å²	109	111.5 Å²	111.5	57%	0.571	56%	0.562	S	S	*	*	H	α-helix	trans	-71	-33.7	174.1	-80.7	152.7	0	0	0	111.7	Q395 A396 Q402 T403	Q395-L399 WeakPolarHBondContact O-CB 3.46Å; Q395-L399 WeakPolarHBondContact O-CD1 3.33Å; Q395-L399 WeakPolarHBondContact O-CG 3.49Å; Q395-L399 PolarHBondContact O-N 3.4Å; A396-L399 PolarHBondContact O-N 3.44Å; L399-Q402 PolarHBondContact O-N 2.95Å; L399-T403 WeakPolarHBondContact O-CB 3.47Å; L399-T403 WeakPolarHBondContact O-CG2 3.31Å; L399-T403 PolarHBondContact O-N 3.05Å; L399-T403 PolarHBondContact O-OG1 2.8Å
400	Q	53.8	Low	59	Low	130 Å²	130	115.9 Å²	115.9	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-72.2	-36	172	-81.1	-171.6	-11.2	0	0	112.7	A396 N397 Q402 T403 K404	A396-Q400 PolarHBondContact O-N 2.87Å; N397-Q400 PolarHBondContact O-N 2.79Å; Q400-Q402 VanDerWaalsContact C-N 3.29Å; Q400-Q402 PolarHBondContact O-N 2.82Å; Q400-T403 WeakPolarHBondContact CA-OG1 3.46Å; Q400-T403 PolarHBondContact O-N 3.32Å; Q400-K404 WeakPolarHBondContact O-CB 3.42Å; Q400-K404 PolarHBondContact O-N 2.85Å
401	T	51.6	Low	56.2	Low	85 Å²	85	120.2 Å²	120.2	52%	0.521	61%	0.608	S	S	.	*	H	α-helix	trans	-69.4	-28	172.5	56.5	0	0	0	0	112.2	N397 N398	N397-T401 WeakPolarHBondContact O-CG2 3.31Å; N397-T401 PolarHBondContact O-N 2.9Å; N397-T401 PolarHBondContact O-OG1 2.93Å; N398-T401 WeakPolarHBondContact CA-OG1 3.49Å; N398-T401 PolarHBondContact O-N 3.08Å; N398-T401 PolarHBondContact O-OG1 3.17Å
402	Q	50.1	Low	53.2	Low	147 Å²	147	121.7 Å²	121.7	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-77.9	-35.1	170.3	-73.1	-165.2	11.8	0	0	113.6	N398 L399 Q400 K404	N398-Q402 WeakPolarHBondContact O-CG 3.33Å; N398-Q402 PolarHBondContact O-N 3.37Å; L399-Q402 PolarHBondContact O-N 2.95Å; Q400-Q402 VanDerWaalsContact C-N 3.29Å; Q400-Q402 PolarHBondContact O-N 2.82Å; Q402-K404 VanDerWaalsContact C-N 3.35Å
403	T	45.4	Very low	50.3	Low	110 Å²	110	120.3 Å²	120.3	68%	0.675	63%	0.628	S	S	*	*	H	α-helix	trans	-81.3	-11.6	179.1	48.2	0	0	0	0	114.1	L399 Q400	L399-T403 WeakPolarHBondContact O-CB 3.47Å; L399-T403 WeakPolarHBondContact O-CG2 3.31Å; L399-T403 PolarHBondContact O-N 3.05Å; L399-T403 PolarHBondContact O-OG1 2.8Å; Q400-T403 WeakPolarHBondContact CA-OG1 3.46Å; Q400-T403 PolarHBondContact O-N 3.32Å
404	K	40.1	Very low	47.6	Very low	185 Å²	185	122 Å²	122	80%	0.804	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	12.7	172.3	-140.2	173.9	-174.3	178.4	0	114.7	Q400 Q402 K406	Q400-K404 WeakPolarHBondContact O-CB 3.42Å; Q400-K404 PolarHBondContact O-N 2.85Å; Q402-K404 VanDerWaalsContact C-N 3.35Å; K404-K406 PolarHBondContact O-N 3.39Å
405	Q	37.1	Very low	45.1	Very low	164 Å²	164	123.4 Å²	123.4	77%	0.766	65%	0.65	S	S	*	*			trans	-92.3	49.7	164.8	-64.2	-173.4	5.4	0	0	111.1
406	K	32.7	Very low	42.8	Very low	167 Å²	167	126.6 Å²	126.6	73%	0.726	67%	0.665	S	S	*	*	S	Bend	trans	-83	122.8	150.1	-160.7	176.1	-175.6	-176.5	0	105.1	K404 E408	K404-K406 PolarHBondContact O-N 3.39Å; K406-E408 PolarHBondContact O-N 3.17Å
407	P	35.1	Very low	40.9	Very low	121 Å²	121	130 Å²	130	79%	0.786	68%	0.682	S	S	*	*			trans	-68.7	83.4	-179.8	27.3	-32.2	0	0	0	108.4	E409	P407-E409 PolarHBondContact O-N 3.13Å
408	E	33.3	Very low	39.6	Very low	166 Å²	166	129.6 Å²	129.6	78%	0.776	68%	0.68	S	S	*	*			trans	-74.2	105.8	157.5	-71.5	-168.3	175	0	0	105.5	K406 I410	K406-E408 PolarHBondContact O-N 3.17Å; E408-I410 PolarHBondContact O-N 3.33Å
409	E	31.2	Very low	38.7	Very low	179 Å²	179	129.3 Å²	129.3	84%	0.836	69%	0.693	S	S	*	*			trans	-26.5	101.8	165.3	-64.5	173.7	165.1	0	0	109.6	P407 P411	P407-E409 PolarHBondContact O-N 3.13Å; E409-P411 WeakPolarHBondContact O-CD 3.38Å
410	I	32.4	Very low	38.5	Very low	156 Å²	156	129.3 Å²	129.3	80%	0.8	70%	0.702	S	S	*	*			trans	-64.4	109.6	168.7	-62.9	169.2	0	0	0	103.5	E408 S412	E408-I410 PolarHBondContact O-N 3.33Å; I410-S412 PolarHBondContact O-N 2.98Å
411	P	33.8	Very low	39	Very low	95 Å²	95	127 Å²	127	62%	0.617	69%	0.69	S	S	*	*			trans	-61.8	119.3	169.5	-4.4	21.8	0	0	0	102.7	E409 T413	E409-P411 WeakPolarHBondContact O-CD 3.38Å; P411-T413 PolarHBondContact O-N 2.91Å; P411-T413 PolarHBondContact O-OG1 3.37Å
412	S	30.4	Very low	40.2	Very low	105 Å²	105	125.1 Å²	125.1	73%	0.734	67%	0.673	S	S	*	*			trans	-48.7	91.1	167.6	46.9	0	0	0	0	107.5	I410 E414	I410-S412 PolarHBondContact O-N 2.98Å; S412-E414 PolarHBondContact O-N 3.23Å
413	T	29.3	Very low	41.7	Very low	102 Å²	102	121.4 Å²	121.4	63%	0.626	66%	0.661	S	S	*	*			trans	-86.1	69	-176.6	-59.3	0	0	0	0	104.3	P411 S415	P411-T413 PolarHBondContact O-N 2.91Å; P411-T413 PolarHBondContact O-OG1 3.37Å; T413-S415 VanDerWaalsContact CG2-OG 3.23Å; T413-S415 WeakPolarHBondContact CG2-OG 3.44Å; T413-S415 PolarHBondContact O-N 3.02Å
414	E	30.7	Very low	43.4	Very low	145 Å²	145	118.9 Å²	118.9	68%	0.678	65%	0.645	S	S	*	*			trans	-61.6	72.2	155	-69.6	-173.9	158.3	0	0	107.3	S412 N418	S412-E414 PolarHBondContact O-N 3.23Å; E414-N418 PolarHBondContact O-ND2 3.4Å; E414-N418 VanDerWaalsContact O-ND2 3.17Å
415	S	34.7	Very low	45.4	Very low	79 Å²	79	116.4 Å²	116.4	55%	0.552	64%	0.637	S	S	*	*			trans	-135.8	3.6	-175	-44.7	0	0	0	0	115.3	T413	T413-S415 VanDerWaalsContact CG2-OG 3.23Å; T413-S415 WeakPolarHBondContact CG2-OG 3.44Å; T413-S415 PolarHBondContact O-N 3.02Å
416	Q	35.4	Very low	47.7	Very low	190 Å²	190	108.7 Å²	108.7	89%	0.888	60%	0.6	S	S	*	*	S	Bend	trans	-130	-7.5	173.7	-70.9	-169.2	-12.5	0	0	116.8
417	T	36.6	Very low	50.3	Low	110 Å²	110	101.6 Å²	101.6	68%	0.675	57%	0.57	S	S	*	*	S	Bend	trans	-90.8	-9.9	168.2	54.9	0	0	0	0	113.3	A419 S420	T417-A419 PolarHBondContact O-N 3.47Å; T417-S420 PolarHBondContact O-N 2.89Å
418	N	38.4	Very low	52.6	Low	65 Å²	65	98.2 Å²	98.2	35%	0.348	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-75.4	-23	-170.1	-86.1	-29.1	0	0	0	115.2	E414 S420	E414-N418 PolarHBondContact O-ND2 3.4Å; E414-N418 VanDerWaalsContact O-ND2 3.17Å; N418-S420 VanDerWaalsContact C-N 3.3Å; N418-S420 PolarHBondContact O-N 3.48Å
419	A	43.6	Very low	55.3	Low	106 Å²	106	91.7 Å²	91.7	88%	0.876	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-71.3	-26.3	178.1	0	0	0	0	0	112.7	T417	T417-A419 PolarHBondContact O-N 3.47Å
420	S	52.9	Low	58.1	Low	109 Å²	109	83.2 Å²	83.2	76%	0.762	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-99.9	8.2	-174.1	-159.1	0	0	0	0	114.3	T417 N418	T417-S420 PolarHBondContact O-N 2.89Å; N418-S420 VanDerWaalsContact C-N 3.3Å; N418-S420 PolarHBondContact O-N 3.48Å
421	K	64.9	Low	60.7	Low	81 Å²	81	77.1 Å²	77.1	35%	0.352	45%	0.446	S	S	.	.	S	Bend	trans	-79.6	-30.9	-176.6	-126.2	-178.2	-173.6	-175.9	0	113.2	T423 M426	K421-T423 PolarHBondContact O-N 3.17Å; K421-M426 VanDerWaalsContact O-CE 3.31Å; K421-M426 WeakPolarHBondContact O-CE 3.43Å
422	W	75.5	Confident	63.2	Low	45 Å²	45	78.3 Å²	78.3	17%	0.17	44%	0.441	C	S	.	.			trans	-97	95.3	-172.6	-69.6	94.8	0	0	0	112.2	M426 L430 L452 V461 D465 V466 Q469	W422-M426 HydrophobicContact CD2-CE 3.63Å; W422-M426 HydrophobicContact CE3-CB 3.79Å; W422-M426 HydrophobicContact CE3-CE 3.45Å; W422-M426 VanDerWaalsContact CE3-CE 3.45Å; W422-M426 HydrophobicContact CG-CE 4.23Å; W422-M426 HydrophobicContact CH2-CE 4.13Å; W422-M426 HydrophobicContact CZ2-CE 4.32Å; W422-M426 HydrophobicContact CZ3-CB 4.23Å; W422-M426 HydrophobicContact CZ3-CE 3.7Å; W422-L430 HydrophobicContact CE3-CD2 4.46Å; W422-L430 HydrophobicContact CH2-CD2 4.24Å; W422-L430 HydrophobicContact CZ3-CB 4.38Å; W422-L430 HydrophobicContact CZ3-CD2 3.85Å; W422-L452 HydrophobicContact CH2-CD2 4Å; W422-L452 HydrophobicContact CZ3-CD2 3.69Å; W422-V461 HydrophobicContact CH2-CG1 4.17Å; W422-V461 HydrophobicContact CZ2-CG1 4Å; W422-D465 HydrophobicContact CZ2-CB 4.31Å; W422-V466 HydrophobicContact CH2-CG2 4.14Å; W422-Q469 HydrophobicContact CD2-CB 4.05Å; W422-Q469 HydrophobicContact CD2-CG 3.52Å; W422-Q469 HydrophobicContact CE3-CB 4.36Å; W422-Q469 HydrophobicContact CE3-CG 3.72Å; W422-Q469 HydrophobicContact CG-CG 3.98Å; W422-Q469 HydrophobicContact CH2-CB 4.01Å; W422-Q469 HydrophobicContact CH2-CG 4.25Å; W422-Q469 HydrophobicContact CZ2-CB 3.62Å; W422-Q469 HydrophobicContact CZ2-CG 4.04Å; W422-Q469 HydrophobicContact CZ3-CB 4.36Å; W422-Q469 HydrophobicContact CZ3-CG 4.1Å
423	T	82.3	Confident	66	Low	69 Å²	69	73.3 Å²	73.3	42%	0.423	41%	0.406	S	S	.	.			trans	-71.9	163.8	172.6	66	0	0	0	0	111.7	K421 E425 M426 I427	K421-T423 PolarHBondContact O-N 3.17Å; T423-E425 PolarHBondContact O-N 2.78Å; T423-M426 WeakPolarHBondContact O-CB 3.41Å; T423-M426 PolarHBondContact O-N 2.83Å; T423-M426 VanDerWaalsContact O-N 3.13Å; T423-M426 PolarHBondContact OG1-N 2.68Å; T423-M426 VanDerWaalsContact OG1-N 3.17Å; T423-I427 WeakPolarHBondContact O-CG1 3.41Å; T423-I427 PolarHBondContact O-N 2.82Å
424	T	81	Confident	68.8	Low	58 Å²	58	70 Å²	70	36%	0.356	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-37.8	174.8	-58.5	0	0	0	0	111.5	I427 Q428 K487	T424-I427 PolarHBondContact O-N 3.46Å; T424-Q428 WeakPolarHBondContact O-CG 3.46Å; T424-Q428 PolarHBondContact O-N 2.95Å; T424-K487 HydrophobicContact CG2-CD 3.94Å
425	E	82.4	Confident	71.3	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.621	39%	0.385	S	S	*	.	H	α-helix	trans	-64.1	-42.8	174.6	-69.7	175.6	-177.2	0	0	111.9	T423 I427 Q428 V429	T423-E425 PolarHBondContact O-N 2.78Å; E425-I427 VanDerWaalsContact C-N 3.3Å; E425-I427 PolarHBondContact O-N 3.32Å; E425-Q428 PolarHBondContact O-N 2.91Å; E425-Q428 VanDerWaalsContact O-N 3.16Å; E425-V429 WeakPolarHBondContact O-CG2 3.5Å; E425-V429 PolarHBondContact O-N 3.22Å
426	M	86.1	Confident	73.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-41.9	173.5	-85.3	175.9	61.4	0	0	112.7	K421 W422 T423 L430 L452 I456 V459 V461	K421-M426 VanDerWaalsContact O-CE 3.31Å; K421-M426 WeakPolarHBondContact O-CE 3.43Å; W422-M426 HydrophobicContact CD2-CE 3.63Å; W422-M426 HydrophobicContact CE3-CB 3.79Å; W422-M426 HydrophobicContact CE3-CE 3.45Å; W422-M426 VanDerWaalsContact CE3-CE 3.45Å; W422-M426 HydrophobicContact CG-CE 4.23Å; W422-M426 HydrophobicContact CH2-CE 4.13Å; W422-M426 HydrophobicContact CZ2-CE 4.32Å; W422-M426 HydrophobicContact CZ3-CB 4.23Å; W422-M426 HydrophobicContact CZ3-CE 3.7Å; T423-M426 WeakPolarHBondContact O-CB 3.41Å; T423-M426 PolarHBondContact O-N 2.83Å; T423-M426 VanDerWaalsContact O-N 3.13Å; T423-M426 PolarHBondContact OG1-N 2.68Å; T423-M426 VanDerWaalsContact OG1-N 3.17Å; M426-L430 VanDerWaalsContact O-CB 3.23Å; M426-L430 WeakPolarHBondContact O-CB 3.39Å; M426-L430 PolarHBondContact O-N 3.02Å; M426-L452 HydrophobicContact CB-CD2 4.44Å; M426-L452 HydrophobicContact CE-CD2 4.08Å; M426-L452 HydrophobicContact CG-CD2 4.17Å; M426-I456 HydrophobicContact CB-CD1 3.9Å; M426-I456 HydrophobicContact CG-CD1 3.26Å; M426-I456 HydrophobicContact CG-CG1 4.46Å; M426-I456 HydrophobicContact CG-CG2 3.99Å; M426-V459 HydrophobicContact CE-CG1 3.93Å; M426-V459 HydrophobicContact SD-CB 4.14Å; M426-V459 HydrophobicContact SD-CG1 3.9Å; M426-V459 HydrophobicContact SD-CG2 3.95Å; M426-V461 HydrophobicContact CE-CG1 3.81Å
427	I	86.3	Confident	76.4	Confident	18 Å²	18	62.1 Å²	62.1	9%	0.092	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-39.9	177.4	-65.4	169	0	0	0	110.8	T423 T424 E425 L430 V431 L473 A484	T423-I427 WeakPolarHBondContact O-CG1 3.41Å; T423-I427 PolarHBondContact O-N 2.82Å; T424-I427 PolarHBondContact O-N 3.46Å; E425-I427 VanDerWaalsContact C-N 3.3Å; E425-I427 PolarHBondContact O-N 3.32Å; I427-L430 WeakPolarHBondContact O-CB 3.4Å; I427-L430 PolarHBondContact O-N 3.36Å; I427-V431 WeakPolarHBondContact O-CG2 3.47Å; I427-V431 PolarHBondContact O-N 3.47Å; I427-L473 HydrophobicContact CG2-CD1 4.04Å; I427-L473 HydrophobicContact CG2-CD2 3.75Å; I427-A484 HydrophobicContact CG2-CB 4.4Å
428	Q	84.5	Confident	78.8	Confident	51 Å²	51	60.8 Å²	60.8	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-46.5	177.9	-72.9	170.5	-15.3	0	0	112.3	T424 E425 L430 V431 K432 A484	T424-Q428 WeakPolarHBondContact O-CG 3.46Å; T424-Q428 PolarHBondContact O-N 2.95Å; E425-Q428 PolarHBondContact O-N 2.91Å; E425-Q428 VanDerWaalsContact O-N 3.16Å; Q428-L430 VanDerWaalsContact C-N 3.28Å; Q428-L430 PolarHBondContact O-N 3.44Å; Q428-V431 PolarHBondContact O-N 2.91Å; Q428-K432 PolarHBondContact O-N 3.17Å; Q428-A484 HydrophobicContact CG-CB 4.3Å; Q428-A484 PolarHBondContact NE2-O 3.35Å
429	V	89.4	Confident	80.8	Confident	29 Å²	29	62.2 Å²	62.2	18%	0.176	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-36.8	175.9	177.4	0	0	0	0	110.7	E425 K432 A433 Y451 L452 H455 I456	E425-V429 WeakPolarHBondContact O-CG2 3.5Å; E425-V429 PolarHBondContact O-N 3.22Å; V429-K432 PolarHBondContact O-N 3.48Å; V429-A433 VanDerWaalsContact O-CB 3.29Å; V429-A433 WeakPolarHBondContact O-CB 3.5Å; V429-A433 PolarHBondContact O-N 3.44Å; V429-Y451 HydrophobicContact CG1-CD1 4.03Å; V429-Y451 HydrophobicContact CG1-CE1 3.87Å; V429-L452 HydrophobicContact CB-CD1 4.35Å; V429-L452 HydrophobicContact CG1-CD1 4.03Å; V429-L452 HydrophobicContact CG1-CG 4.1Å; V429-H455 HydrophobicContact CG1-CB 3.77Å; V429-H455 HydrophobicContact CG2-CB 4.48Å; V429-I456 HydrophobicContact CB-CD1 3.86Å; V429-I456 HydrophobicContact CB-CG1 4.42Å; V429-I456 HydrophobicContact CG1-CD1 4.27Å; V429-I456 HydrophobicContact CG1-CG1 4.48Å; V429-I456 HydrophobicContact CG2-CD1 3.83Å; V429-I456 HydrophobicContact CG2-CG1 4.07Å
430	L	89.6	Confident	82.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-49.5	175.2	176.7	59	0	0	0	111.8	W422 M426 I427 Q428 K432 A433 V434 I448 L452 V466 Q469 L473	W422-L430 HydrophobicContact CE3-CD2 4.46Å; W422-L430 HydrophobicContact CH2-CD2 4.24Å; W422-L430 HydrophobicContact CZ3-CB 4.38Å; W422-L430 HydrophobicContact CZ3-CD2 3.85Å; M426-L430 VanDerWaalsContact O-CB 3.23Å; M426-L430 WeakPolarHBondContact O-CB 3.39Å; M426-L430 PolarHBondContact O-N 3.02Å; I427-L430 WeakPolarHBondContact O-CB 3.4Å; I427-L430 PolarHBondContact O-N 3.36Å; Q428-L430 VanDerWaalsContact C-N 3.28Å; Q428-L430 PolarHBondContact O-N 3.44Å; L430-K432 VanDerWaalsContact C-N 3.31Å; L430-K432 PolarHBondContact O-N 3.45Å; L430-A433 PolarHBondContact O-N 3.34Å; L430-V434 HydrophobicContact CD1-CG2 4.04Å; L430-V434 HydrophobicContact CG-CG2 4.45Å; L430-V434 WeakPolarHBondContact O-CB 3.41Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.43Å; L430-V434 PolarHBondContact O-N 3.5Å; L430-I448 HydrophobicContact CD1-CG2 3.77Å; L430-L452 VanDerWaalsContact CA-CD1 3.44Å; L430-L452 HydrophobicContact CB-CD1 3.69Å; L430-L452 HydrophobicContact CD1-CD1 4.12Å; L430-V466 HydrophobicContact CD1-CG1 3.54Å; L430-Q469 HydrophobicContact CD2-CB 3.97Å; L430-Q469 HydrophobicContact CD2-CG 3.75Å; L430-L473 HydrophobicContact CD2-CD1 3.62Å; L430-L473 HydrophobicContact CG-CD1 4.49Å
431	V	86.2	Confident	84.1	Confident	28 Å²	28	58 Å²	58	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-42.9	177.9	171.1	0	0	0	0	110.7	I427 Q428 V434 N435	I427-V431 WeakPolarHBondContact O-CG2 3.47Å; I427-V431 PolarHBondContact O-N 3.47Å; Q428-V431 PolarHBondContact O-N 2.91Å; V431-V434 PolarHBondContact O-N 2.94Å; V431-N435 PolarHBondContact O-N 3.46Å; V431-N435 VanDerWaalsContact O-N 3.11Å
432	K	87.5	Confident	85.2	Confident	119 Å²	119	59.5 Å²	59.5	52%	0.517	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-48	175.7	-177.1	175.4	177.5	-178.9	0	111.7	Q428 V429 L430 V434 N435 I436 Y451	Q428-K432 PolarHBondContact O-N 3.17Å; V429-K432 PolarHBondContact O-N 3.48Å; L430-K432 VanDerWaalsContact C-N 3.31Å; L430-K432 PolarHBondContact O-N 3.45Å; K432-V434 VanDerWaalsContact C-N 3.34Å; K432-V434 PolarHBondContact O-N 2.97Å; K432-N435 PolarHBondContact O-N 2.84Å; K432-I436 HydrophobicContact CD-CD1 4.46Å; K432-I436 HydrophobicContact CG-CD1 3.76Å; K432-I436 HydrophobicContact CG-CG1 4.5Å; K432-I436 VanDerWaalsContact O-CG1 3.3Å; K432-I436 WeakPolarHBondContact O-CG1 3.36Å; K432-I436 PolarHBondContact O-N 2.85Å; K432-Y451 WeakPolarHBondContact CE-OH 3.34Å
433	A	88.2	Confident	85.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-39	179.2	0	0	0	0	0	112.5	V429 L430 N435 I436 L437 I448 Y451	V429-A433 VanDerWaalsContact O-CB 3.29Å; V429-A433 WeakPolarHBondContact O-CB 3.5Å; V429-A433 PolarHBondContact O-N 3.44Å; L430-A433 PolarHBondContact O-N 3.34Å; A433-N435 VanDerWaalsContact C-N 3.3Å; A433-N435 PolarHBondContact O-N 2.94Å; A433-I436 PolarHBondContact O-N 2.97Å; A433-L437 WeakPolarHBondContact O-CB 3.08Å; A433-L437 PolarHBondContact O-N 2.63Å; A433-I448 HydrophobicContact CB-CG1 4.44Å; A433-I448 HydrophobicContact CB-CG2 3.78Å; A433-Y451 HydrophobicContact CB-CD1 3.46Å; A433-Y451 VanDerWaalsContact CB-CD1 3.46Å; A433-Y451 HydrophobicContact CB-CE1 3.92Å; A433-Y451 HydrophobicContact CB-CG 4.08Å
434	V	88.2	Confident	86.2	Confident	33 Å²	33	63.6 Å²	63.6	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-35	175.5	163.7	0	0	0	0	112.1	L430 V431 K432 L437 R444 W445 I448	L430-V434 HydrophobicContact CD1-CG2 4.04Å; L430-V434 HydrophobicContact CG-CG2 4.45Å; L430-V434 WeakPolarHBondContact O-CB 3.41Å; L430-V434 VanDerWaalsContact O-CG2 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.43Å; L430-V434 PolarHBondContact O-N 3.5Å; V431-V434 PolarHBondContact O-N 2.94Å; K432-V434 VanDerWaalsContact C-N 3.34Å; K432-V434 PolarHBondContact O-N 2.97Å; V434-L437 VanDerWaalsContact O-O 3.14Å; V434-R444 PolarHBondContact O-NH2 2.83Å; V434-W445 HydrophobicContact CG2-CZ3 4.48Å; V434-I448 HydrophobicContact CG2-CD1 4.01Å
435	N	84	Confident	86.7	Confident	121 Å²	121	64.2 Å²	64.2	65%	0.647	36%	0.362	S	S	*	.	H	α-helix	trans	-77.3	-35.1	176.2	-73	-16.2	0	0	0	112.6	V431 K432 A433	V431-N435 PolarHBondContact O-N 3.46Å; V431-N435 VanDerWaalsContact O-N 3.11Å; K432-N435 PolarHBondContact O-N 2.84Å; A433-N435 VanDerWaalsContact C-N 3.3Å; A433-N435 PolarHBondContact O-N 2.94Å
436	I	88.5	Confident	87.3	Confident	89 Å²	89	62.8 Å²	62.8	46%	0.456	36%	0.355	S	S	.	.	H	α-helix	trans	-71.8	-36.2	177.9	-67.9	168.2	0	0	0	111.5	K432 A433 P438 Y451	K432-I436 HydrophobicContact CD-CD1 4.46Å; K432-I436 HydrophobicContact CG-CD1 3.76Å; K432-I436 HydrophobicContact CG-CG1 4.5Å; K432-I436 VanDerWaalsContact O-CG1 3.3Å; K432-I436 WeakPolarHBondContact O-CG1 3.36Å; K432-I436 PolarHBondContact O-N 2.85Å; A433-I436 PolarHBondContact O-N 2.97Å; I436-P438 WeakPolarHBondContact O-CD 3.45Å; I436-Y451 HydrophobicContact CD1-CE2 4.24Å
437	L	88.2	Confident	87.5	Confident	38 Å²	38	64.5 Å²	64.5	20%	0.199	37%	0.37	C	S	.	.	S	Bend	trans	-108.7	89.8	-178.2	-63.3	172.4	0	0	0	109.6	A433 V434 R444 A447 I448	A433-L437 WeakPolarHBondContact O-CB 3.08Å; A433-L437 PolarHBondContact O-N 2.63Å; V434-L437 VanDerWaalsContact O-O 3.14Å; L437-R444 PolarHBondContact O-NE 2.99Å; L437-R444 PolarHBondContact O-NH1 2.9Å; L437-R444 PolarHBondContact O-NH2 2.76Å; L437-A447 HydrophobicContact CD1-CB 3.76Å; L437-I448 HydrophobicContact CB-CG1 4.16Å; L437-I448 HydrophobicContact CD1-CG1 3.67Å
438	P	87	Confident	87.8	Confident	82 Å²	82	63.6 Å²	63.6	53%	0.532	37%	0.365	S	S	.	.			trans	-72.9	174.9	-172.9	31	-37.8	0	0	0	114.2	I436 G440 T441 R444	I436-P438 WeakPolarHBondContact O-CD 3.45Å; P438-G440 PolarHBondContact O-N 2.84Å; P438-T441 PolarHBondContact O-OG1 3.11Å; P438-R444 PolarHBondContact O-NH1 2.89Å
439	A	80.8	Confident	88.1	Confident	96 Å²	96	61.4 Å²	61.4	79%	0.793	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	125	-172.6	0	0	0	0	0	108.3
440	G	82.6	Confident	88.1	Confident	79 Å²	79	62.8 Å²	62.8	81%	0.814	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.5	-14.6	-172.8	0	0	0	0	0	114.5	P438	P438-G440 PolarHBondContact O-N 2.84Å
441	T	84	Confident	88.1	Confident	47 Å²	47	64.7 Å²	64.7	29%	0.288	38%	0.378	S	S	.	.			trans	-63.8	126.2	174.9	-50.2	0	0	0	0	110.8	P438 K443 R444	P438-T441 PolarHBondContact O-OG1 3.11Å; T441-K443 PolarHBondContact O-N 2.92Å; T441-R444 VanDerWaalsContact O-CB 3.31Å; T441-R444 WeakPolarHBondContact O-CB 3.48Å; T441-R444 PolarHBondContact O-N 3.18Å
442	P	87.8	Confident	88.2	Confident	113 Å²	113	63.5 Å²	63.5	73%	0.734	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	138	175.4	25.8	-33	0	0	0	110	R444	P442-R444 PolarHBondContact O-N 3.32Å
443	K	87.6	Confident	88.2	Confident	167 Å²	167	60.5 Å²	60.5	73%	0.726	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.8	-174.4	-59.8	-177.6	178.8	178.9	0	112.8	T441 W445 E446 A447	T441-K443 PolarHBondContact O-N 2.92Å; K443-W445 VanDerWaalsContact C-N 3.27Å; K443-W445 PolarHBondContact O-N 3.41Å; K443-E446 WeakPolarHBondContact CA-OE2 3.46Å; K443-E446 HydrophobicContact CB-CB 4.19Å; K443-E446 HydrophobicContact CB-CG 4.38Å; K443-E446 WeakPolarHBondContact CB-OE2 3.36Å; K443-E446 PolarHBondContact O-N 3.39Å; K443-E446 VanDerWaalsContact O-OE2 3.07Å; K443-A447 PolarHBondContact O-N 3.44Å
444	R	89.7	Confident	88.2	Confident	32 Å²	32	68 Å²	68	12%	0.121	40%	0.395	C	S	.	.	H	α-helix	trans	-49.9	-47	-177	176.6	-178.7	167.4	127.2	14.2	112.3	V434 L437 P438 T441 P442 A447 I448	V434-R444 PolarHBondContact O-NH2 2.83Å; L437-R444 PolarHBondContact O-NE 2.99Å; L437-R444 PolarHBondContact O-NH1 2.9Å; L437-R444 PolarHBondContact O-NH2 2.76Å; P438-R444 PolarHBondContact O-NH1 2.89Å; T441-R444 VanDerWaalsContact O-CB 3.31Å; T441-R444 WeakPolarHBondContact O-CB 3.48Å; T441-R444 PolarHBondContact O-N 3.18Å; P442-R444 PolarHBondContact O-N 3.32Å; R444-A447 PolarHBondContact O-N 2.95Å; R444-I448 HydrophobicContact CG-CD1 3.71Å; R444-I448 HydrophobicContact CG-CG1 4.42Å; R444-I448 VanDerWaalsContact O-CG1 3.24Å; R444-I448 WeakPolarHBondContact O-CG1 3.42Å; R444-I448 PolarHBondContact O-N 2.91Å
445	W	93.1	Very high	88.2	Confident	72 Å²	72	71.1 Å²	71.1	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-74.6	-31.6	-171.7	-59.1	114.4	0	0	0	112.1	V434 K443 I448 A449 G463 V466 L467 A470	V434-W445 HydrophobicContact CG2-CZ3 4.48Å; K443-W445 VanDerWaalsContact C-N 3.27Å; K443-W445 PolarHBondContact O-N 3.41Å; W445-I448 HydrophobicContact CE3-CD1 3.78Å; W445-I448 HydrophobicContact CZ3-CD1 3.84Å; W445-A449 VanDerWaalsContact O-CB 3.3Å; W445-A449 WeakPolarHBondContact O-CB 3.3Å; W445-A449 PolarHBondContact O-N 3.47Å; W445-G463 WeakPolarHBondContact O-CA 3.32Å; W445-V466 HydrophobicContact CE3-CG1 3.91Å; W445-V466 HydrophobicContact CZ3-CG1 4.4Å; W445-L467 HydrophobicContact CD2-CB 3.94Å; W445-L467 HydrophobicContact CD2-CD1 4Å; W445-L467 HydrophobicContact CD2-CG 4.46Å; W445-L467 HydrophobicContact CE3-CB 4.22Å; W445-L467 HydrophobicContact CE3-CD1 4.49Å; W445-L467 HydrophobicContact CG-CB 4.03Å; W445-L467 HydrophobicContact CH2-CD1 4.11Å; W445-L467 HydrophobicContact CZ2-CD1 3.57Å; W445-A470 HydrophobicContact CH2-CB 4.01Å; W445-A470 HydrophobicContact CZ3-CB 3.75Å
446	E	94	Very high	88.3	Confident	102 Å²	102	66.4 Å²	66.4	48%	0.477	38%	0.382	S	S	.	.	H	α-helix	trans	-67.7	-42.7	171.8	-60.9	73.1	-169.1	0	0	110.8	K443 A449 A450	K443-E446 WeakPolarHBondContact CA-OE2 3.46Å; K443-E446 HydrophobicContact CB-CB 4.19Å; K443-E446 HydrophobicContact CB-CG 4.38Å; K443-E446 WeakPolarHBondContact CB-OE2 3.36Å; K443-E446 PolarHBondContact O-N 3.39Å; K443-E446 VanDerWaalsContact O-OE2 3.07Å; E446-A449 PolarHBondContact O-N 3.48Å; E446-A450 WeakPolarHBondContact O-CB 3.27Å; E446-A450 PolarHBondContact O-N 3.28Å
447	A	90.4	Very high	87.8	Confident	37 Å²	37	68 Å²	68	31%	0.306	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-41.1	174.7	0	0	0	0	0	112	L437 K443 R444 A450 Y451	L437-A447 HydrophobicContact CD1-CB 3.76Å; K443-A447 PolarHBondContact O-N 3.44Å; R444-A447 PolarHBondContact O-N 2.95Å; A447-A450 PolarHBondContact O-N 2.98Å; A447-Y451 WeakPolarHBondContact O-CB 3.42Å; A447-Y451 PolarHBondContact O-N 3.46Å
448	I	91.7	Very high	87.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-65.6	-41.4	174.5	-67.2	168	0	0	0	110.8	L430 A433 V434 L437 R444 W445 Y451 L452 V466	L430-I448 HydrophobicContact CD1-CG2 3.77Å; A433-I448 HydrophobicContact CB-CG1 4.44Å; A433-I448 HydrophobicContact CB-CG2 3.78Å; V434-I448 HydrophobicContact CG2-CD1 4.01Å; L437-I448 HydrophobicContact CB-CG1 4.16Å; L437-I448 HydrophobicContact CD1-CG1 3.67Å; R444-I448 HydrophobicContact CG-CD1 3.71Å; R444-I448 HydrophobicContact CG-CG1 4.42Å; R444-I448 VanDerWaalsContact O-CG1 3.24Å; R444-I448 WeakPolarHBondContact O-CG1 3.42Å; R444-I448 PolarHBondContact O-N 2.91Å; W445-I448 HydrophobicContact CE3-CD1 3.78Å; W445-I448 HydrophobicContact CZ3-CD1 3.84Å; I448-Y451 WeakPolarHBondContact O-CB 3.37Å; I448-Y451 PolarHBondContact O-N 3.48Å; I448-L452 PolarHBondContact O-N 2.96Å; I448-V466 HydrophobicContact CB-CG1 3.91Å; I448-V466 HydrophobicContact CG2-CG1 3.28Å
449	A	91.8	Very high	86.7	Confident	4 Å²	4	68.5 Å²	68.5	3%	0.033	42%	0.422	C	S	.	.	H	α-helix	trans	-63.4	-43	176.4	0	0	0	0	0	112.2	W445 E446 Y451 L452 N453 V466	W445-A449 VanDerWaalsContact O-CB 3.3Å; W445-A449 WeakPolarHBondContact O-CB 3.3Å; W445-A449 PolarHBondContact O-N 3.47Å; E446-A449 PolarHBondContact O-N 3.48Å; A449-Y451 VanDerWaalsContact C-N 3.34Å; A449-Y451 PolarHBondContact O-N 3Å; A449-L452 PolarHBondContact O-N 3.38Å; A449-N453 WeakPolarHBondContact O-CB 3.39Å; A449-N453 PolarHBondContact O-N 3.45Å; A449-N453 PolarHBondContact O-ND2 2.94Å; A449-V466 HydrophobicContact CB-CG2 3.76Å
450	A	88.4	Confident	86.8	Confident	58 Å²	58	68.5 Å²	68.5	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-44.1	174.2	0	0	0	0	0	111.7	E446 A447 L452 N453 Q454	E446-A450 WeakPolarHBondContact O-CB 3.27Å; E446-A450 PolarHBondContact O-N 3.28Å; A447-A450 PolarHBondContact O-N 2.98Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 3.24Å; A450-N453 PolarHBondContact O-N 3.2Å; A450-Q454 WeakPolarHBondContact O-CB 3.27Å; A450-Q454 PolarHBondContact O-N 2.74Å
451	Y	90.5	Very high	87.1	Confident	42 Å²	42	65 Å²	65	17%	0.165	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-44.2	174.1	-174.1	-83.9	0	0	0	111.4	V429 K432 A433 I436 A447 I448 A449 Q454 H455	V429-Y451 HydrophobicContact CG1-CD1 4.03Å; V429-Y451 HydrophobicContact CG1-CE1 3.87Å; K432-Y451 WeakPolarHBondContact CE-OH 3.34Å; A433-Y451 HydrophobicContact CB-CD1 3.46Å; A433-Y451 VanDerWaalsContact CB-CD1 3.46Å; A433-Y451 HydrophobicContact CB-CE1 3.92Å; A433-Y451 HydrophobicContact CB-CG 4.08Å; I436-Y451 HydrophobicContact CD1-CE2 4.24Å; A447-Y451 WeakPolarHBondContact O-CB 3.42Å; A447-Y451 PolarHBondContact O-N 3.46Å; I448-Y451 WeakPolarHBondContact O-CB 3.37Å; I448-Y451 PolarHBondContact O-N 3.48Å; A449-Y451 VanDerWaalsContact C-N 3.34Å; A449-Y451 PolarHBondContact O-N 3Å; Y451-Q454 PolarHBondContact O-N 3.38Å; Y451-H455 AromaticContact CD1-CD2 3.53Å; Y451-H455 AromaticContact CD2-CD2 3.86Å; Y451-H455 AromaticContact CD2-NE2 3.88Å; Y451-H455 AromaticContact CE1-CD2 3.27Å; Y451-H455 WeakPolarHBondContact CE1-CD2 3.47Å; Y451-H455 AromaticContact CE1-NE2 3.74Å; Y451-H455 AromaticContact CE2-CD2 3.63Å; Y451-H455 AromaticContact CE2-NE2 3.31Å; Y451-H455 VanDerWaalsContact CE2-NE2 3.31Å; Y451-H455 WeakPolarHBondContact CE2-NE2 3.4Å; Y451-H455 AromaticContact CG-CD2 3.82Å; Y451-H455 AromaticContact CZ-CD2 3.31Å; Y451-H455 AromaticContact CZ-NE2 3.21Å; Y451-H455 PolarHBondContact O-CD2 3.05Å; Y451-H455 PolarHBondContact O-N 2.94Å; Y451-H455 VanDerWaalsContact O-N 3.11Å; Y451-H455 PolarHBondContact OH-NE2 3.46Å
452	L	89.3	Confident	87.4	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-47.3	179.5	-136.3	104.9	0	0	0	112.2	W422 M426 V429 L430 I448 A449 A450 Q454 H455 I456 V461	W422-L452 HydrophobicContact CH2-CD2 4Å; W422-L452 HydrophobicContact CZ3-CD2 3.69Å; M426-L452 HydrophobicContact CB-CD2 4.44Å; M426-L452 HydrophobicContact CE-CD2 4.08Å; M426-L452 HydrophobicContact CG-CD2 4.17Å; V429-L452 HydrophobicContact CB-CD1 4.35Å; V429-L452 HydrophobicContact CG1-CD1 4.03Å; V429-L452 HydrophobicContact CG1-CG 4.1Å; L430-L452 VanDerWaalsContact CA-CD1 3.44Å; L430-L452 HydrophobicContact CB-CD1 3.69Å; L430-L452 HydrophobicContact CD1-CD1 4.12Å; I448-L452 PolarHBondContact O-N 2.96Å; A449-L452 PolarHBondContact O-N 3.38Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 3.24Å; L452-Q454 PolarHBondContact O-N 3.43Å; L452-H455 PolarHBondContact O-N 3.2Å; L452-I456 HydrophobicContact CD2-CD1 4.21Å; L452-I456 HydrophobicContact CG-CD1 4.23Å; L452-I456 WeakPolarHBondContact O-CB 3.48Å; L452-I456 PolarHBondContact O-N 3.17Å; L452-V461 HydrophobicContact CB-CG2 3.97Å; L452-V461 HydrophobicContact CD2-CG2 3.73Å; L452-V461 HydrophobicContact CG-CG2 4.47Å
453	N	87.5	Confident	87.4	Confident	57 Å²	57	60.5 Å²	60.5	31%	0.305	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-27.1	178.9	-67	-23.4	0	0	0	112.3	A449 A450 V459 S460 V461	A449-N453 WeakPolarHBondContact O-CB 3.39Å; A449-N453 PolarHBondContact O-N 3.45Å; A449-N453 PolarHBondContact O-ND2 2.94Å; A450-N453 PolarHBondContact O-N 3.2Å; N453-V459 PolarHBondContact OD1-O 2.87Å; N453-S460 WeakPolarHBondContact OD1-CA 3.35Å; N453-V461 PolarHBondContact ND2-O 3.37Å; N453-V461 WeakPolarHBondContact OD1-CG2 3.31Å; N453-V461 PolarHBondContact OD1-N 3.44Å
454	Q	87.9	Confident	87.5	Confident	156 Å²	156	61 Å²	61	73%	0.729	36%	0.356	S	S	*	.	H	α-helix	trans	-77.1	-33.6	175.5	-174.1	176.8	16.8	0	0	112.7	A450 Y451 L452	A450-Q454 WeakPolarHBondContact O-CB 3.27Å; A450-Q454 PolarHBondContact O-N 2.74Å; Y451-Q454 PolarHBondContact O-N 3.38Å; L452-Q454 PolarHBondContact O-N 3.43Å
455	H	87.2	Confident	87.5	Confident	99 Å²	99	62 Å²	62	46%	0.458	36%	0.364	S	S	.	.	H	α-helix	trans	-93.4	-11.3	-175.2	-79.1	-69.3	0	0	0	114.1	V429 Y451 L452	V429-H455 HydrophobicContact CG1-CB 3.77Å; V429-H455 HydrophobicContact CG2-CB 4.48Å; Y451-H455 AromaticContact CD1-CD2 3.53Å; Y451-H455 AromaticContact CD2-CD2 3.86Å; Y451-H455 AromaticContact CD2-NE2 3.88Å; Y451-H455 AromaticContact CE1-CD2 3.27Å; Y451-H455 WeakPolarHBondContact CE1-CD2 3.47Å; Y451-H455 AromaticContact CE1-NE2 3.74Å; Y451-H455 AromaticContact CE2-CD2 3.63Å; Y451-H455 AromaticContact CE2-NE2 3.31Å; Y451-H455 VanDerWaalsContact CE2-NE2 3.31Å; Y451-H455 WeakPolarHBondContact CE2-NE2 3.4Å; Y451-H455 AromaticContact CG-CD2 3.82Å; Y451-H455 AromaticContact CZ-CD2 3.31Å; Y451-H455 AromaticContact CZ-NE2 3.21Å; Y451-H455 PolarHBondContact O-CD2 3.05Å; Y451-H455 PolarHBondContact O-N 2.94Å; Y451-H455 VanDerWaalsContact O-N 3.11Å; Y451-H455 PolarHBondContact OH-NE2 3.46Å; L452-H455 PolarHBondContact O-N 3.2Å
456	I	85.6	Confident	87.3	Confident	23 Å²	23	58.6 Å²	58.6	12%	0.118	35%	0.351	C	S	.	.	S	Bend	trans	-130.1	115.4	-175.5	-58.4	-177.1	0	0	0	109.9	M426 V429 L452 V459	M426-I456 HydrophobicContact CB-CD1 3.9Å; M426-I456 HydrophobicContact CG-CD1 3.26Å; M426-I456 HydrophobicContact CG-CG1 4.46Å; M426-I456 HydrophobicContact CG-CG2 3.99Å; V429-I456 HydrophobicContact CB-CD1 3.86Å; V429-I456 HydrophobicContact CB-CG1 4.42Å; V429-I456 HydrophobicContact CG1-CD1 4.27Å; V429-I456 HydrophobicContact CG1-CG1 4.48Å; V429-I456 HydrophobicContact CG2-CD1 3.83Å; V429-I456 HydrophobicContact CG2-CG1 4.07Å; L452-I456 HydrophobicContact CD2-CD1 4.21Å; L452-I456 HydrophobicContact CG-CD1 4.23Å; L452-I456 WeakPolarHBondContact O-CB 3.48Å; L452-I456 PolarHBondContact O-N 3.17Å; I456-V459 HydrophobicContact CG2-CG2 4.47Å
457	S	77.9	Confident	87.1	Confident	121 Å²	121	56.2 Å²	56.2	85%	0.846	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	139.5	179.2	-46.1	0	0	0	0	111.4	V459	S457-V459 PolarHBondContact O-N 2.77Å
458	G	77.4	Confident	87	Confident	90 Å²	90	61.5 Å²	61.5	93%	0.928	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	2.9	168.9	0	0	0	0	0	115.9
459	V	76.4	Confident	86.6	Confident	42 Å²	42	63 Å²	63	26%	0.255	36%	0.364	S	S	.	.			trans	-127.5	132.2	175.4	-171.7	0	0	0	0	109.7	M426 N453 I456 S457 V461	M426-V459 HydrophobicContact CE-CG1 3.93Å; M426-V459 HydrophobicContact SD-CB 4.14Å; M426-V459 HydrophobicContact SD-CG1 3.9Å; M426-V459 HydrophobicContact SD-CG2 3.95Å; N453-V459 PolarHBondContact OD1-O 2.87Å; I456-V459 HydrophobicContact CG2-CG2 4.47Å; S457-V459 PolarHBondContact O-N 2.77Å; V459-V461 HydrophobicContact CG1-CG1 4.09Å
460	S	82.4	Confident	86.3	Confident	95 Å²	95	63.4 Å²	63.4	66%	0.664	37%	0.368	S	S	*	.			trans	-111.2	115.6	168.3	-176.4	0	0	0	0	108.6	N453	N453-S460 WeakPolarHBondContact OD1-CA 3.35Å
461	V	88.2	Confident	86.1	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.03	37%	0.37	C	S	.	.			trans	-110.3	142.9	172.8	-73.8	0	0	0	0	110.6	W422 M426 L452 N453 V459 D465 V466	W422-V461 HydrophobicContact CH2-CG1 4.17Å; W422-V461 HydrophobicContact CZ2-CG1 4Å; M426-V461 HydrophobicContact CE-CG1 3.81Å; L452-V461 HydrophobicContact CB-CG2 3.97Å; L452-V461 HydrophobicContact CD2-CG2 3.73Å; L452-V461 HydrophobicContact CG-CG2 4.47Å; N453-V461 PolarHBondContact ND2-O 3.37Å; N453-V461 WeakPolarHBondContact OD1-CG2 3.31Å; N453-V461 PolarHBondContact OD1-N 3.44Å; V459-V461 HydrophobicContact CG1-CG1 4.09Å; V461-D465 HydrophobicContact CB-CB 4.34Å; V461-D465 HydrophobicContact CG1-CB 4.49Å; V461-V466 HydrophobicContact CB-CG2 4.33Å; V461-V466 HydrophobicContact CG2-CG2 3.99Å
462	S	91.6	Very high	85.7	Confident	54 Å²	54	68.3 Å²	68.3	38%	0.378	38%	0.382	S	S	.	.			trans	-90.6	163.9	172.6	74.5	0	0	0	0	111.4	K464 D465 V466	S462-K464 PolarHBondContact O-N 2.9Å; S462-K464 PolarHBondContact OG-N 3.3Å; S462-D465 WeakPolarHBondContact CB-OD2 3.48Å; S462-D465 PolarHBondContact N-OD2 2.94Å; S462-D465 PolarHBondContact O-N 3.21Å; S462-D465 VanDerWaalsContact O-N 3.07Å; S462-D465 PolarHBondContact OG-N 2.9Å; S462-D465 PolarHBondContact OG-OD2 3.21Å; S462-V466 WeakPolarHBondContact O-CG2 3.28Å; S462-V466 PolarHBondContact O-N 3.36Å; S462-V466 VanDerWaalsContact O-N 3.17Å
463	G	87.3	Confident	85	Confident	13 Å²	13	68.6 Å²	68.6	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-56.7	-32.1	173.9	0	0	0	0	0	113.3	W445 L467	W445-G463 WeakPolarHBondContact O-CA 3.32Å; G463-L467 WeakPolarHBondContact O-CB 3.3Å; G463-L467 PolarHBondContact O-N 3.04Å; G463-L467 VanDerWaalsContact O-N 3.08Å
464	K	89.2	Confident	84.2	Confident	178 Å²	178	72.6 Å²	72.6	77%	0.774	40%	0.399	S	S	*	.	H	α-helix	trans	-67	-40.5	175.7	-71.6	-177.2	178.9	177.3	0	112	S462 L467 K468	S462-K464 PolarHBondContact O-N 2.9Å; S462-K464 PolarHBondContact OG-N 3.3Å; K464-L467 PolarHBondContact O-N 2.89Å; K464-K468 WeakPolarHBondContact O-CB 3.29Å; K464-K468 PolarHBondContact O-N 3.02Å
465	D	88.8	Confident	83.2	Confident	53 Å²	53	72.6 Å²	72.6	28%	0.283	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-44.8	-179.8	-56.4	-43	0	0	0	111.1	W422 V461 S462 K468 Q469	W422-D465 HydrophobicContact CZ2-CB 4.31Å; V461-D465 HydrophobicContact CB-CB 4.34Å; V461-D465 HydrophobicContact CG1-CB 4.49Å; S462-D465 WeakPolarHBondContact CB-OD2 3.48Å; S462-D465 PolarHBondContact N-OD2 2.94Å; S462-D465 PolarHBondContact O-N 3.21Å; S462-D465 VanDerWaalsContact O-N 3.07Å; S462-D465 PolarHBondContact OG-N 2.9Å; S462-D465 PolarHBondContact OG-OD2 3.21Å; D465-K468 PolarHBondContact O-N 2.96Å; D465-Q469 PolarHBondContact O-N 2.71Å
466	V	90.1	Very high	81.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60	-45.7	176.6	170.7	0	0	0	0	111.4	W422 L430 W445 I448 A449 V461 S462 Q469 A470	W422-V466 HydrophobicContact CH2-CG2 4.14Å; L430-V466 HydrophobicContact CD1-CG1 3.54Å; W445-V466 HydrophobicContact CE3-CG1 3.91Å; W445-V466 HydrophobicContact CZ3-CG1 4.4Å; I448-V466 HydrophobicContact CB-CG1 3.91Å; I448-V466 HydrophobicContact CG2-CG1 3.28Å; A449-V466 HydrophobicContact CB-CG2 3.76Å; V461-V466 HydrophobicContact CB-CG2 4.33Å; V461-V466 HydrophobicContact CG2-CG2 3.99Å; S462-V466 WeakPolarHBondContact O-CG2 3.28Å; S462-V466 PolarHBondContact O-N 3.36Å; S462-V466 VanDerWaalsContact O-N 3.17Å; V466-Q469 PolarHBondContact O-N 3.42Å; V466-A470 VanDerWaalsContact O-CB 3.28Å; V466-A470 WeakPolarHBondContact O-CB 3.5Å; V466-A470 PolarHBondContact O-N 2.87Å
467	L	89.4	Confident	80.2	Confident	52 Å²	52	77.5 Å²	77.5	27%	0.272	43%	0.425	S	S	.	.	H	α-helix	trans	-61.4	-45.2	177	171.2	56.6	0	0	0	111.3	W445 G463 K464 Q469 A470 K471	W445-L467 HydrophobicContact CD2-CB 3.94Å; W445-L467 HydrophobicContact CD2-CD1 4Å; W445-L467 HydrophobicContact CD2-CG 4.46Å; W445-L467 HydrophobicContact CE3-CB 4.22Å; W445-L467 HydrophobicContact CE3-CD1 4.49Å; W445-L467 HydrophobicContact CG-CB 4.03Å; W445-L467 HydrophobicContact CH2-CD1 4.11Å; W445-L467 HydrophobicContact CZ2-CD1 3.57Å; G463-L467 WeakPolarHBondContact O-CB 3.3Å; G463-L467 PolarHBondContact O-N 3.04Å; G463-L467 VanDerWaalsContact O-N 3.08Å; K464-L467 PolarHBondContact O-N 2.89Å; L467-Q469 VanDerWaalsContact C-N 3.34Å; L467-Q469 PolarHBondContact O-N 3.37Å; L467-A470 PolarHBondContact O-N 3Å; L467-K471 HydrophobicContact CD1-CD 4.31Å; L467-K471 HydrophobicContact CD1-CG 4.22Å; L467-K471 WeakPolarHBondContact O-CG 3.4Å; L467-K471 PolarHBondContact O-N 3.47Å
468	K	88.7	Confident	79.2	Confident	147 Å²	147	74.3 Å²	74.3	64%	0.639	40%	0.402	S	S	*	.	H	α-helix	trans	-60.6	-45.2	178.7	-167.5	177.8	-178.2	-178.7	0	111	K464 D465 K471 L472	K464-K468 WeakPolarHBondContact O-CB 3.29Å; K464-K468 PolarHBondContact O-N 3.02Å; D465-K468 PolarHBondContact O-N 2.96Å; K468-K471 PolarHBondContact O-N 3.27Å; K468-L472 PolarHBondContact O-N 3.07Å; K468-L472 VanDerWaalsContact O-N 3.08Å
469	Q	83.7	Confident	78.4	Confident	31 Å²	31	75.6 Å²	75.6	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-40.4	178.3	-167.7	68.4	2.1	0	0	112.7	W422 L430 D465 V466 L467 K471 L472 L473	W422-Q469 HydrophobicContact CD2-CB 4.05Å; W422-Q469 HydrophobicContact CD2-CG 3.52Å; W422-Q469 HydrophobicContact CE3-CB 4.36Å; W422-Q469 HydrophobicContact CE3-CG 3.72Å; W422-Q469 HydrophobicContact CG-CG 3.98Å; W422-Q469 HydrophobicContact CH2-CB 4.01Å; W422-Q469 HydrophobicContact CH2-CG 4.25Å; W422-Q469 HydrophobicContact CZ2-CB 3.62Å; W422-Q469 HydrophobicContact CZ2-CG 4.04Å; W422-Q469 HydrophobicContact CZ3-CB 4.36Å; W422-Q469 HydrophobicContact CZ3-CG 4.1Å; L430-Q469 HydrophobicContact CD2-CB 3.97Å; L430-Q469 HydrophobicContact CD2-CG 3.75Å; D465-Q469 PolarHBondContact O-N 2.71Å; V466-Q469 PolarHBondContact O-N 3.42Å; L467-Q469 VanDerWaalsContact C-N 3.34Å; L467-Q469 PolarHBondContact O-N 3.37Å; Q469-K471 VanDerWaalsContact C-N 3.28Å; Q469-K471 PolarHBondContact O-N 2.95Å; Q469-L472 PolarHBondContact O-N 2.9Å; Q469-L473 HydrophobicContact CG-CD1 4.03Å; Q469-L473 WeakPolarHBondContact O-CB 3.5Å; Q469-L473 WeakPolarHBondContact O-CD1 3.49Å; Q469-L473 WeakPolarHBondContact O-CG 3.29Å; Q469-L473 PolarHBondContact O-N 3Å
470	A	85.1	Confident	77.6	Confident	13 Å²	13	77 Å²	77	11%	0.107	39%	0.393	C	S	.	.	H	α-helix	trans	-64.9	-31.9	177.7	0	0	0	0	0	112.6	W445 V466 L467 K474	W445-A470 HydrophobicContact CH2-CB 4.01Å; W445-A470 HydrophobicContact CZ3-CB 3.75Å; V466-A470 VanDerWaalsContact O-CB 3.28Å; V466-A470 WeakPolarHBondContact O-CB 3.5Å; V466-A470 PolarHBondContact O-N 2.87Å; L467-A470 PolarHBondContact O-N 3Å; A470-K474 PolarHBondContact O-N 3.45Å
471	K	83.8	Confident	76.5	Confident	123 Å²	123	76.4 Å²	76.4	54%	0.535	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-46.7	171.3	-76	-175.3	176.2	-174.1	0	111.8	L467 K468 Q469 L473 K474 E475	L467-K471 HydrophobicContact CD1-CD 4.31Å; L467-K471 HydrophobicContact CD1-CG 4.22Å; L467-K471 WeakPolarHBondContact O-CG 3.4Å; L467-K471 PolarHBondContact O-N 3.47Å; K468-K471 PolarHBondContact O-N 3.27Å; Q469-K471 VanDerWaalsContact C-N 3.28Å; Q469-K471 PolarHBondContact O-N 2.95Å; K471-L473 VanDerWaalsContact C-N 3.28Å; K471-L473 PolarHBondContact O-N 3.22Å; K471-K474 CarbonylContact O-C 3.51Å; K471-K474 WeakPolarHBondContact O-CA 3.35Å; K471-K474 WeakPolarHBondContact O-CB 3.49Å; K471-K474 PolarHBondContact O-N 3.44Å; K471-E475 PolarHBondContact O-N 3.39Å
472	L	82.7	Confident	75.3	Confident	80 Å²	80	81.9 Å²	81.9	42%	0.419	40%	0.4	S	S	.	.	H	α-helix	trans	-55.9	-42.4	174.3	-84.7	158.5	0	0	0	112.2	K468 Q469 K474 E475 E476	K468-L472 PolarHBondContact O-N 3.07Å; K468-L472 VanDerWaalsContact O-N 3.08Å; Q469-L472 PolarHBondContact O-N 2.9Å; L472-K474 PolarHBondContact O-N 3.45Å; L472-E475 PolarHBondContact O-N 2.83Å; L472-E475 VanDerWaalsContact O-N 3.14Å; L472-E476 PolarHBondContact O-N 2.84Å
473	L	74.1	Confident	74.1	Confident	9 Å²	9	82.6 Å²	82.6	5%	0.047	40%	0.403	C	S	.	.	H	α-helix	trans	-69.1	-12.8	175.4	-79.8	158.6	0	0	0	114.9	I427 L430 Q469 K471 L480 R481	I427-L473 HydrophobicContact CG2-CD1 4.04Å; I427-L473 HydrophobicContact CG2-CD2 3.75Å; L430-L473 HydrophobicContact CD2-CD1 3.62Å; L430-L473 HydrophobicContact CG-CD1 4.49Å; Q469-L473 HydrophobicContact CG-CD1 4.03Å; Q469-L473 WeakPolarHBondContact O-CB 3.5Å; Q469-L473 WeakPolarHBondContact O-CD1 3.49Å; Q469-L473 WeakPolarHBondContact O-CG 3.29Å; Q469-L473 PolarHBondContact O-N 3Å; K471-L473 VanDerWaalsContact C-N 3.28Å; K471-L473 PolarHBondContact O-N 3.22Å; L473-L480 HydrophobicContact CD2-CB 4.42Å; L473-R481 PolarHBondContact O-NE 2.77Å
474	K	70.9	Confident	73	Confident	140 Å²	140	82.3 Å²	82.3	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-92.8	-29.8	169.7	-99.4	-169.7	173.9	-168.5	0	111.5	A470 K471 L472 D477	A470-K474 PolarHBondContact O-N 3.45Å; K471-K474 CarbonylContact O-C 3.51Å; K471-K474 WeakPolarHBondContact O-CA 3.35Å; K471-K474 WeakPolarHBondContact O-CB 3.49Å; K471-K474 PolarHBondContact O-N 3.44Å; L472-K474 PolarHBondContact O-N 3.45Å; K474-D477 WeakPolarHBondContact O-CB 3.41Å; K474-D477 VanDerWaalsContact O-OD1 3.12Å; K474-D477 VanDerWaalsContact O-OD2 3.07Å
475	E	67.3	Low	71.9	Confident	156 Å²	156	78.8 Å²	78.8	73%	0.729	39%	0.388	S	S	*	.	H	α-helix	trans	-77.6	-36	178.9	-71.5	175	-176.6	0	0	111.1	K471 L472 D477	K471-E475 PolarHBondContact O-N 3.39Å; L472-E475 PolarHBondContact O-N 2.83Å; L472-E475 VanDerWaalsContact O-N 3.14Å; E475-D477 VanDerWaalsContact C-N 3.34Å; E475-D477 PolarHBondContact O-N 3.36Å
476	E	58	Low	71	Confident	117 Å²	117	80 Å²	80	55%	0.547	40%	0.398	S	S	.	.	S	Bend	trans	-89.8	63.4	170.6	-70.5	-172	149	0	0	111.9	L472 S478 L480	L472-E476 PolarHBondContact O-N 2.84Å; E476-S478 VanDerWaalsContact C-N 3.35Å; E476-S478 PolarHBondContact O-N 3Å; E476-L480 HydrophobicContact CB-CD1 4.44Å; E476-L480 WeakPolarHBondContact OE2-CD1 3.39Å
477	D	52	Low	70	Confident	109 Å²	109	85.1 Å²	85.1	58%	0.583	42%	0.42	S	S	*	.			trans	-78.4	13.9	-149.5	-134.5	-1.7	0	0	0	118.2	K474 E475	K474-D477 WeakPolarHBondContact O-CB 3.41Å; K474-D477 VanDerWaalsContact O-OD1 3.12Å; K474-D477 VanDerWaalsContact O-OD2 3.07Å; E475-D477 VanDerWaalsContact C-N 3.34Å; E475-D477 PolarHBondContact O-N 3.36Å
478	S	56.6	Low	68.7	Low	53 Å²	53	84.4 Å²	84.4	37%	0.371	42%	0.422	S	S	.	.	S	Bend	trans	-145.3	-44.2	178.9	-154.2	0	0	0	0	115.4	E476 K482	E476-S478 VanDerWaalsContact C-N 3.35Å; E476-S478 PolarHBondContact O-N 3Å; S478-K482 WeakPolarHBondContact O-CB 3.48Å; S478-K482 WeakPolarHBondContact O-CD 3.32Å; S478-K482 WeakPolarHBondContact O-CG 3.44Å; S478-K482 PolarHBondContact O-N 2.98Å; S478-K482 WeakPolarHBondContact OG-CE 3.46Å; S478-K482 PolarHBondContact OG-NZ 3.5Å; S478-K482 VanDerWaalsContact OG-NZ 3.09Å
479	N	60.4	Low	67.9	Low	117 Å²	117	84.2 Å²	84.2	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-77.5	-48.8	-169.1	-72.5	-20	0	0	0	112.2	R481 K482 T483	N479-R481 PolarHBondContact O-N 2.97Å; N479-K482 WeakPolarHBondContact O-CB 3.47Å; N479-K482 PolarHBondContact O-N 3.26Å; N479-T483 PolarHBondContact O-N 3.27Å; N479-T483 PolarHBondContact O-OG1 2.87Å
480	L	59.3	Low	67.2	Low	71 Å²	71	86.8 Å²	86.8	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-38.6	-177.5	-89	86.3	0	0	0	113.2	L473 E476 T483 A484	L473-L480 HydrophobicContact CD2-CB 4.42Å; E476-L480 HydrophobicContact CB-CD1 4.44Å; E476-L480 WeakPolarHBondContact OE2-CD1 3.39Å; L480-T483 PolarHBondContact O-N 2.96Å; L480-A484 WeakPolarHBondContact O-CB 3.43Å; L480-A484 PolarHBondContact O-N 3.38Å
481	R	59.3	Low	66.4	Low	83 Å²	83	89.8 Å²	89.8	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.7	-69.7	-169.3	-176.4	-152.3	1.1	111.6	L473 N479 N485	L473-R481 PolarHBondContact O-NE 2.77Å; N479-R481 PolarHBondContact O-N 2.97Å; R481-N485 VanDerWaalsContact O-CB 3.31Å; R481-N485 WeakPolarHBondContact O-CB 3.45Å; R481-N485 VanDerWaalsContact O-CG 3.24Å; R481-N485 PolarHBondContact O-N 2.66Å; R481-N485 PolarHBondContact O-ND2 3.25Å
482	K	63.5	Low	65.4	Low	121 Å²	121	90.4 Å²	90.4	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-55.7	173.1	-77.4	173.1	-176.9	167.4	0	109.8	S478 N479 A484 N485 T486	S478-K482 WeakPolarHBondContact O-CB 3.48Å; S478-K482 WeakPolarHBondContact O-CD 3.32Å; S478-K482 WeakPolarHBondContact O-CG 3.44Å; S478-K482 PolarHBondContact O-N 2.98Å; S478-K482 WeakPolarHBondContact OG-CE 3.46Å; S478-K482 PolarHBondContact OG-NZ 3.5Å; S478-K482 VanDerWaalsContact OG-NZ 3.09Å; N479-K482 WeakPolarHBondContact O-CB 3.47Å; N479-K482 PolarHBondContact O-N 3.26Å; K482-A484 VanDerWaalsContact C-N 3.3Å; K482-A484 PolarHBondContact O-N 3.39Å; K482-N485 CarbonylContact O-C 3.58Å; K482-N485 WeakPolarHBondContact O-CA 3.4Å; K482-N485 WeakPolarHBondContact O-CB 3.47Å; K482-N485 PolarHBondContact O-N 3.24Å; K482-T486 PolarHBondContact O-N 2.91Å; K482-T486 PolarHBondContact O-OG1 2.81Å
483	T	67	Low	64.4	Low	69 Å²	69	89.3 Å²	89.3	42%	0.423	46%	0.458	S	S	.	.	H	α-helix	trans	-58.3	-39.1	-179.1	-43.6	0	0	0	0	112.5	N479 L480 K487	N479-T483 PolarHBondContact O-N 3.27Å; N479-T483 PolarHBondContact O-OG1 2.87Å; L480-T483 PolarHBondContact O-N 2.96Å; T483-K487 HydrophobicContact CG2-CD 4.3Å; T483-K487 VanDerWaalsContact O-CB 3.3Å; T483-K487 WeakPolarHBondContact O-CB 3.33Å; T483-K487 VanDerWaalsContact O-CG 3.26Å; T483-K487 WeakPolarHBondContact O-CG 3.43Å; T483-K487 PolarHBondContact O-N 3.39Å
484	A	63.2	Low	63.7	Low	7 Å²	7	95.1 Å²	95.1	6%	0.058	49%	0.489	C	S	.	.	H	α-helix	trans	-67.1	-39.6	175.5	0	0	0	0	0	111.9	I427 Q428 L480 K482 A488	I427-A484 HydrophobicContact CG2-CB 4.4Å; Q428-A484 HydrophobicContact CG-CB 4.3Å; Q428-A484 PolarHBondContact NE2-O 3.35Å; L480-A484 WeakPolarHBondContact O-CB 3.43Å; L480-A484 PolarHBondContact O-N 3.38Å; K482-A484 VanDerWaalsContact C-N 3.3Å; K482-A484 PolarHBondContact O-N 3.39Å; A484-A488 WeakPolarHBondContact O-CB 3.48Å; A484-A488 PolarHBondContact O-N 3.24Å
485	N	67.1	Low	62.9	Low	103 Å²	103	92.2 Å²	92.2	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-70.1	-38.7	174.3	-74.6	-12.6	0	0	0	112.3	R481 K482 A488 F489	R481-N485 VanDerWaalsContact O-CB 3.31Å; R481-N485 WeakPolarHBondContact O-CB 3.45Å; R481-N485 VanDerWaalsContact O-CG 3.24Å; R481-N485 PolarHBondContact O-N 2.66Å; R481-N485 PolarHBondContact O-ND2 3.25Å; K482-N485 CarbonylContact O-C 3.58Å; K482-N485 WeakPolarHBondContact O-CA 3.4Å; K482-N485 WeakPolarHBondContact O-CB 3.47Å; K482-N485 PolarHBondContact O-N 3.24Å; N485-A488 WeakPolarHBondContact O-CB 3.38Å; N485-A488 PolarHBondContact O-N 2.95Å; N485-F489 PolarHBondContact O-N 2.86Å
486	T	68.4	Low	61.7	Low	78 Å²	78	88 Å²	88	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-66.9	-44.6	175.7	-15.6	0	0	0	0	110.6	K482 A488 F489 D490	K482-T486 PolarHBondContact O-N 2.91Å; K482-T486 PolarHBondContact O-OG1 2.81Å; T486-A488 VanDerWaalsContact C-N 3.27Å; T486-A488 PolarHBondContact O-N 3.44Å; T486-F489 WeakPolarHBondContact O-CB 3.43Å; T486-F489 PolarHBondContact O-N 2.9Å; T486-F489 VanDerWaalsContact O-N 3.12Å; T486-D490 PolarHBondContact O-N 2.91Å
487	K	69.5	Low	61	Low	109 Å²	109	93.1 Å²	93.1	47%	0.474	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-31.7	174.2	-73.4	179.4	177.8	-178	0	112.4	T424 T483 D490 S491	T424-K487 HydrophobicContact CG2-CD 3.94Å; T483-K487 HydrophobicContact CG2-CD 4.3Å; T483-K487 VanDerWaalsContact O-CB 3.3Å; T483-K487 WeakPolarHBondContact O-CB 3.33Å; T483-K487 VanDerWaalsContact O-CG 3.26Å; T483-K487 WeakPolarHBondContact O-CG 3.43Å; T483-K487 PolarHBondContact O-N 3.39Å; K487-D490 PolarHBondContact O-N 2.83Å; K487-S491 VanDerWaalsContact O-CB 3.29Å; K487-S491 WeakPolarHBondContact O-CB 3.45Å; K487-S491 PolarHBondContact O-N 2.95Å
488	A	62.3	Low	60.4	Low	37 Å²	37	96.3 Å²	96.3	31%	0.306	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-42.2	172.1	0	0	0	0	0	111.4	A484 N485 T486 D490 S491 F492	A484-A488 WeakPolarHBondContact O-CB 3.48Å; A484-A488 PolarHBondContact O-N 3.24Å; N485-A488 WeakPolarHBondContact O-CB 3.38Å; N485-A488 PolarHBondContact O-N 2.95Å; T486-A488 VanDerWaalsContact C-N 3.27Å; T486-A488 PolarHBondContact O-N 3.44Å; A488-D490 VanDerWaalsContact C-N 3.34Å; A488-S491 PolarHBondContact O-N 3.36Å; A488-F492 VanDerWaalsContact O-CB 3.26Å; A488-F492 WeakPolarHBondContact O-CB 3.5Å; A488-F492 PolarHBondContact O-N 3.44Å
489	F	71.5	Confident	59.6	Low	143 Å²	143	98.2 Å²	98.2	63%	0.627	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-40.1	175.1	-170	-95.9	0	0	0	111.7	N485 T486 F492 S493	N485-F489 PolarHBondContact O-N 2.86Å; T486-F489 WeakPolarHBondContact O-CB 3.43Å; T486-F489 PolarHBondContact O-N 2.9Å; T486-F489 VanDerWaalsContact O-N 3.12Å; F489-F492 PolarHBondContact O-N 3.42Å; F489-S493 WeakPolarHBondContact O-CB 3.45Å; F489-S493 PolarHBondContact O-N 3.3Å; F489-S493 PolarHBondContact O-OG 3.43Å
490	D	69.9	Low	58.9	Low	84 Å²	84	98.8 Å²	98.8	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-72.5	-37.4	177.3	-77.3	-17.2	0	0	0	113.5	T486 K487 A488 F492 S493 N494	T486-D490 PolarHBondContact O-N 2.91Å; K487-D490 PolarHBondContact O-N 2.83Å; A488-D490 VanDerWaalsContact C-N 3.34Å; D490-F492 VanDerWaalsContact C-N 3.33Å; D490-S493 VanDerWaalsContact CA-OG 3.28Å; D490-S493 WeakPolarHBondContact CA-OG 3.22Å; D490-S493 PolarHBondContact O-OG 2.88Å; D490-N494 VanDerWaalsContact O-CB 3.31Å; D490-N494 WeakPolarHBondContact O-CB 3.34Å; D490-N494 VanDerWaalsContact O-CG 3.3Å; D490-N494 PolarHBondContact O-N 3.47Å; D490-N494 PolarHBondContact O-ND2 3.48Å
491	S	67.8	Low	58.1	Low	76 Å²	76	97.3 Å²	97.3	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-42.1	172.4	171.7	0	0	0	0	110.7	K487 A488 N494 S495	K487-S491 VanDerWaalsContact O-CB 3.29Å; K487-S491 WeakPolarHBondContact O-CB 3.45Å; K487-S491 PolarHBondContact O-N 2.95Å; A488-S491 PolarHBondContact O-N 3.36Å; S491-N494 PolarHBondContact O-N 2.93Å; S491-S495 VanDerWaalsContact O-CB 3.27Å; S491-S495 WeakPolarHBondContact O-CB 3.33Å; S491-S495 PolarHBondContact O-N 2.77Å; S491-S495 PolarHBondContact O-OG 3.39Å
492	F	62.6	Low	57.2	Low	136 Å²	136	97.2 Å²	97.2	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-62.8	-48.5	175.7	-177	-101.7	0	0	0	111.2	A488 F489 D490 N494 S495 V496	A488-F492 VanDerWaalsContact O-CB 3.26Å; A488-F492 WeakPolarHBondContact O-CB 3.5Å; A488-F492 PolarHBondContact O-N 3.44Å; F489-F492 PolarHBondContact O-N 3.42Å; D490-F492 VanDerWaalsContact C-N 3.33Å; F492-N494 VanDerWaalsContact C-N 3.3Å; F492-N494 PolarHBondContact O-N 3.31Å; F492-S495 PolarHBondContact O-N 2.92Å; F492-S495 PolarHBondContact O-OG 3.43Å; F492-V496 HydrophobicContact CE1-CG2 4.38Å; F492-V496 HydrophobicContact CZ-CG2 4.29Å; F492-V496 WeakPolarHBondContact O-CG2 3.19Å; F492-V496 PolarHBondContact O-N 3.45Å
493	S	61	Low	56.3	Low	58 Å²	58	97.3 Å²	97.3	41%	0.406	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-35	179	66.1	0	0	0	0	112.6	F489 D490	F489-S493 WeakPolarHBondContact O-CB 3.45Å; F489-S493 PolarHBondContact O-N 3.3Å; F489-S493 PolarHBondContact O-OG 3.43Å; D490-S493 VanDerWaalsContact CA-OG 3.28Å; D490-S493 WeakPolarHBondContact CA-OG 3.22Å; D490-S493 PolarHBondContact O-OG 2.88Å
494	N	59.4	Low	55.5	Low	131 Å²	131	99.5 Å²	99.5	70%	0.701	53%	0.526	S	S	*	.	H	α-helix	trans	-78.5	-28.6	175.2	-74	-46.8	0	0	0	113.9	D490 S491 F492 V496	D490-N494 VanDerWaalsContact O-CB 3.31Å; D490-N494 WeakPolarHBondContact O-CB 3.34Å; D490-N494 VanDerWaalsContact O-CG 3.3Å; D490-N494 PolarHBondContact O-N 3.47Å; D490-N494 PolarHBondContact O-ND2 3.48Å; S491-N494 PolarHBondContact O-N 2.93Å; F492-N494 VanDerWaalsContact C-N 3.3Å; F492-N494 PolarHBondContact O-N 3.31Å; N494-V496 VanDerWaalsContact C-N 3.35Å
495	S	54.1	Low	54.9	Low	78 Å²	78	103.3 Å²	103.3	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-76.7	-22.3	179.1	74.1	0	0	0	0	113.3	S491 F492 R497	S491-S495 VanDerWaalsContact O-CB 3.27Å; S491-S495 WeakPolarHBondContact O-CB 3.33Å; S491-S495 PolarHBondContact O-N 2.77Å; S491-S495 PolarHBondContact O-OG 3.39Å; F492-S495 PolarHBondContact O-N 2.92Å; F492-S495 PolarHBondContact O-OG 3.43Å; S495-R497 VanDerWaalsContact C-N 3.27Å; S495-R497 PolarHBondContact O-N 3.19Å
496	V	42.9	Very low	54.6	Low	69 Å²	69	102 Å²	102	42%	0.418	54%	0.544	S	S	.	.	S	Bend	trans	-78.3	85.8	170.1	-178.8	0	0	0	0	107.4	F492 N494 E498	F492-V496 HydrophobicContact CE1-CG2 4.38Å; F492-V496 HydrophobicContact CZ-CG2 4.29Å; F492-V496 WeakPolarHBondContact O-CG2 3.19Å; F492-V496 PolarHBondContact O-N 3.45Å; N494-V496 VanDerWaalsContact C-N 3.35Å; V496-E498 PolarHBondContact O-N 2.9Å; V496-E498 VanDerWaalsContact O-N 3.13Å
497	R	43.1	Very low	54.5	Low	223 Å²	223	104.2 Å²	104.2	84%	0.842	55%	0.551	S	S	*	*			trans	-49.7	121.4	172.4	-73.7	-177.2	173.1	-179.1	-2.2	109.4	S495 T499	S495-R497 VanDerWaalsContact C-N 3.27Å; S495-R497 PolarHBondContact O-N 3.19Å; R497-T499 PolarHBondContact O-N 2.88Å
498	E	39.6	Very low	54.3	Low	177 Å²	177	99.9 Å²	99.9	83%	0.827	53%	0.534	S	S	*	.			trans	-45.5	99.1	177.4	-69.9	175.3	129.6	0	0	110.7	V496	V496-E498 PolarHBondContact O-N 2.9Å; V496-E498 VanDerWaalsContact O-N 3.13Å
499	T	40.9	Very low	54.4	Low	93 Å²	93	101.8 Å²	101.8	57%	0.571	54%	0.542	S	S	*	.			trans	-109.4	130.8	155.7	54.9	0	0	0	0	105.9	R497 A501 V502	R497-T499 PolarHBondContact O-N 2.88Å; T499-A501 PolarHBondContact O-N 3.01Å; T499-V502 PolarHBondContact O-N 3.2Å; T499-V502 VanDerWaalsContact O-N 3.15Å
500	D	44.3	Very low	53.7	Low	129 Å²	129	103 Å²	103	69%	0.69	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-4	-173.5	-80.5	-43.2	0	0	0	114.5	K503	D500-K503 IonicContact OD1-NZ 3.45Å; D500-K503 PolarHBondContact OD1-NZ 2.87Å
501	A	43.5	Very low	53	Low	40 Å²	40	104.9 Å²	104.9	33%	0.331	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.4	-13.7	175.1	0	0	0	0	0	114.8	T499 V521	T499-A501 PolarHBondContact O-N 3.01Å; A501-V521 HydrophobicContact CB-CG2 4.19Å
502	V	40.1	Very low	52.4	Low	81 Å²	81	106 Å²	106	49%	0.491	56%	0.556	S	S	.	*	S	Bend	trans	-107.6	0	-176	-150.2	0	0	0	0	113.5	T499 N504	T499-V502 PolarHBondContact O-N 3.2Å; T499-V502 VanDerWaalsContact O-N 3.15Å; V502-N504 PolarHBondContact O-N 3.25Å; V502-N504 VanDerWaalsContact O-N 3.11Å
503	K	43.9	Very low	52.1	Low	122 Å²	122	100.9 Å²	100.9	53%	0.53	54%	0.539	S	S	.	.	S	Bend	trans	-69.3	112.1	169.6	-71.9	174.7	-177.4	156.5	0	108.7	D500	D500-K503 IonicContact OD1-NZ 3.45Å; D500-K503 PolarHBondContact OD1-NZ 2.87Å
504	N	51.1	Low	51.8	Low	115 Å²	115	107 Å²	107	62%	0.615	56%	0.561	S	S	*	*			trans	82.2	71.8	162.9	-46.9	-10.8	0	0	0	115.3	V502 T506 R517	V502-N504 PolarHBondContact O-N 3.25Å; V502-N504 VanDerWaalsContact O-N 3.11Å; N504-T506 PolarHBondContact O-N 3.29Å; N504-T506 VanDerWaalsContact O-N 3.13Å; N504-R517 PolarHBondContact O-NH2 3.03Å
505	V	51.1	Low	51.5	Low	87 Å²	87	103.9 Å²	103.9	53%	0.527	55%	0.554	S	S	.	*			trans	-78.7	81.1	153.6	-175.1	0	0	0	0	107.7	T556	V505-T556 HydrophobicContact CG1-CG2 3.32Å
506	T	59.4	Low	52	Low	77 Å²	77	106.2 Å²	106.2	47%	0.472	57%	0.57	S	S	.	*			trans	-93.3	132.7	170.3	-52	0	0	0	0	108.3	N504 T508 R517	N504-T506 PolarHBondContact O-N 3.29Å; N504-T506 VanDerWaalsContact O-N 3.13Å; T506-T508 PolarHBondContact O-N 3.48Å; T506-R517 PolarHBondContact O-NH1 3.14Å
507	I	67.2	Low	53.6	Low	123 Å²	123	106 Å²	106	63%	0.631	56%	0.562	S	S	*	*			trans	-73.4	113.6	175.3	-60.9	171.6	0	0	0	108	T509	I507-T509 PolarHBondContact O-N 3.11Å
508	T	64.7	Low	55.4	Low	19 Å²	19	100.6 Å²	100.6	12%	0.117	56%	0.555	C	S	.	*			trans	-69.5	124.3	-179.9	-58	0	0	0	0	110.5	T506 E512 A513 R517 T556 T558 E561	T506-T508 PolarHBondContact O-N 3.48Å; T508-E512 HydrophobicContact CG2-CB 3.92Å; T508-A513 HydrophobicContact CG2-CB 4.49Å; T508-R517 PolarHBondContact OG1-NH1 2.97Å; T508-T556 WeakPolarHBondContact CB-O 3.2Å; T508-T556 PolarHBondContact N-O 3.24Å; T508-T556 PolarHBondContact OG1-O 3.41Å; T508-T556 VanDerWaalsContact OG1-O 3.1Å; T508-T558 HydrophobicContact CG2-CG2 4.13Å; T508-E561 WeakPolarHBondContact CG2-OE2 3.48Å
509	T	63.5	Low	57.5	Low	76 Å²	76	94.3 Å²	94.3	47%	0.466	52%	0.524	S	S	.	.			trans	-82.5	158.3	168.5	58.3	0	0	0	0	111.3	I507 L511 E512 A513	I507-T509 PolarHBondContact O-N 3.11Å; T509-L511 PolarHBondContact O-N 2.97Å; T509-E512 PolarHBondContact N-OE2 3.24Å; T509-E512 VanDerWaalsContact N-OE2 3.1Å; T509-E512 PolarHBondContact O-N 2.97Å; T509-E512 PolarHBondContact OG1-OE2 2.9Å; T509-A513 PolarHBondContact O-N 3.01Å
510	Q	58.2	Low	59.6	Low	169 Å²	169	90.9 Å²	90.9	79%	0.79	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.2	-178.8	-137.8	167.4	9.8	0	0	113.3
511	L	54.3	Low	61.5	Low	124 Å²	124	88.4 Å²	88.4	65%	0.649	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.2	176.6	-122.9	102.1	0	0	0	114.2	T509	T509-L511 PolarHBondContact O-N 2.97Å
512	E	55.5	Low	63.5	Low	99 Å²	99	90.5 Å²	90.5	46%	0.463	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.6	-178.1	-72.7	168.3	152.8	0	0	112.6	T508 T509 E514 A515	T508-E512 HydrophobicContact CG2-CB 3.92Å; T509-E512 PolarHBondContact N-OE2 3.24Å; T509-E512 VanDerWaalsContact N-OE2 3.1Å; T509-E512 PolarHBondContact O-N 2.97Å; T509-E512 PolarHBondContact OG1-OE2 2.9Å; E512-E514 PolarHBondContact O-N 3.22Å; E512-E514 VanDerWaalsContact O-N 3.07Å; E512-A515 PolarHBondContact O-N 2.73Å; E512-A515 VanDerWaalsContact O-N 3.1Å
513	A	57.2	Low	65.8	Low	29 Å²	29	86.9 Å²	86.9	24%	0.24	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.3	179.4	0	0	0	0	0	113.9	T508 T509 T558 E561	T508-A513 HydrophobicContact CG2-CB 4.49Å; T509-A513 PolarHBondContact O-N 3.01Å; A513-T558 HydrophobicContact CB-CG2 4.28Å; A513-E561 HydrophobicContact CB-CG 4.42Å
514	E	52.9	Low	68	Low	185 Å²	185	82.3 Å²	82.3	86%	0.864	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.1	177.2	-64	-177.3	172.3	0	0	113.3	E512	E512-E514 PolarHBondContact O-N 3.22Å; E512-E514 VanDerWaalsContact O-N 3.07Å
515	A	54.5	Low	69.8	Low	67 Å²	67	85.1 Å²	85.1	55%	0.554	46%	0.461	S	S	*	.	S	Bend	trans	-88.2	130.4	177.4	0	0	0	0	0	111.3	E512 R517	E512-A515 PolarHBondContact O-N 2.73Å; E512-A515 VanDerWaalsContact O-N 3.1Å; A515-R517 VanDerWaalsContact C-N 3.28Å; A515-R517 PolarHBondContact O-N 2.65Å
516	S	64.7	Low	71.8	Confident	127 Å²	127	81.8 Å²	81.8	89%	0.888	44%	0.443	S	S	*	.			trans	-71.2	75	179.5	62.6	0	0	0	0	112.3
517	R	75	Confident	73.3	Confident	64 Å²	64	78.1 Å²	78.1	24%	0.242	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-83	125.5	176.4	176.7	-178	167.9	-138.1	-9	110.9	N504 T506 T508 A515 E523 R557	N504-R517 PolarHBondContact O-NH2 3.03Å; T506-R517 PolarHBondContact O-NH1 3.14Å; T508-R517 PolarHBondContact OG1-NH1 2.97Å; A515-R517 VanDerWaalsContact C-N 3.28Å; A515-R517 PolarHBondContact O-N 2.65Å; R517-E523 IonicContact CZ-OE1 3.48Å; R517-E523 IonicContact NH1-OE1 2.71Å; R517-E523 IonicContact NH2-OE1 2.96Å; R517-E523 PolarHBondContact NH2-OE1 3.34Å; R517-R557 PolarHBondContact O-NH1 3.28Å; R517-R557 VanDerWaalsContact O-NH1 3.15Å; R517-R557 PolarHBondContact O-NH2 3.06Å
518	P	82.5	Confident	74.5	Confident	109 Å²	109	76.7 Å²	76.7	71%	0.708	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-62.3	145.7	179.2	23.8	-31.9	0	0	0	112.4	R557	P518-R557 PolarHBondContact O-NH2 3.25Å
519	W	82.7	Confident	75.8	Confident	45 Å²	45	81.9 Å²	81.9	17%	0.17	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-76.1	129.8	179.1	-80	72.3	0	0	0	111.3	E523 L527 V554 R557 E561 R565	W519-E523 HydrophobicContact CE3-CB 3.74Å; W519-E523 HydrophobicContact CZ3-CB 4.04Å; W519-L527 HydrophobicContact CE3-CD2 4.43Å; W519-L527 HydrophobicContact CH2-CB 4.36Å; W519-L527 HydrophobicContact CH2-CD1 4.39Å; W519-L527 HydrophobicContact CH2-CD2 3.73Å; W519-L527 HydrophobicContact CH2-CG 4.38Å; W519-L527 HydrophobicContact CZ2-CD2 4.41Å; W519-L527 HydrophobicContact CZ3-CB 3.85Å; W519-L527 HydrophobicContact CZ3-CD2 3.74Å; W519-L527 HydrophobicContact CZ3-CG 4.29Å; W519-V554 HydrophobicContact CZ3-CG1 4.46Å; W519-R557 HydrophobicContact CH2-CB 4.16Å; W519-R557 HydrophobicContact CH2-CG 3.81Å; W519-R557 HydrophobicContact CZ2-CG 4.1Å; W519-R557 HydrophobicContact CZ3-CG 4.12Å; W519-E561 HydrophobicContact CZ2-CB 4.4Å; W519-R565 HydrophobicContact CD2-CB 4.35Å; W519-R565 HydrophobicContact CD2-CG 3.74Å; W519-R565 VanDerWaalsContact CE2-CB 3.48Å; W519-R565 HydrophobicContact CE3-CG 4.24Å; W519-R565 HydrophobicContact CG-CG 4.22Å; W519-R565 HydrophobicContact CH2-CB 4.08Å; W519-R565 HydrophobicContact CH2-CG 4.15Å; W519-R565 HydrophobicContact CZ2-CB 3.32Å; W519-R565 HydrophobicContact CZ2-CG 3.61Å; W519-R565 HydrophobicContact CZ3-CG 4.44Å
520	T	84.9	Confident	77.2	Confident	22 Å²	22	78.3 Å²	78.3	14%	0.135	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-79.4	160.6	174	73.5	0	0	0	0	110.9	V522 E523 Q524	T520-V522 PolarHBondContact O-N 3.25Å; T520-E523 PolarHBondContact N-OE2 2.87Å; T520-E523 PolarHBondContact O-N 2.98Å; T520-E523 VanDerWaalsContact OG1-CG 3.25Å; T520-E523 WeakPolarHBondContact OG1-CG 3.38Å; T520-E523 PolarHBondContact OG1-N 3.3Å; T520-Q524 WeakPolarHBondContact O-CB 3.45Å; T520-Q524 PolarHBondContact O-N 2.85Å
521	V	84.9	Confident	78.7	Confident	76 Å²	76	72.1 Å²	72.1	46%	0.461	38%	0.384	S	S	.	.	H	α-helix	trans	-59.8	-34.8	177.3	-179.3	0	0	0	0	111.4	A501 R525	A501-V521 HydrophobicContact CB-CG2 4.19Å; V521-R525 WeakPolarHBondContact O-CB 3.15Å; V521-R525 VanDerWaalsContact O-CG 3.31Å; V521-R525 WeakPolarHBondContact O-CG 3.14Å; V521-R525 PolarHBondContact O-N 2.96Å
522	V	85.7	Confident	80.3	Confident	84 Å²	84	74.7 Å²	74.7	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-70.2	-47.8	179.1	-178.5	0	0	0	0	110.8	T520 Q524 R525 A526	T520-V522 PolarHBondContact O-N 3.25Å; V522-Q524 VanDerWaalsContact C-N 3.32Å; V522-Q524 PolarHBondContact O-N 3.38Å; V522-R525 PolarHBondContact O-N 3.45Å; V522-A526 WeakPolarHBondContact O-CB 3.47Å; V522-A526 PolarHBondContact O-N 3.02Å
523	E	88.1	Confident	81.9	Confident	5 Å²	5	73.9 Å²	73.9	2%	0.023	39%	0.392	C	S	.	.	H	α-helix	trans	-61.4	-41.8	177.4	-70.2	174.3	169.6	0	0	111.4	R517 W519 T520 A526 L527 V554 T556 R557	R517-E523 IonicContact CZ-OE1 3.48Å; R517-E523 IonicContact NH1-OE1 2.71Å; R517-E523 IonicContact NH2-OE1 2.96Å; R517-E523 PolarHBondContact NH2-OE1 3.34Å; W519-E523 HydrophobicContact CE3-CB 3.74Å; W519-E523 HydrophobicContact CZ3-CB 4.04Å; T520-E523 PolarHBondContact N-OE2 2.87Å; T520-E523 PolarHBondContact O-N 2.98Å; T520-E523 VanDerWaalsContact OG1-CG 3.25Å; T520-E523 WeakPolarHBondContact OG1-CG 3.38Å; T520-E523 PolarHBondContact OG1-N 3.3Å; E523-A526 PolarHBondContact O-N 2.99Å; E523-L527 WeakPolarHBondContact O-CB 3.27Å; E523-L527 PolarHBondContact O-N 2.85Å; E523-V554 HydrophobicContact CB-CG1 4.45Å; E523-T556 VanDerWaalsContact CG-OG1 3.3Å; E523-T556 WeakPolarHBondContact CG-OG1 3.38Å; E523-T556 PolarHBondContact OE1-OG1 3.04Å; E523-R557 IonicContact OE1-NE 3.36Å; E523-R557 IonicContact OE2-CZ 3.6Å; E523-R557 IonicContact OE2-NE 3.67Å; E523-R557 PolarHBondContact OE2-NE 3Å; E523-R557 IonicContact OE2-NH2 3.42Å; E523-R557 PolarHBondContact OE2-NH2 2.71Å
524	Q	88.9	Confident	83.4	Confident	26 Å²	26	76.5 Å²	76.5	12%	0.121	40%	0.396	C	S	.	.	H	α-helix	trans	-63.3	-45	177.8	-176.1	67.9	35	0	0	111.5	T520 V522 L527 E528	T520-Q524 WeakPolarHBondContact O-CB 3.45Å; T520-Q524 PolarHBondContact O-N 2.85Å; V522-Q524 VanDerWaalsContact C-N 3.32Å; V522-Q524 PolarHBondContact O-N 3.38Å; Q524-L527 PolarHBondContact O-N 3.38Å; Q524-E528 PolarHBondContact NE2-OE1 3.36Å; Q524-E528 WeakPolarHBondContact O-CG 3.47Å; Q524-E528 PolarHBondContact O-N 3.02Å
525	R	90.5	Very high	84.8	Confident	174 Å²	174	71.1 Å²	71.1	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-63.2	-41.5	175.2	-76.3	176.9	-176.4	173.6	2.7	112.1	V521 V522 E528 Q529	V521-R525 WeakPolarHBondContact O-CB 3.15Å; V521-R525 VanDerWaalsContact O-CG 3.31Å; V521-R525 WeakPolarHBondContact O-CG 3.14Å; V521-R525 PolarHBondContact O-N 2.96Å; V522-R525 PolarHBondContact O-N 3.45Å; R525-E528 PolarHBondContact O-N 3.27Å; R525-Q529 WeakPolarHBondContact O-CB 3.39Å; R525-Q529 PolarHBondContact O-N 2.92Å
526	A	91.3	Very high	85.9	Confident	18 Å²	18	72.4 Å²	72.4	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-42.1	177	0	0	0	0	0	111.5	V522 E523 Q529 A530 V554	V522-A526 WeakPolarHBondContact O-CB 3.47Å; V522-A526 PolarHBondContact O-N 3.02Å; E523-A526 PolarHBondContact O-N 2.99Å; A526-Q529 PolarHBondContact O-N 3.48Å; A526-A530 VanDerWaalsContact O-CB 3.23Å; A526-A530 WeakPolarHBondContact O-CB 3.49Å; A526-A530 PolarHBondContact O-N 3.49Å; A526-V554 HydrophobicContact CB-CG2 4.35Å
527	L	92.8	Very high	86.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.7	-46.3	175.2	179.8	68.2	0	0	0	111.5	W519 E523 Q524 Q529 A530 L531 I550 V554 C562 R565 L569	W519-L527 HydrophobicContact CE3-CD2 4.43Å; W519-L527 HydrophobicContact CH2-CB 4.36Å; W519-L527 HydrophobicContact CH2-CD1 4.39Å; W519-L527 HydrophobicContact CH2-CD2 3.73Å; W519-L527 HydrophobicContact CH2-CG 4.38Å; W519-L527 HydrophobicContact CZ2-CD2 4.41Å; W519-L527 HydrophobicContact CZ3-CB 3.85Å; W519-L527 HydrophobicContact CZ3-CD2 3.74Å; W519-L527 HydrophobicContact CZ3-CG 4.29Å; E523-L527 WeakPolarHBondContact O-CB 3.27Å; E523-L527 PolarHBondContact O-N 2.85Å; Q524-L527 PolarHBondContact O-N 3.38Å; L527-Q529 PolarHBondContact O-N 2.83Å; L527-A530 PolarHBondContact O-N 3.31Å; L527-L531 HydrophobicContact CD1-CD1 4.35Å; L527-L531 HydrophobicContact CD1-CG 4.38Å; L527-L531 HydrophobicContact CG-CD1 4.04Å; L527-L531 HydrophobicContact CG-CG 4.47Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 VanDerWaalsContact O-CG 3.28Å; L527-L531 WeakPolarHBondContact O-CG 3.24Å; L527-L531 PolarHBondContact O-N 3.18Å; L527-I550 HydrophobicContact CD1-CG2 3.71Å; L527-V554 HydrophobicContact CB-CG2 4.08Å; L527-V554 HydrophobicContact CD1-CG2 4.3Å; L527-C562 HydrophobicContact CD1-CB 3.88Å; L527-R565 HydrophobicContact CD2-CB 4.02Å; L527-R565 HydrophobicContact CD2-CG 3.6Å; L527-L569 HydrophobicContact CD2-CD1 4.37Å
528	E	92.3	Very high	85.4	Confident	93 Å²	93	74 Å²	74	44%	0.435	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-40.1	178.6	-74.2	173.1	-165.1	0	0	112.3	Q524 R525 K532	Q524-E528 PolarHBondContact NE2-OE1 3.36Å; Q524-E528 WeakPolarHBondContact O-CG 3.47Å; Q524-E528 PolarHBondContact O-N 3.02Å; R525-E528 PolarHBondContact O-N 3.27Å; E528-K532 WeakPolarHBondContact O-CG 3.3Å; E528-K532 PolarHBondContact O-N 2.87Å; E528-K532 VanDerWaalsContact O-N 3.14Å
529	Q	92.1	Very high	84.3	Confident	128 Å²	128	72.1 Å²	72.1	60%	0.598	40%	0.403	S	S	*	.	H	α-helix	trans	-63.7	-44.6	173.5	-175.3	175.9	-5.7	0	0	111	R525 A526 L527 L531 K532 T533	R525-Q529 WeakPolarHBondContact O-CB 3.39Å; R525-Q529 PolarHBondContact O-N 2.92Å; A526-Q529 PolarHBondContact O-N 3.48Å; L527-Q529 PolarHBondContact O-N 2.83Å; Q529-L531 PolarHBondContact O-N 2.93Å; Q529-K532 WeakPolarHBondContact O-CB 3.36Å; Q529-K532 PolarHBondContact O-N 3.01Å; Q529-T533 PolarHBondContact O-N 2.95Å; Q529-T533 PolarHBondContact O-OG1 2.9Å
530	A	92	Very high	82.9	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-63.3	-40.5	178.2	0	0	0	0	0	112.6	A526 L527 K532 T533 Y534 I550 V553	A526-A530 VanDerWaalsContact O-CB 3.23Å; A526-A530 WeakPolarHBondContact O-CB 3.49Å; A526-A530 PolarHBondContact O-N 3.49Å; L527-A530 PolarHBondContact O-N 3.31Å; A530-K532 VanDerWaalsContact C-N 3.29Å; A530-K532 PolarHBondContact O-N 3.17Å; A530-T533 VanDerWaalsContact CA-OG1 3.29Å; A530-T533 WeakPolarHBondContact CA-OG1 3.19Å; A530-T533 PolarHBondContact O-N 3.27Å; A530-T533 PolarHBondContact O-OG1 3.02Å; A530-Y534 VanDerWaalsContact O-CD2 3.3Å; A530-Y534 WeakPolarHBondContact O-CD2 3.2Å; A530-Y534 PolarHBondContact O-N 3.41Å; A530-I550 HydrophobicContact CB-CB 4.3Å; A530-I550 HydrophobicContact CB-CG1 4.22Å; A530-I550 HydrophobicContact CB-CG2 3.94Å; A530-V553 HydrophobicContact CB-CB 3.92Å; A530-V553 HydrophobicContact CB-CG1 3.84Å
531	L	88.9	Confident	81.4	Confident	39 Å²	39	79.6 Å²	79.6	20%	0.204	45%	0.452	C	S	.	.	H	α-helix	trans	-66.6	-30.9	176.2	-73.5	171.1	0	0	0	112.4	L527 Q529 Y534 W547 I550	L527-L531 HydrophobicContact CD1-CD1 4.35Å; L527-L531 HydrophobicContact CD1-CG 4.38Å; L527-L531 HydrophobicContact CG-CD1 4.04Å; L527-L531 HydrophobicContact CG-CG 4.47Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 VanDerWaalsContact O-CG 3.28Å; L527-L531 WeakPolarHBondContact O-CG 3.24Å; L527-L531 PolarHBondContact O-N 3.18Å; Q529-L531 PolarHBondContact O-N 2.93Å; L531-Y534 CarbonylContact O-C 3.6Å; L531-W547 HydrophobicContact CD2-CH2 4.26Å; L531-W547 HydrophobicContact CD2-CZ3 4.27Å; L531-I550 HydrophobicContact CD2-CD1 3.91Å
532	K	88.1	Confident	80	Confident	178 Å²	178	79.3 Å²	79.3	77%	0.774	45%	0.453	S	S	*	.	H	α-helix	trans	-73.2	-42.1	172.9	-75.8	178.3	-178.8	178.3	0	112.3	E528 Q529 A530 Y534	E528-K532 WeakPolarHBondContact O-CG 3.3Å; E528-K532 PolarHBondContact O-N 2.87Å; E528-K532 VanDerWaalsContact O-N 3.14Å; Q529-K532 WeakPolarHBondContact O-CB 3.36Å; Q529-K532 PolarHBondContact O-N 3.01Å; A530-K532 VanDerWaalsContact C-N 3.29Å; A530-K532 PolarHBondContact O-N 3.17Å; K532-Y534 VanDerWaalsContact C-N 3.34Å
533	T	89	Confident	79	Confident	82 Å²	82	78.9 Å²	78.9	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-70.3	-32.6	179.1	46.1	0	0	0	0	112.5	Q529 A530 P535	Q529-T533 PolarHBondContact O-N 2.95Å; Q529-T533 PolarHBondContact O-OG1 2.9Å; A530-T533 VanDerWaalsContact CA-OG1 3.29Å; A530-T533 WeakPolarHBondContact CA-OG1 3.19Å; A530-T533 PolarHBondContact O-N 3.27Å; A530-T533 PolarHBondContact O-OG1 3.02Å; T533-P535 VanDerWaalsContact O-CD 3.29Å; T533-P535 WeakPolarHBondContact O-CD 3.48Å
534	Y	88.5	Confident	78	Confident	84 Å²	84	82.9 Å²	82.9	33%	0.329	48%	0.475	S	S	.	.	S	Bend	trans	-118.3	80.1	179.2	-54.4	-70.7	0	0	0	110.1	A530 L531 K532 R546 L549 I550 V553	A530-Y534 VanDerWaalsContact O-CD2 3.3Å; A530-Y534 WeakPolarHBondContact O-CD2 3.2Å; A530-Y534 PolarHBondContact O-N 3.41Å; L531-Y534 CarbonylContact O-C 3.6Å; K532-Y534 VanDerWaalsContact C-N 3.34Å; Y534-R546 PolarHBondContact O-NE 2.89Å; Y534-R546 PolarHBondContact O-NH2 3.19Å; Y534-L549 HydrophobicContact CD1-CD1 4.24Å; Y534-L549 HydrophobicContact CD2-CB 4.37Å; Y534-L549 HydrophobicContact CE1-CB 4.34Å; Y534-L549 HydrophobicContact CE1-CD1 3.9Å; Y534-L549 HydrophobicContact CE2-CB 4.07Å; Y534-I550 HydrophobicContact CD2-CG1 4.14Å; Y534-V553 HydrophobicContact CE2-CG2 4.02Å
535	P	84.1	Confident	77.6	Confident	73 Å²	73	86 Å²	86	47%	0.474	49%	0.492	S	S	.	.			trans	-69.5	165.9	179.3	29	-35.1	0	0	0	112.9	T533 N537 R546	T533-P535 VanDerWaalsContact O-CD 3.29Å; T533-P535 WeakPolarHBondContact O-CD 3.48Å; P535-N537 PolarHBondContact O-N 2.99Å; P535-R546 VanDerWaalsContact C-CZ 3.41Å; P535-R546 VanDerWaalsContact C-NH2 3.3Å; P535-R546 PolarHBondContact O-NE 2.92Å
536	S	77.1	Confident	77.4	Confident	93 Å²	93	80 Å²	80	65%	0.65	47%	0.469	S	S	*	.			trans	-88.5	92.1	179.6	-152.9	0	0	0	0	110.9	R546	S536-R546 PolarHBondContact OG-NH1 2.85Å
537	N	69.7	Low	77.3	Confident	108 Å²	108	81.2 Å²	81.2	58%	0.578	47%	0.47	S	S	*	.			trans	-84.6	123	170	-68.3	-12.6	0	0	0	108.9	P535 G539	P535-N537 PolarHBondContact O-N 2.99Å; N537-G539 PolarHBondContact O-N 3.25Å
538	A	59	Low	77	Confident	118 Å²	118	85.4 Å²	85.4	98%	0.975	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	19.4	-170	0	0	0	0	0	115.2
539	G	59.6	Low	76.9	Confident	69 Å²	69	84.4 Å²	84.4	71%	0.711	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.1	2.3	-174.1	0	0	0	0	0	115.7	N537 P541	N537-G539 PolarHBondContact O-N 3.25Å; G539-P541 WeakPolarHBondContact O-CD 3.42Å
540	D	54	Low	76.9	Confident	101 Å²	101	78.3 Å²	78.3	54%	0.54	46%	0.459	S	S	.	.			trans	-86.4	118.4	-178.8	-87.7	-43.3	0	0	0	111.8	C542 S543	D540-C542 PolarHBondContact O-N 3.16Å; D540-C542 VanDerWaalsContact O-N 3.14Å; D540-S543 PolarHBondContact O-N 3.44Å
541	P	53.3	Low	76.8	Confident	122 Å²	122	78.5 Å²	78.5	79%	0.792	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.3	173.2	-22.5	34.1	0	0	0	112.7	G539 S543	G539-P541 WeakPolarHBondContact O-CD 3.42Å; P541-S543 PolarHBondContact O-N 2.99Å
542	C	54.1	Low	76.8	Confident	71 Å²	71	81.5 Å²	81.5	48%	0.48	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	27	177.2	-78.2	0	0	0	0	114.6	D540 D544 D545 R546	D540-C542 PolarHBondContact O-N 3.16Å; D540-C542 VanDerWaalsContact O-N 3.14Å; C542-D544 PolarHBondContact O-N 3.43Å; C542-D544 VanDerWaalsContact O-N 3.17Å; C542-D545 HydrophobicContact CB-CB 4.27Å; C542-D545 PolarHBondContact O-N 3.43Å; C542-D545 PolarHBondContact SG-OD2 2.87Å; C542-D545 VanDerWaalsContact SG-OD2 3.33Å; C542-R546 PolarHBondContact O-N 3.43Å; C542-R546 VanDerWaalsContact O-N 3.07Å
543	S	65.1	Low	76.9	Confident	74 Å²	74	76.1 Å²	76.1	52%	0.517	46%	0.458	S	S	.	.	H	α-helix	trans	-57.1	-27.6	171.7	70.1	0	0	0	0	112.8	D540 P541 W547	D540-S543 PolarHBondContact O-N 3.44Å; P541-S543 PolarHBondContact O-N 2.99Å; S543-W547 VanDerWaalsContact O-CD1 3.3Å
544	D	67.4	Low	77	Confident	90 Å²	90	72.8 Å²	72.8	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-67.3	-47.3	176.4	-144.5	61.1	0	0	0	111.6	C542 R546 W547 R559	C542-D544 PolarHBondContact O-N 3.43Å; C542-D544 VanDerWaalsContact O-N 3.17Å; D544-R546 VanDerWaalsContact C-N 3.35Å; D544-R546 PolarHBondContact O-N 2.99Å; D544-W547 PolarHBondContact O-N 3.34Å; D544-R559 IonicContact OD1-CZ 3.44Å; D544-R559 IonicContact OD1-NH1 2.7Å; D544-R559 PolarHBondContact OD1-NH1 2.98Å; D544-R559 IonicContact OD1-NH2 3.63Å; D544-R559 PolarHBondContact OD1-NH2 3.48Å; D544-R559 IonicContact OD2-CZ 2.84Å; D544-R559 IonicContact OD2-NH1 2.81Å; D544-R559 PolarHBondContact OD2-NH1 2.82Å; D544-R559 IonicContact OD2-NH2 2.85Å
545	D	79.9	Confident	76.9	Confident	92 Å²	92	70.9 Å²	70.9	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-67.4	-34	178.3	-69.6	-35.3	0	0	0	112.5	C542 W547 Q548 L549	C542-D545 HydrophobicContact CB-CB 4.27Å; C542-D545 PolarHBondContact O-N 3.43Å; C542-D545 PolarHBondContact SG-OD2 2.87Å; C542-D545 VanDerWaalsContact SG-OD2 3.33Å; D545-W547 VanDerWaalsContact C-N 3.31Å; D545-W547 PolarHBondContact O-N 3.25Å; D545-Q548 WeakPolarHBondContact O-CA 3.48Å; D545-Q548 WeakPolarHBondContact O-CB 3.45Å; D545-Q548 PolarHBondContact O-N 2.93Å; D545-L549 WeakPolarHBondContact O-CG 3.38Å; D545-L549 PolarHBondContact O-N 3.28Å
546	R	87.3	Confident	77	Confident	46 Å²	46	68.2 Å²	68.2	17%	0.174	43%	0.427	C	S	.	.	H	α-helix	trans	-54.7	-48.6	177.9	177.4	-177.1	172.9	-157.1	0.8	111.7	Y534 P535 S536 C542 D544 Q548 L549 I550	Y534-R546 PolarHBondContact O-NE 2.89Å; Y534-R546 PolarHBondContact O-NH2 3.19Å; P535-R546 VanDerWaalsContact C-CZ 3.41Å; P535-R546 VanDerWaalsContact C-NH2 3.3Å; P535-R546 PolarHBondContact O-NE 2.92Å; S536-R546 PolarHBondContact OG-NH1 2.85Å; C542-R546 PolarHBondContact O-N 3.43Å; C542-R546 VanDerWaalsContact O-N 3.07Å; D544-R546 VanDerWaalsContact C-N 3.35Å; D544-R546 PolarHBondContact O-N 2.99Å; R546-Q548 PolarHBondContact O-N 3.39Å; R546-L549 PolarHBondContact O-N 3.39Å; R546-I550 HydrophobicContact CG-CD1 3.96Å; R546-I550 WeakPolarHBondContact O-CG1 3.31Å; R546-I550 PolarHBondContact O-N 2.9Å
547	W	89	Confident	77.4	Confident	44 Å²	44	64.3 Å²	64.3	17%	0.167	40%	0.398	C	S	.	.	H	α-helix	trans	-68.9	-28.7	-178.7	-74.3	110.7	0	0	0	112	L531 S543 D544 D545 I550 A551 R559 C562 I563 C566	L531-W547 HydrophobicContact CD2-CH2 4.26Å; L531-W547 HydrophobicContact CD2-CZ3 4.27Å; S543-W547 VanDerWaalsContact O-CD1 3.3Å; D544-W547 PolarHBondContact O-N 3.34Å; D545-W547 VanDerWaalsContact C-N 3.31Å; D545-W547 PolarHBondContact O-N 3.25Å; W547-I550 HydrophobicContact CD2-CD1 4.29Å; W547-I550 HydrophobicContact CE3-CB 4.46Å; W547-I550 HydrophobicContact CE3-CD1 3.76Å; W547-I550 HydrophobicContact CE3-CG2 4.4Å; W547-I550 HydrophobicContact CZ3-CD1 3.99Å; W547-A551 WeakPolarHBondContact O-CB 3.4Å; W547-A551 PolarHBondContact O-N 2.98Å; W547-R559 HydrophobicContact CB-CG 3.52Å; W547-C562 HydrophobicContact CE3-CB 4.33Å; W547-C562 HydrophobicContact CZ3-CB 4.34Å; W547-I563 HydrophobicContact CB-CD1 4.26Å; W547-I563 HydrophobicContact CB-CG1 4.43Å; W547-I563 HydrophobicContact CD2-CD1 4.01Å; W547-I563 HydrophobicContact CD2-CG1 3.35Å; W547-I563 HydrophobicContact CE3-CG1 3.51Å; W547-I563 HydrophobicContact CG-CD1 3.88Å; W547-I563 HydrophobicContact CG-CG1 3.79Å; W547-I563 HydrophobicContact CH2-CG1 4.16Å; W547-I563 HydrophobicContact CZ2-CG1 4.02Å; W547-I563 HydrophobicContact CZ3-CG1 3.92Å; W547-C566 HydrophobicContact CH2-CB 3.8Å; W547-C566 HydrophobicContact CZ3-CB 4.32Å
548	Q	87.4	Confident	78.4	Confident	88 Å²	88	60.3 Å²	60.3	41%	0.411	38%	0.377	S	S	.	.	H	α-helix	trans	-68.2	-42.5	172.3	-167.5	58.6	45.8	0	0	111.4	D545 R546 I550 A551 N552	D545-Q548 WeakPolarHBondContact O-CA 3.48Å; D545-Q548 WeakPolarHBondContact O-CB 3.45Å; D545-Q548 PolarHBondContact O-N 2.93Å; R546-Q548 PolarHBondContact O-N 3.39Å; Q548-I550 VanDerWaalsContact C-N 3.34Å; Q548-I550 PolarHBondContact O-N 3.31Å; Q548-A551 PolarHBondContact O-N 3.41Å; Q548-N552 PolarHBondContact NE2-OD1 3.38Å; Q548-N552 WeakPolarHBondContact O-CB 3.42Å; Q548-N552 PolarHBondContact O-N 2.95Å; Q548-N552 PolarHBondContact O-ND2 3.08Å; Q548-N552 PolarHBondContact O-OD1 3.28Å
549	L	89	Confident	79.8	Confident	72 Å²	72	57.9 Å²	57.9	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-41.9	173.8	-68.1	171.6	0	0	0	111.8	Y534 D545 R546 N552 V553	Y534-L549 HydrophobicContact CD1-CD1 4.24Å; Y534-L549 HydrophobicContact CD2-CB 4.37Å; Y534-L549 HydrophobicContact CE1-CB 4.34Å; Y534-L549 HydrophobicContact CE1-CD1 3.9Å; Y534-L549 HydrophobicContact CE2-CB 4.07Å; D545-L549 WeakPolarHBondContact O-CG 3.38Å; D545-L549 PolarHBondContact O-N 3.28Å; R546-L549 PolarHBondContact O-N 3.39Å; L549-N552 PolarHBondContact O-N 2.93Å; L549-V553 WeakPolarHBondContact O-CG2 3.33Å; L549-V553 PolarHBondContact O-N 3.01Å
550	I	91.8	Very high	81	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-47.5	174.9	-69.4	165	0	0	0	110.5	L527 A530 L531 Y534 R546 W547 Q548 N552 V553 V554 C562	L527-I550 HydrophobicContact CD1-CG2 3.71Å; A530-I550 HydrophobicContact CB-CB 4.3Å; A530-I550 HydrophobicContact CB-CG1 4.22Å; A530-I550 HydrophobicContact CB-CG2 3.94Å; L531-I550 HydrophobicContact CD2-CD1 3.91Å; Y534-I550 HydrophobicContact CD2-CG1 4.14Å; R546-I550 HydrophobicContact CG-CD1 3.96Å; R546-I550 WeakPolarHBondContact O-CG1 3.31Å; R546-I550 PolarHBondContact O-N 2.9Å; W547-I550 HydrophobicContact CD2-CD1 4.29Å; W547-I550 HydrophobicContact CE3-CB 4.46Å; W547-I550 HydrophobicContact CE3-CD1 3.76Å; W547-I550 HydrophobicContact CE3-CG2 4.4Å; W547-I550 HydrophobicContact CZ3-CD1 3.99Å; Q548-I550 VanDerWaalsContact C-N 3.34Å; Q548-I550 PolarHBondContact O-N 3.31Å; I550-N552 VanDerWaalsContact C-N 3.29Å; I550-N552 PolarHBondContact O-N 3.45Å; I550-V553 PolarHBondContact O-N 3.49Å; I550-V554 WeakPolarHBondContact O-CG2 3.43Å; I550-V554 PolarHBondContact O-N 2.84Å; I550-V554 VanDerWaalsContact O-N 3.08Å; I550-C562 HydrophobicContact CG2-CB 4.18Å
551	A	89.7	Confident	82.7	Confident	5 Å²	5	59.1 Å²	59.1	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-38.9	177.6	0	0	0	0	0	112.1	W547 Q548 V553 V554 G555 R559	W547-A551 WeakPolarHBondContact O-CB 3.4Å; W547-A551 PolarHBondContact O-N 2.98Å; Q548-A551 PolarHBondContact O-N 3.41Å; A551-V553 VanDerWaalsContact C-N 3.34Å; A551-V553 PolarHBondContact O-N 3.48Å; A551-V554 PolarHBondContact O-N 3.26Å; A551-G555 PolarHBondContact O-N 2.9Å; A551-R559 HydrophobicContact CB-CB 4.29Å
552	N	88.8	Confident	84.5	Confident	101 Å²	101	53.3 Å²	53.3	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-35.9	177	-66.6	-9.6	0	0	0	112.4	Q548 L549 I550 G555	Q548-N552 PolarHBondContact NE2-OD1 3.38Å; Q548-N552 WeakPolarHBondContact O-CB 3.42Å; Q548-N552 PolarHBondContact O-N 2.95Å; Q548-N552 PolarHBondContact O-ND2 3.08Å; Q548-N552 PolarHBondContact O-OD1 3.28Å; L549-N552 PolarHBondContact O-N 2.93Å; I550-N552 VanDerWaalsContact C-N 3.29Å; I550-N552 PolarHBondContact O-N 3.45Å; N552-G555 PolarHBondContact O-N 3.49Å
553	V	90.2	Very high	86.1	Confident	65 Å²	65	52 Å²	52	39%	0.394	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-37.9	175.2	173.9	0	0	0	0	111.8	A530 Y534 L549 I550 A551 G555	A530-V553 HydrophobicContact CB-CB 3.92Å; A530-V553 HydrophobicContact CB-CG1 3.84Å; Y534-V553 HydrophobicContact CE2-CG2 4.02Å; L549-V553 WeakPolarHBondContact O-CG2 3.33Å; L549-V553 PolarHBondContact O-N 3.01Å; I550-V553 PolarHBondContact O-N 3.49Å; A551-V553 VanDerWaalsContact C-N 3.34Å; A551-V553 PolarHBondContact O-N 3.48Å; V553-G555 VanDerWaalsContact C-N 3.33Å
554	V	90.9	Very high	87.3	Confident	12 Å²	12	52.9 Å²	52.9	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-36.9	174	-178.8	0	0	0	0	110.7	W519 E523 A526 L527 I550 A551 T556 R557	W519-V554 HydrophobicContact CZ3-CG1 4.46Å; E523-V554 HydrophobicContact CB-CG1 4.45Å; A526-V554 HydrophobicContact CB-CG2 4.35Å; L527-V554 HydrophobicContact CB-CG2 4.08Å; L527-V554 HydrophobicContact CD1-CG2 4.3Å; I550-V554 WeakPolarHBondContact O-CG2 3.43Å; I550-V554 PolarHBondContact O-N 2.84Å; I550-V554 VanDerWaalsContact O-N 3.08Å; A551-V554 PolarHBondContact O-N 3.26Å; V554-T556 PolarHBondContact O-N 3.11Å; V554-R557 HydrophobicContact CG1-CB 3.75Å; V554-R557 HydrophobicContact CG1-CG 3.78Å
555	G	86.7	Confident	88.3	Confident	45 Å²	45	50.9 Å²	50.9	46%	0.464	25%	0.253	S	S	.	.	S	Bend	trans	71.2	-24.3	173.8	0	0	0	0	0	115.3	A551 N552 V553	A551-G555 PolarHBondContact O-N 2.9Å; N552-G555 PolarHBondContact O-N 3.49Å; V553-G555 VanDerWaalsContact C-N 3.33Å
556	T	86.1	Confident	88.8	Confident	17 Å²	17	48.3 Å²	48.3	10%	0.104	24%	0.241	C	C	.	.	S	Bend	trans	-113.7	-10.7	-173.3	66.9	0	0	0	0	113.1	V505 T508 E523 V554	V505-T556 HydrophobicContact CG1-CG2 3.32Å; T508-T556 WeakPolarHBondContact CB-O 3.2Å; T508-T556 PolarHBondContact N-O 3.24Å; T508-T556 PolarHBondContact OG1-O 3.41Å; T508-T556 VanDerWaalsContact OG1-O 3.1Å; E523-T556 VanDerWaalsContact CG-OG1 3.3Å; E523-T556 WeakPolarHBondContact CG-OG1 3.38Å; E523-T556 PolarHBondContact OE1-OG1 3.04Å; V554-T556 PolarHBondContact O-N 3.11Å
557	R	86.9	Confident	88.9	Confident	10 Å²	10	53.3 Å²	53.3	4%	0.038	26%	0.264	C	S	.	.	S	Bend	trans	-119	143.8	-178.5	-65.1	-66.8	-176.5	151.8	5.3	110.6	R517 P518 W519 E523 V554 E561	R517-R557 PolarHBondContact O-NH1 3.28Å; R517-R557 VanDerWaalsContact O-NH1 3.15Å; R517-R557 PolarHBondContact O-NH2 3.06Å; P518-R557 PolarHBondContact O-NH2 3.25Å; W519-R557 HydrophobicContact CH2-CB 4.16Å; W519-R557 HydrophobicContact CH2-CG 3.81Å; W519-R557 HydrophobicContact CZ2-CG 4.1Å; W519-R557 HydrophobicContact CZ3-CG 4.12Å; E523-R557 IonicContact OE1-NE 3.36Å; E523-R557 IonicContact OE2-CZ 3.6Å; E523-R557 IonicContact OE2-NE 3.67Å; E523-R557 PolarHBondContact OE2-NE 3Å; E523-R557 IonicContact OE2-NH2 3.42Å; E523-R557 PolarHBondContact OE2-NH2 2.71Å; V554-R557 HydrophobicContact CG1-CB 3.75Å; V554-R557 HydrophobicContact CG1-CG 3.78Å; R557-E561 HydrophobicContact CB-CB 4.3Å; R557-E561 VanDerWaalsContact CD-OE1 3.3Å; R557-E561 WeakPolarHBondContact CD-OE1 3.31Å; R557-E561 IonicContact CZ-OE1 2.87Å; R557-E561 IonicContact NE-OE1 3.44Å; R557-E561 IonicContact NH1-OE1 3.64Å; R557-E561 PolarHBondContact NH1-OE1 3.13Å
558	T	89.4	Confident	89	Confident	25 Å²	25	54.9 Å²	54.9	15%	0.153	27%	0.274	C	S	.	.			trans	-72.4	161	175.3	64.2	0	0	0	0	111.1	T508 A513 R560 E561 C562	T508-T558 HydrophobicContact CG2-CG2 4.13Å; A513-T558 HydrophobicContact CB-CG2 4.28Å; T558-R560 PolarHBondContact O-N 2.92Å; T558-E561 PolarHBondContact N-OE2 3.31Å; T558-E561 PolarHBondContact O-N 2.9Å; T558-E561 WeakPolarHBondContact OG1-CG 3.47Å; T558-E561 PolarHBondContact OG1-N 3.17Å; T558-E561 PolarHBondContact OG1-OE2 3.06Å; T558-C562 PolarHBondContact O-N 2.86Å; T558-C562 VanDerWaalsContact O-N 3.12Å; T558-C562 PolarHBondContact O-SG 3.27Å; T558-C562 VanDerWaalsContact O-SG 3.34Å
559	R	88.5	Confident	89.1	Confident	67 Å²	67	52.5 Å²	52.5	25%	0.253	26%	0.264	S	S	.	.	H	α-helix	trans	-49.4	-45.7	171.9	-173.1	-172.1	158.9	-171.2	-5.2	112.6	D544 W547 A551 C562 I563	D544-R559 IonicContact OD1-CZ 3.44Å; D544-R559 IonicContact OD1-NH1 2.7Å; D544-R559 PolarHBondContact OD1-NH1 2.98Å; D544-R559 IonicContact OD1-NH2 3.63Å; D544-R559 PolarHBondContact OD1-NH2 3.48Å; D544-R559 IonicContact OD2-CZ 2.84Å; D544-R559 IonicContact OD2-NH1 2.81Å; D544-R559 PolarHBondContact OD2-NH1 2.82Å; D544-R559 IonicContact OD2-NH2 2.85Å; W547-R559 HydrophobicContact CB-CG 3.52Å; A551-R559 HydrophobicContact CB-CB 4.29Å; R559-C562 PolarHBondContact O-N 3.04Å; R559-I563 HydrophobicContact CG-CD1 4.23Å; R559-I563 WeakPolarHBondContact O-CG1 3.34Å; R559-I563 PolarHBondContact O-N 3.3Å
560	R	86.3	Confident	89.1	Confident	183 Å²	183	52 Å²	52	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-64.8	-43.7	-178.6	-70.9	-175.7	179.4	170.8	-0.2	111.8	T558 C562 I563 I564	T558-R560 PolarHBondContact O-N 2.92Å; R560-C562 VanDerWaalsContact C-N 3.35Å; R560-C562 PolarHBondContact O-N 2.91Å; R560-I563 PolarHBondContact O-N 3.48Å; R560-I564 WeakPolarHBondContact O-CG1 3.19Å; R560-I564 PolarHBondContact O-N 3.39Å
561	E	88.5	Confident	89.1	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-41.7	177.4	-71.9	170.5	106.1	0	0	112	T508 A513 W519 R557 T558 I563 I564 R565	T508-E561 WeakPolarHBondContact CG2-OE2 3.48Å; A513-E561 HydrophobicContact CB-CG 4.42Å; W519-E561 HydrophobicContact CZ2-CB 4.4Å; R557-E561 HydrophobicContact CB-CB 4.3Å; R557-E561 VanDerWaalsContact CD-OE1 3.3Å; R557-E561 WeakPolarHBondContact CD-OE1 3.31Å; R557-E561 IonicContact CZ-OE1 2.87Å; R557-E561 IonicContact NE-OE1 3.44Å; R557-E561 IonicContact NH1-OE1 3.64Å; R557-E561 PolarHBondContact NH1-OE1 3.13Å; T558-E561 PolarHBondContact N-OE2 3.31Å; T558-E561 PolarHBondContact O-N 2.9Å; T558-E561 WeakPolarHBondContact OG1-CG 3.47Å; T558-E561 PolarHBondContact OG1-N 3.17Å; T558-E561 PolarHBondContact OG1-OE2 3.06Å; E561-I563 VanDerWaalsContact C-N 3.31Å; E561-I563 PolarHBondContact O-N 2.75Å; E561-I564 PolarHBondContact O-N 2.93Å; E561-R565 WeakPolarHBondContact O-CB 3.39Å; E561-R565 PolarHBondContact O-N 3.42Å
562	C	90.7	Very high	89.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-40.2	177.1	-63.6	0	0	0	0	111.9	L527 W547 I550 T558 R559 R560 C566	L527-C562 HydrophobicContact CD1-CB 3.88Å; W547-C562 HydrophobicContact CE3-CB 4.33Å; W547-C562 HydrophobicContact CZ3-CB 4.34Å; I550-C562 HydrophobicContact CG2-CB 4.18Å; T558-C562 PolarHBondContact O-N 2.86Å; T558-C562 VanDerWaalsContact O-N 3.12Å; T558-C562 PolarHBondContact O-SG 3.27Å; T558-C562 VanDerWaalsContact O-SG 3.34Å; R559-C562 PolarHBondContact O-N 3.04Å; R560-C562 VanDerWaalsContact C-N 3.35Å; R560-C562 PolarHBondContact O-N 2.91Å; C562-C566 WeakPolarHBondContact O-CB 3.16Å; C562-C566 PolarHBondContact O-N 3.44Å
563	I	89.4	Confident	89.2	Confident	42 Å²	42	61.1 Å²	61.1	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-48.8	176.9	-66	164.5	0	0	0	110.9	W547 R559 R560 E561 R565 C566 K567	W547-I563 HydrophobicContact CB-CD1 4.26Å; W547-I563 HydrophobicContact CB-CG1 4.43Å; W547-I563 HydrophobicContact CD2-CD1 4.01Å; W547-I563 HydrophobicContact CD2-CG1 3.35Å; W547-I563 HydrophobicContact CE3-CG1 3.51Å; W547-I563 HydrophobicContact CG-CD1 3.88Å; W547-I563 HydrophobicContact CG-CG1 3.79Å; W547-I563 HydrophobicContact CH2-CG1 4.16Å; W547-I563 HydrophobicContact CZ2-CG1 4.02Å; W547-I563 HydrophobicContact CZ3-CG1 3.92Å; R559-I563 HydrophobicContact CG-CD1 4.23Å; R559-I563 WeakPolarHBondContact O-CG1 3.34Å; R559-I563 PolarHBondContact O-N 3.3Å; R560-I563 PolarHBondContact O-N 3.48Å; E561-I563 VanDerWaalsContact C-N 3.31Å; E561-I563 PolarHBondContact O-N 2.75Å; I563-R565 VanDerWaalsContact C-N 3.33Å; I563-R565 PolarHBondContact O-N 3.48Å; I563-C566 PolarHBondContact O-N 3Å; I563-K567 PolarHBondContact O-N 3.46Å
564	I	88.7	Confident	89.3	Confident	94 Å²	94	65.7 Å²	65.7	48%	0.482	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-47.7	179.6	-68.2	166.6	0	0	0	109.7	R560 E561 C566 K567 E568	R560-I564 WeakPolarHBondContact O-CG1 3.19Å; R560-I564 PolarHBondContact O-N 3.39Å; E561-I564 PolarHBondContact O-N 2.93Å; I564-C566 VanDerWaalsContact C-N 3.31Å; I564-C566 PolarHBondContact O-N 2.69Å; I564-K567 WeakPolarHBondContact O-CB 3.41Å; I564-K567 PolarHBondContact O-N 3.38Å; I564-K567 VanDerWaalsContact O-N 3.08Å; I564-E568 PolarHBondContact O-N 3.46Å
565	R	89.8	Confident	89.3	Confident	48 Å²	48	67.9 Å²	67.9	18%	0.181	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-40.2	178.6	-174.7	57.6	169.5	176.2	0.1	112.7	W519 L527 E561 I563 K567 E568 L569	W519-R565 HydrophobicContact CD2-CB 4.35Å; W519-R565 HydrophobicContact CD2-CG 3.74Å; W519-R565 VanDerWaalsContact CE2-CB 3.48Å; W519-R565 HydrophobicContact CE3-CG 4.24Å; W519-R565 HydrophobicContact CG-CG 4.22Å; W519-R565 HydrophobicContact CH2-CB 4.08Å; W519-R565 HydrophobicContact CH2-CG 4.15Å; W519-R565 HydrophobicContact CZ2-CB 3.32Å; W519-R565 HydrophobicContact CZ2-CG 3.61Å; W519-R565 HydrophobicContact CZ3-CG 4.44Å; L527-R565 HydrophobicContact CD2-CB 4.02Å; L527-R565 HydrophobicContact CD2-CG 3.6Å; E561-R565 WeakPolarHBondContact O-CB 3.39Å; E561-R565 PolarHBondContact O-N 3.42Å; I563-R565 VanDerWaalsContact C-N 3.33Å; I563-R565 PolarHBondContact O-N 3.48Å; R565-K567 VanDerWaalsContact C-N 3.3Å; R565-K567 PolarHBondContact O-N 3.35Å; R565-E568 VanDerWaalsContact CD-OE2 3.3Å; R565-E568 WeakPolarHBondContact CD-OE2 3.25Å; R565-E568 IonicContact CZ-OE2 2.77Å; R565-E568 IonicContact NH1-OE2 3.2Å; R565-E568 PolarHBondContact NH1-OE2 2.8Å; R565-E568 PolarHBondContact O-N 3.2Å; R565-L569 HydrophobicContact CG-CD1 4.23Å; R565-L569 VanDerWaalsContact O-CG 3.3Å; R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.06Å
566	C	89.5	Confident	89.5	Confident	37 Å²	37	72.9 Å²	72.9	25%	0.25	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-36.6	176.5	-167.5	0	0	0	0	112	W547 C562 I563 I564 L569 A570	W547-C566 HydrophobicContact CH2-CB 3.8Å; W547-C566 HydrophobicContact CZ3-CB 4.32Å; C562-C566 WeakPolarHBondContact O-CB 3.16Å; C562-C566 PolarHBondContact O-N 3.44Å; I563-C566 PolarHBondContact O-N 3Å; I564-C566 VanDerWaalsContact C-N 3.31Å; I564-C566 PolarHBondContact O-N 2.69Å; C566-L569 PolarHBondContact O-N 3.44Å; C566-A570 WeakPolarHBondContact O-CB 3.46Å; C566-A570 PolarHBondContact O-N 3.03Å
567	K	89.9	Confident	89.8	Confident	151 Å²	151	79.1 Å²	79.1	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-66.1	-44	174.3	-70.9	179.9	177.9	-177.5	0	111.7	I563 I564 R565 L569 A570 E571	I563-K567 PolarHBondContact O-N 3.46Å; I564-K567 WeakPolarHBondContact O-CB 3.41Å; I564-K567 PolarHBondContact O-N 3.38Å; I564-K567 VanDerWaalsContact O-N 3.08Å; R565-K567 VanDerWaalsContact C-N 3.3Å; R565-K567 PolarHBondContact O-N 3.35Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.88Å; K567-A570 PolarHBondContact O-N 3.41Å; K567-E571 PolarHBondContact O-N 2.91Å
568	E	90.2	Very high	89.9	Confident	78 Å²	78	81.6 Å²	81.6	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-58.4	-45	174.8	-68.6	174.3	177.2	0	0	111.8	I564 R565 A570 E571 Q572	I564-E568 PolarHBondContact O-N 3.46Å; R565-E568 VanDerWaalsContact CD-OE2 3.3Å; R565-E568 WeakPolarHBondContact CD-OE2 3.25Å; R565-E568 IonicContact CZ-OE2 2.77Å; R565-E568 IonicContact NH1-OE2 3.2Å; R565-E568 PolarHBondContact NH1-OE2 2.8Å; R565-E568 PolarHBondContact O-N 3.2Å; E568-A570 PolarHBondContact O-N 2.97Å; E568-E571 PolarHBondContact O-N 2.69Å; E568-Q572 WeakPolarHBondContact O-CG 3.26Å; E568-Q572 PolarHBondContact O-N 3.46Å
569	L	88.9	Confident	89.7	Confident	38 Å²	38	83.2 Å²	83.2	20%	0.199	42%	0.416	C	S	.	.	H	α-helix	trans	-63.9	-40.8	178.2	-69	168.9	0	0	0	111.7	L527 R565 C566 K567 E571 Q572 V573	L527-L569 HydrophobicContact CD2-CD1 4.37Å; R565-L569 HydrophobicContact CG-CD1 4.23Å; R565-L569 VanDerWaalsContact O-CG 3.3Å; R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.06Å; C566-L569 PolarHBondContact O-N 3.44Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 2.88Å; L569-E571 VanDerWaalsContact C-N 3.31Å; L569-E571 PolarHBondContact O-N 3.19Å; L569-Q572 PolarHBondContact O-N 3.42Å; L569-V573 VanDerWaalsContact O-CG2 3.3Å; L569-V573 WeakPolarHBondContact O-CG2 3.28Å; L569-V573 PolarHBondContact O-N 3.42Å
570	A	90.1	Very high	89.7	Confident	62 Å²	62	85 Å²	85	51%	0.512	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-40.2	175.9	0	0	0	0	0	111.8	C566 K567 E568 V573 R574	C566-A570 WeakPolarHBondContact O-CB 3.46Å; C566-A570 PolarHBondContact O-N 3.03Å; K567-A570 PolarHBondContact O-N 3.41Å; E568-A570 PolarHBondContact O-N 2.97Å; A570-V573 PolarHBondContact O-N 3.46Å; A570-R574 WeakPolarHBondContact O-CB 3.49Å; A570-R574 PolarHBondContact O-N 3.21Å
571	E	92.3	Very high	89.7	Confident	111 Å²	111	78.8 Å²	78.8	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-67.1	-42.7	175.5	-179.4	151.2	-123.6	0	0	112.5	K567 E568 L569 V573 R574 A575	K567-E571 PolarHBondContact O-N 2.91Å; E568-E571 PolarHBondContact O-N 2.69Å; L569-E571 VanDerWaalsContact C-N 3.31Å; L569-E571 PolarHBondContact O-N 3.19Å; E571-V573 VanDerWaalsContact C-N 3.33Å; E571-V573 PolarHBondContact O-N 2.8Å; E571-R574 WeakPolarHBondContact O-CB 3.29Å; E571-R574 PolarHBondContact O-N 2.87Å; E571-R574 IonicContact OE1-NH2 3.39Å; E571-R574 PolarHBondContact OE1-NH2 3.3Å; E571-A575 WeakPolarHBondContact O-CB 3.4Å; E571-A575 PolarHBondContact O-N 3.11Å
572	Q	89.4	Confident	89.3	Confident	106 Å²	106	81 Å²	81	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-60.9	-41.3	174.6	-72.7	173.8	21.2	0	0	112	E568 L569 A575 K576	E568-Q572 WeakPolarHBondContact O-CG 3.26Å; E568-Q572 PolarHBondContact O-N 3.46Å; L569-Q572 PolarHBondContact O-N 3.42Å; Q572-A575 PolarHBondContact O-N 3.37Å; Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 3.08Å
573	V	91	Very high	88.7	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.485	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-41.7	175.4	171.2	0	0	0	0	111	L569 A570 E571 K576 K577	L569-V573 VanDerWaalsContact O-CG2 3.3Å; L569-V573 WeakPolarHBondContact O-CG2 3.28Å; L569-V573 PolarHBondContact O-N 3.42Å; A570-V573 PolarHBondContact O-N 3.46Å; E571-V573 VanDerWaalsContact C-N 3.33Å; E571-V573 PolarHBondContact O-N 2.8Å; V573-K576 PolarHBondContact O-N 3.3Å; V573-K577 HydrophobicContact CG1-CD 4.43Å; V573-K577 WeakPolarHBondContact O-CB 3.34Å; V573-K577 WeakPolarHBondContact O-CG 3.35Å; V573-K577 PolarHBondContact O-N 3.45Å
574	R	92.4	Very high	88.1	Confident	161 Å²	161	90.8 Å²	90.8	61%	0.608	49%	0.491	S	S	*	.	H	α-helix	trans	-62.7	-45.8	175.9	-177	175.9	64	178.7	-0.5	111.4	A570 E571 K577 A578	A570-R574 WeakPolarHBondContact O-CB 3.49Å; A570-R574 PolarHBondContact O-N 3.21Å; E571-R574 WeakPolarHBondContact O-CB 3.29Å; E571-R574 PolarHBondContact O-N 2.87Å; E571-R574 IonicContact OE1-NH2 3.39Å; E571-R574 PolarHBondContact OE1-NH2 3.3Å; R574-K577 PolarHBondContact O-N 3.2Å; R574-A578 WeakPolarHBondContact O-CB 3.14Å; R574-A578 PolarHBondContact O-N 3.31Å
575	A	90.3	Very high	87.2	Confident	58 Å²	58	95.5 Å²	95.5	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.4	0	0	0	0	0	111.7	E571 Q572 K577 A578 A579	E571-A575 WeakPolarHBondContact O-CB 3.4Å; E571-A575 PolarHBondContact O-N 3.11Å; Q572-A575 PolarHBondContact O-N 3.37Å; A575-K577 PolarHBondContact O-N 3.39Å; A575-A578 PolarHBondContact O-N 3.48Å; A575-A579 WeakPolarHBondContact O-CB 3.46Å; A575-A579 PolarHBondContact O-N 3.09Å
576	K	91.8	Very high	85.6	Confident	149 Å²	149	100.1 Å²	100.1	65%	0.648	55%	0.548	S	S	*	.	H	α-helix	trans	-64	-40.3	176	-170.9	174.6	-178.7	176.8	0	112.3	Q572 V573 A579 L580	Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 3.08Å; V573-K576 PolarHBondContact O-N 3.3Å; K576-A579 PolarHBondContact O-N 3.44Å; K576-L580 HydrophobicContact CG-CD1 4.32Å; K576-L580 WeakPolarHBondContact O-CB 3.48Å; K576-L580 WeakPolarHBondContact O-CG 3.35Å; K576-L580 PolarHBondContact O-N 3.01Å
577	K	90.9	Very high	85.4	Confident	149 Å²	149	103.3 Å²	103.3	65%	0.648	56%	0.562	S	S	*	*	H	α-helix	trans	-64.5	-42.3	174.1	-78	-177.2	178.1	-177.2	0	111.8	V573 R574 A575 L580 A581	V573-K577 HydrophobicContact CG1-CD 4.43Å; V573-K577 WeakPolarHBondContact O-CB 3.34Å; V573-K577 WeakPolarHBondContact O-CG 3.35Å; V573-K577 PolarHBondContact O-N 3.45Å; R574-K577 PolarHBondContact O-N 3.2Å; A575-K577 PolarHBondContact O-N 3.39Å; K577-L580 PolarHBondContact O-N 3.27Å; K577-A581 WeakPolarHBondContact O-CB 3.39Å; K577-A581 PolarHBondContact O-N 2.85Å
578	A	88.9	Confident	85.1	Confident	62 Å²	62	100.7 Å²	100.7	51%	0.512	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-43	176	0	0	0	0	0	111.7	R574 A575 A581 A582	R574-A578 WeakPolarHBondContact O-CB 3.14Å; R574-A578 PolarHBondContact O-N 3.31Å; A575-A578 PolarHBondContact O-N 3.48Å; A578-A581 PolarHBondContact O-N 3.24Å; A578-A582 WeakPolarHBondContact O-CB 3.29Å; A578-A582 PolarHBondContact O-N 3.46Å
579	A	86.6	Confident	84.9	Confident	59 Å²	59	102 Å²	102	49%	0.488	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-43.4	175.6	0	0	0	0	0	112.4	A575 K576 A581 A582 A583	A575-A579 WeakPolarHBondContact O-CB 3.46Å; A575-A579 PolarHBondContact O-N 3.09Å; K576-A579 PolarHBondContact O-N 3.44Å; A579-A581 VanDerWaalsContact C-N 3.33Å; A579-A581 PolarHBondContact O-N 3.37Å; A579-A582 PolarHBondContact O-N 2.86Å; A579-A583 WeakPolarHBondContact O-CB 3.31Å; A579-A583 PolarHBondContact O-N 3Å
580	L	87.9	Confident	84.6	Confident	103 Å²	103	105.8 Å²	105.8	54%	0.539	59%	0.59	S	S	.	*	H	α-helix	trans	-64.7	-36.2	174.4	-76.4	168	0	0	0	112.6	K576 K577 K584	K576-L580 HydrophobicContact CG-CD1 4.32Å; K576-L580 WeakPolarHBondContact O-CB 3.48Å; K576-L580 WeakPolarHBondContact O-CG 3.35Å; K576-L580 PolarHBondContact O-N 3.01Å; K577-L580 PolarHBondContact O-N 3.27Å; L580-K584 WeakPolarHBondContact O-CG 3.32Å; L580-K584 PolarHBondContact O-N 3.12Å; L580-K584 VanDerWaalsContact O-N 3.11Å
581	A	85.9	Confident	84.3	Confident	53 Å²	53	108.5 Å²	108.5	44%	0.438	60%	0.595	S	S	.	*	H	α-helix	trans	-69.8	-36.2	175.4	0	0	0	0	0	112	K577 A578 A579 K584 K585	K577-A581 WeakPolarHBondContact O-CB 3.39Å; K577-A581 PolarHBondContact O-N 2.85Å; A578-A581 PolarHBondContact O-N 3.24Å; A579-A581 VanDerWaalsContact C-N 3.33Å; A579-A581 PolarHBondContact O-N 3.37Å; A581-K584 PolarHBondContact O-N 3.15Å; A581-K585 PolarHBondContact O-N 3.39Å
582	A	80.9	Confident	83.7	Confident	60 Å²	60	108.3 Å²	108.3	50%	0.496	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-43.8	173.2	0	0	0	0	0	111.5	A578 A579 K584 K585 S586	A578-A582 WeakPolarHBondContact O-CB 3.29Å; A578-A582 PolarHBondContact O-N 3.46Å; A579-A582 PolarHBondContact O-N 2.86Å; A582-K584 PolarHBondContact O-N 3.43Å; A582-K585 PolarHBondContact O-N 2.91Å; A582-S586 PolarHBondContact O-N 3.36Å
583	A	78.2	Confident	83.3	Confident	60 Å²	60	108.5 Å²	108.5	50%	0.496	61%	0.607	S	S	.	*	H	α-helix	trans	-67.2	-21	177.2	0	0	0	0	0	114.1	A579 S586	A579-A583 WeakPolarHBondContact O-CB 3.31Å; A579-A583 PolarHBondContact O-N 3Å; A583-S586 PolarHBondContact O-OG 2.99Å; A583-S586 VanDerWaalsContact O-OG 3.14Å
584	K	76.4	Confident	82.8	Confident	188 Å²	188	110.7 Å²	110.7	82%	0.817	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-15.1	170.8	-80.8	-174.5	176.8	-172.7	0	113.6	L580 A581 A582	L580-K584 WeakPolarHBondContact O-CG 3.32Å; L580-K584 PolarHBondContact O-N 3.12Å; L580-K584 VanDerWaalsContact O-N 3.11Å; A581-K584 PolarHBondContact O-N 3.15Å; A582-K584 PolarHBondContact O-N 3.43Å
585	K	70.3	Confident	81.9	Confident	192 Å²	192	106.5 Å²	106.5	84%	0.835	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-26.7	178.3	-76.2	-177.1	177.9	-174.2	0	112.6	A581 A582	A581-K585 PolarHBondContact O-N 3.39Å; A582-K585 PolarHBondContact O-N 2.91Å
586	S	55.4	Low	81.2	Confident	145 Å²	145	110.9 Å²	110.9	100%	1.014	63%	0.63	S	S	*	*			trans	-76.7	0	164.7	62.5	0	0	0	0	110.4	A582 A583	A582-S586 PolarHBondContact O-N 3.36Å; A583-S586 PolarHBondContact O-OG 2.99Å; A583-S586 VanDerWaalsContact O-OG 3.14Å

Retrieved 586 of 586 residues in 1117.5 ms (Link to these results)

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