A0A5K4F3I1_SCHMA Loading...

GT23 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3I1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 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	26.7	Very low	31.3	Very low	188 Å²	188	129.3 Å²	129.3	93%	0.926	59%	0.59	S	S	*	*				0	117.6	0	-92.9	164.2	140.7	0	0	107.4	Y3	M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 HydrophobicContact CB-CD2 4.31Å; M1-Y3 HydrophobicContact CB-CE2 4.16Å; M1-Y3 PolarHBondContact O-N 2.78Å
2	R	22.5	Very low	32.2	Very low	259 Å²	259	120.5 Å²	120.5	98%	0.977	55%	0.553	S	S	*	*			trans	-65.6	95.4	170.5	-85.3	-179.8	177.2	171.6	-1.2	107.5	S4	R2-S4 PolarHBondContact O-N 3.49Å
3	Y	27.9	Very low	33.2	Very low	162 Å²	162	114.3 Å²	114.3	64%	0.635	53%	0.529	S	S	*	.			trans	-68.4	98	170.5	-86.9	-82.4	0	0	0	108.2	M1 R5	M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 HydrophobicContact CB-CD2 4.31Å; M1-Y3 HydrophobicContact CB-CE2 4.16Å; M1-Y3 PolarHBondContact O-N 2.78Å; Y3-R5 PolarHBondContact O-N 3.36Å; Y3-R5 VanDerWaalsContact O-N 3.14Å
4	S	27.8	Very low	34	Very low	94 Å²	94	110.4 Å²	110.4	66%	0.657	51%	0.513	S	S	*	.			trans	-63.4	110.9	163.8	169.6	0	0	0	0	107.7	R2 K6	R2-S4 PolarHBondContact O-N 3.49Å; S4-K6 PolarHBondContact O-N 3.23Å
5	R	28.9	Very low	34.7	Very low	148 Å²	148	107.9 Å²	107.9	56%	0.558	50%	0.498	S	S	*	.			trans	-22.5	102.6	152.1	-76.7	172.2	167	-172.7	-11.9	110.8	Y3 D489	Y3-R5 PolarHBondContact O-N 3.36Å; Y3-R5 VanDerWaalsContact O-N 3.14Å; R5-D489 IonicContact NH2-OD2 3.16Å
6	K	29.9	Very low	35.5	Very low	139 Å²	139	104.6 Å²	104.6	60%	0.604	48%	0.484	S	S	*	.			trans	-175.2	120.3	157.4	-101.7	157.2	-167.6	-169.3	0	109.9	S4	S4-K6 PolarHBondContact O-N 3.23Å
7	E	32.7	Very low	36.2	Very low	93 Å²	93	100 Å²	100	44%	0.435	47%	0.466	S	S	.	.			trans	81.6	83.7	143.5	-62	173.3	-176.6	0	0	118.4	S69	E7-S69 WeakPolarHBondContact CG-OG 3.45Å; E7-S69 VanDerWaalsContact OE2-CA 3.25Å; E7-S69 WeakPolarHBondContact OE2-CA 3.4Å; E7-S69 PolarHBondContact OE2-OG 3.5Å
8	F	33.1	Very low	36.7	Very low	160 Å²	160	97.8 Å²	97.8	70%	0.702	46%	0.458	S	S	*	.			trans	-141.5	113.3	133.5	-151.2	-98.4	0	0	0	106.7	L10	F8-L10 HydrophobicContact CE1-CD1 4.11Å
9	N	39.7	Very low	37.4	Very low	76 Å²	76	94.1 Å²	94.1	41%	0.406	44%	0.441	S	S	.	.			trans	-146.3	115.8	177.8	-139.7	13.3	0	0	0	108.4	S11 I491	N9-S11 VanDerWaalsContact C-N 3.31Å; N9-S11 PolarHBondContact O-N 3.39Å; N9-I491 WeakPolarHBondContact ND2-CD1 3.46Å
10	L	38.5	Very low	37.8	Very low	77 Å²	77	93.1 Å²	93.1	40%	0.403	44%	0.443	S	S	.	.			trans	-85.4	71.9	-173.3	-147.9	95.1	0	0	0	109.8	F8 V12 L162	F8-L10 HydrophobicContact CE1-CD1 4.11Å; L10-V12 PolarHBondContact O-N 3.15Å; L10-L162 HydrophobicContact CD1-CB 4.49Å; L10-L162 HydrophobicContact CD1-CD1 3.54Å; L10-L162 HydrophobicContact CD1-CD2 3.81Å; L10-L162 HydrophobicContact CD1-CG 4.14Å; L10-L162 HydrophobicContact CD2-CD1 3.33Å; L10-L162 HydrophobicContact CG-CD1 3.63Å
11	S	37	Very low	38.2	Very low	26 Å²	26	91.4 Å²	91.4	18%	0.182	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	51.2	-164.1	55.2	0	0	0	0	115.6	N9 I66	N9-S11 VanDerWaalsContact C-N 3.31Å; N9-S11 PolarHBondContact O-N 3.39Å; S11-I66 WeakPolarHBondContact OG-CD1 3.48Å; S11-I66 WeakPolarHBondContact OG-CG1 3.41Å
12	V	41.2	Very low	39.3	Very low	24 Å²	24	83.5 Å²	83.5	15%	0.145	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-4.6	175.1	-179.1	0	0	0	0	115.4	L10 L14 I66 I107 T110 L158	L10-V12 PolarHBondContact O-N 3.15Å; V12-L14 PolarHBondContact O-N 3.37Å; V12-I66 HydrophobicContact CG2-CD1 3.62Å; V12-I107 HydrophobicContact CB-CD1 4.49Å; V12-I107 HydrophobicContact CB-CG1 4.1Å; V12-I107 HydrophobicContact CG1-CB 4.48Å; V12-I107 HydrophobicContact CG1-CG1 4.04Å; V12-I107 HydrophobicContact CG1-CG2 4.42Å; V12-I107 HydrophobicContact CG2-CB 4.19Å; V12-I107 HydrophobicContact CG2-CD1 3.7Å; V12-I107 HydrophobicContact CG2-CG1 3.62Å; V12-I107 HydrophobicContact CG2-CG2 3.67Å; V12-T110 HydrophobicContact CG1-CG2 4.32Å; V12-L158 HydrophobicContact CB-CD2 3.99Å; V12-L158 HydrophobicContact CG1-CD2 3.89Å
13	V	45.6	Very low	40.5	Very low	40 Å²	40	72.5 Å²	72.5	24%	0.242	36%	0.36	C	S	.	.	S	Bend	trans	-90.4	3.3	-175.6	-173.7	0	0	0	0	113.9	I155	V13-I155 HydrophobicContact CG1-CG2 4.25Å
14	L	45.2	Very low	41.5	Very low	60 Å²	60	70 Å²	70	31%	0.314	36%	0.357	S	S	.	.			trans	-119.2	39	-154.6	-77.1	148.5	0	0	0	117.9	V12 Y545	V12-L14 PolarHBondContact O-N 3.37Å; L14-Y545 HydrophobicContact CB-CD1 3.73Å; L14-Y545 HydrophobicContact CB-CE1 4.45Å; L14-Y545 HydrophobicContact CB-CG 4.49Å; L14-Y545 VanDerWaalsContact CD1-CB 3.47Å; L14-Y545 HydrophobicContact CD1-CD1 4.29Å; L14-Y545 HydrophobicContact CD1-CG 4.27Å; L14-Y545 HydrophobicContact CG-CD1 4.45Å
15	W	44	Very low	42.4	Very low	73 Å²	73	67 Å²	67	28%	0.277	34%	0.336	S	S	.	.	S	Bend	trans	-126.6	-2.3	160.3	-76.5	102	0	0	0	114.8	P17 L18 V55 W58	W15-P17 VanDerWaalsContact C-N 3.31Å; W15-P17 WeakPolarHBondContact O-CD 3.39Å; W15-L18 HydrophobicContact CE3-CD1 4.16Å; W15-L18 HydrophobicContact CZ3-CD1 4.14Å; W15-V55 HydrophobicContact CB-CG1 4.42Å; W15-V55 HydrophobicContact CD2-CB 4.22Å; W15-V55 HydrophobicContact CD2-CG1 3.4Å; W15-V55 HydrophobicContact CD2-CG2 3.79Å; W15-V55 VanDerWaalsContact CE2-CG1 3.42Å; W15-V55 HydrophobicContact CE3-CB 4.31Å; W15-V55 HydrophobicContact CE3-CG1 3.92Å; W15-V55 HydrophobicContact CE3-CG2 3.42Å; W15-V55 VanDerWaalsContact CE3-CG2 3.42Å; W15-V55 HydrophobicContact CG-CG1 3.62Å; W15-V55 HydrophobicContact CH2-CB 4.33Å; W15-V55 HydrophobicContact CH2-CG1 4.42Å; W15-V55 HydrophobicContact CH2-CG2 3.33Å; W15-V55 HydrophobicContact CZ2-CB 4.21Å; W15-V55 HydrophobicContact CZ2-CG1 3.95Å; W15-V55 HydrophobicContact CZ2-CG2 3.69Å; W15-V55 HydrophobicContact CZ3-CB 4.37Å; W15-V55 HydrophobicContact CZ3-CG1 4.41Å; W15-V55 HydrophobicContact CZ3-CG2 3.18Å; W15-W58 AromaticContact NE1-CE3 3.81Å; W15-W58 AromaticContact NE1-CZ3 3.77Å
16	L	47.5	Very low	43.5	Very low	54 Å²	54	61 Å²	61	28%	0.283	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-28.2	171.6	-83.7	174.6	0	0	0	117.1	L18 L19 P20 V151 I155	L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.47Å; L16-L19 HydrophobicContact CD2-CD1 3.83Å; L16-L19 VanDerWaalsContact O-CB 3.24Å; L16-L19 WeakPolarHBondContact O-CB 3.14Å; L16-L19 PolarHBondContact O-N 2.97Å; L16-P20 WeakPolarHBondContact O-CD 3.43Å; L16-V151 HydrophobicContact CD2-CG1 3.72Å; L16-I155 HydrophobicContact CD1-CD1 3.29Å; L16-I155 HydrophobicContact CD2-CD1 4.03Å; L16-I155 HydrophobicContact CG-CD1 3.65Å
17	P	46.5	Very low	44.1	Very low	27 Å²	27	60.4 Å²	60.4	18%	0.175	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.6	-168.7	-4.9	21.2	0	0	0	116.1	W15 L19 N513	W15-P17 VanDerWaalsContact C-N 3.31Å; W15-P17 WeakPolarHBondContact O-CD 3.39Å; P17-L19 VanDerWaalsContact C-N 3.34Å; P17-N513 HydrophobicContact CB-CB 3.68Å; P17-N513 WeakPolarHBondContact CB-O 3.4Å; P17-N513 VanDerWaalsContact CG-O 3.27Å; P17-N513 WeakPolarHBondContact CG-O 3.41Å
18	L	46	Very low	44.7	Very low	61 Å²	61	58.9 Å²	58.9	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-78.8	-19	158.5	-81.7	160.9	0	0	0	111.8	W15 L16 V21 L22 V51	W15-L18 HydrophobicContact CE3-CD1 4.16Å; W15-L18 HydrophobicContact CZ3-CD1 4.14Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.47Å; L18-V21 PolarHBondContact O-N 3.17Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 2.9Å; L18-V51 HydrophobicContact CD1-CG1 3.78Å
19	L	49.2	Very low	45.3	Very low	27 Å²	27	54.5 Å²	54.5	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-41.3	176.9	-85.1	105.4	0	0	0	113.8	L16 P17 V21 L22 M23 Y147 R148	L16-L19 HydrophobicContact CD2-CD1 3.83Å; L16-L19 VanDerWaalsContact O-CB 3.24Å; L16-L19 WeakPolarHBondContact O-CB 3.14Å; L16-L19 PolarHBondContact O-N 2.97Å; P17-L19 VanDerWaalsContact C-N 3.34Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.93Å; L19-L22 PolarHBondContact O-N 2.99Å; L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 WeakPolarHBondContact O-CG 3.1Å; L19-M23 PolarHBondContact O-N 3.47Å; L19-Y147 HydrophobicContact CD2-CD1 4.47Å; L19-Y147 HydrophobicContact CD2-CE1 4.26Å; L19-R148 HydrophobicContact CD2-CB 4.17Å; L19-R148 HydrophobicContact CD2-CG 4.04Å
20	P	45.6	Very low	45.6	Very low	73 Å²	73	53.9 Å²	53.9	47%	0.474	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-36.1	173.2	-24.8	32.8	0	0	0	112.1	L16 L24	L16-P20 WeakPolarHBondContact O-CD 3.43Å; P20-L24 WeakPolarHBondContact O-CB 3.41Å; P20-L24 WeakPolarHBondContact O-CD1 3.4Å; P20-L24 WeakPolarHBondContact O-CG 3.46Å; P20-L24 PolarHBondContact O-N 2.87Å
21	V	45.6	Very low	45.9	Very low	59 Å²	59	60.4 Å²	60.4	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-71	-43.8	177	-179.2	0	0	0	0	110.6	L18 L19 L24 C25	L18-V21 PolarHBondContact O-N 3.17Å; L19-V21 VanDerWaalsContact C-N 3.27Å; L19-V21 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 3.42Å; V21-C25 VanDerWaalsContact O-CB 3.32Å; V21-C25 WeakPolarHBondContact O-CB 2.88Å; V21-C25 PolarHBondContact O-N 3.34Å; V21-C25 PolarHBondContact O-SG 3.25Å
22	L	49.9	Very low	46.3	Very low	22 Å²	22	65.1 Å²	65.1	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-44.7	174.9	-154.3	88.9	0	0	0	110.5	L18 L19 C25 I26 N48 L144	L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 2.99Å; L22-C25 PolarHBondContact O-N 2.96Å; L22-I26 HydrophobicContact CD2-CD1 4.03Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 VanDerWaalsContact O-CB 3.29Å; L22-I26 WeakPolarHBondContact O-CB 3.04Å; L22-I26 VanDerWaalsContact O-CD1 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.24Å; L22-N48 HydrophobicContact CD1-CB 4.47Å; L22-L144 HydrophobicContact CD2-CD2 4.4Å
23	M	49.3	Very low	46.4	Very low	28 Å²	28	71.3 Å²	71.3	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-37.5	178.2	-73.8	-60.9	-156.6	0	0	112.4	L19 I26 E27 R148	L19-M23 WeakPolarHBondContact O-CB 3.44Å; L19-M23 WeakPolarHBondContact O-CG 3.1Å; L19-M23 PolarHBondContact O-N 3.47Å; M23-I26 CarbonylContact O-C 3.57Å; M23-I26 PolarHBondContact O-N 3.35Å; M23-I26 HydrophobicContact SD-CD1 4.41Å; M23-E27 VanDerWaalsContact O-CB 3.31Å; M23-E27 WeakPolarHBondContact O-CB 3.2Å; M23-E27 WeakPolarHBondContact O-CG 3.33Å; M23-E27 PolarHBondContact O-N 3.25Å; M23-R148 HydrophobicContact CE-CB 3.92Å; M23-R148 HydrophobicContact CE-CG 4.28Å
24	L	48.2	Very low	46.1	Very low	110 Å²	110	75.7 Å²	75.7	58%	0.576	37%	0.37	S	S	*	.	H	α-helix	trans	-67.3	-40.5	171.7	-78.9	165.8	0	0	0	110.9	P20 V21 I26 D28	P20-L24 WeakPolarHBondContact O-CB 3.41Å; P20-L24 WeakPolarHBondContact O-CD1 3.4Å; P20-L24 WeakPolarHBondContact O-CG 3.46Å; P20-L24 PolarHBondContact O-N 2.87Å; V21-L24 PolarHBondContact O-N 3.42Å; L24-I26 VanDerWaalsContact C-N 3.28Å; L24-I26 PolarHBondContact O-N 2.91Å; L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.34Å
25	C	47.6	Very low	45.8	Very low	30 Å²	30	77.4 Å²	77.4	20%	0.203	39%	0.387	C	S	.	.	H	α-helix	trans	-63.8	-36.7	173.8	-72.6	0	0	0	0	111.7	V21 L22 Y29 L45	V21-C25 VanDerWaalsContact O-CB 3.32Å; V21-C25 WeakPolarHBondContact O-CB 2.88Å; V21-C25 PolarHBondContact O-N 3.34Å; V21-C25 PolarHBondContact O-SG 3.25Å; L22-C25 PolarHBondContact O-N 2.96Å; C25-Y29 WeakPolarHBondContact O-CB 3.34Å; C25-Y29 PolarHBondContact O-N 3.43Å; C25-L45 HydrophobicContact CB-CD1 4.1Å
26	I	49.9	Very low	45.5	Very low	21 Å²	21	79.4 Å²	79.4	11%	0.108	41%	0.412	C	S	.	.	H	α-helix	trans	-72.1	-51.3	176.8	-71.5	163.9	0	0	0	110	L22 M23 L24 D28 Y29 F30 L144	L22-I26 HydrophobicContact CD2-CD1 4.03Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 VanDerWaalsContact O-CB 3.29Å; L22-I26 WeakPolarHBondContact O-CB 3.04Å; L22-I26 VanDerWaalsContact O-CD1 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.24Å; M23-I26 CarbonylContact O-C 3.57Å; M23-I26 PolarHBondContact O-N 3.35Å; M23-I26 HydrophobicContact SD-CD1 4.41Å; L24-I26 VanDerWaalsContact C-N 3.28Å; L24-I26 PolarHBondContact O-N 2.91Å; I26-D28 PolarHBondContact O-N 3.14Å; I26-Y29 CarbonylContact O-C 3.58Å; I26-Y29 WeakPolarHBondContact O-CA 3.29Å; I26-Y29 VanDerWaalsContact O-CB 3.28Å; I26-Y29 WeakPolarHBondContact O-CB 3.21Å; I26-Y29 PolarHBondContact O-N 2.99Å; I26-Y29 VanDerWaalsContact O-N 3.15Å; I26-F30 HydrophobicContact CG2-CD2 3.79Å; I26-F30 HydrophobicContact CG2-CE2 3.6Å; I26-F30 WeakPolarHBondContact O-CD2 3.48Å; I26-F30 PolarHBondContact O-N 2.97Å; I26-L144 HydrophobicContact CD1-CD1 3.61Å
27	E	44.2	Very low	45	Very low	127 Å²	127	85.6 Å²	85.6	59%	0.593	44%	0.437	S	S	*	.	H	α-helix	trans	-60.4	-42.7	176.3	-82.7	-173.6	155.6	0	0	112	M23 Y29 F30 R31	M23-E27 VanDerWaalsContact O-CB 3.31Å; M23-E27 WeakPolarHBondContact O-CB 3.2Å; M23-E27 WeakPolarHBondContact O-CG 3.33Å; M23-E27 PolarHBondContact O-N 3.25Å; E27-Y29 VanDerWaalsContact C-N 3.34Å; E27-F30 PolarHBondContact O-N 3.23Å; E27-R31 VanDerWaalsContact O-CB 3.23Å; E27-R31 WeakPolarHBondContact O-CB 3.31Å; E27-R31 PolarHBondContact O-N 3.48Å
28	D	45.1	Very low	44.8	Very low	61 Å²	61	89.1 Å²	89.1	33%	0.326	46%	0.458	S	S	.	.	H	α-helix	trans	-67.7	-34.7	175.5	-161.8	44.7	0	0	0	111.1	L24 I26 R31 K32	L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.34Å; I26-D28 PolarHBondContact O-N 3.14Å; D28-R31 PolarHBondContact O-N 3.44Å; D28-K32 VanDerWaalsContact CG-NZ 3.31Å; D28-K32 VanDerWaalsContact O-CB 3.3Å; D28-K32 WeakPolarHBondContact O-CB 3.41Å; D28-K32 PolarHBondContact O-N 3.31Å; D28-K32 WeakPolarHBondContact OD1-CD 3.28Å; D28-K32 WeakPolarHBondContact OD1-CE 3.38Å; D28-K32 IonicContact OD1-NZ 2.65Å; D28-K32 PolarHBondContact OD1-NZ 3.26Å; D28-K32 VanDerWaalsContact OD1-NZ 3.12Å; D28-K32 WeakPolarHBondContact OD2-CE 3.37Å; D28-K32 IonicContact OD2-NZ 2.93Å; D28-K32 PolarHBondContact OD2-NZ 3.35Å
29	Y	44.5	Very low	44.5	Very low	68 Å²	68	93.4 Å²	93.4	27%	0.267	48%	0.477	S	S	.	.	H	α-helix	trans	-60.3	-41.4	168.9	171.1	-88.5	0	0	0	112.1	C25 I26 E27 V137	C25-Y29 WeakPolarHBondContact O-CB 3.34Å; C25-Y29 PolarHBondContact O-N 3.43Å; I26-Y29 CarbonylContact O-C 3.58Å; I26-Y29 WeakPolarHBondContact O-CA 3.29Å; I26-Y29 VanDerWaalsContact O-CB 3.28Å; I26-Y29 WeakPolarHBondContact O-CB 3.21Å; I26-Y29 PolarHBondContact O-N 2.99Å; I26-Y29 VanDerWaalsContact O-N 3.15Å; E27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-V137 HydrophobicContact CE1-CG1 4.26Å
30	F	46.2	Very low	43.9	Very low	63 Å²	63	99.6 Å²	99.6	28%	0.276	51%	0.509	S	S	.	.	H	α-helix	trans	-77.6	-33.5	178.3	-74.9	-69.1	0	0	0	113.6	I26 E27 V137 Q141	I26-F30 HydrophobicContact CG2-CD2 3.79Å; I26-F30 HydrophobicContact CG2-CE2 3.6Å; I26-F30 WeakPolarHBondContact O-CD2 3.48Å; I26-F30 PolarHBondContact O-N 2.97Å; E27-F30 PolarHBondContact O-N 3.23Å; F30-V137 HydrophobicContact CE1-CG1 3.19Å; F30-V137 HydrophobicContact CZ-CG1 3.19Å; F30-Q141 HydrophobicContact CD2-CG 4.31Å; F30-Q141 HydrophobicContact CE1-CG 4.16Å; F30-Q141 HydrophobicContact CE2-CG 3.4Å; F30-Q141 HydrophobicContact CZ-CG 3.3Å
31	R	45.2	Very low	43.4	Very low	215 Å²	215	98.2 Å²	98.2	81%	0.811	50%	0.501	S	S	*	.	H	α-helix	trans	-76.6	-32.6	-179.1	-160.1	179.4	-160.6	-157.8	6	112.6	E27 D28 K33	E27-R31 VanDerWaalsContact O-CB 3.23Å; E27-R31 WeakPolarHBondContact O-CB 3.31Å; E27-R31 PolarHBondContact O-N 3.48Å; D28-R31 PolarHBondContact O-N 3.44Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 2.79Å
32	K	45.2	Very low	43	Very low	125 Å²	125	96.8 Å²	96.8	54%	0.543	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	14.2	-179.3	-74	176.7	176.8	157.1	0	115	D28 T34 S35	D28-K32 VanDerWaalsContact CG-NZ 3.31Å; D28-K32 VanDerWaalsContact O-CB 3.3Å; D28-K32 WeakPolarHBondContact O-CB 3.41Å; D28-K32 PolarHBondContact O-N 3.31Å; D28-K32 WeakPolarHBondContact OD1-CD 3.28Å; D28-K32 WeakPolarHBondContact OD1-CE 3.38Å; D28-K32 IonicContact OD1-NZ 2.65Å; D28-K32 PolarHBondContact OD1-NZ 3.26Å; D28-K32 VanDerWaalsContact OD1-NZ 3.12Å; D28-K32 WeakPolarHBondContact OD2-CE 3.37Å; D28-K32 IonicContact OD2-NZ 2.93Å; D28-K32 PolarHBondContact OD2-NZ 3.35Å; K32-T34 PolarHBondContact O-N 3.39Å; K32-S35 PolarHBondContact O-N 3.4Å
33	K	44.2	Very low	42.4	Very low	153 Å²	153	102.8 Å²	102.8	67%	0.665	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	30.6	173.5	-149.7	177.5	-177.9	176.9	0	114.2	R31	R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 2.79Å
34	T	38.8	Very low	41.9	Very low	133 Å²	133	102.9 Å²	102.9	82%	0.816	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	5.4	173.7	44.8	0	0	0	0	113.5	K32	K32-T34 PolarHBondContact O-N 3.39Å
35	S	38.9	Very low	41.4	Very low	95 Å²	95	99.4 Å²	99.4	66%	0.664	51%	0.508	S	S	*	.	S	Bend	trans	-158.3	141.7	179.5	178.1	0	0	0	0	113.4	K32 K37	K32-S35 PolarHBondContact O-N 3.4Å; S35-K37 PolarHBondContact O-N 3.2Å
36	S	37.3	Very low	41	Very low	115 Å²	115	102.5 Å²	102.5	80%	0.804	52%	0.521	S	S	*	.	S	Bend	trans	-72.9	57.1	-159.4	55.3	0	0	0	0	117.9
37	K	36.6	Very low	40.6	Very low	184 Å²	184	106.5 Å²	106.5	80%	0.8	54%	0.543	S	S	*	.			trans	-126.3	51.5	176.8	-78.6	-174.3	174.2	179	0	115	S35	S35-K37 PolarHBondContact O-N 3.2Å
38	T	43.4	Very low	40.4	Very low	101 Å²	101	102.5 Å²	102.5	62%	0.62	53%	0.526	S	S	*	.	H	α-helix	trans	-78.4	-20.3	-174	28.7	0	0	0	0	116
39	E	38.5	Very low	40	Very low	152 Å²	152	99.8 Å²	99.8	71%	0.71	51%	0.512	S	S	*	.	H	α-helix	trans	-87.4	-35.9	-168.9	-148.1	175.4	-167.1	0	0	114.6	C41	E39-C41 VanDerWaalsContact C-N 3.33Å; E39-C41 PolarHBondContact O-N 3.17Å
40	L	37.6	Very low	39.5	Very low	157 Å²	157	99.6 Å²	99.6	82%	0.822	52%	0.52	S	S	*	.	H	α-helix	trans	-70.6	-30.2	178.2	-115	93.2	0	0	0	112.6	G44	L40-G44 PolarHBondContact O-N 3.03Å
41	C	35.1	Very low	39.2	Very low	44 Å²	44	99 Å²	99	30%	0.297	52%	0.521	S	S	.	.	H	α-helix	trans	-78.4	-36	-174.2	-150.3	0	0	0	0	112.1	E39 K43 G44 L45	E39-C41 VanDerWaalsContact C-N 3.33Å; E39-C41 PolarHBondContact O-N 3.17Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 2.67Å; C41-G44 PolarHBondContact O-N 3.3Å; C41-G44 VanDerWaalsContact O-N 3.11Å; C41-L45 PolarHBondContact O-N 3.25Å
42	C	36.5	Very low	39.1	Very low	29 Å²	29	90 Å²	90	20%	0.196	49%	0.488	C	S	.	.	H	α-helix	trans	-62.4	-37.9	173.2	-75	0	0	0	0	112.5	G44 L45 I46	C42-G44 VanDerWaalsContact C-N 3.31Å; C42-G44 PolarHBondContact O-N 2.9Å; C42-L45 PolarHBondContact O-N 3.33Å; C42-I46 VanDerWaalsContact O-CG1 3.29Å; C42-I46 WeakPolarHBondContact O-CG1 3.2Å; C42-I46 PolarHBondContact O-N 2.64Å
43	K	37.4	Very low	38.6	Very low	148 Å²	148	87.1 Å²	87.1	64%	0.643	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-37.9	171.9	-79.1	-178.4	176.2	175.3	0	112.2	C41 N47	C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 2.67Å; K43-N47 WeakPolarHBondContact O-CB 3.26Å; K43-N47 PolarHBondContact O-N 3.47Å; K43-N47 PolarHBondContact O-ND2 3.42Å
44	G	39.1	Very low	38.3	Very low	30 Å²	30	85.8 Å²	85.8	31%	0.309	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-42.6	174.2	0	0	0	0	0	112.9	L40 C41 C42 N47 N48	L40-G44 PolarHBondContact O-N 3.03Å; C41-G44 PolarHBondContact O-N 3.3Å; C41-G44 VanDerWaalsContact O-N 3.11Å; C42-G44 VanDerWaalsContact C-N 3.31Å; C42-G44 PolarHBondContact O-N 2.9Å; G44-N47 PolarHBondContact O-N 3.35Å; G44-N48 PolarHBondContact O-N 3.49Å; G44-N48 VanDerWaalsContact O-N 3.08Å
45	L	37.9	Very low	38.3	Very low	36 Å²	36	79.9 Å²	79.9	19%	0.188	44%	0.439	C	S	.	.	H	α-helix	trans	-63	-48.8	175.9	-128.2	116.3	0	0	0	111.2	C25 C41 C42 N47 N48 V49	C25-L45 HydrophobicContact CB-CD1 4.1Å; C41-L45 PolarHBondContact O-N 3.25Å; C42-L45 PolarHBondContact O-N 3.33Å; L45-N47 VanDerWaalsContact C-N 3.35Å; L45-N47 PolarHBondContact O-N 3.08Å; L45-N48 PolarHBondContact O-N 3.49Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 2.98Å; L45-V49 VanDerWaalsContact O-N 3.08Å
46	I	40.5	Very low	38.3	Very low	95 Å²	95	77.1 Å²	77.1	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-39.5	179.4	-66.8	166.6	0	0	0	111.7	C42 V49 S50	C42-I46 VanDerWaalsContact O-CG1 3.29Å; C42-I46 WeakPolarHBondContact O-CG1 3.2Å; C42-I46 PolarHBondContact O-N 2.64Å; I46-V49 PolarHBondContact O-N 2.95Å; I46-S50 PolarHBondContact O-N 3.4Å; I46-S50 VanDerWaalsContact O-N 3.17Å
47	N	41.1	Very low	38.5	Very low	106 Å²	106	78.1 Å²	78.1	57%	0.567	41%	0.414	S	S	*	.	H	α-helix	trans	-66.6	-39.2	177.2	-75.9	-11.9	0	0	0	112.4	K43 G44 L45 V49 S50	K43-N47 WeakPolarHBondContact O-CB 3.26Å; K43-N47 PolarHBondContact O-N 3.47Å; K43-N47 PolarHBondContact O-ND2 3.42Å; G44-N47 PolarHBondContact O-N 3.35Å; L45-N47 VanDerWaalsContact C-N 3.35Å; L45-N47 PolarHBondContact O-N 3.08Å; N47-V49 VanDerWaalsContact C-N 3.31Å; N47-V49 PolarHBondContact O-N 3.29Å; N47-S50 WeakPolarHBondContact O-CB 3.4Å; N47-S50 PolarHBondContact O-N 3.11Å; N47-S50 PolarHBondContact O-OG 3.3Å
48	N	38.9	Very low	38.8	Very low	42 Å²	42	72.1 Å²	72.1	23%	0.225	39%	0.387	C	S	.	.	H	α-helix	trans	-66.9	-34.8	175.7	-75.3	-16.8	0	0	0	112.2	L22 G44 L45 S50 V51	L22-N48 HydrophobicContact CD1-CB 4.47Å; G44-N48 PolarHBondContact O-N 3.49Å; G44-N48 VanDerWaalsContact O-N 3.08Å; L45-N48 PolarHBondContact O-N 3.49Å; N48-S50 VanDerWaalsContact C-N 3.26Å; N48-S50 PolarHBondContact O-N 3.46Å; N48-V51 WeakPolarHBondContact O-CB 3.46Å; N48-V51 PolarHBondContact O-N 2.68Å
49	V	37.3	Very low	38.7	Very low	5 Å²	5	68.2 Å²	68.2	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-25.3	175.7	-179.9	0	0	0	0	111.6	L45 I46 N47 V51 E52 S121 R125	L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 2.98Å; L45-V49 VanDerWaalsContact O-N 3.08Å; I46-V49 PolarHBondContact O-N 2.95Å; N47-V49 VanDerWaalsContact C-N 3.31Å; N47-V49 PolarHBondContact O-N 3.29Å; V49-V51 VanDerWaalsContact C-N 3.3Å; V49-V51 PolarHBondContact O-N 2.74Å; V49-E52 WeakPolarHBondContact CG1-OE2 3.47Å; V49-E52 WeakPolarHBondContact O-CB 3.4Å; V49-E52 PolarHBondContact O-N 3.44Å; V49-S121 WeakPolarHBondContact CG1-OG 3.48Å; V49-R125 VanDerWaalsContact C-NH2 3.33Å; V49-R125 HydrophobicContact CG1-CG 4.19Å; V49-R125 VanDerWaalsContact CG1-NE 3.25Å; V49-R125 PolarHBondContact O-NH2 3.05Å
50	S	33.9	Very low	38.8	Very low	63 Å²	63	64.3 Å²	64.3	44%	0.441	35%	0.351	S	S	.	.	H	α-helix	trans	-68.4	-28.4	174	77.7	0	0	0	0	113.5	I46 N47 N48 E52 N53	I46-S50 PolarHBondContact O-N 3.4Å; I46-S50 VanDerWaalsContact O-N 3.17Å; N47-S50 WeakPolarHBondContact O-CB 3.4Å; N47-S50 PolarHBondContact O-N 3.11Å; N47-S50 PolarHBondContact O-OG 3.3Å; N48-S50 VanDerWaalsContact C-N 3.26Å; N48-S50 PolarHBondContact O-N 3.46Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.45Å; S50-N53 PolarHBondContact O-N 3.24Å
51	V	38.9	Very low	39.4	Very low	51 Å²	51	60.1 Å²	60.1	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-32.5	175.5	-177.3	0	0	0	0	110.7	L18 N48 V49 N53 E54 V55	L18-V51 HydrophobicContact CD1-CG1 3.78Å; N48-V51 WeakPolarHBondContact O-CB 3.46Å; N48-V51 PolarHBondContact O-N 2.68Å; V49-V51 VanDerWaalsContact C-N 3.3Å; V49-V51 PolarHBondContact O-N 2.74Å; V51-N53 VanDerWaalsContact C-N 3.26Å; V51-N53 PolarHBondContact O-N 3.25Å; V51-E54 PolarHBondContact O-N 3.48Å; V51-V55 WeakPolarHBondContact O-CG2 3.13Å
52	E	43.3	Very low	40	Very low	25 Å²	25	58.3 Å²	58.3	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-31.9	179	-64	177.9	154	0	0	113.4	V49 S50 E54 V55 V56 S121	V49-E52 WeakPolarHBondContact CG1-OE2 3.47Å; V49-E52 WeakPolarHBondContact O-CB 3.4Å; V49-E52 PolarHBondContact O-N 3.44Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.45Å; E52-E54 PolarHBondContact O-N 2.72Å; E52-V55 WeakPolarHBondContact O-CB 3.48Å; E52-V55 PolarHBondContact O-N 3.36Å; E52-V55 VanDerWaalsContact O-N 3.16Å; E52-V56 WeakPolarHBondContact O-CG2 3.34Å; E52-V56 PolarHBondContact O-N 3.45Å; E52-V56 VanDerWaalsContact O-N 3.16Å; E52-S121 WeakPolarHBondContact OE2-CB 3.09Å; E52-S121 PolarHBondContact OE2-OG 3.38Å
53	N	35.2	Very low	40.3	Very low	66 Å²	66	57.9 Å²	57.9	35%	0.353	31%	0.314	S	S	.	.	H	α-helix	trans	-68.5	-33.6	-179.5	-78.5	-3.7	0	0	0	112.5	S50 V51 V55 H118	S50-N53 PolarHBondContact O-N 3.24Å; V51-N53 VanDerWaalsContact C-N 3.26Å; V51-N53 PolarHBondContact O-N 3.25Å; N53-V55 VanDerWaalsContact C-N 3.26Å; N53-V55 PolarHBondContact O-N 3.11Å; N53-H118 PolarHBondContact OD1-CE1 3.11Å
54	E	38.7	Very low	40.7	Very low	124 Å²	124	53.1 Å²	53.1	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-70.1	-25.2	174.5	-75	-170.3	162.7	0	0	111.9	V51 E52 K496	V51-E54 PolarHBondContact O-N 3.48Å; E52-E54 PolarHBondContact O-N 2.72Å; E54-K496 IonicContact OE1-NZ 2.63Å; E54-K496 PolarHBondContact OE1-NZ 3.49Å; E54-K496 IonicContact OE2-NZ 3.76Å; E54-K496 PolarHBondContact OE2-NZ 3.12Å
55	V	37.7	Very low	41.2	Very low	9 Å²	9	55.9 Å²	55.9	6%	0.055	30%	0.301	C	S	.	.	H	α-helix	trans	-78.1	-45.3	-177.9	-176.8	0	0	0	0	112	W15 V51 E52 N53 D57 W58 V59	W15-V55 HydrophobicContact CB-CG1 4.42Å; W15-V55 HydrophobicContact CD2-CB 4.22Å; W15-V55 HydrophobicContact CD2-CG1 3.4Å; W15-V55 HydrophobicContact CD2-CG2 3.79Å; W15-V55 VanDerWaalsContact CE2-CG1 3.42Å; W15-V55 HydrophobicContact CE3-CB 4.31Å; W15-V55 HydrophobicContact CE3-CG1 3.92Å; W15-V55 HydrophobicContact CE3-CG2 3.42Å; W15-V55 VanDerWaalsContact CE3-CG2 3.42Å; W15-V55 HydrophobicContact CG-CG1 3.62Å; W15-V55 HydrophobicContact CH2-CB 4.33Å; W15-V55 HydrophobicContact CH2-CG1 4.42Å; W15-V55 HydrophobicContact CH2-CG2 3.33Å; W15-V55 HydrophobicContact CZ2-CB 4.21Å; W15-V55 HydrophobicContact CZ2-CG1 3.95Å; W15-V55 HydrophobicContact CZ2-CG2 3.69Å; W15-V55 HydrophobicContact CZ3-CB 4.37Å; W15-V55 HydrophobicContact CZ3-CG1 4.41Å; W15-V55 HydrophobicContact CZ3-CG2 3.18Å; V51-V55 WeakPolarHBondContact O-CG2 3.13Å; E52-V55 WeakPolarHBondContact O-CB 3.48Å; E52-V55 PolarHBondContact O-N 3.36Å; E52-V55 VanDerWaalsContact O-N 3.16Å; N53-V55 VanDerWaalsContact C-N 3.26Å; N53-V55 PolarHBondContact O-N 3.11Å; V55-D57 VanDerWaalsContact C-N 3.29Å; V55-D57 PolarHBondContact O-N 3.15Å; V55-W58 PolarHBondContact O-N 3.26Å; V55-W58 VanDerWaalsContact O-N 3.08Å; V55-V59 HydrophobicContact CG1-CG2 4.11Å; V55-V59 WeakPolarHBondContact O-CG2 3.49Å; V55-V59 PolarHBondContact O-N 2.88Å
56	V	38.7	Very low	41.5	Very low	38 Å²	38	54.6 Å²	54.6	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-37	-174.7	173.5	0	0	0	0	111.4	E52 W58 P60	E52-V56 WeakPolarHBondContact O-CG2 3.34Å; E52-V56 PolarHBondContact O-N 3.45Å; E52-V56 VanDerWaalsContact O-N 3.16Å; V56-W58 PolarHBondContact O-N 3.43Å; V56-P60 VanDerWaalsContact O-CD 3.28Å; V56-P60 WeakPolarHBondContact O-CD 3.38Å
57	D	42.5	Very low	41.7	Very low	135 Å²	135	57.9 Å²	57.9	72%	0.722	30%	0.3	S	S	*	.	H	α-helix	trans	-73.5	-24.6	177	-74.1	-17.3	0	0	0	113.6	V55	V55-D57 VanDerWaalsContact C-N 3.29Å; V55-D57 PolarHBondContact O-N 3.15Å
58	W	43.1	Very low	42.1	Very low	59 Å²	59	60.5 Å²	60.5	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-87.6	-33.2	-173	-176	84.3	0	0	0	113.6	W15 V55 V56 T61 Q62 Y545	W15-W58 AromaticContact NE1-CE3 3.81Å; W15-W58 AromaticContact NE1-CZ3 3.77Å; V55-W58 PolarHBondContact O-N 3.26Å; V55-W58 VanDerWaalsContact O-N 3.08Å; V56-W58 PolarHBondContact O-N 3.43Å; W58-T61 WeakPolarHBondContact O-CB 3.42Å; W58-T61 PolarHBondContact O-N 2.58Å; W58-T61 VanDerWaalsContact O-N 3.15Å; W58-Q62 HydrophobicContact CD2-CG 4Å; W58-Q62 HydrophobicContact CE3-CG 3.85Å; W58-Q62 HydrophobicContact CH2-CB 4.29Å; W58-Q62 HydrophobicContact CH2-CG 3Å; W58-Q62 HydrophobicContact CZ2-CG 3.19Å; W58-Q62 HydrophobicContact CZ3-CB 4.39Å; W58-Q62 HydrophobicContact CZ3-CG 3.38Å; W58-Q62 PolarHBondContact O-N 2.9Å; W58-Y545 HydrophobicContact CH2-CD2 4.24Å; W58-Y545 HydrophobicContact CH2-CE1 4Å; W58-Y545 AromaticContact CH2-CE2 3.18Å; W58-Y545 HydrophobicContact CH2-CE2 3.18Å; W58-Y545 AromaticContact CH2-CZ 3.04Å; W58-Y545 WeakPolarHBondContact CH2-OH 3.39Å; W58-Y545 AromaticContact CZ2-CE2 3.51Å; W58-Y545 HydrophobicContact CZ2-CE2 3.51Å; W58-Y545 AromaticContact CZ2-CZ 3.54Å; W58-Y545 WeakPolarHBondContact CZ2-OH 3.1Å; W58-Y545 HydrophobicContact CZ3-CE1 4.33Å; W58-Y545 HydrophobicContact CZ3-CE2 4.25Å; W58-Y545 AromaticContact CZ3-CZ 3.72Å; W58-Y545 WeakPolarHBondContact CZ3-OH 3.4Å
59	V	40.5	Very low	42.4	Very low	19 Å²	19	60 Å²	60	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-44.2	-175.6	169.5	0	0	0	0	113.8	V55 T61 Q62 I63 Q111 L114	V55-V59 HydrophobicContact CG1-CG2 4.11Å; V55-V59 WeakPolarHBondContact O-CG2 3.49Å; V55-V59 PolarHBondContact O-N 2.88Å; V59-T61 PolarHBondContact O-N 3.23Å; V59-Q62 PolarHBondContact O-N 3.08Å; V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 PolarHBondContact O-N 3.19Å; V59-Q111 HydrophobicContact CG1-CG 3.84Å; V59-L114 HydrophobicContact CG1-CD1 4.21Å; V59-L114 HydrophobicContact CG2-CD1 4.1Å
60	P	41.4	Very low	42.5	Very low	70 Å²	70	61 Å²	61	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-36.4	176.3	-23.9	33.7	0	0	0	113.1	V56 Q62 I63 S64	V56-P60 VanDerWaalsContact O-CD 3.28Å; V56-P60 WeakPolarHBondContact O-CD 3.38Å; P60-Q62 PolarHBondContact O-N 2.86Å; P60-I63 PolarHBondContact O-N 3.15Å; P60-S64 PolarHBondContact O-N 3.16Å; P60-S64 VanDerWaalsContact O-N 3.12Å
61	T	49.1	Very low	43	Very low	69 Å²	69	61 Å²	61	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-38.7	-178.9	-53.2	0	0	0	0	111.4	W58 V59 S64 R65	W58-T61 WeakPolarHBondContact O-CB 3.42Å; W58-T61 PolarHBondContact O-N 2.58Å; W58-T61 VanDerWaalsContact O-N 3.15Å; V59-T61 PolarHBondContact O-N 3.23Å; T61-S64 PolarHBondContact O-OG 3.49Å; T61-R65 PolarHBondContact O-N 3.49Å
62	Q	48.2	Very low	42.9	Very low	6 Å²	6	63 Å²	63	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-73.3	-36.5	176.5	-66.9	-38.3	-60.4	0	0	113.4	W58 V59 P60 S64 R65 I66	W58-Q62 HydrophobicContact CD2-CG 4Å; W58-Q62 HydrophobicContact CE3-CG 3.85Å; W58-Q62 HydrophobicContact CH2-CB 4.29Å; W58-Q62 HydrophobicContact CH2-CG 3Å; W58-Q62 HydrophobicContact CZ2-CG 3.19Å; W58-Q62 HydrophobicContact CZ3-CB 4.39Å; W58-Q62 HydrophobicContact CZ3-CG 3.38Å; W58-Q62 PolarHBondContact O-N 2.9Å; V59-Q62 PolarHBondContact O-N 3.08Å; P60-Q62 PolarHBondContact O-N 2.86Å; Q62-S64 PolarHBondContact O-N 3.28Å; Q62-R65 CarbonylContact O-C 3.44Å; Q62-R65 WeakPolarHBondContact O-CA 3.5Å; Q62-R65 WeakPolarHBondContact O-CB 3.36Å; Q62-R65 PolarHBondContact O-N 2.95Å; Q62-I66 WeakPolarHBondContact O-CG1 3.39Å; Q62-I66 PolarHBondContact O-N 3.16Å
63	I	42.7	Very low	42.8	Very low	19 Å²	19	64.4 Å²	64.4	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-34.3	179	-73	169.6	0	0	0	110.7	V59 P60 R65 I66 R67 I107 Q111	V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 PolarHBondContact O-N 3.19Å; P60-I63 PolarHBondContact O-N 3.15Å; I63-R65 PolarHBondContact O-N 3.33Å; I63-I66 HydrophobicContact CG1-CD1 4.28Å; I63-I66 PolarHBondContact O-N 3.31Å; I63-R67 WeakPolarHBondContact O-CB 3.43Å; I63-R67 PolarHBondContact O-N 3.28Å; I63-I107 HydrophobicContact CD1-CG2 3.41Å; I63-I107 VanDerWaalsContact CD1-CG2 3.41Å; I63-I107 HydrophobicContact CG1-CG2 3.58Å; I63-I107 HydrophobicContact CG2-CG2 4.32Å; I63-Q111 HydrophobicContact CD1-CG 3.25Å
64	S	46.4	Very low	43.1	Very low	48 Å²	48	66 Å²	66	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-28.5	169.6	85.8	0	0	0	0	114	P60 T61 Q62 R68	P60-S64 PolarHBondContact O-N 3.16Å; P60-S64 VanDerWaalsContact O-N 3.12Å; T61-S64 PolarHBondContact O-OG 3.49Å; Q62-S64 PolarHBondContact O-N 3.28Å; S64-R68 PolarHBondContact O-N 3.01Å
65	R	48.2	Very low	42.9	Very low	89 Å²	89	68.3 Å²	68.3	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-80.3	-43.9	176.1	-69.8	178.3	176	174.5	-3.6	111.3	T61 Q62 I63 R67 R68 S69	T61-R65 PolarHBondContact O-N 3.49Å; Q62-R65 CarbonylContact O-C 3.44Å; Q62-R65 WeakPolarHBondContact O-CA 3.5Å; Q62-R65 WeakPolarHBondContact O-CB 3.36Å; Q62-R65 PolarHBondContact O-N 2.95Å; I63-R65 PolarHBondContact O-N 3.33Å; R65-R67 PolarHBondContact O-N 3.44Å; R65-R68 WeakPolarHBondContact O-CB 3.34Å; R65-R68 PolarHBondContact O-N 3.39Å; R65-S69 PolarHBondContact O-N 2.75Å; R65-S69 PolarHBondContact O-OG 2.93Å; R65-S69 VanDerWaalsContact O-OG 3.13Å
66	I	45.6	Very low	43	Very low	9 Å²	9	72.3 Å²	72.3	5%	0.046	35%	0.347	C	S	.	.	H	α-helix	trans	-53.4	-46.3	172.5	-65.3	172.8	0	0	0	109.9	S11 V12 Q62 I63 R68 S69 F70 L104 I107	S11-I66 WeakPolarHBondContact OG-CD1 3.48Å; S11-I66 WeakPolarHBondContact OG-CG1 3.41Å; V12-I66 HydrophobicContact CG2-CD1 3.62Å; Q62-I66 WeakPolarHBondContact O-CG1 3.39Å; Q62-I66 PolarHBondContact O-N 3.16Å; I63-I66 HydrophobicContact CG1-CD1 4.28Å; I63-I66 PolarHBondContact O-N 3.31Å; I66-R68 PolarHBondContact O-N 3.03Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.42Å; I66-F70 HydrophobicContact CG2-CD2 3.51Å; I66-F70 HydrophobicContact CG2-CE2 3.37Å; I66-F70 VanDerWaalsContact O-CD2 3.22Å; I66-F70 WeakPolarHBondContact O-CD2 3.26Å; I66-F70 PolarHBondContact O-N 3.21Å; I66-L104 HydrophobicContact CG2-CD2 4.2Å; I66-I107 HydrophobicContact CD1-CD1 4.37Å; I66-I107 HydrophobicContact CG2-CD1 4.32Å
67	R	44.4	Very low	43	Very low	163 Å²	163	72.9 Å²	72.9	62%	0.615	35%	0.353	S	S	*	.	H	α-helix	trans	-57.1	-47.7	175.8	-174.4	176.4	178.4	174.1	2.2	112.2	I63 R65 S69 F70 D71	I63-R67 WeakPolarHBondContact O-CB 3.43Å; I63-R67 PolarHBondContact O-N 3.28Å; R65-R67 PolarHBondContact O-N 3.44Å; R67-S69 VanDerWaalsContact C-N 3.3Å; R67-S69 PolarHBondContact O-N 3.16Å; R67-F70 PolarHBondContact O-N 2.8Å; R67-D71 WeakPolarHBondContact O-CB 3.22Å; R67-D71 VanDerWaalsContact O-CG 3.24Å; R67-D71 PolarHBondContact O-N 2.89Å
68	R	49.7	Very low	42.7	Very low	161 Å²	161	70.7 Å²	70.7	61%	0.608	35%	0.345	S	S	*	.	H	α-helix	trans	-59.6	-39.8	177.3	-80.8	-175.9	-111.1	-170.6	-6.8	112.6	S64 R65 I66 D71 F72	S64-R68 PolarHBondContact O-N 3.01Å; R65-R68 WeakPolarHBondContact O-CB 3.34Å; R65-R68 PolarHBondContact O-N 3.39Å; I66-R68 PolarHBondContact O-N 3.03Å; R68-D71 PolarHBondContact O-N 3.19Å; R68-F72 WeakPolarHBondContact O-CB 3.41Å; R68-F72 PolarHBondContact O-N 2.87Å
69	S	43.8	Very low	42.6	Very low	32 Å²	32	76 Å²	76	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-43	176.7	-53	0	0	0	0	112.6	E7 R65 I66 R67 F72 S73	E7-S69 WeakPolarHBondContact CG-OG 3.45Å; E7-S69 VanDerWaalsContact OE2-CA 3.25Å; E7-S69 WeakPolarHBondContact OE2-CA 3.4Å; E7-S69 PolarHBondContact OE2-OG 3.5Å; R65-S69 PolarHBondContact O-N 2.75Å; R65-S69 PolarHBondContact O-OG 2.93Å; R65-S69 VanDerWaalsContact O-OG 3.13Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.42Å; R67-S69 VanDerWaalsContact C-N 3.3Å; R67-S69 PolarHBondContact O-N 3.16Å; S69-F72 PolarHBondContact O-N 3.08Å; S69-S73 PolarHBondContact O-N 3.44Å
70	F	40.8	Very low	42.6	Very low	27 Å²	27	79.2 Å²	79.2	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-70.9	-32.2	176.7	-79.1	-64.4	0	0	0	113.1	I66 R67 F72 S73 R100 L104	I66-F70 HydrophobicContact CG2-CD2 3.51Å; I66-F70 HydrophobicContact CG2-CE2 3.37Å; I66-F70 VanDerWaalsContact O-CD2 3.22Å; I66-F70 WeakPolarHBondContact O-CD2 3.26Å; I66-F70 PolarHBondContact O-N 3.21Å; R67-F70 PolarHBondContact O-N 2.8Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F70-S73 PolarHBondContact O-OG 3.28Å; F70-R100 HydrophobicContact CD1-CG 3.82Å; F70-R100 HydrophobicContact CE1-CG 4.01Å; F70-L104 HydrophobicContact CD2-CD2 3.79Å; F70-L104 HydrophobicContact CD2-CG 4.5Å; F70-L104 HydrophobicContact CE2-CD2 4.06Å
71	D	43.8	Very low	42.4	Very low	63 Å²	63	81.2 Å²	81.2	34%	0.337	40%	0.4	S	S	.	.	H	α-helix	trans	-75	-24.9	173.7	-64.7	-14.1	0	0	0	111.5	R67 R68 R75	R67-D71 WeakPolarHBondContact O-CB 3.22Å; R67-D71 VanDerWaalsContact O-CG 3.24Å; R67-D71 PolarHBondContact O-N 2.89Å; R68-D71 PolarHBondContact O-N 3.19Å; D71-R75 PolarHBondContact O-N 3.45Å
72	F	37.6	Very low	41.8	Very low	91 Å²	91	89 Å²	89	40%	0.399	42%	0.422	S	S	.	.	H	α-helix	trans	-72.8	-36	177.2	-171.6	-107.8	0	0	0	112.4	R68 S69 F70 E74 R75 I76	R68-F72 WeakPolarHBondContact O-CB 3.41Å; R68-F72 PolarHBondContact O-N 2.87Å; S69-F72 PolarHBondContact O-N 3.08Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F72-E74 VanDerWaalsContact C-N 3.26Å; F72-E74 PolarHBondContact O-N 2.96Å; F72-R75 PolarHBondContact O-N 3.43Å; F72-I76 HydrophobicContact CD1-CD1 3.84Å; F72-I76 HydrophobicContact CD1-CG1 4.46Å; F72-I76 HydrophobicContact CE1-CD1 3.38Å; F72-I76 HydrophobicContact CE1-CG1 4.15Å; F72-I76 HydrophobicContact CZ-CD1 3.99Å; F72-I76 HydrophobicContact CZ-CG1 4.41Å; F72-I76 PolarHBondContact O-N 2.93Å
73	S	39.9	Very low	41.4	Very low	55 Å²	55	95.8 Å²	95.8	39%	0.385	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-34	174.7	70.3	0	0	0	0	112.1	S69 F70 R75 I76 S77	S69-S73 PolarHBondContact O-N 3.44Å; F70-S73 PolarHBondContact O-OG 3.28Å; S73-R75 PolarHBondContact O-N 3.24Å; S73-I76 PolarHBondContact O-N 3.46Å; S73-S77 PolarHBondContact O-N 3Å
74	E	41.4	Very low	41.1	Very low	101 Å²	101	99.1 Å²	99.1	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-36.7	175.3	-159.7	173.6	-174.3	0	0	112.1	F72 T78	F72-E74 VanDerWaalsContact C-N 3.26Å; F72-E74 PolarHBondContact O-N 2.96Å; E74-T78 WeakPolarHBondContact O-CG2 3.47Å; E74-T78 PolarHBondContact O-N 2.97Å; E74-T78 PolarHBondContact O-OG1 3.08Å
75	R	36.2	Very low	40.6	Very low	171 Å²	171	104.9 Å²	104.9	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-73.3	-24.9	174.6	-72.7	-170.5	-155.9	-158.4	3.7	114.1	D71 F72 S73 T78 K79	D71-R75 PolarHBondContact O-N 3.45Å; F72-R75 PolarHBondContact O-N 3.43Å; S73-R75 PolarHBondContact O-N 3.24Å; R75-T78 WeakPolarHBondContact CA-OG1 3.36Å; R75-T78 PolarHBondContact O-OG1 2.93Å; R75-K79 WeakPolarHBondContact O-CB 3.23Å; R75-K79 VanDerWaalsContact O-CG 3.27Å; R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 3.33Å
76	I	39.7	Very low	40	Very low	94 Å²	94	106.2 Å²	106.2	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-79.4	-45.1	176	-68.1	179.5	0	0	0	109.9	F72 S73 T78 K79 T80	F72-I76 HydrophobicContact CD1-CD1 3.84Å; F72-I76 HydrophobicContact CD1-CG1 4.46Å; F72-I76 HydrophobicContact CE1-CD1 3.38Å; F72-I76 HydrophobicContact CE1-CG1 4.15Å; F72-I76 HydrophobicContact CZ-CD1 3.99Å; F72-I76 HydrophobicContact CZ-CG1 4.41Å; F72-I76 PolarHBondContact O-N 2.93Å; S73-I76 PolarHBondContact O-N 3.46Å; I76-T78 PolarHBondContact O-N 2.97Å; I76-K79 PolarHBondContact O-N 3.45Å; I76-T80 PolarHBondContact O-N 3.31Å; I76-T80 PolarHBondContact O-OG1 2.9Å
77	S	37.4	Very low	39.6	Very low	50 Å²	50	109.7 Å²	109.7	35%	0.35	55%	0.553	S	S	.	*	H	α-helix	trans	-57.9	-36.2	176.7	-177.2	0	0	0	0	112.1	S73	S73-S77 PolarHBondContact O-N 3Å
78	T	37.3	Very low	39.5	Very low	89 Å²	89	108 Å²	108	55%	0.546	56%	0.557	S	S	.	*	H	α-helix	trans	-77.7	-22.5	177.1	48.5	0	0	0	0	114.3	E74 R75 I76 T81	E74-T78 WeakPolarHBondContact O-CG2 3.47Å; E74-T78 PolarHBondContact O-N 2.97Å; E74-T78 PolarHBondContact O-OG1 3.08Å; R75-T78 WeakPolarHBondContact CA-OG1 3.36Å; R75-T78 PolarHBondContact O-OG1 2.93Å; I76-T78 PolarHBondContact O-N 2.97Å; T78-T81 PolarHBondContact O-OG1 3.34Å
79	K	41.3	Very low	39.5	Very low	170 Å²	170	108.8 Å²	108.8	74%	0.739	57%	0.567	S	S	*	*	H	α-helix	trans	-89.7	-5.6	-176.6	-81.7	-176.9	177.3	-174	0	115.4	R75 I76 T81	R75-K79 WeakPolarHBondContact O-CB 3.23Å; R75-K79 VanDerWaalsContact O-CG 3.27Å; R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 3.33Å; I76-K79 PolarHBondContact O-N 3.45Å; K79-T81 PolarHBondContact O-N 3.07Å
80	T	38.9	Very low	40	Very low	87 Å²	87	112.7 Å²	112.7	53%	0.534	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	7.2	175.9	-8.2	0	0	0	0	114	I76 R82	I76-T80 PolarHBondContact O-N 3.31Å; I76-T80 PolarHBondContact O-OG1 2.9Å; T80-R82 VanDerWaalsContact C-N 3.33Å; T80-R82 PolarHBondContact O-N 2.95Å; T80-R82 VanDerWaalsContact O-N 3.12Å
81	T	38.1	Very low	41	Very low	112 Å²	112	119.4 Å²	119.4	69%	0.687	61%	0.61	S	S	*	*			trans	-84.3	72.4	170	39.4	0	0	0	0	111	T78 K79	T78-T81 PolarHBondContact O-OG1 3.34Å; K79-T81 PolarHBondContact O-N 3.07Å
82	R	36.4	Very low	42.6	Very low	233 Å²	233	119.7 Å²	119.7	88%	0.879	61%	0.611	S	S	*	*			trans	-106.7	122.4	155.8	-91.4	-176.2	175.1	-178.7	-2.2	107.5	T80	T80-R82 VanDerWaalsContact C-N 3.33Å; T80-R82 PolarHBondContact O-N 2.95Å; T80-R82 VanDerWaalsContact O-N 3.12Å
83	N	40.8	Very low	44.6	Very low	147 Å²	147	116.4 Å²	116.4	79%	0.786	60%	0.602	S	S	*	*	S	Bend	trans	76.7	69.8	-178	-59.3	-7	0	0	0	116	Q85	N83-Q85 PolarHBondContact O-N 3.38Å
84	G	36	Very low	46.8	Very low	89 Å²	89	120.6 Å²	120.6	92%	0.918	62%	0.619	S	S	*	*	S	Bend	trans	47.9	-0.7	136.6	0	0	0	0	0	122.4
85	Q	35.4	Very low	49	Very low	170 Å²	170	118.8 Å²	118.8	79%	0.794	62%	0.617	S	S	*	*			trans	-119.2	98.7	-179.2	-77.4	-179.2	-28.3	0	0	106.1	N83 T87	N83-Q85 PolarHBondContact O-N 3.38Å; Q85-T87 PolarHBondContact O-N 2.88Å
86	I	35	Very low	51.6	Low	117 Å²	117	112.5 Å²	112.5	60%	0.6	60%	0.595	S	S	*	*			trans	-68.8	91.1	167.1	-61.4	169.7	0	0	0	105.6	N88	I86-N88 PolarHBondContact O-N 3.3Å
87	T	37.7	Very low	53.9	Low	81 Å²	81	109.9 Å²	109.9	50%	0.497	58%	0.581	S	S	.	*			trans	-66.4	125.3	161	53.4	0	0	0	0	106.5	Q85 E89	Q85-T87 PolarHBondContact O-N 2.88Å; T87-E89 PolarHBondContact O-N 2.84Å
88	N	42.5	Very low	56.4	Low	129 Å²	129	110.3 Å²	110.3	69%	0.69	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-60.7	-3.7	-176.6	-103.4	-15.4	0	0	0	114	I86 N90	I86-N88 PolarHBondContact O-N 3.3Å; N88-N90 VanDerWaalsContact C-N 3.31Å; N88-N90 PolarHBondContact O-N 3.3Å
89	E	50.6	Low	58.9	Low	176 Å²	176	107.2 Å²	107.2	82%	0.822	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-77.7	-9.1	-173.9	-65.9	-178.9	156.6	0	0	114.3	T87	T87-E89 PolarHBondContact O-N 2.84Å
90	N	54.1	Low	61.1	Low	115 Å²	115	99.9 Å²	99.9	62%	0.615	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-117.4	14.1	-174.8	-79	-29.6	0	0	0	115.3	N88 I92	N88-N90 VanDerWaalsContact C-N 3.31Å; N88-N90 PolarHBondContact O-N 3.3Å; N90-I92 PolarHBondContact O-N 3.2Å
91	R	61.5	Low	63.5	Low	167 Å²	167	103.4 Å²	103.4	63%	0.63	53%	0.533	S	S	*	.			trans	-84.1	112	176.6	-75.6	-172.6	175.5	-171.1	0.2	110.7	G93	R91-G93 PolarHBondContact O-N 3.17Å
92	I	76	Confident	66	Low	70 Å²	70	104.9 Å²	104.9	36%	0.359	53%	0.526	S	S	.	.			trans	-57.6	123.1	168.2	-62.3	175.9	0	0	0	108.3	N90 H96 E97	N90-I92 PolarHBondContact O-N 3.2Å; I92-H96 HydrophobicContact CG2-CB 3.64Å; I92-E97 HydrophobicContact CG2-CG 4.16Å
93	G	80.3	Confident	68.4	Low	21 Å²	21	93.8 Å²	93.8	22%	0.216	48%	0.484	C	S	.	.			trans	-74.4	157	-176	0	0	0	0	0	112.7	R91 S95 H96 E97 D169	R91-G93 PolarHBondContact O-N 3.17Å; G93-S95 PolarHBondContact O-N 3.22Å; G93-H96 VanDerWaalsContact O-CB 3.29Å; G93-H96 WeakPolarHBondContact O-CB 3.44Å; G93-H96 PolarHBondContact O-N 3.17Å; G93-E97 PolarHBondContact O-N 3.19Å; G93-D169 WeakPolarHBondContact CA-OD1 3.13Å; G93-D169 VanDerWaalsContact N-CG 3.32Å; G93-D169 PolarHBondContact N-OD1 2.94Å; G93-D169 PolarHBondContact N-OD2 3.48Å
94	I	87.2	Confident	70.6	Confident	143 Å²	143	88.4 Å²	88.4	73%	0.733	46%	0.455	S	S	*	.	H	α-helix	trans	-58	-33.7	175.2	-168.5	168.6	0	0	0	112.3	H96 E97 T98	I94-H96 VanDerWaalsContact C-N 3.29Å; I94-H96 PolarHBondContact O-N 3.05Å; I94-E97 PolarHBondContact O-N 3.4Å; I94-T98 WeakPolarHBondContact O-CB 3.5Å; I94-T98 PolarHBondContact O-N 3.43Å; I94-T98 PolarHBondContact O-OG1 2.99Å
95	S	87.7	Confident	73.2	Confident	63 Å²	63	88.3 Å²	88.3	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-38.6	174.8	-59.1	0	0	0	0	111.7	G93 T98 L99 L168	G93-S95 PolarHBondContact O-N 3.22Å; S95-T98 PolarHBondContact O-N 3.3Å; S95-L99 WeakPolarHBondContact O-CB 3.44Å; S95-L99 WeakPolarHBondContact O-CG 3.46Å; S95-L99 PolarHBondContact O-N 3.24Å; S95-L168 VanDerWaalsContact C-CD1 3.46Å
96	H	89.2	Confident	75.6	Confident	39 Å²	39	83.2 Å²	83.2	18%	0.181	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-52.7	179.5	-173.7	124.6	0	0	0	110.3	I92 G93 I94 T98 L99 R100 L165 L168 D169	I92-H96 HydrophobicContact CG2-CB 3.64Å; G93-H96 VanDerWaalsContact O-CB 3.29Å; G93-H96 WeakPolarHBondContact O-CB 3.44Å; G93-H96 PolarHBondContact O-N 3.17Å; I94-H96 VanDerWaalsContact C-N 3.29Å; I94-H96 PolarHBondContact O-N 3.05Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 2.9Å; H96-L99 PolarHBondContact O-N 3.26Å; H96-R100 WeakPolarHBondContact O-CB 3.28Å; H96-R100 PolarHBondContact O-N 3.32Å; H96-L165 HydrophobicContact CB-CD1 4.42Å; H96-L165 WeakPolarHBondContact O-CD1 3.42Å; H96-L168 HydrophobicContact CB-CD1 4.19Å; H96-D169 WeakPolarHBondContact CB-OD2 3.47Å; H96-D169 IonicContact CG-OD2 3.39Å; H96-D169 IonicContact ND1-OD2 3.52Å; H96-D169 PolarHBondContact ND1-OD2 3.37Å
97	E	88.4	Confident	77.8	Confident	40 Å²	40	78.2 Å²	78.2	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-35.8	178	-78	-57.6	109.3	0	0	112.4	I92 G93 I94 R100 R101	I92-E97 HydrophobicContact CG2-CG 4.16Å; G93-E97 PolarHBondContact O-N 3.19Å; I94-E97 PolarHBondContact O-N 3.4Å; E97-R100 IonicContact OE1-CZ 2.7Å; E97-R100 IonicContact OE1-NE 3.4Å; E97-R100 PolarHBondContact OE1-NE 3.02Å; E97-R100 IonicContact OE1-NH2 3.87Å; E97-R100 IonicContact OE2-CZ 2.58Å; E97-R100 IonicContact OE2-NE 3.55Å; E97-R100 PolarHBondContact OE2-NE 2.93Å; E97-R100 VanDerWaalsContact OE2-NE 3.16Å; E97-R100 IonicContact OE2-NH2 3.12Å; E97-R100 PolarHBondContact OE2-NH2 3.47Å; E97-R101 WeakPolarHBondContact O-CB 2.82Å; E97-R101 VanDerWaalsContact O-CG 3.23Å; E97-R101 WeakPolarHBondContact O-CG 3.31Å; E97-R101 PolarHBondContact O-N 3.28Å; E97-R101 IonicContact OE2-NE 3.66Å; E97-R101 IonicContact OE2-NH2 3.78Å
98	T	89.6	Confident	80	Confident	58 Å²	58	78.5 Å²	78.5	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-48.3	175.8	-59.7	0	0	0	0	111.4	I94 S95 H96 R102	I94-T98 WeakPolarHBondContact O-CB 3.5Å; I94-T98 PolarHBondContact O-N 3.43Å; I94-T98 PolarHBondContact O-OG1 2.99Å; S95-T98 PolarHBondContact O-N 3.3Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 2.9Å; T98-R102 WeakPolarHBondContact O-CG 3.29Å; T98-R102 PolarHBondContact O-N 3.38Å
99	L	89.4	Confident	82.1	Confident	24 Å²	24	75.9 Å²	75.9	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-67.3	-41.8	178.6	-71.8	-167.2	0	0	0	112	S95 H96 R101 R102 A103 I161 K164 L165 L168	S95-L99 WeakPolarHBondContact O-CB 3.44Å; S95-L99 WeakPolarHBondContact O-CG 3.46Å; S95-L99 PolarHBondContact O-N 3.24Å; H96-L99 PolarHBondContact O-N 3.26Å; L99-R101 PolarHBondContact O-N 2.78Å; L99-R102 PolarHBondContact O-N 3.49Å; L99-A103 PolarHBondContact O-N 3.45Å; L99-I161 HydrophobicContact CB-CG2 4.04Å; L99-I161 HydrophobicContact CD2-CG1 4.43Å; L99-I161 HydrophobicContact CD2-CG2 4.43Å; L99-I161 WeakPolarHBondContact O-CG2 2.99Å; L99-K164 HydrophobicContact CD1-CB 3.49Å; L99-K164 VanDerWaalsContact CD1-CB 3.49Å; L99-L165 HydrophobicContact CB-CD1 3.9Å; L99-L168 HydrophobicContact CD1-CD1 3.63Å; L99-L168 HydrophobicContact CD1-CG 4.43Å; L99-L168 HydrophobicContact CG-CD1 4.21Å
100	R	87.7	Confident	83.4	Confident	16 Å²	16	68.3 Å²	68.3	6%	0.06	33%	0.326	C	S	.	.	H	α-helix	trans	-56.6	-48	175.6	-172.9	-175.8	73.4	91	-6.8	111.7	F70 H96 E97 A103 L104 L165	F70-R100 HydrophobicContact CD1-CG 3.82Å; F70-R100 HydrophobicContact CE1-CG 4.01Å; H96-R100 WeakPolarHBondContact O-CB 3.28Å; H96-R100 PolarHBondContact O-N 3.32Å; E97-R100 IonicContact OE1-CZ 2.7Å; E97-R100 IonicContact OE1-NE 3.4Å; E97-R100 PolarHBondContact OE1-NE 3.02Å; E97-R100 IonicContact OE1-NH2 3.87Å; E97-R100 IonicContact OE2-CZ 2.58Å; E97-R100 IonicContact OE2-NE 3.55Å; E97-R100 PolarHBondContact OE2-NE 2.93Å; E97-R100 VanDerWaalsContact OE2-NE 3.16Å; E97-R100 IonicContact OE2-NH2 3.12Å; E97-R100 PolarHBondContact OE2-NH2 3.47Å; R100-A103 WeakPolarHBondContact O-CB 3.34Å; R100-A103 PolarHBondContact O-N 2.9Å; R100-L104 PolarHBondContact O-N 2.75Å; R100-L104 VanDerWaalsContact O-N 3.13Å; R100-L165 HydrophobicContact CB-CD1 4.27Å
101	R	89.5	Confident	84.5	Confident	162 Å²	162	64.6 Å²	64.6	61%	0.611	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-38	177.4	-69.9	172.7	-169.4	-172.2	1.6	112.3	E97 L99 L104 N105	E97-R101 WeakPolarHBondContact O-CB 2.82Å; E97-R101 VanDerWaalsContact O-CG 3.23Å; E97-R101 WeakPolarHBondContact O-CG 3.31Å; E97-R101 PolarHBondContact O-N 3.28Å; E97-R101 IonicContact OE2-NE 3.66Å; E97-R101 IonicContact OE2-NH2 3.78Å; L99-R101 PolarHBondContact O-N 2.78Å; R101-L104 PolarHBondContact O-N 3.5Å; R101-N105 PolarHBondContact O-N 2.87Å
102	R	90.2	Very high	85.5	Confident	142 Å²	142	60.4 Å²	60.4	54%	0.536	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-42.3	173.7	-74.5	179.9	-179.3	-174.7	0.5	111.9	T98 L99 L104 N105 Y106 I161	T98-R102 WeakPolarHBondContact O-CG 3.29Å; T98-R102 PolarHBondContact O-N 3.38Å; L99-R102 PolarHBondContact O-N 3.49Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.94Å; R102-N105 WeakPolarHBondContact O-CA 3.46Å; R102-N105 WeakPolarHBondContact O-CB 3.46Å; R102-N105 PolarHBondContact O-N 3.27Å; R102-Y106 WeakPolarHBondContact O-CD2 3.42Å; R102-Y106 PolarHBondContact O-N 3.47Å; R102-I161 HydrophobicContact CB-CD1 3.86Å
103	A	88	Confident	85.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-49.7	174.7	0	0	0	0	0	110.6	L99 R100 N105 Y106 I107 L158 I161 L162	L99-A103 PolarHBondContact O-N 3.45Å; R100-A103 WeakPolarHBondContact O-CB 3.34Å; R100-A103 PolarHBondContact O-N 2.9Å; A103-N105 VanDerWaalsContact C-N 3.27Å; A103-N105 PolarHBondContact O-N 2.9Å; A103-Y106 PolarHBondContact O-N 3.34Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.92Å; A103-L158 HydrophobicContact CB-CD1 3.86Å; A103-I161 HydrophobicContact CB-CG2 3.82Å; A103-L162 HydrophobicContact CB-CD2 4.16Å
104	L	87.1	Confident	85.5	Confident	35 Å²	35	58 Å²	58	18%	0.183	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-37.8	174.5	-68.8	173.8	0	0	0	112.6	I66 F70 R100 R101 R102 I107 H108	I66-L104 HydrophobicContact CG2-CD2 4.2Å; F70-L104 HydrophobicContact CD2-CD2 3.79Å; F70-L104 HydrophobicContact CD2-CG 4.5Å; F70-L104 HydrophobicContact CE2-CD2 4.06Å; R100-L104 PolarHBondContact O-N 2.75Å; R100-L104 VanDerWaalsContact O-N 3.13Å; R101-L104 PolarHBondContact O-N 3.5Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.94Å; L104-I107 PolarHBondContact O-N 2.85Å; L104-H108 PolarHBondContact O-N 2.91Å; L104-H108 VanDerWaalsContact O-N 3.16Å; L104-H108 PolarHBondContact O-ND1 2.98Å
105	N	89.4	Confident	85	Confident	86 Å²	86	55.5 Å²	55.5	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-46.8	176.1	-163.2	59.2	0	0	0	112.2	R101 R102 A103 I107 H108 E109	R101-N105 PolarHBondContact O-N 2.87Å; R102-N105 WeakPolarHBondContact O-CA 3.46Å; R102-N105 WeakPolarHBondContact O-CB 3.46Å; R102-N105 PolarHBondContact O-N 3.27Å; A103-N105 VanDerWaalsContact C-N 3.27Å; A103-N105 PolarHBondContact O-N 2.9Å; N105-I107 PolarHBondContact O-N 2.84Å; N105-H108 WeakPolarHBondContact O-CA 3.41Å; N105-H108 WeakPolarHBondContact O-CB 3.47Å; N105-H108 PolarHBondContact O-N 3.25Å; N105-E109 PolarHBondContact O-N 2.9Å
106	Y	87.2	Confident	84.5	Confident	64 Å²	64	57 Å²	57	25%	0.251	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-35.6	176.4	-81.3	-72.1	0	0	0	112.4	R102 A103 E109 T110 I154 H157 I161	R102-Y106 WeakPolarHBondContact O-CD2 3.42Å; R102-Y106 PolarHBondContact O-N 3.47Å; A103-Y106 PolarHBondContact O-N 3.34Å; Y106-E109 PolarHBondContact O-N 3.14Å; Y106-T110 PolarHBondContact O-N 3.32Å; Y106-T110 PolarHBondContact O-OG1 3.17Å; Y106-I154 HydrophobicContact CD1-CG2 4.1Å; Y106-H157 HydrophobicContact CD1-CB 4.22Å; Y106-H157 HydrophobicContact CE1-CB 3.64Å; Y106-H157 HydrophobicContact CE2-CB 4.16Å; Y106-I161 HydrophobicContact CD2-CD1 3.41Å; Y106-I161 VanDerWaalsContact CD2-CD1 3.41Å; Y106-I161 HydrophobicContact CE2-CD1 3.23Å
107	I	80.7	Confident	83.9	Confident	11 Å²	11	56.2 Å²	56.2	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.3	-65.6	175.5	0	0	0	111.2	V12 I63 I66 A103 L104 N105 E109 T110 Q111 L158	V12-I107 HydrophobicContact CB-CD1 4.49Å; V12-I107 HydrophobicContact CB-CG1 4.1Å; V12-I107 HydrophobicContact CG1-CB 4.48Å; V12-I107 HydrophobicContact CG1-CG1 4.04Å; V12-I107 HydrophobicContact CG1-CG2 4.42Å; V12-I107 HydrophobicContact CG2-CB 4.19Å; V12-I107 HydrophobicContact CG2-CD1 3.7Å; V12-I107 HydrophobicContact CG2-CG1 3.62Å; V12-I107 HydrophobicContact CG2-CG2 3.67Å; I63-I107 HydrophobicContact CD1-CG2 3.41Å; I63-I107 VanDerWaalsContact CD1-CG2 3.41Å; I63-I107 HydrophobicContact CG1-CG2 3.58Å; I63-I107 HydrophobicContact CG2-CG2 4.32Å; I66-I107 HydrophobicContact CD1-CD1 4.37Å; I66-I107 HydrophobicContact CG2-CD1 4.32Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.92Å; L104-I107 PolarHBondContact O-N 2.85Å; N105-I107 PolarHBondContact O-N 2.84Å; I107-E109 VanDerWaalsContact C-N 3.35Å; I107-T110 WeakPolarHBondContact O-CB 3.37Å; I107-T110 PolarHBondContact O-N 2.74Å; I107-Q111 PolarHBondContact O-N 3.18Å; I107-L158 HydrophobicContact CG1-CD1 4.21Å; I107-L158 HydrophobicContact CG1-CD2 4.11Å
108	H	83.4	Confident	83.2	Confident	87 Å²	87	57.6 Å²	57.6	40%	0.403	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-38	173.8	-66.3	112.9	0	0	0	111.9	L104 N105 T110 Q111 N112	L104-H108 PolarHBondContact O-N 2.91Å; L104-H108 VanDerWaalsContact O-N 3.16Å; L104-H108 PolarHBondContact O-ND1 2.98Å; N105-H108 WeakPolarHBondContact O-CA 3.41Å; N105-H108 WeakPolarHBondContact O-CB 3.47Å; N105-H108 PolarHBondContact O-N 3.25Å; H108-T110 VanDerWaalsContact C-N 3.31Å; H108-T110 PolarHBondContact O-N 2.84Å; H108-Q111 PolarHBondContact CD2-OE1 3Å; H108-Q111 VanDerWaalsContact CD2-OE1 3.3Å; H108-Q111 WeakPolarHBondContact O-CA 3.35Å; H108-Q111 WeakPolarHBondContact O-CB 3.41Å; H108-Q111 PolarHBondContact O-N 3.44Å; H108-N112 PolarHBondContact O-N 2.94Å
109	E	86.2	Confident	82.6	Confident	74 Å²	74	57.7 Å²	57.7	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-37	174.5	-63.7	-57.9	168.5	0	0	112	N105 Y106 I107 Q111 N112 T113 I154	N105-E109 PolarHBondContact O-N 2.9Å; Y106-E109 PolarHBondContact O-N 3.14Å; I107-E109 VanDerWaalsContact C-N 3.35Å; E109-Q111 VanDerWaalsContact C-N 3.28Å; E109-Q111 PolarHBondContact O-N 2.84Å; E109-N112 PolarHBondContact O-N 2.8Å; E109-N112 VanDerWaalsContact O-N 3.17Å; E109-N112 PolarHBondContact OE2-ND2 2.71Å; E109-T113 WeakPolarHBondContact O-CG2 3.49Å; E109-T113 PolarHBondContact O-N 2.86Å; E109-T113 PolarHBondContact O-OG1 3.36Å; E109-I154 HydrophobicContact CB-CD1 4.11Å
110	T	79.4	Confident	81.9	Confident	17 Å²	17	57.5 Å²	57.5	10%	0.104	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-37.7	171.1	-48.2	0	0	0	0	111.7	V12 Y106 I107 H108 T113 L114 I154	V12-T110 HydrophobicContact CG1-CG2 4.32Å; Y106-T110 PolarHBondContact O-N 3.32Å; Y106-T110 PolarHBondContact O-OG1 3.17Å; I107-T110 WeakPolarHBondContact O-CB 3.37Å; I107-T110 PolarHBondContact O-N 2.74Å; H108-T110 VanDerWaalsContact C-N 3.31Å; H108-T110 PolarHBondContact O-N 2.84Å; T110-T113 WeakPolarHBondContact CA-OG1 3.43Å; T110-T113 PolarHBondContact O-N 3.31Å; T110-T113 PolarHBondContact O-OG1 2.95Å; T110-L114 VanDerWaalsContact O-CG 3.31Å; T110-L114 WeakPolarHBondContact O-CG 3.25Å; T110-L114 PolarHBondContact O-N 3.15Å; T110-I154 WeakPolarHBondContact OG1-CG2 3.24Å
111	Q	76.1	Confident	81.1	Confident	37 Å²	37	56.8 Å²	56.8	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-41.8	174.2	-60.8	-177.3	-75.4	0	0	111.8	V59 I63 I107 H108 E109 T113 L114 N115	V59-Q111 HydrophobicContact CG1-CG 3.84Å; I63-Q111 HydrophobicContact CD1-CG 3.25Å; I107-Q111 PolarHBondContact O-N 3.18Å; H108-Q111 PolarHBondContact CD2-OE1 3Å; H108-Q111 VanDerWaalsContact CD2-OE1 3.3Å; H108-Q111 WeakPolarHBondContact O-CA 3.35Å; H108-Q111 WeakPolarHBondContact O-CB 3.41Å; H108-Q111 PolarHBondContact O-N 3.44Å; E109-Q111 VanDerWaalsContact C-N 3.28Å; E109-Q111 PolarHBondContact O-N 2.84Å; Q111-T113 VanDerWaalsContact C-N 3.33Å; Q111-T113 PolarHBondContact O-N 3.45Å; Q111-L114 WeakPolarHBondContact O-CB 3.29Å; Q111-L114 PolarHBondContact O-N 3.34Å; Q111-N115 PolarHBondContact O-N 2.7Å
112	N	82.7	Confident	80.5	Confident	80 Å²	80	52.8 Å²	52.8	43%	0.428	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-39.9	178.1	-65.5	-24.7	0	0	0	111.4	H108 E109 N115 N116	H108-N112 PolarHBondContact O-N 2.94Å; E109-N112 PolarHBondContact O-N 2.8Å; E109-N112 VanDerWaalsContact O-N 3.17Å; E109-N112 PolarHBondContact OE2-ND2 2.71Å; N112-N115 WeakPolarHBondContact O-CB 3.05Å; N112-N115 PolarHBondContact O-N 3.12Å; N112-N116 PolarHBondContact O-N 3.18Å
113	T	80.3	Confident	79.7	Confident	12 Å²	12	51.3 Å²	51.3	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-36.9	175.6	56.4	0	0	0	0	111.9	E109 T110 Q111 N115 N116 L117 Y147 I154	E109-T113 WeakPolarHBondContact O-CG2 3.49Å; E109-T113 PolarHBondContact O-N 2.86Å; E109-T113 PolarHBondContact O-OG1 3.36Å; T110-T113 WeakPolarHBondContact CA-OG1 3.43Å; T110-T113 PolarHBondContact O-N 3.31Å; T110-T113 PolarHBondContact O-OG1 2.95Å; Q111-T113 VanDerWaalsContact C-N 3.33Å; Q111-T113 PolarHBondContact O-N 3.45Å; T113-N115 PolarHBondContact O-N 2.99Å; T113-N116 WeakPolarHBondContact O-CA 3.49Å; T113-N116 VanDerWaalsContact O-CB 3.26Å; T113-N116 WeakPolarHBondContact O-CB 3.28Å; T113-N116 PolarHBondContact O-N 2.79Å; T113-L117 PolarHBondContact O-N 2.89Å; T113-Y147 WeakPolarHBondContact O-CE2 3.41Å; T113-I154 HydrophobicContact CG2-CD1 3.63Å
114	L	75.6	Confident	78.8	Confident	29 Å²	29	53.5 Å²	53.5	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-36	173	-75.6	167.1	0	0	0	112.4	V59 T110 Q111 N116 L117 H118	V59-L114 HydrophobicContact CG1-CD1 4.21Å; V59-L114 HydrophobicContact CG2-CD1 4.1Å; T110-L114 VanDerWaalsContact O-CG 3.31Å; T110-L114 WeakPolarHBondContact O-CG 3.25Å; T110-L114 PolarHBondContact O-N 3.15Å; Q111-L114 WeakPolarHBondContact O-CB 3.29Å; Q111-L114 PolarHBondContact O-N 3.34Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 3.41Å; L114-L117 WeakPolarHBondContact O-CB 3.37Å; L114-L117 PolarHBondContact O-N 3.45Å; L114-H118 PolarHBondContact O-N 3.32Å
115	N	77.6	Confident	78	Confident	90 Å²	90	56.9 Å²	56.9	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-35.2	172.6	-64.7	-28.7	0	0	0	112.1	Q111 N112 T113 H118 S119	Q111-N115 PolarHBondContact O-N 2.7Å; N112-N115 WeakPolarHBondContact O-CB 3.05Å; N112-N115 PolarHBondContact O-N 3.12Å; T113-N115 PolarHBondContact O-N 2.99Å; N115-H118 PolarHBondContact O-N 3.48Å; N115-S119 PolarHBondContact O-N 2.77Å
116	N	77.1	Confident	77.1	Confident	94 Å²	94	55.5 Å²	55.5	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-41.2	173.1	-64.9	-26.3	0	0	0	111.4	N112 T113 L114 S119 I120	N112-N116 PolarHBondContact O-N 3.18Å; T113-N116 WeakPolarHBondContact O-CA 3.49Å; T113-N116 VanDerWaalsContact O-CB 3.26Å; T113-N116 WeakPolarHBondContact O-CB 3.28Å; T113-N116 PolarHBondContact O-N 2.79Å; L114-N116 VanDerWaalsContact C-N 3.3Å; L114-N116 PolarHBondContact O-N 3.41Å; N116-S119 WeakPolarHBondContact O-CB 2.94Å; N116-S119 PolarHBondContact O-N 2.89Å; N116-I120 WeakPolarHBondContact O-CG1 3.25Å; N116-I120 PolarHBondContact O-N 3.37Å
117	L	76.5	Confident	76.2	Confident	22 Å²	22	54.6 Å²	54.6	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-45.1	174.3	-179.4	63.2	0	0	0	111.2	T113 L114 S119 I120 S121 L144 Y147	T113-L117 PolarHBondContact O-N 2.89Å; L114-L117 WeakPolarHBondContact O-CB 3.37Å; L114-L117 PolarHBondContact O-N 3.45Å; L117-S119 PolarHBondContact O-N 3.39Å; L117-I120 PolarHBondContact O-N 3.21Å; L117-I120 VanDerWaalsContact O-N 3.14Å; L117-S121 WeakPolarHBondContact O-CB 3.32Å; L117-S121 PolarHBondContact O-N 3.26Å; L117-L144 HydrophobicContact CD1-CD2 4.25Å; L117-Y147 HydrophobicContact CB-CD2 4.22Å; L117-Y147 HydrophobicContact CB-CE1 4.05Å; L117-Y147 HydrophobicContact CB-CE2 3.7Å; L117-Y147 HydrophobicContact CD1-CD1 4.05Å; L117-Y147 HydrophobicContact CD1-CE1 3.89Å; L117-Y147 HydrophobicContact CD2-CE1 3.77Å; L117-Y147 WeakPolarHBondContact CD2-OH 3.1Å; L117-Y147 HydrophobicContact CG-CE1 4.12Å
118	H	74.1	Confident	75.4	Confident	69 Å²	69	59.6 Å²	59.6	32%	0.319	32%	0.319	S	S	.	.	H	α-helix	trans	-58.3	-38	176.1	-174.3	70.5	0	0	0	112.3	N53 L114 N115 S121 T122	N53-H118 PolarHBondContact OD1-CE1 3.11Å; L114-H118 PolarHBondContact O-N 3.32Å; N115-H118 PolarHBondContact O-N 3.48Å; H118-S121 WeakPolarHBondContact O-CB 3.04Å; H118-T122 WeakPolarHBondContact O-CB 3.3Å; H118-T122 PolarHBondContact O-N 2.9Å; H118-T122 PolarHBondContact O-OG1 3.28Å
119	S	77	Confident	74.3	Confident	61 Å²	61	61.2 Å²	61.2	43%	0.427	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-47.7	173.2	-176	0	0	0	0	112.4	N115 N116 L117 S121 T122 Q123	N115-S119 PolarHBondContact O-N 2.77Å; N116-S119 WeakPolarHBondContact O-CB 2.94Å; N116-S119 PolarHBondContact O-N 2.89Å; L117-S119 PolarHBondContact O-N 3.39Å; S119-S121 VanDerWaalsContact C-N 3.33Å; S119-S121 PolarHBondContact O-N 3.44Å; S119-T122 PolarHBondContact O-N 3.24Å; S119-Q123 WeakPolarHBondContact O-CG 3.46Å; S119-Q123 PolarHBondContact O-N 3.01Å
120	I	73.7	Confident	73.1	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-45.2	176.3	-65.9	164.1	0	0	0	110.6	N116 L117 T122 Q123 L124 L144	N116-I120 WeakPolarHBondContact O-CG1 3.25Å; N116-I120 PolarHBondContact O-N 3.37Å; L117-I120 PolarHBondContact O-N 3.21Å; L117-I120 VanDerWaalsContact O-N 3.14Å; I120-T122 PolarHBondContact O-N 3.13Å; I120-Q123 WeakPolarHBondContact O-CB 3.28Å; I120-Q123 PolarHBondContact O-N 2.9Å; I120-L124 HydrophobicContact CG2-CD1 4.02Å; I120-L124 HydrophobicContact CG2-CG 4.47Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 3.02Å; I120-L144 HydrophobicContact CG2-CD2 3.83Å; I120-L144 HydrophobicContact CG2-CG 4.16Å
121	S	70.9	Confident	72.2	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-57.5	-45.1	175.8	163.2	0	0	0	0	112.5	V49 E52 L117 H118 S119 L124 R125	V49-S121 WeakPolarHBondContact CG1-OG 3.48Å; E52-S121 WeakPolarHBondContact OE2-CB 3.09Å; E52-S121 PolarHBondContact OE2-OG 3.38Å; L117-S121 WeakPolarHBondContact O-CB 3.32Å; L117-S121 PolarHBondContact O-N 3.26Å; H118-S121 WeakPolarHBondContact O-CB 3.04Å; S119-S121 VanDerWaalsContact C-N 3.33Å; S119-S121 PolarHBondContact O-N 3.44Å; S121-L124 PolarHBondContact O-N 3Å; S121-R125 PolarHBondContact O-N 2.97Å
122	T	77.4	Confident	71.6	Confident	78 Å²	78	71.2 Å²	71.2	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-41.9	175.8	-58	0	0	0	0	111.7	H118 S119 I120 L124 R125 G126	H118-T122 WeakPolarHBondContact O-CB 3.3Å; H118-T122 PolarHBondContact O-N 2.9Å; H118-T122 PolarHBondContact O-OG1 3.28Å; S119-T122 PolarHBondContact O-N 3.24Å; I120-T122 PolarHBondContact O-N 3.13Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 3.33Å; T122-R125 PolarHBondContact O-N 3.21Å; T122-G126 PolarHBondContact O-N 2.91Å
123	Q	74.4	Confident	71	Confident	112 Å²	112	71.5 Å²	71.5	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-43.1	174	-71	176.2	-10.7	0	0	111.7	S119 I120 R125 G126 L127	S119-Q123 WeakPolarHBondContact O-CG 3.46Å; S119-Q123 PolarHBondContact O-N 3.01Å; I120-Q123 WeakPolarHBondContact O-CB 3.28Å; I120-Q123 PolarHBondContact O-N 2.9Å; Q123-R125 PolarHBondContact O-N 3.3Å; Q123-G126 PolarHBondContact O-N 3.44Å; Q123-G126 VanDerWaalsContact O-N 3.15Å; Q123-L127 PolarHBondContact O-N 3.44Å
124	L	68.8	Low	70.5	Confident	45 Å²	45	75.6 Å²	75.6	24%	0.236	40%	0.4	C	S	.	.	H	α-helix	trans	-61.8	-41.3	177.8	-75	167	0	0	0	112.3	I120 S121 T122 G126 L127 M140	I120-L124 HydrophobicContact CG2-CD1 4.02Å; I120-L124 HydrophobicContact CG2-CG 4.47Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 3.02Å; S121-L124 PolarHBondContact O-N 3Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 3.33Å; L124-G126 PolarHBondContact O-N 3.16Å; L124-L127 HydrophobicContact CD2-CD1 4.34Å; L124-L127 PolarHBondContact O-N 3.04Å; L124-M140 HydrophobicContact CD2-CE 4.36Å; L124-M140 HydrophobicContact CD2-CG 4.31Å; L124-M140 HydrophobicContact CD2-SD 3.49Å; L124-M140 WeakPolarHBondContact CD2-SD 3.23Å; L124-M140 HydrophobicContact CG-SD 4.47Å
125	R	70.4	Confident	70.5	Confident	107 Å²	107	82.3 Å²	82.3	40%	0.404	43%	0.428	S	S	.	.	H	α-helix	trans	-66	-25.8	176.2	-70.9	-174.2	-166.1	179.8	9.9	113.1	V49 S121 T122 Q123	V49-R125 VanDerWaalsContact C-NH2 3.33Å; V49-R125 HydrophobicContact CG1-CG 4.19Å; V49-R125 VanDerWaalsContact CG1-NE 3.25Å; V49-R125 PolarHBondContact O-NH2 3.05Å; S121-R125 PolarHBondContact O-N 2.97Å; T122-R125 PolarHBondContact O-N 3.21Å; Q123-R125 PolarHBondContact O-N 3.3Å
126	G	70.6	Confident	70.2	Confident	57 Å²	57	79.9 Å²	79.9	59%	0.588	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.7	-179.9	0	0	0	0	0	115	T122 Q123 L124	T122-G126 PolarHBondContact O-N 2.91Å; Q123-G126 PolarHBondContact O-N 3.44Å; Q123-G126 VanDerWaalsContact O-N 3.15Å; L124-G126 PolarHBondContact O-N 3.16Å
127	L	67	Low	69.7	Low	45 Å²	45	76 Å²	76	24%	0.236	40%	0.396	C	S	.	.			trans	-78.6	125.9	-178.8	-68.5	172.2	0	0	0	111.9	Q123 L124 D131 L132 T136 M140	Q123-L127 PolarHBondContact O-N 3.44Å; L124-L127 HydrophobicContact CD2-CD1 4.34Å; L124-L127 PolarHBondContact O-N 3.04Å; L127-D131 HydrophobicContact CD2-CB 4.04Å; L127-L132 HydrophobicContact CD1-CD2 4.15Å; L127-T136 HydrophobicContact CD1-CG2 4.45Å; L127-T136 HydrophobicContact CD2-CG2 4.08Å; L127-M140 HydrophobicContact CD1-CE 3.18Å; L127-M140 HydrophobicContact CD1-SD 3.34Å; L127-M140 WeakPolarHBondContact CD1-SD 3.49Å; L127-M140 HydrophobicContact CD2-CE 3.98Å; L127-M140 HydrophobicContact CG-CE 3.84Å
128	N	64.3	Low	69.5	Low	115 Å²	115	77.7 Å²	77.7	62%	0.615	41%	0.41	S	S	*	.			trans	-83.9	157.5	163.8	-73.8	-51.6	0	0	0	110.3	K130 D131	N128-K130 PolarHBondContact O-N 3.3Å; N128-D131 WeakPolarHBondContact CB-OD2 3.32Å; N128-D131 PolarHBondContact N-OD2 2.82Å; N128-D131 VanDerWaalsContact N-OD2 3.17Å; N128-D131 PolarHBondContact O-N 2.86Å
129	H	59.4	Low	69.7	Low	121 Å²	121	77.9 Å²	77.9	56%	0.56	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-53	-24.6	178	-84.7	-64.7	0	0	0	114.5	D131	H129-D131 VanDerWaalsContact C-N 3.33Å
130	K	61.6	Low	69.5	Low	203 Å²	203	76.2 Å²	76.2	88%	0.883	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-75.8	-18.8	178.1	-63.6	-175.8	-179.8	-179.8	0	113.6	N128	N128-K130 PolarHBondContact O-N 3.3Å
131	D	60.2	Low	69.3	Low	80 Å²	80	77.9 Å²	77.9	43%	0.428	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-95.5	-3.4	-175.5	-52.2	-42.5	0	0	0	112.5	L127 N128 H129 D133	L127-D131 HydrophobicContact CD2-CB 4.04Å; N128-D131 WeakPolarHBondContact CB-OD2 3.32Å; N128-D131 PolarHBondContact N-OD2 2.82Å; N128-D131 VanDerWaalsContact N-OD2 3.17Å; N128-D131 PolarHBondContact O-N 2.86Å; H129-D131 VanDerWaalsContact C-N 3.33Å; D131-D133 PolarHBondContact O-N 3.28Å
132	L	64.4	Low	69.8	Low	56 Å²	56	80.2 Å²	80.2	29%	0.293	43%	0.431	S	S	.	.			trans	-81.2	57.6	178.8	-75.8	161.5	0	0	0	111.8	L127 V137	L127-L132 HydrophobicContact CD1-CD2 4.15Å; L132-V137 HydrophobicContact CB-CG2 4.27Å; L132-V137 HydrophobicContact CD2-CG2 3.65Å
133	D	69.4	Low	69.9	Low	85 Å²	85	78.5 Å²	78.5	46%	0.455	42%	0.423	S	S	.	.			trans	-70.9	158.8	167.2	78.8	4.5	0	0	0	111	D131 K135 T136 V137	D131-D133 PolarHBondContact O-N 3.28Å; D133-K135 PolarHBondContact O-N 3.2Å; D133-K135 VanDerWaalsContact O-N 3.11Å; D133-K135 PolarHBondContact OD1-N 2.99Å; D133-T136 PolarHBondContact O-N 3.35Å; D133-T136 WeakPolarHBondContact OD1-CB 3.25Å; D133-T136 PolarHBondContact OD1-N 3.25Å; D133-T136 PolarHBondContact OD1-OG1 3.02Å; D133-V137 VanDerWaalsContact O-CG2 3.31Å; D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.07Å; D133-V137 VanDerWaalsContact O-N 3.11Å
134	T	69.3	Low	69.9	Low	98 Å²	98	73.9 Å²	73.9	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-55.7	-32.7	-178.1	-52.9	0	0	0	0	112	S138	T134-S138 WeakPolarHBondContact O-CB 3.45Å; T134-S138 PolarHBondContact O-N 3.4Å; T134-S138 PolarHBondContact O-OG 2.58Å; T134-S138 VanDerWaalsContact O-OG 3.08Å
135	K	77.4	Confident	70.2	Confident	170 Å²	170	75.1 Å²	75.1	74%	0.739	41%	0.408	S	S	*	.	H	α-helix	trans	-70.6	-44.8	-177.7	-173.4	-179.7	178.4	-176.5	0	111.9	D133 S138 S139	D133-K135 PolarHBondContact O-N 3.2Å; D133-K135 VanDerWaalsContact O-N 3.11Å; D133-K135 PolarHBondContact OD1-N 2.99Å; K135-S138 PolarHBondContact O-N 2.89Å; K135-S139 WeakPolarHBondContact O-CB 3.47Å; K135-S139 PolarHBondContact O-N 3.23Å
136	T	69.6	Low	70.8	Confident	40 Å²	40	77.7 Å²	77.7	25%	0.245	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-46.4	177.8	-58.3	0	0	0	0	110	L127 D133 S139 M140	L127-T136 HydrophobicContact CD1-CG2 4.45Å; L127-T136 HydrophobicContact CD2-CG2 4.08Å; D133-T136 PolarHBondContact O-N 3.35Å; D133-T136 WeakPolarHBondContact OD1-CB 3.25Å; D133-T136 PolarHBondContact OD1-N 3.25Å; D133-T136 PolarHBondContact OD1-OG1 3.02Å; T136-S139 WeakPolarHBondContact O-CB 3.22Å; T136-S139 PolarHBondContact O-N 2.87Å; T136-M140 HydrophobicContact CG2-CE 3.81Å; T136-M140 HydrophobicContact CG2-SD 4.07Å; T136-M140 WeakPolarHBondContact O-CG 3.06Å; T136-M140 PolarHBondContact O-N 3.45Å
137	V	67.1	Low	71.2	Confident	11 Å²	11	75.8 Å²	75.8	7%	0.067	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-48.2	177.9	176.7	0	0	0	0	111.5	Y29 F30 L132 D133 S139 M140 Q141	Y29-V137 HydrophobicContact CE1-CG1 4.26Å; F30-V137 HydrophobicContact CE1-CG1 3.19Å; F30-V137 HydrophobicContact CZ-CG1 3.19Å; L132-V137 HydrophobicContact CB-CG2 4.27Å; L132-V137 HydrophobicContact CD2-CG2 3.65Å; D133-V137 VanDerWaalsContact O-CG2 3.31Å; D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.07Å; D133-V137 VanDerWaalsContact O-N 3.11Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 3.41Å; V137-M140 PolarHBondContact O-N 2.96Å; V137-Q141 WeakPolarHBondContact O-CG 3.24Å; V137-Q141 PolarHBondContact O-N 3.44Å
138	S	73.5	Confident	71.6	Confident	59 Å²	59	77.7 Å²	77.7	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-35.3	176.2	-66.1	0	0	0	0	113.1	T134 K135 A142	T134-S138 WeakPolarHBondContact O-CB 3.45Å; T134-S138 PolarHBondContact O-N 3.4Å; T134-S138 PolarHBondContact O-OG 2.58Å; T134-S138 VanDerWaalsContact O-OG 3.08Å; K135-S138 PolarHBondContact O-N 2.89Å; S138-A142 WeakPolarHBondContact O-CB 3.24Å; S138-A142 PolarHBondContact O-N 3Å
139	S	77.6	Confident	72.3	Confident	73 Å²	73	77.1 Å²	77.1	51%	0.51	39%	0.39	S	S	.	.	H	α-helix	trans	-65.5	-39.8	175.5	-179.6	0	0	0	0	112.3	K135 T136 V137 A142 S143	K135-S139 WeakPolarHBondContact O-CB 3.47Å; K135-S139 PolarHBondContact O-N 3.23Å; T136-S139 WeakPolarHBondContact O-CB 3.22Å; T136-S139 PolarHBondContact O-N 2.87Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 3.41Å; S139-A142 PolarHBondContact O-N 3.12Å; S139-S143 PolarHBondContact O-N 3.14Å; S139-S143 PolarHBondContact O-OG 2.79Å
140	M	72.2	Confident	73.4	Confident	25 Å²	25	74.4 Å²	74.4	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-43.4	176.2	-73.8	169.7	175.2	0	0	112.1	L124 L127 T136 V137 A142 S143 L144	L124-M140 HydrophobicContact CD2-CE 4.36Å; L124-M140 HydrophobicContact CD2-CG 4.31Å; L124-M140 HydrophobicContact CD2-SD 3.49Å; L124-M140 WeakPolarHBondContact CD2-SD 3.23Å; L124-M140 HydrophobicContact CG-SD 4.47Å; L127-M140 HydrophobicContact CD1-CE 3.18Å; L127-M140 HydrophobicContact CD1-SD 3.34Å; L127-M140 WeakPolarHBondContact CD1-SD 3.49Å; L127-M140 HydrophobicContact CD2-CE 3.98Å; L127-M140 HydrophobicContact CG-CE 3.84Å; T136-M140 HydrophobicContact CG2-CE 3.81Å; T136-M140 HydrophobicContact CG2-SD 4.07Å; T136-M140 WeakPolarHBondContact O-CG 3.06Å; T136-M140 PolarHBondContact O-N 3.45Å; V137-M140 PolarHBondContact O-N 2.96Å; M140-A142 VanDerWaalsContact C-N 3.32Å; M140-A142 PolarHBondContact O-N 3.28Å; M140-S143 PolarHBondContact O-N 3.35Å; M140-S143 VanDerWaalsContact O-N 3.17Å; M140-L144 WeakPolarHBondContact O-CG 3.16Å; M140-L144 PolarHBondContact O-N 2.81Å
141	Q	70.9	Confident	74.2	Confident	55 Å²	55	65.1 Å²	65.1	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-56	-48.3	171.8	-73.1	178.4	-63	0	0	111.3	F30 V137 S143 L144 I145	F30-Q141 HydrophobicContact CD2-CG 4.31Å; F30-Q141 HydrophobicContact CE1-CG 4.16Å; F30-Q141 HydrophobicContact CE2-CG 3.4Å; F30-Q141 HydrophobicContact CZ-CG 3.3Å; V137-Q141 WeakPolarHBondContact O-CG 3.24Å; V137-Q141 PolarHBondContact O-N 3.44Å; Q141-S143 VanDerWaalsContact C-N 3.27Å; Q141-S143 PolarHBondContact O-N 3.4Å; Q141-L144 PolarHBondContact O-N 3.29Å; Q141-I145 WeakPolarHBondContact O-CB 3.25Å; Q141-I145 VanDerWaalsContact O-CG1 3.25Å; Q141-I145 WeakPolarHBondContact O-CG1 3.49Å; Q141-I145 PolarHBondContact O-N 2.84Å
142	A	80.1	Confident	75	Confident	49 Å²	49	65.1 Å²	65.1	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-37.5	178.4	0	0	0	0	0	112.2	S138 S139 M140 R146	S138-A142 WeakPolarHBondContact O-CB 3.24Å; S138-A142 PolarHBondContact O-N 3Å; S139-A142 PolarHBondContact O-N 3.12Å; M140-A142 VanDerWaalsContact C-N 3.32Å; M140-A142 PolarHBondContact O-N 3.28Å; A142-R146 VanDerWaalsContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CB 3.1Å; A142-R146 PolarHBondContact O-N 2.93Å
143	S	79.2	Confident	75.7	Confident	42 Å²	42	67.8 Å²	67.8	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-68.2	-41.5	176.9	-58.7	0	0	0	0	112.2	S139 M140 Q141 R146 Y147	S139-S143 PolarHBondContact O-N 3.14Å; S139-S143 PolarHBondContact O-OG 2.79Å; M140-S143 PolarHBondContact O-N 3.35Å; M140-S143 VanDerWaalsContact O-N 3.17Å; Q141-S143 VanDerWaalsContact C-N 3.27Å; Q141-S143 PolarHBondContact O-N 3.4Å; S143-R146 PolarHBondContact O-N 3Å; S143-Y147 WeakPolarHBondContact O-CB 3.31Å; S143-Y147 PolarHBondContact O-N 3.15Å
144	L	74.9	Confident	76.4	Confident	15 Å²	15	64.7 Å²	64.7	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-40	177	-71.8	167.4	0	0	0	112.4	L22 I26 L117 I120 M140 Q141 Y147 R148	L22-L144 HydrophobicContact CD2-CD2 4.4Å; I26-L144 HydrophobicContact CD1-CD1 3.61Å; L117-L144 HydrophobicContact CD1-CD2 4.25Å; I120-L144 HydrophobicContact CG2-CD2 3.83Å; I120-L144 HydrophobicContact CG2-CG 4.16Å; M140-L144 WeakPolarHBondContact O-CG 3.16Å; M140-L144 PolarHBondContact O-N 2.81Å; Q141-L144 PolarHBondContact O-N 3.29Å; L144-Y147 PolarHBondContact O-N 3Å; L144-R148 WeakPolarHBondContact O-CB 3.41Å; L144-R148 PolarHBondContact O-N 3.2Å
145	I	76	Confident	76.7	Confident	72 Å²	72	60.6 Å²	60.6	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.1	-70.3	166	0	0	0	110	Q141 Y147 R148 Q149	Q141-I145 WeakPolarHBondContact O-CB 3.25Å; Q141-I145 VanDerWaalsContact O-CG1 3.25Å; Q141-I145 WeakPolarHBondContact O-CG1 3.49Å; Q141-I145 PolarHBondContact O-N 2.84Å; I145-Y147 PolarHBondContact O-N 3.49Å; I145-R148 PolarHBondContact O-N 3.36Å; I145-Q149 WeakPolarHBondContact O-CG 3.1Å; I145-Q149 PolarHBondContact O-N 2.97Å
146	R	81.5	Confident	76.7	Confident	161 Å²	161	53.2 Å²	53.2	61%	0.608	28%	0.275	S	S	*	.	H	α-helix	trans	-62.5	-42.8	177.1	-173.2	-175.8	-60.7	177.4	1.1	111.9	A142 S143 Q149 N150	A142-R146 VanDerWaalsContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CB 3.1Å; A142-R146 PolarHBondContact O-N 2.93Å; S143-R146 PolarHBondContact O-N 3Å; R146-Q149 PolarHBondContact O-N 3.48Å; R146-N150 WeakPolarHBondContact O-CB 3.32Å; R146-N150 VanDerWaalsContact O-CG 3.23Å; R146-N150 PolarHBondContact O-N 3.41Å; R146-N150 PolarHBondContact O-OD1 2.9Å
147	Y	80.1	Confident	77.4	Confident	17 Å²	17	53.7 Å²	53.7	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-47.9	174.8	171	-101.8	0	0	0	111.2	L19 T113 L117 S143 L144 I145 Q149 N150 V151	L19-Y147 HydrophobicContact CD2-CD1 4.47Å; L19-Y147 HydrophobicContact CD2-CE1 4.26Å; T113-Y147 WeakPolarHBondContact O-CE2 3.41Å; L117-Y147 HydrophobicContact CB-CD2 4.22Å; L117-Y147 HydrophobicContact CB-CE1 4.05Å; L117-Y147 HydrophobicContact CB-CE2 3.7Å; L117-Y147 HydrophobicContact CD1-CD1 4.05Å; L117-Y147 HydrophobicContact CD1-CE1 3.89Å; L117-Y147 HydrophobicContact CD2-CE1 3.77Å; L117-Y147 WeakPolarHBondContact CD2-OH 3.1Å; L117-Y147 HydrophobicContact CG-CE1 4.12Å; S143-Y147 WeakPolarHBondContact O-CB 3.31Å; S143-Y147 PolarHBondContact O-N 3.15Å; L144-Y147 PolarHBondContact O-N 3Å; I145-Y147 PolarHBondContact O-N 3.49Å; Y147-Q149 PolarHBondContact O-N 2.95Å; Y147-N150 PolarHBondContact O-N 2.88Å; Y147-V151 HydrophobicContact CD1-CG2 4.49Å; Y147-V151 HydrophobicContact CD2-CG2 4.11Å; Y147-V151 HydrophobicContact CE1-CG2 4.01Å; Y147-V151 HydrophobicContact CE2-CG2 3.54Å; Y147-V151 WeakPolarHBondContact O-CG2 3.23Å; Y147-V151 PolarHBondContact O-N 2.87Å
148	R	74.2	Confident	78.2	Confident	84 Å²	84	53.4 Å²	53.4	32%	0.317	27%	0.272	S	S	.	.	H	α-helix	trans	-56.8	-51.6	176.9	-174.4	-176.5	72.4	-164.6	2.7	111.1	L19 M23 L144 I145 N150 V151 E152	L19-R148 HydrophobicContact CD2-CB 4.17Å; L19-R148 HydrophobicContact CD2-CG 4.04Å; M23-R148 HydrophobicContact CE-CB 3.92Å; M23-R148 HydrophobicContact CE-CG 4.28Å; L144-R148 WeakPolarHBondContact O-CB 3.41Å; L144-R148 PolarHBondContact O-N 3.2Å; I145-R148 PolarHBondContact O-N 3.36Å; R148-N150 VanDerWaalsContact C-N 3.32Å; R148-N150 PolarHBondContact O-N 3.42Å; R148-V151 PolarHBondContact O-N 3.36Å; R148-V151 VanDerWaalsContact O-N 3.15Å; R148-E152 VanDerWaalsContact CD-OE1 3.31Å; R148-E152 WeakPolarHBondContact CD-OE1 3.2Å; R148-E152 HydrophobicContact CG-CG 4.22Å; R148-E152 VanDerWaalsContact CG-OE1 3.3Å; R148-E152 WeakPolarHBondContact CG-OE1 3.48Å; R148-E152 IonicContact NE-OE1 2.96Å; R148-E152 IonicContact NE-OE2 2.99Å; R148-E152 WeakPolarHBondContact O-CB 3.41Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 3.29Å
149	Q	79.7	Confident	78.4	Confident	104 Å²	104	54.3 Å²	54.3	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-56.7	-44.5	179.1	-73.2	172.6	-29.5	0	0	112.1	I145 R146 Y147 V151 E152 E153	I145-Q149 WeakPolarHBondContact O-CG 3.1Å; I145-Q149 PolarHBondContact O-N 2.97Å; R146-Q149 PolarHBondContact O-N 3.48Å; Y147-Q149 PolarHBondContact O-N 2.95Å; Q149-V151 PolarHBondContact O-N 3.09Å; Q149-E152 PolarHBondContact O-N 3.01Å; Q149-E153 WeakPolarHBondContact O-CB 3.5Å; Q149-E153 PolarHBondContact O-N 3.28Å
150	N	82.2	Confident	78.5	Confident	64 Å²	64	52.8 Å²	52.8	34%	0.342	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-41.1	178	-71.1	-5	0	0	0	112.3	R146 Y147 R148 I154	R146-N150 WeakPolarHBondContact O-CB 3.32Å; R146-N150 VanDerWaalsContact O-CG 3.23Å; R146-N150 PolarHBondContact O-N 3.41Å; R146-N150 PolarHBondContact O-OD1 2.9Å; Y147-N150 PolarHBondContact O-N 2.88Å; R148-N150 VanDerWaalsContact C-N 3.32Å; R148-N150 PolarHBondContact O-N 3.42Å; N150-I154 WeakPolarHBondContact O-CB 3.33Å; N150-I154 WeakPolarHBondContact O-CD1 3.41Å; N150-I154 VanDerWaalsContact O-CG1 3.23Å; N150-I154 WeakPolarHBondContact O-CG1 3.43Å; N150-I154 PolarHBondContact O-N 2.9Å
151	V	78.3	Confident	79.1	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-44.8	178.8	173	0	0	0	0	111.1	L16 Y147 R148 Q149 E153 I154 I155	L16-V151 HydrophobicContact CD2-CG1 3.72Å; Y147-V151 HydrophobicContact CD1-CG2 4.49Å; Y147-V151 HydrophobicContact CD2-CG2 4.11Å; Y147-V151 HydrophobicContact CE1-CG2 4.01Å; Y147-V151 HydrophobicContact CE2-CG2 3.54Å; Y147-V151 WeakPolarHBondContact O-CG2 3.23Å; Y147-V151 PolarHBondContact O-N 2.87Å; R148-V151 PolarHBondContact O-N 3.36Å; R148-V151 VanDerWaalsContact O-N 3.15Å; Q149-V151 PolarHBondContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 3.42Å; V151-I154 PolarHBondContact O-N 3.31Å; V151-I155 HydrophobicContact CG1-CD1 3.63Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 WeakPolarHBondContact O-CB 3.47Å; V151-I155 VanDerWaalsContact O-CG1 3.32Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 3.08Å
152	E	76.6	Confident	79.8	Confident	81 Å²	81	50.7 Å²	50.7	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-56.7	-46	174.8	-74.1	169.2	168.4	0	0	110.5	R148 Q149 I155 L156	R148-E152 VanDerWaalsContact CD-OE1 3.31Å; R148-E152 WeakPolarHBondContact CD-OE1 3.2Å; R148-E152 HydrophobicContact CG-CG 4.22Å; R148-E152 VanDerWaalsContact CG-OE1 3.3Å; R148-E152 WeakPolarHBondContact CG-OE1 3.48Å; R148-E152 IonicContact NE-OE1 2.96Å; R148-E152 IonicContact NE-OE2 2.99Å; R148-E152 WeakPolarHBondContact O-CB 3.41Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 3.29Å; Q149-E152 PolarHBondContact O-N 3.01Å; E152-I155 PolarHBondContact O-N 2.76Å; E152-L156 VanDerWaalsContact O-CB 3.3Å; E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.06Å
153	E	81	Confident	79.8	Confident	111 Å²	111	53.2 Å²	53.2	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-44.3	177.6	-174.8	175.8	-178.4	0	0	112.6	Q149 V151 L156 H157	Q149-E153 WeakPolarHBondContact O-CB 3.5Å; Q149-E153 PolarHBondContact O-N 3.28Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 3.22Å; E153-H157 VanDerWaalsContact CG-CE1 3.48Å; E153-H157 WeakPolarHBondContact CG-CE1 3.2Å; E153-H157 WeakPolarHBondContact CG-ND1 3.45Å; E153-H157 PolarHBondContact O-N 2.84Å; E153-H157 PolarHBondContact O-ND1 2.83Å; E153-H157 IonicContact OE1-CE1 3.82Å; E153-H157 PolarHBondContact OE1-CE1 3.43Å
154	I	83.2	Confident	80	Confident	21 Å²	21	56.5 Å²	56.5	11%	0.108	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-45.6	178.1	-73	164.1	0	0	0	110.8	Y106 E109 T110 T113 N150 V151 H157 L158	Y106-I154 HydrophobicContact CD1-CG2 4.1Å; E109-I154 HydrophobicContact CB-CD1 4.11Å; T110-I154 WeakPolarHBondContact OG1-CG2 3.24Å; T113-I154 HydrophobicContact CG2-CD1 3.63Å; N150-I154 WeakPolarHBondContact O-CB 3.33Å; N150-I154 WeakPolarHBondContact O-CD1 3.41Å; N150-I154 VanDerWaalsContact O-CG1 3.23Å; N150-I154 WeakPolarHBondContact O-CG1 3.43Å; N150-I154 PolarHBondContact O-N 2.9Å; V151-I154 PolarHBondContact O-N 3.31Å; I154-H157 PolarHBondContact O-N 3.41Å; I154-L158 WeakPolarHBondContact O-CB 3.39Å; I154-L158 PolarHBondContact O-N 3.2Å
155	I	76.2	Confident	80.6	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-44.9	-178.5	-70.7	171.7	0	0	0	110.3	V13 L16 V151 E152 H157 L158 E159	V13-I155 HydrophobicContact CG1-CG2 4.25Å; L16-I155 HydrophobicContact CD1-CD1 3.29Å; L16-I155 HydrophobicContact CD2-CD1 4.03Å; L16-I155 HydrophobicContact CG-CD1 3.65Å; V151-I155 HydrophobicContact CG1-CD1 3.63Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 WeakPolarHBondContact O-CB 3.47Å; V151-I155 VanDerWaalsContact O-CG1 3.32Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 3.08Å; E152-I155 PolarHBondContact O-N 2.76Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.39Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.23Å; I155-L158 VanDerWaalsContact O-N 3.14Å; I155-E159 HydrophobicContact CG2-CG 4.43Å; I155-E159 WeakPolarHBondContact O-CG 3.49Å; I155-E159 PolarHBondContact O-N 3.17Å
156	L	76.9	Confident	80.9	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-45.3	175.7	179.3	63.2	0	0	0	112.1	E152 E153 E159 I160 E368	E152-L156 VanDerWaalsContact O-CB 3.3Å; E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.06Å; E153-L156 PolarHBondContact O-N 3.22Å; L156-E159 PolarHBondContact O-N 3.48Å; L156-I160 HydrophobicContact CD1-CD1 4.24Å; L156-I160 HydrophobicContact CG-CD1 4.1Å; L156-I160 WeakPolarHBondContact O-CD1 3.44Å; L156-I160 VanDerWaalsContact O-CG1 3.23Å; L156-I160 WeakPolarHBondContact O-CG1 3.47Å; L156-I160 PolarHBondContact O-N 3.37Å; L156-E368 HydrophobicContact CD1-CB 4.3Å; L156-E368 HydrophobicContact CD2-CB 4.43Å; L156-E368 HydrophobicContact CD2-CG 4.38Å
157	H	83.3	Confident	81	Confident	50 Å²	50	51.9 Å²	51.9	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-38.1	177.2	-74.4	96.1	0	0	0	112.4	Y106 E153 I154 I155 I160 I161	Y106-H157 HydrophobicContact CD1-CB 4.22Å; Y106-H157 HydrophobicContact CE1-CB 3.64Å; Y106-H157 HydrophobicContact CE2-CB 4.16Å; E153-H157 VanDerWaalsContact CG-CE1 3.48Å; E153-H157 WeakPolarHBondContact CG-CE1 3.2Å; E153-H157 WeakPolarHBondContact CG-ND1 3.45Å; E153-H157 PolarHBondContact O-N 2.84Å; E153-H157 PolarHBondContact O-ND1 2.83Å; E153-H157 IonicContact OE1-CE1 3.82Å; E153-H157 PolarHBondContact OE1-CE1 3.43Å; I154-H157 PolarHBondContact O-N 3.41Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.39Å; H157-I160 PolarHBondContact O-N 2.96Å; H157-I161 WeakPolarHBondContact O-CB 3.2Å; H157-I161 WeakPolarHBondContact O-CD1 3.39Å; H157-I161 VanDerWaalsContact O-CG1 3.25Å; H157-I161 WeakPolarHBondContact O-CG1 3.47Å; H157-I161 PolarHBondContact O-N 3.16Å
158	L	85.3	Confident	81.2	Confident	4 Å²	4	53 Å²	53	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-48.1	175.4	179.8	59.3	0	0	0	110.9	V12 A103 I107 I154 I155 I160 I161 L162	V12-L158 HydrophobicContact CB-CD2 3.99Å; V12-L158 HydrophobicContact CG1-CD2 3.89Å; A103-L158 HydrophobicContact CB-CD1 3.86Å; I107-L158 HydrophobicContact CG1-CD1 4.21Å; I107-L158 HydrophobicContact CG1-CD2 4.11Å; I154-L158 WeakPolarHBondContact O-CB 3.39Å; I154-L158 PolarHBondContact O-N 3.2Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.23Å; I155-L158 VanDerWaalsContact O-N 3.14Å; L158-I160 PolarHBondContact O-N 2.77Å; L158-I161 PolarHBondContact O-N 2.98Å; L158-L162 HydrophobicContact CD1-CD1 3.83Å; L158-L162 HydrophobicContact CD1-CG 4.14Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CD1 3.21Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.03Å
159	E	77.6	Confident	81.7	Confident	78 Å²	78	52.3 Å²	52.3	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-47.3	175.8	-73	176.6	171.8	0	0	111.9	I155 L156 I161 L162 N163	I155-E159 HydrophobicContact CG2-CG 4.43Å; I155-E159 WeakPolarHBondContact O-CG 3.49Å; I155-E159 PolarHBondContact O-N 3.17Å; L156-E159 PolarHBondContact O-N 3.48Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.49Å; E159-L162 PolarHBondContact O-N 3.19Å; E159-N163 VanDerWaalsContact O-CB 3.32Å; E159-N163 WeakPolarHBondContact O-CB 3.36Å; E159-N163 VanDerWaalsContact O-CG 3.31Å; E159-N163 PolarHBondContact O-N 3.22Å; E159-N163 PolarHBondContact O-ND2 3.29Å
160	I	78.9	Confident	81.9	Confident	42 Å²	42	48.9 Å²	48.9	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-43.7	176.4	-70.8	165.7	0	0	0	111.1	L156 H157 L158 K164 K373	L156-I160 HydrophobicContact CD1-CD1 4.24Å; L156-I160 HydrophobicContact CG-CD1 4.1Å; L156-I160 WeakPolarHBondContact O-CD1 3.44Å; L156-I160 VanDerWaalsContact O-CG1 3.23Å; L156-I160 WeakPolarHBondContact O-CG1 3.47Å; L156-I160 PolarHBondContact O-N 3.37Å; H157-I160 PolarHBondContact O-N 2.96Å; L158-I160 PolarHBondContact O-N 2.77Å; I160-K164 HydrophobicContact CG2-CD 4.21Å; I160-K164 WeakPolarHBondContact O-CB 3.14Å; I160-K164 WeakPolarHBondContact O-CG 3.31Å; I160-K164 PolarHBondContact O-N 3.13Å; I160-K373 HydrophobicContact CD1-CD 4.38Å
161	I	85.7	Confident	82	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.062	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-44.5	-179.1	-75.6	167.3	0	0	0	111	L99 R102 A103 Y106 H157 L158 E159 K164 L165	L99-I161 HydrophobicContact CB-CG2 4.04Å; L99-I161 HydrophobicContact CD2-CG1 4.43Å; L99-I161 HydrophobicContact CD2-CG2 4.43Å; L99-I161 WeakPolarHBondContact O-CG2 2.99Å; R102-I161 HydrophobicContact CB-CD1 3.86Å; A103-I161 HydrophobicContact CB-CG2 3.82Å; Y106-I161 HydrophobicContact CD2-CD1 3.41Å; Y106-I161 VanDerWaalsContact CD2-CD1 3.41Å; Y106-I161 HydrophobicContact CE2-CD1 3.23Å; H157-I161 WeakPolarHBondContact O-CB 3.2Å; H157-I161 WeakPolarHBondContact O-CD1 3.39Å; H157-I161 VanDerWaalsContact O-CG1 3.25Å; H157-I161 WeakPolarHBondContact O-CG1 3.47Å; H157-I161 PolarHBondContact O-N 3.16Å; L158-I161 PolarHBondContact O-N 2.98Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.49Å; I161-K164 PolarHBondContact O-N 3.14Å; I161-L165 WeakPolarHBondContact O-CB 3.3Å; I161-L165 PolarHBondContact O-N 2.96Å
162	L	84.5	Confident	82.3	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-41.2	-179.2	-68.1	166.4	0	0	0	111.8	L10 A103 L158 E159 K164 L165 G166	L10-L162 HydrophobicContact CD1-CB 4.49Å; L10-L162 HydrophobicContact CD1-CD1 3.54Å; L10-L162 HydrophobicContact CD1-CD2 3.81Å; L10-L162 HydrophobicContact CD1-CG 4.14Å; L10-L162 HydrophobicContact CD2-CD1 3.33Å; L10-L162 HydrophobicContact CG-CD1 3.63Å; A103-L162 HydrophobicContact CB-CD2 4.16Å; L158-L162 HydrophobicContact CD1-CD1 3.83Å; L158-L162 HydrophobicContact CD1-CG 4.14Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CD1 3.21Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.03Å; E159-L162 PolarHBondContact O-N 3.19Å; L162-K164 VanDerWaalsContact C-N 3.34Å; L162-K164 PolarHBondContact O-N 3.02Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.43Å; L162-G166 PolarHBondContact O-N 3.32Å; L162-G166 VanDerWaalsContact O-N 3.1Å
163	N	80.9	Confident	82.9	Confident	101 Å²	101	51.1 Å²	51.1	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-45.8	171.9	-77.2	-26.1	0	0	0	111.2	E159 G166 Q167	E159-N163 VanDerWaalsContact O-CB 3.32Å; E159-N163 WeakPolarHBondContact O-CB 3.36Å; E159-N163 VanDerWaalsContact O-CG 3.31Å; E159-N163 PolarHBondContact O-N 3.22Å; E159-N163 PolarHBondContact O-ND2 3.29Å; N163-G166 PolarHBondContact O-N 2.8Å; N163-Q167 WeakPolarHBondContact O-CG 3.27Å; N163-Q167 PolarHBondContact O-N 2.91Å
164	K	84.1	Confident	83.3	Confident	112 Å²	112	50 Å²	50	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-39.5	175.4	-76.7	-178.5	178.1	-177	0	112.3	L99 I160 I161 L162 G166 Q167 L168	L99-K164 HydrophobicContact CD1-CB 3.49Å; L99-K164 VanDerWaalsContact CD1-CB 3.49Å; I160-K164 HydrophobicContact CG2-CD 4.21Å; I160-K164 WeakPolarHBondContact O-CB 3.14Å; I160-K164 WeakPolarHBondContact O-CG 3.31Å; I160-K164 PolarHBondContact O-N 3.13Å; I161-K164 PolarHBondContact O-N 3.14Å; L162-K164 VanDerWaalsContact C-N 3.34Å; L162-K164 PolarHBondContact O-N 3.02Å; K164-G166 PolarHBondContact O-N 3.14Å; K164-Q167 WeakPolarHBondContact O-CA 3.15Å; K164-Q167 WeakPolarHBondContact O-CB 3.24Å; K164-Q167 PolarHBondContact O-N 2.87Å; K164-L168 WeakPolarHBondContact O-CG 3.41Å; K164-L168 PolarHBondContact O-N 3.32Å
165	L	86	Confident	83.6	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-41.5	177.4	-165.8	70.5	0	0	0	111	H96 L99 R100 I161 L162 Q167 L168	H96-L165 HydrophobicContact CB-CD1 4.42Å; H96-L165 WeakPolarHBondContact O-CD1 3.42Å; L99-L165 HydrophobicContact CB-CD1 3.9Å; R100-L165 HydrophobicContact CB-CD1 4.27Å; I161-L165 WeakPolarHBondContact O-CB 3.3Å; I161-L165 PolarHBondContact O-N 2.96Å; L162-L165 WeakPolarHBondContact O-CB 3.34Å; L162-L165 PolarHBondContact O-N 3.43Å; L165-Q167 PolarHBondContact O-N 2.86Å; L165-L168 PolarHBondContact O-N 2.8Å
166	G	82.1	Confident	84.4	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.5	175.1	0	0	0	0	0	115.5	L162 N163 K164 S171 R175	L162-G166 PolarHBondContact O-N 3.32Å; L162-G166 VanDerWaalsContact O-N 3.1Å; N163-G166 PolarHBondContact O-N 2.8Å; K164-G166 PolarHBondContact O-N 3.14Å; G166-S171 WeakPolarHBondContact O-CB 3.15Å; G166-R175 PolarHBondContact O-NH2 3.5Å
167	Q	83.8	Confident	85.3	Confident	115 Å²	115	57 Å²	57	54%	0.537	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-14.7	179.3	-65.8	171.5	16.1	0	0	113.7	N163 K164 L165	N163-Q167 WeakPolarHBondContact O-CG 3.27Å; N163-Q167 PolarHBondContact O-N 2.91Å; K164-Q167 WeakPolarHBondContact O-CA 3.15Å; K164-Q167 WeakPolarHBondContact O-CB 3.24Å; K164-Q167 PolarHBondContact O-N 2.87Å; L165-Q167 PolarHBondContact O-N 2.86Å
168	L	84.8	Confident	85.8	Confident	41 Å²	41	55 Å²	55	22%	0.215	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	166.4	-177.4	-69.9	178.8	0	0	0	112.9	S95 H96 L99 K164 L165 G170 S171	S95-L168 VanDerWaalsContact C-CD1 3.46Å; H96-L168 HydrophobicContact CB-CD1 4.19Å; L99-L168 HydrophobicContact CD1-CD1 3.63Å; L99-L168 HydrophobicContact CD1-CG 4.43Å; L99-L168 HydrophobicContact CG-CD1 4.21Å; K164-L168 WeakPolarHBondContact O-CG 3.41Å; K164-L168 PolarHBondContact O-N 3.32Å; L165-L168 PolarHBondContact O-N 2.8Å; L168-G170 PolarHBondContact O-N 3.4Å; L168-S171 WeakPolarHBondContact O-CB 3.18Å; L168-S171 PolarHBondContact O-N 3.5Å; L168-S171 PolarHBondContact O-OG 3.07Å
169	D	84.8	Confident	86.3	Confident	68 Å²	68	54.8 Å²	54.8	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	36.6	172.4	-51.8	-26.3	0	0	0	113.9	G93 H96 S171	G93-D169 WeakPolarHBondContact CA-OD1 3.13Å; G93-D169 VanDerWaalsContact N-CG 3.32Å; G93-D169 PolarHBondContact N-OD1 2.94Å; G93-D169 PolarHBondContact N-OD2 3.48Å; H96-D169 WeakPolarHBondContact CB-OD2 3.47Å; H96-D169 IonicContact CG-OD2 3.39Å; H96-D169 IonicContact ND1-OD2 3.52Å; H96-D169 PolarHBondContact ND1-OD2 3.37Å; D169-S171 PolarHBondContact O-N 2.77Å
170	G	83.5	Confident	87.2	Confident	32 Å²	32	52.8 Å²	52.8	33%	0.33	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-1.5	-179.3	0	0	0	0	0	114.7	L168 S172 Q173 I174	L168-G170 PolarHBondContact O-N 3.4Å; G170-S172 VanDerWaalsContact C-N 3.27Å; G170-S172 PolarHBondContact O-N 2.91Å; G170-Q173 PolarHBondContact O-N 3.36Å; G170-Q173 VanDerWaalsContact O-N 3.13Å; G170-Q173 PolarHBondContact O-OE1 2.75Å; G170-I174 WeakPolarHBondContact O-CG1 3.38Å; G170-I174 PolarHBondContact O-N 3.04Å
171	S	84.6	Confident	88	Confident	44 Å²	44	54.2 Å²	54.2	31%	0.308	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-37.8	-175.2	-59.1	0	0	0	0	112.6	G166 L168 D169 R175	G166-S171 WeakPolarHBondContact O-CB 3.15Å; L168-S171 WeakPolarHBondContact O-CB 3.18Å; L168-S171 PolarHBondContact O-N 3.5Å; L168-S171 PolarHBondContact O-OG 3.07Å; D169-S171 PolarHBondContact O-N 2.77Å; S171-R175 WeakPolarHBondContact O-CB 3.15Å; S171-R175 PolarHBondContact O-N 2.71Å
172	S	85.4	Confident	88.5	Confident	42 Å²	42	53.6 Å²	53.6	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-49.2	176.3	-174	0	0	0	0	111.6	G170 I174 R175 V176	G170-S172 VanDerWaalsContact C-N 3.27Å; G170-S172 PolarHBondContact O-N 2.91Å; S172-I174 PolarHBondContact O-N 3.12Å; S172-R175 WeakPolarHBondContact O-CB 3.36Å; S172-R175 PolarHBondContact O-N 2.99Å; S172-R175 VanDerWaalsContact O-N 3.15Å; S172-V176 WeakPolarHBondContact O-CG2 3.41Å; S172-V176 PolarHBondContact O-N 3.14Å
173	Q	88.1	Confident	89.1	Confident	114 Å²	114	52.8 Å²	52.8	53%	0.533	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-43.1	-179.9	-67.1	80.1	-0.8	0	0	111.4	G170 R175 V176 I177	G170-Q173 PolarHBondContact O-N 3.36Å; G170-Q173 VanDerWaalsContact O-N 3.13Å; G170-Q173 PolarHBondContact O-OE1 2.75Å; Q173-R175 VanDerWaalsContact C-N 3.26Å; Q173-R175 PolarHBondContact O-N 2.94Å; Q173-V176 PolarHBondContact O-N 3.48Å; Q173-I177 WeakPolarHBondContact O-CB 3.5Å; Q173-I177 VanDerWaalsContact O-CG1 3.26Å; Q173-I177 WeakPolarHBondContact O-CG1 3.31Å; Q173-I177 PolarHBondContact O-N 2.94Å
174	I	89.1	Confident	89.8	Confident	88 Å²	88	54 Å²	54	45%	0.451	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-42.4	174.6	-68.9	167.6	0	0	0	110.3	G170 S172 G178 L304	G170-I174 WeakPolarHBondContact O-CG1 3.38Å; G170-I174 PolarHBondContact O-N 3.04Å; S172-I174 PolarHBondContact O-N 3.12Å; I174-G178 WeakPolarHBondContact O-CA 3.27Å; I174-G178 PolarHBondContact O-N 3.35Å; I174-L304 HydrophobicContact CG2-CD2 4.32Å
175	R	90.9	Very high	90.4	Very high	77 Å²	77	53.3 Å²	53.3	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-53	178.7	-159.8	-177.3	-50.4	-169.7	3.8	112.2	G166 S171 S172 Q173 I177 G178 L179 L304 D466	G166-R175 PolarHBondContact O-NH2 3.5Å; S171-R175 WeakPolarHBondContact O-CB 3.15Å; S171-R175 PolarHBondContact O-N 2.71Å; S172-R175 WeakPolarHBondContact O-CB 3.36Å; S172-R175 PolarHBondContact O-N 2.99Å; S172-R175 VanDerWaalsContact O-N 3.15Å; Q173-R175 VanDerWaalsContact C-N 3.26Å; Q173-R175 PolarHBondContact O-N 2.94Å; R175-I177 PolarHBondContact O-N 3.26Å; R175-G178 PolarHBondContact O-N 3.01Å; R175-L179 HydrophobicContact CG-CD1 3.93Å; R175-L179 HydrophobicContact CG-CG 4.4Å; R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.35Å; R175-L179 PolarHBondContact O-N 3.44Å; R175-L304 VanDerWaalsContact CD-O 3.26Å; R175-L304 WeakPolarHBondContact CD-O 3.43Å; R175-L304 HydrophobicContact CG-CB 4.45Å; R175-L304 WeakPolarHBondContact CG-O 3.5Å; R175-D466 HydrophobicContact CG-CB 4.49Å; R175-D466 IonicContact NH1-OD2 2.89Å
176	V	92.9	Very high	90.8	Very high	24 Å²	24	52.7 Å²	52.7	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-50.4	179.7	168.6	0	0	0	0	111.2	S172 Q173 N180 H461 M462	S172-V176 WeakPolarHBondContact O-CG2 3.41Å; S172-V176 PolarHBondContact O-N 3.14Å; Q173-V176 PolarHBondContact O-N 3.48Å; V176-N180 VanDerWaalsContact O-CB 3.3Å; V176-N180 WeakPolarHBondContact O-CB 3.34Å; V176-N180 PolarHBondContact O-N 3.29Å; V176-N180 VanDerWaalsContact O-N 3.08Å; V176-H461 WeakPolarHBondContact CG1-O 3.23Å; V176-M462 HydrophobicContact CG1-CE 4.28Å; V176-M462 HydrophobicContact CG1-SD 3.8Å
177	I	94	Very high	91.5	Very high	94 Å²	94	53.7 Å²	53.7	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-45	-178.7	-65.9	168.3	0	0	0	110.5	Q173 R175 N180 N181	Q173-I177 WeakPolarHBondContact O-CB 3.5Å; Q173-I177 VanDerWaalsContact O-CG1 3.26Å; Q173-I177 WeakPolarHBondContact O-CG1 3.31Å; Q173-I177 PolarHBondContact O-N 2.94Å; R175-I177 PolarHBondContact O-N 3.26Å; I177-N180 PolarHBondContact O-N 3.44Å; I177-N181 WeakPolarHBondContact O-CB 3.19Å; I177-N181 PolarHBondContact O-N 3.21Å; I177-N181 PolarHBondContact O-ND2 3.22Å
178	G	95	Very high	92.1	Very high	7 Å²	7	54.2 Å²	54.2	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-48.7	-179.7	0	0	0	0	0	112.6	I174 R175 N180 N181 L182	I174-G178 WeakPolarHBondContact O-CA 3.27Å; I174-G178 PolarHBondContact O-N 3.35Å; R175-G178 PolarHBondContact O-N 3.01Å; G178-N180 PolarHBondContact O-N 2.99Å; G178-N181 PolarHBondContact O-N 2.94Å; G178-L182 PolarHBondContact O-N 3.32Å
179	L	96	Very high	92.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177.4	-69.3	174.7	0	0	0	111.9	R175 N181 L182 A183 L301 L304 H305 H461 D466	R175-L179 HydrophobicContact CG-CD1 3.93Å; R175-L179 HydrophobicContact CG-CG 4.4Å; R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.35Å; R175-L179 PolarHBondContact O-N 3.44Å; L179-N181 VanDerWaalsContact C-N 3.34Å; L179-N181 PolarHBondContact O-N 2.85Å; L179-L182 PolarHBondContact O-N 2.97Å; L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 3.49Å; L179-L301 HydrophobicContact CD2-CD1 3.9Å; L179-L304 HydrophobicContact CD2-CB 3.66Å; L179-L304 HydrophobicContact CG-CB 3.99Å; L179-H305 HydrophobicContact CD2-CB 4.01Å; L179-H461 HydrophobicContact CB-CB 3.93Å; L179-D466 HydrophobicContact CD1-CB 4.31Å
180	N	96.1	Very high	93.2	Very high	35 Å²	35	52 Å²	52	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-39.6	175.6	-173.5	49.1	0	0	0	112.3	V176 I177 G178 A183 K184 H461 M462	V176-N180 VanDerWaalsContact O-CB 3.3Å; V176-N180 WeakPolarHBondContact O-CB 3.34Å; V176-N180 PolarHBondContact O-N 3.29Å; V176-N180 VanDerWaalsContact O-N 3.08Å; I177-N180 PolarHBondContact O-N 3.44Å; G178-N180 PolarHBondContact O-N 2.99Å; N180-A183 PolarHBondContact O-N 2.97Å; N180-K184 PolarHBondContact ND2-NZ 3.32Å; N180-K184 WeakPolarHBondContact O-CG 3.2Å; N180-K184 PolarHBondContact O-N 2.75Å; N180-H461 HydrophobicContact CB-CB 4.42Å; N180-M462 HydrophobicContact CB-SD 3.97Å
181	N	95.9	Very high	93.8	Very high	72 Å²	72	52.9 Å²	52.9	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-70.6	-37.7	176.8	-71.8	-16.9	0	0	0	112.3	I177 G178 L179 R185	I177-N181 WeakPolarHBondContact O-CB 3.19Å; I177-N181 PolarHBondContact O-N 3.21Å; I177-N181 PolarHBondContact O-ND2 3.22Å; G178-N181 PolarHBondContact O-N 2.94Å; L179-N181 VanDerWaalsContact C-N 3.34Å; L179-N181 PolarHBondContact O-N 2.85Å; N181-R185 WeakPolarHBondContact O-CG 3.26Å; N181-R185 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-N 3.12Å; N181-R185 PolarHBondContact O-NE 3.35Å
182	L	95.8	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-48.3	169.8	-81.5	169.4	0	0	0	111.1	G178 L179 K184 R185 L186 M297 E300 L301 L304 W311	G178-L182 PolarHBondContact O-N 3.32Å; L179-L182 PolarHBondContact O-N 2.97Å; L182-K184 PolarHBondContact O-N 3.1Å; L182-R185 PolarHBondContact O-N 3.29Å; L182-L186 PolarHBondContact O-N 3.22Å; L182-M297 HydrophobicContact CD2-CB 3.95Å; L182-M297 HydrophobicContact CD2-CG 4.09Å; L182-E300 HydrophobicContact CD1-CB 4.28Å; L182-E300 HydrophobicContact CD1-CG 4.01Å; L182-E300 HydrophobicContact CD2-CB 4.2Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.28Å; L182-L301 HydrophobicContact CD1-CB 4.05Å; L182-L301 HydrophobicContact CD1-CD1 4.07Å; L182-L304 HydrophobicContact CD1-CD1 3.76Å; L182-W311 HydrophobicContact CB-CH2 3.82Å; L182-W311 HydrophobicContact CB-CZ2 3.83Å
183	A	96.7	Very high	94.9	Very high	7 Å²	7	55.9 Å²	55.9	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-49	179.5	0	0	0	0	0	111.5	L179 N180 R185 L186 Q187 W311 H461	L179-A183 WeakPolarHBondContact O-CB 3.47Å; L179-A183 PolarHBondContact O-N 3.49Å; N180-A183 PolarHBondContact O-N 2.97Å; A183-R185 VanDerWaalsContact C-N 3.33Å; A183-R185 PolarHBondContact O-N 2.95Å; A183-L186 PolarHBondContact O-N 3.21Å; A183-Q187 WeakPolarHBondContact O-CB 3.43Å; A183-Q187 VanDerWaalsContact O-CG 3.22Å; A183-Q187 WeakPolarHBondContact O-CG 3.36Å; A183-Q187 PolarHBondContact O-N 3.02Å; A183-W311 HydrophobicContact CB-CH2 4.49Å; A183-W311 HydrophobicContact CB-CZ2 3.82Å; A183-H461 WeakPolarHBondContact CB-CE1 3.43Å
184	K	96.7	Very high	95.3	Very high	127 Å²	127	50.5 Å²	50.5	55%	0.552	24%	0.236	S	C	*	.	H	α-helix	trans	-58.1	-43	177	-74	174.5	-178.9	178.2	0	112.7	N180 L182 K188	N180-K184 PolarHBondContact ND2-NZ 3.32Å; N180-K184 WeakPolarHBondContact O-CG 3.2Å; N180-K184 PolarHBondContact O-N 2.75Å; L182-K184 PolarHBondContact O-N 3.1Å; K184-K188 VanDerWaalsContact O-CB 3.24Å; K184-K188 WeakPolarHBondContact O-CB 3.13Å; K184-K188 PolarHBondContact O-N 3.47Å
185	R	95.8	Very high	95.7	Very high	97 Å²	97	47.1 Å²	47.1	37%	0.366	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-46.7	176.5	-77.7	178.7	-67.5	178.9	-9	111.4	N181 L182 A183 K188 K189 M297 E300	N181-R185 WeakPolarHBondContact O-CG 3.26Å; N181-R185 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-N 3.12Å; N181-R185 PolarHBondContact O-NE 3.35Å; L182-R185 PolarHBondContact O-N 3.29Å; A183-R185 VanDerWaalsContact C-N 3.33Å; A183-R185 PolarHBondContact O-N 2.95Å; R185-K188 PolarHBondContact O-N 3.32Å; R185-K189 WeakPolarHBondContact O-CG 3.48Å; R185-K189 PolarHBondContact O-N 2.88Å; R185-M297 HydrophobicContact CB-CE 3.93Å; R185-E300 IonicContact CZ-OE2 3.35Å; R185-E300 VanDerWaalsContact CZ-OE2 3.26Å; R185-E300 IonicContact NH1-OE2 3.21Å; R185-E300 PolarHBondContact NH1-OE2 3.05Å; R185-E300 IonicContact NH2-OE1 3.3Å; R185-E300 PolarHBondContact NH2-OE1 2.61Å; R185-E300 IonicContact NH2-OE2 2.73Å; R185-E300 PolarHBondContact NH2-OE2 2.87Å
186	L	95.3	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-49.4	179.9	179.7	56.9	0	0	0	111.8	L182 A183 K188 K189 I190 F230 P294 M297 W311 F312 Q315	L182-L186 PolarHBondContact O-N 3.22Å; A183-L186 PolarHBondContact O-N 3.21Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.97Å; L186-K189 PolarHBondContact O-N 3.48Å; L186-K189 VanDerWaalsContact O-N 3.12Å; L186-I190 HydrophobicContact CD1-CD1 4.02Å; L186-I190 HydrophobicContact CD1-CG1 4.12Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 HydrophobicContact CG-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 3.44Å; L186-F230 HydrophobicContact CD1-CE1 3.64Å; L186-F230 HydrophobicContact CD1-CZ 3.71Å; L186-P294 HydrophobicContact CD1-CG 4.45Å; L186-M297 HydrophobicContact CB-CE 4.18Å; L186-M297 HydrophobicContact CB-SD 3.95Å; L186-M297 HydrophobicContact CD1-SD 4.26Å; L186-W311 HydrophobicContact CB-CH2 4.39Å; L186-W311 HydrophobicContact CD2-CH2 3.99Å; L186-W311 HydrophobicContact CD2-CZ3 3.65Å; L186-F312 HydrophobicContact CD1-CE2 3.95Å; L186-F312 HydrophobicContact CD2-CD2 3.49Å; L186-F312 VanDerWaalsContact CD2-CD2 3.49Å; L186-F312 HydrophobicContact CD2-CE2 3.65Å; L186-F312 HydrophobicContact CG-CE2 4.45Å; L186-Q315 HydrophobicContact CD2-CB 3.7Å; L186-Q315 HydrophobicContact CD2-CG 3.92Å; L186-Q315 HydrophobicContact CG-CB 4.49Å
187	Q	96.9	Very high	96.1	Very high	43 Å²	43	49.7 Å²	49.7	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-41.2	176.6	-68.8	-64.5	-34.1	0	0	111.6	A183 I190 Q191 Q315	A183-Q187 WeakPolarHBondContact O-CB 3.43Å; A183-Q187 VanDerWaalsContact O-CG 3.22Å; A183-Q187 WeakPolarHBondContact O-CG 3.36Å; A183-Q187 PolarHBondContact O-N 3.02Å; Q187-I190 PolarHBondContact O-N 3.48Å; Q187-Q191 WeakPolarHBondContact O-CB 3.49Å; Q187-Q191 PolarHBondContact O-N 3.07Å; Q187-Q315 PolarHBondContact NE2-O 3.04Å
188	K	96.6	Very high	96.2	Very high	127 Å²	127	48.5 Å²	48.5	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-61.9	-48.2	174.6	179.9	177.9	171.2	-178.9	0	111.7	K184 R185 L186 I190 Q191 E192	K184-K188 VanDerWaalsContact O-CB 3.24Å; K184-K188 WeakPolarHBondContact O-CB 3.13Å; K184-K188 PolarHBondContact O-N 3.47Å; R185-K188 PolarHBondContact O-N 3.32Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.97Å; K188-I190 PolarHBondContact O-N 2.86Å; K188-Q191 PolarHBondContact O-N 2.86Å; K188-E192 WeakPolarHBondContact CE-OE1 3.47Å; K188-E192 HydrophobicContact CG-CG 4.37Å; K188-E192 IonicContact NZ-OE1 3.53Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.18Å
189	K	95.4	Very high	96.2	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.27	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-45.7	177.1	-75.7	-169	176.8	-168.2	0	112.2	R185 L186 Q191 E192 Q193 F230 D296 M297	R185-K189 WeakPolarHBondContact O-CG 3.48Å; R185-K189 PolarHBondContact O-N 2.88Å; L186-K189 PolarHBondContact O-N 3.48Å; L186-K189 VanDerWaalsContact O-N 3.12Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 3.49Å; K189-E192 PolarHBondContact O-N 2.6Å; K189-Q193 WeakPolarHBondContact O-CB 3.22Å; K189-Q193 PolarHBondContact O-N 3.45Å; K189-F230 HydrophobicContact CB-CE2 3.98Å; K189-F230 HydrophobicContact CB-CZ 3.88Å; K189-F230 HydrophobicContact CD-CZ 4.24Å; K189-D296 WeakPolarHBondContact CE-OD2 3.15Å; K189-D296 IonicContact NZ-OD1 2.69Å; K189-D296 PolarHBondContact NZ-OD1 2.71Å; K189-D296 IonicContact NZ-OD2 3.09Å; K189-D296 PolarHBondContact NZ-OD2 2.89Å; K189-M297 HydrophobicContact CD-CE 3.75Å
190	I	95.8	Very high	95.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-47	177.1	-62.7	166.6	0	0	0	109.6	L186 Q187 K188 E192 Q193 Q194 L226 F230 L316 Y319	L186-I190 HydrophobicContact CD1-CD1 4.02Å; L186-I190 HydrophobicContact CD1-CG1 4.12Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 HydrophobicContact CG-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 3.44Å; Q187-I190 PolarHBondContact O-N 3.48Å; K188-I190 PolarHBondContact O-N 2.86Å; I190-E192 PolarHBondContact O-N 3.45Å; I190-Q193 PolarHBondContact O-N 3.41Å; I190-Q194 HydrophobicContact CG2-CG 4.22Å; I190-Q194 WeakPolarHBondContact O-CB 3.5Å; I190-Q194 VanDerWaalsContact O-CG 3.3Å; I190-Q194 WeakPolarHBondContact O-CG 3.29Å; I190-Q194 PolarHBondContact O-N 3.29Å; I190-L226 HydrophobicContact CG2-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD2 4.48Å; I190-F230 HydrophobicContact CG1-CD2 4.05Å; I190-F230 HydrophobicContact CG1-CE2 3.85Å; I190-F230 HydrophobicContact CG1-CZ 4.23Å; I190-L316 HydrophobicContact CD1-CD2 3.98Å; I190-Y319 HydrophobicContact CB-CD2 4.18Å; I190-Y319 HydrophobicContact CB-CE2 4.23Å; I190-Y319 HydrophobicContact CG2-CD1 3.68Å; I190-Y319 HydrophobicContact CG2-CD2 3.68Å; I190-Y319 HydrophobicContact CG2-CE1 3.69Å; I190-Y319 HydrophobicContact CG2-CE2 3.7Å; I190-Y319 HydrophobicContact CG2-CG 3.68Å
191	Q	97.2	Very high	95.8	Very high	50 Å²	50	62.3 Å²	62.3	23%	0.234	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-46.3	177.8	-177.2	70.5	16.1	0	0	112.4	Q187 K188 K189 Q194 N195 E260 Y319	Q187-Q191 WeakPolarHBondContact O-CB 3.49Å; Q187-Q191 PolarHBondContact O-N 3.07Å; K188-Q191 PolarHBondContact O-N 2.86Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 3.49Å; Q191-Q194 PolarHBondContact O-N 2.85Å; Q191-N195 PolarHBondContact NE2-ND2 3.32Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.18Å; Q191-N195 WeakPolarHBondContact O-CB 3.35Å; Q191-N195 PolarHBondContact O-N 3.2Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.78Å; Q191-E260 PolarHBondContact NE2-OE1 3.21Å; Q191-Y319 HydrophobicContact CB-CE2 4.12Å; Q191-Y319 PolarHBondContact OE1-OH 3.26Å
192	E	96.3	Very high	95.7	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-44.4	179.1	-74.1	173	159.9	0	0	111.2	K188 K189 I190 N195	K188-E192 WeakPolarHBondContact CE-OE1 3.47Å; K188-E192 HydrophobicContact CG-CG 4.37Å; K188-E192 IonicContact NZ-OE1 3.53Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 3.18Å; K189-E192 PolarHBondContact O-N 2.6Å; I190-E192 PolarHBondContact O-N 3.45Å; E192-N195 CarbonylContact O-C 3.44Å; E192-N195 PolarHBondContact O-N 3.07Å
193	Q	95.6	Very high	95.8	Very high	39 Å²	39	65.1 Å²	65.1	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-41.5	178.2	-175.1	175.1	-44.1	0	0	112.6	K189 I190 N195 A229 F230 R234 V235	K189-Q193 WeakPolarHBondContact O-CB 3.22Å; K189-Q193 PolarHBondContact O-N 3.45Å; I190-Q193 PolarHBondContact O-N 3.41Å; Q193-N195 PolarHBondContact O-N 2.86Å; Q193-A229 VanDerWaalsContact NE2-C 3.29Å; Q193-A229 PolarHBondContact NE2-O 2.97Å; Q193-F230 VanDerWaalsContact OE1-CD2 3.27Å; Q193-F230 PolarHBondContact OE1-O 2.92Å; Q193-R234 VanDerWaalsContact NE2-N 3.13Å; Q193-R234 PolarHBondContact NE2-O 3.49Å; Q193-V235 WeakPolarHBondContact O-CG2 3.48Å
194	Q	97.6	Very high	95.7	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-15.5	177.3	-68.9	-58.9	-44.4	0	0	112.7	I190 Q191 P196 L226 L236 L258 S259 Y319	I190-Q194 HydrophobicContact CG2-CG 4.22Å; I190-Q194 WeakPolarHBondContact O-CB 3.5Å; I190-Q194 VanDerWaalsContact O-CG 3.3Å; I190-Q194 WeakPolarHBondContact O-CG 3.29Å; I190-Q194 PolarHBondContact O-N 3.29Å; Q191-Q194 PolarHBondContact O-N 2.85Å; Q194-P196 VanDerWaalsContact C-CD 3.43Å; Q194-P196 WeakPolarHBondContact O-CD 3.49Å; Q194-L226 HydrophobicContact CG-CD1 4.42Å; Q194-L236 VanDerWaalsContact NE2-N 3.14Å; Q194-L236 PolarHBondContact OE1-O 2.87Å; Q194-L258 WeakPolarHBondContact CB-O 3.25Å; Q194-S259 WeakPolarHBondContact O-CB 3.2Å; Q194-S259 PolarHBondContact O-OG 2.75Å; Q194-Y319 HydrophobicContact CG-CE1 4.03Å
195	N	97.7	Very high	95.6	Very high	16 Å²	16	58.7 Å²	58.7	9%	0.086	29%	0.288	C	S	.	.	S	Bend	trans	-126.9	61.1	-174.1	-64.5	-83.9	0	0	0	112.4	Q191 E192 Q193 S259 E260 K261	Q191-N195 PolarHBondContact NE2-ND2 3.32Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.18Å; Q191-N195 WeakPolarHBondContact O-CB 3.35Å; Q191-N195 PolarHBondContact O-N 3.2Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.78Å; E192-N195 CarbonylContact O-C 3.44Å; E192-N195 PolarHBondContact O-N 3.07Å; Q193-N195 PolarHBondContact O-N 2.86Å; N195-S259 PolarHBondContact OD1-OG 3.33Å; N195-E260 WeakPolarHBondContact OD1-CA 3.34Å; N195-E260 WeakPolarHBondContact OD1-CB 3.32Å; N195-E260 PolarHBondContact OD1-N 3.24Å; N195-K261 HydrophobicContact CB-CD 4.13Å; N195-K261 HydrophobicContact CB-CG 4.47Å; N195-K261 PolarHBondContact O-NZ 3.14Å
196	P	96.9	Very high	95.5	Very high	29 Å²	29	54.3 Å²	54.3	19%	0.188	27%	0.272	C	S	.	.			trans	-58.8	163.7	-179.4	28.8	-37	0	0	0	111.8	Q194 D198 A202 V235 K261 C262	Q194-P196 VanDerWaalsContact C-CD 3.43Å; Q194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-D198 VanDerWaalsContact C-N 3.31Å; P196-A202 HydrophobicContact CB-CB 4.24Å; P196-A202 HydrophobicContact CG-CB 3.72Å; P196-V235 HydrophobicContact CG-CG2 3.74Å; P196-K261 WeakPolarHBondContact O-CD 3.39Å; P196-K261 PolarHBondContact O-NZ 3.31Å; P196-C262 VanDerWaalsContact CG-SG 3.55Å
197	S	95.2	Very high	95.2	Very high	127 Å²	127	54.6 Å²	54.6	89%	0.888	27%	0.273	S	S	*	.	S	Bend	trans	-67.3	-32.4	176.4	52.5	0	0	0	0	112.8
198	D	94.8	Very high	94.4	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	27%	0.267	S	S	.	.			trans	-138.6	110.1	-179.7	-175.7	-2.6	0	0	0	110.9	P196 K200 M201 A202	P196-D198 VanDerWaalsContact C-N 3.31Å; D198-K200 PolarHBondContact O-N 3.32Å; D198-K200 VanDerWaalsContact OD1-CB 3.31Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 3.41Å; D198-M201 HydrophobicContact CB-CB 4.39Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 2.94Å; D198-M201 WeakPolarHBondContact OD2-CG 3.48Å; D198-A202 PolarHBondContact O-N 3.17Å
199	C	95.4	Very high	93.3	Very high	16 Å²	16	47.9 Å²	47.9	11%	0.108	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23	177.8	-62.6	0	0	0	0	112.5	M201 Y204 C262 D266	C199-M201 VanDerWaalsContact C-N 3.33Å; C199-M201 PolarHBondContact O-N 3.03Å; C199-Y204 VanDerWaalsContact C-OH 3.31Å; C199-Y204 WeakPolarHBondContact CA-OH 3.4Å; C199-Y204 WeakPolarHBondContact CB-OH 3.4Å; C199-Y204 PolarHBondContact O-OH 3.35Å; C199-C262 HydrophobicContact CB-CB 3.85Å; C199-C262 WeakPolarHBondContact CB-SG 3.46Å; C199-C262 WeakPolarHBondContact SG-CA 3.48Å; C199-C262 WeakPolarHBondContact SG-CB 3.25Å; C199-C262 PolarHBondContact SG-N 2.6Å; C199-C262 VanDerWaalsContact SG-N 3.42Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.45Å; C199-D266 HydrophobicContact CB-CB 4.44Å
200	K	91.4	Very high	91.9	Very high	163 Å²	163	47.1 Å²	47.1	71%	0.709	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.8	177.1	-61.8	-179.4	179.2	178.6	0	112.2	D198 R270	D198-K200 PolarHBondContact O-N 3.32Å; D198-K200 VanDerWaalsContact OD1-CB 3.31Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 3.41Å; K200-R270 PolarHBondContact O-NH1 3.29Å
201	M	92	Very high	90	Very high	154 Å²	154	49.5 Å²	49.5	76%	0.759	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-15.4	178.6	-64.6	-63.3	-178	0	0	113.2	D198 C199	D198-M201 HydrophobicContact CB-CB 4.39Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 2.94Å; D198-M201 WeakPolarHBondContact OD2-CG 3.48Å; C199-M201 VanDerWaalsContact C-N 3.33Å; C199-M201 PolarHBondContact O-N 3.03Å
202	A	95.4	Very high	88.3	Confident	14 Å²	14	56.2 Å²	56.2	12%	0.116	29%	0.286	C	S	.	.			trans	-65.1	154.5	178.4	0	0	0	0	0	112.1	P196 D198 Y204 V235 R270	P196-A202 HydrophobicContact CB-CB 4.24Å; P196-A202 HydrophobicContact CG-CB 3.72Å; D198-A202 PolarHBondContact O-N 3.17Å; A202-Y204 HydrophobicContact CB-CE1 4.48Å; A202-Y204 HydrophobicContact CB-CE2 4.22Å; A202-Y204 WeakPolarHBondContact O-CE2 3.08Å; A202-V235 HydrophobicContact CB-CG2 4.06Å; A202-R270 VanDerWaalsContact O-CZ 3.31Å; A202-R270 PolarHBondContact O-NH1 3.17Å; A202-R270 PolarHBondContact O-NH2 2.82Å
203	K	96.4	Very high	87.3	Confident	116 Å²	116	53.2 Å²	53.2	50%	0.504	28%	0.276	S	S	.	.			trans	-104.9	149.9	171.1	-68.2	179.9	-179.8	171.6	0	109.1	R234 V235	K203-R234 HydrophobicContact CB-CG 3.67Å; K203-R234 CarbonylContact O-C 3.54Å; K203-R234 VanDerWaalsContact O-CA 3.32Å; K203-R234 WeakPolarHBondContact O-CA 3.41Å; K203-R234 WeakPolarHBondContact O-CB 3.33Å; K203-V235 PolarHBondContact O-N 3.17Å
204	Y	96.4	Very high	86.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.8	-170.2	-62.3	-81.2	0	0	0	113.6	C199 A202 R234 V235 V237 C262 D266 T267 I274	C199-Y204 VanDerWaalsContact C-OH 3.31Å; C199-Y204 WeakPolarHBondContact CA-OH 3.4Å; C199-Y204 WeakPolarHBondContact CB-OH 3.4Å; C199-Y204 PolarHBondContact O-OH 3.35Å; A202-Y204 HydrophobicContact CB-CE1 4.48Å; A202-Y204 HydrophobicContact CB-CE2 4.22Å; A202-Y204 WeakPolarHBondContact O-CE2 3.08Å; Y204-R234 PolarHBondContact O-NH1 3.39Å; Y204-R234 VanDerWaalsContact O-NH1 3.08Å; Y204-V235 CarbonylContact C-O 3.56Å; Y204-V235 WeakPolarHBondContact CA-O 3.25Å; Y204-V235 HydrophobicContact CD1-CB 3.72Å; Y204-V235 HydrophobicContact CD1-CG1 4.23Å; Y204-V235 HydrophobicContact CE1-CB 3.74Å; Y204-V235 HydrophobicContact CE1-CG1 4.05Å; Y204-V235 HydrophobicContact CE1-CG2 4.24Å; Y204-V237 HydrophobicContact CD1-CB 4.33Å; Y204-V237 HydrophobicContact CD1-CG2 3.49Å; Y204-V237 VanDerWaalsContact CD1-CG2 3.49Å; Y204-V237 HydrophobicContact CE1-CG2 3.7Å; Y204-C262 HydrophobicContact CE1-CB 4.03Å; Y204-D266 HydrophobicContact CE1-CB 4.44Å; Y204-D266 HydrophobicContact CE2-CB 4.3Å; Y204-D266 WeakPolarHBondContact OH-CB 3.14Å; Y204-T267 HydrophobicContact CD1-CG2 3.84Å; Y204-T267 HydrophobicContact CD2-CG2 4.16Å; Y204-T267 HydrophobicContact CE1-CG2 4.33Å; Y204-T267 HydrophobicContact CG-CG2 3.74Å; Y204-I274 PolarHBondContact O-N 3.1Å
205	V	94.3	Very high	85.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.8	150.7	171.5	0	0	0	0	106.8	L228 A229 R234 V235 L236 V237 I274 C276	V205-L228 HydrophobicContact CG1-CD2 4.09Å; V205-L228 HydrophobicContact CG1-CG 4.47Å; V205-L228 HydrophobicContact CG2-CG 4.29Å; V205-A229 HydrophobicContact CB-CB 3.83Å; V205-A229 HydrophobicContact CG2-CB 3.81Å; V205-R234 HydrophobicContact CG2-CB 3.98Å; V205-V235 PolarHBondContact N-O 3.41Å; V205-L236 HydrophobicContact CB-CD1 4.28Å; V205-L236 HydrophobicContact CG1-CD1 3.92Å; V205-L236 WeakPolarHBondContact O-CA 3.23Å; V205-V237 PolarHBondContact O-N 2.95Å; V205-I274 CarbonylContact C-O 3.53Å; V205-I274 WeakPolarHBondContact CA-O 3.21Å; V205-I274 HydrophobicContact CG2-CB 4.06Å; V205-I274 HydrophobicContact CG2-CG2 4.31Å; V205-C276 HydrophobicContact CG1-CB 3.97Å
206	T	92.3	Very high	85.3	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.4	177.4	62.6	0	0	0	0	110.9	V237 K239 T267 N273 I274 C276	T206-V237 CarbonylContact C-O 3.57Å; T206-V237 VanDerWaalsContact CA-O 3.3Å; T206-V237 WeakPolarHBondContact CA-O 3.49Å; T206-K239 VanDerWaalsContact OG1-CE 3.28Å; T206-K239 WeakPolarHBondContact OG1-CE 3.32Å; T206-T267 HydrophobicContact CG2-CG2 3.93Å; T206-N273 HydrophobicContact CG2-CB 4.11Å; T206-I274 PolarHBondContact N-O 1.97Å; T206-C276 PolarHBondContact O-N 2.76Å
207	F	88.8	Confident	84.7	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124	175.6	179.1	-142.5	0	0	0	110.7	Y209 Q221 L222 C225 L236 V237 V238 K239 C276	F207-Y209 HydrophobicContact CD1-CD1 4.29Å; F207-Y209 AromaticContact CD1-CE1 3.86Å; F207-Y209 HydrophobicContact CD1-CE1 3.86Å; F207-Y209 HydrophobicContact CD1-CE2 4.16Å; F207-Y209 AromaticContact CD1-CZ 3.77Å; F207-Y209 AromaticContact CE1-CD1 3.5Å; F207-Y209 HydrophobicContact CE1-CD1 3.5Å; F207-Y209 VanDerWaalsContact CE1-CD1 3.5Å; F207-Y209 HydrophobicContact CE1-CD2 4.5Å; F207-Y209 AromaticContact CE1-CE1 3.03Å; F207-Y209 HydrophobicContact CE1-CE1 3.03Å; F207-Y209 HydrophobicContact CE1-CE2 4.15Å; F207-Y209 HydrophobicContact CE1-CG 4.2Å; F207-Y209 AromaticContact CE1-CZ 3.41Å; F207-Y209 VanDerWaalsContact CE1-CZ 3.41Å; F207-Y209 AromaticContact CZ-CD1 3.65Å; F207-Y209 HydrophobicContact CZ-CD1 3.65Å; F207-Y209 AromaticContact CZ-CE1 3.62Å; F207-Y209 HydrophobicContact CZ-CE1 3.62Å; F207-Y209 HydrophobicContact CZ-CG 4.42Å; F207-Q221 HydrophobicContact CE1-CG 4.38Å; F207-Q221 HydrophobicContact CE2-CG 3.66Å; F207-Q221 HydrophobicContact CZ-CB 4.21Å; F207-Q221 HydrophobicContact CZ-CG 3.43Å; F207-Q221 VanDerWaalsContact CZ-CG 3.43Å; F207-L222 HydrophobicContact CD1-CD1 3.79Å; F207-L222 HydrophobicContact CE1-CB 4.1Å; F207-L222 HydrophobicContact CE1-CD1 4.06Å; F207-C225 HydrophobicContact CB-CB 4.36Å; F207-C225 VanDerWaalsContact CD2-SG 3.53Å; F207-C225 HydrophobicContact CG-CB 4.36Å; F207-C225 VanDerWaalsContact CG-SG 3.58Å; F207-L236 HydrophobicContact CB-CD1 4.21Å; F207-V237 PolarHBondContact N-O 3.25Å; F207-V238 CarbonylContact O-C 3.42Å; F207-V238 WeakPolarHBondContact O-CA 2.95Å; F207-K239 PolarHBondContact O-N 2.92Å; F207-C276 HydrophobicContact CB-CB 4.21Å; F207-C276 HydrophobicContact CD2-CB 4.21Å
208	D	81.6	Confident	84.2	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	25%	0.249	C	C	.	.			trans	-101.1	129.2	172.6	-164.7	-16.9	0	0	0	108.6	T210 K239 R242 Y278	D208-T210 VanDerWaalsContact C-N 3.29Å; D208-T210 PolarHBondContact O-N 3.24Å; D208-T210 VanDerWaalsContact O-N 3.12Å; D208-K239 HydrophobicContact CB-CB 4.48Å; D208-K239 HydrophobicContact CB-CD 3.99Å; D208-K239 HydrophobicContact CB-CG 4.45Å; D208-R242 IonicContact OD1-NE 3.35Å; D208-R242 IonicContact OD2-CZ 3.13Å; D208-R242 IonicContact OD2-NE 3.06Å; D208-R242 IonicContact OD2-NH2 2.71Å; D208-R242 PolarHBondContact OD2-NH2 3.24Å; D208-Y278 HydrophobicContact CB-CE1 4.26Å; D208-Y278 VanDerWaalsContact CB-OH 3.3Å; D208-Y278 WeakPolarHBondContact CB-OH 3.47Å; D208-Y278 WeakPolarHBondContact O-CE1 3.3Å
209	Y	72.6	Confident	84	Confident	15 Å²	15	44.7 Å²	44.7	6%	0.059	23%	0.232	C	C	.	.			trans	-87.3	69.9	176.1	-73.5	-74.1	0	0	0	110.4	F207 N211 L222 V238 D245 F247 H248	F207-Y209 HydrophobicContact CD1-CD1 4.29Å; F207-Y209 AromaticContact CD1-CE1 3.86Å; F207-Y209 HydrophobicContact CD1-CE1 3.86Å; F207-Y209 HydrophobicContact CD1-CE2 4.16Å; F207-Y209 AromaticContact CD1-CZ 3.77Å; F207-Y209 AromaticContact CE1-CD1 3.5Å; F207-Y209 HydrophobicContact CE1-CD1 3.5Å; F207-Y209 VanDerWaalsContact CE1-CD1 3.5Å; F207-Y209 HydrophobicContact CE1-CD2 4.5Å; F207-Y209 AromaticContact CE1-CE1 3.03Å; F207-Y209 HydrophobicContact CE1-CE1 3.03Å; F207-Y209 HydrophobicContact CE1-CE2 4.15Å; F207-Y209 HydrophobicContact CE1-CG 4.2Å; F207-Y209 AromaticContact CE1-CZ 3.41Å; F207-Y209 VanDerWaalsContact CE1-CZ 3.41Å; F207-Y209 AromaticContact CZ-CD1 3.65Å; F207-Y209 HydrophobicContact CZ-CD1 3.65Å; F207-Y209 AromaticContact CZ-CE1 3.62Å; F207-Y209 HydrophobicContact CZ-CE1 3.62Å; F207-Y209 HydrophobicContact CZ-CG 4.42Å; Y209-N211 VanDerWaalsContact C-N 3.3Å; Y209-N211 PolarHBondContact O-N 3.23Å; Y209-N211 VanDerWaalsContact O-N 3.1Å; Y209-L222 WeakPolarHBondContact OH-CD1 3.37Å; Y209-L222 VanDerWaalsContact OH-CD2 3.27Å; Y209-L222 WeakPolarHBondContact OH-CD2 3.37Å; Y209-V238 HydrophobicContact CD2-CG1 3.42Å; Y209-V238 VanDerWaalsContact CD2-CG1 3.42Å; Y209-V238 HydrophobicContact CE2-CB 4.13Å; Y209-V238 HydrophobicContact CE2-CG1 3.27Å; Y209-V238 HydrophobicContact CE2-CG2 3.7Å; Y209-D245 WeakPolarHBondContact CB-OD2 3.29Å; Y209-F247 AromaticContact CD1-CD1 3.86Å; Y209-F247 HydrophobicContact CD1-CD1 3.86Å; Y209-F247 HydrophobicContact CD1-CE1 4.23Å; Y209-F247 AromaticContact CE1-CD1 3.41Å; Y209-F247 HydrophobicContact CE1-CD1 3.41Å; Y209-F247 VanDerWaalsContact CE1-CD1 3.41Å; Y209-F247 AromaticContact CE1-CE1 3.34Å; Y209-F247 HydrophobicContact CE1-CE1 3.34Å; Y209-F247 AromaticContact CZ-CD1 3.9Å; Y209-F247 AromaticContact CZ-CE1 3.64Å; Y209-H248 HydrophobicContact CD2-CB 3.78Å; Y209-H248 AromaticContact CD2-CG 3.89Å; Y209-H248 AromaticContact CD2-ND1 3.99Å; Y209-H248 HydrophobicContact CE2-CB 4.2Å; Y209-H248 HydrophobicContact CG-CB 4.39Å
210	T	65.2	Low	83.6	Confident	45 Å²	45	45 Å²	45	28%	0.276	23%	0.231	S	C	.	.			trans	-81.1	87.2	162.1	59.6	0	0	0	0	107.7	D208 F212 Y278	D208-T210 VanDerWaalsContact C-N 3.29Å; D208-T210 PolarHBondContact O-N 3.24Å; D208-T210 VanDerWaalsContact O-N 3.12Å; T210-F212 VanDerWaalsContact O-CD2 3.28Å; T210-F212 WeakPolarHBondContact O-CD2 3.43Å; T210-F212 PolarHBondContact O-N 3.44Å; T210-Y278 HydrophobicContact CG2-CE1 4.46Å; T210-Y278 WeakPolarHBondContact OG1-CD1 3.4Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.47Å
211	N	56.7	Low	83.3	Confident	51 Å²	51	38.2 Å²	38.2	27%	0.273	20%	0.202	S	C	.	.			trans	-57.9	123.2	-174.4	-96.2	-30.5	0	0	0	112.9	Y209 S218 D245	Y209-N211 VanDerWaalsContact C-N 3.3Å; Y209-N211 PolarHBondContact O-N 3.23Å; Y209-N211 VanDerWaalsContact O-N 3.1Å; N211-S218 PolarHBondContact OD1-OG 3.25Å; N211-D245 PolarHBondContact ND2-OD1 2.95Å
212	F	62	Low	83.2	Confident	191 Å²	191	30.9 Å²	30.9	84%	0.838	17%	0.166	S	C	*	.			trans	-121.7	4.8	165.2	-66	-74.2	0	0	0	113.4	T210	T210-F212 VanDerWaalsContact O-CD2 3.28Å; T210-F212 WeakPolarHBondContact O-CD2 3.43Å; T210-F212 PolarHBondContact O-N 3.44Å
213	C	75.6	Confident	83	Confident	47 Å²	47	30.6 Å²	30.6	32%	0.318	16%	0.162	S	C	.	.	S	Bend	trans	-149.6	171.4	-178.3	63.4	0	0	0	0	113.5	C217	C213-C217 HydrophobicContact CB-CB 3.58Å; C213-C217 WeakPolarHBondContact CB-SG 3.37Å; C213-C217 WeakPolarHBondContact SG-CB 3.16Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 3.22Å
214	G	77.1	Confident	82.6	Confident	34 Å²	34	25.7 Å²	25.7	35%	0.351	14%	0.141	S	C	.	.			trans	-78.8	170.8	179.9	0	0	0	0	0	114.3	G216 C217 S218	G214-G216 PolarHBondContact O-N 2.93Å; G214-G216 VanDerWaalsContact O-N 3.13Å; G214-C217 WeakPolarHBondContact O-CB 3.11Å; G214-C217 PolarHBondContact O-N 3.33Å; G214-S218 PolarHBondContact O-N 2.9Å; G214-S218 VanDerWaalsContact O-N 3.16Å
215	F	85.9	Confident	82.3	Confident	18 Å²	18	25.7 Å²	25.7	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-36.3	-58.3	-173.8	170.8	-115.7	0	0	0	115.7	C217 S218 M219 F247 M425 A428 V429 V432 I449 L452	F215-C217 VanDerWaalsContact C-N 3.27Å; F215-C217 PolarHBondContact O-N 3.35Å; F215-S218 PolarHBondContact O-N 3.18Å; F215-S218 VanDerWaalsContact O-N 3.14Å; F215-M219 HydrophobicContact CD2-CG 3.81Å; F215-M219 HydrophobicContact CE1-CG 4.28Å; F215-M219 HydrophobicContact CE2-CG 3.26Å; F215-M219 HydrophobicContact CE2-SD 3.88Å; F215-M219 HydrophobicContact CZ-CG 3.52Å; F215-M219 HydrophobicContact CZ-SD 4.27Å; F215-M219 PolarHBondContact O-N 2.66Å; F215-F247 AromaticContact CD2-CD2 3.9Å; F215-F247 HydrophobicContact CD2-CD2 3.9Å; F215-F247 AromaticContact CD2-CE2 3.58Å; F215-F247 HydrophobicContact CD2-CE2 3.58Å; F215-F247 HydrophobicContact CE2-CD2 4.43Å; F215-F247 AromaticContact CE2-CE2 3.71Å; F215-F247 HydrophobicContact CE2-CE2 3.71Å; F215-M425 HydrophobicContact CB-CE 4.38Å; F215-M425 HydrophobicContact CB-SD 3.58Å; F215-M425 VanDerWaalsContact CB-SD 3.58Å; F215-M425 HydrophobicContact CD2-SD 3.39Å; F215-M425 WeakPolarHBondContact CD2-SD 3.32Å; F215-M425 HydrophobicContact CE2-SD 4.34Å; F215-M425 HydrophobicContact CG-SD 3.71Å; F215-A428 HydrophobicContact CD1-CB 4.2Å; F215-V429 HydrophobicContact CD1-CG2 4.48Å; F215-V429 HydrophobicContact CD2-CG2 4.14Å; F215-V429 HydrophobicContact CE1-CG2 3.83Å; F215-V429 HydrophobicContact CE2-CG2 3.41Å; F215-V429 VanDerWaalsContact CE2-CG2 3.41Å; F215-V429 HydrophobicContact CZ-CB 4.2Å; F215-V429 HydrophobicContact CZ-CG2 3.25Å; F215-V432 HydrophobicContact CE1-CG2 4.11Å; F215-I449 HydrophobicContact CD1-CD1 3.71Å; F215-I449 HydrophobicContact CE1-CD1 4.39Å; F215-L452 HydrophobicContact CE1-CD2 3.82Å; F215-L452 HydrophobicContact CZ-CD2 3.99Å
216	G	86.1	Confident	82.2	Confident	3 Å²	3	25.7 Å²	25.7	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-38.1	-175.7	0	0	0	0	0	112.7	G214 M219 H220	G214-G216 PolarHBondContact O-N 2.93Å; G214-G216 VanDerWaalsContact O-N 3.13Å; G216-M219 PolarHBondContact O-N 3.49Å; G216-H220 PolarHBondContact O-N 2.77Å; G216-H220 PolarHBondContact O-ND1 3.33Å; G216-H220 VanDerWaalsContact O-ND1 3.08Å
217	C	83.8	Confident	82.1	Confident	40 Å²	40	25.9 Å²	25.9	27%	0.27	14%	0.142	S	C	.	.	H	α-helix	trans	-69.9	-42.5	176.4	163.9	0	0	0	0	111.7	C213 G214 F215 M219 H220 Q221	C213-C217 HydrophobicContact CB-CB 3.58Å; C213-C217 WeakPolarHBondContact CB-SG 3.37Å; C213-C217 WeakPolarHBondContact SG-CB 3.16Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 3.22Å; G214-C217 WeakPolarHBondContact O-CB 3.11Å; G214-C217 PolarHBondContact O-N 3.33Å; F215-C217 VanDerWaalsContact C-N 3.27Å; F215-C217 PolarHBondContact O-N 3.35Å; C217-M219 VanDerWaalsContact C-N 3.29Å; C217-M219 PolarHBondContact O-N 2.97Å; C217-H220 PolarHBondContact O-N 3.2Å; C217-Q221 WeakPolarHBondContact O-CB 3.33Å; C217-Q221 PolarHBondContact O-N 3.29Å
218	S	85	Confident	82	Confident	6 Å²	6	26.4 Å²	26.4	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-37.2	174.8	-52.2	0	0	0	0	112.1	N211 G214 F215 Q221 L222	N211-S218 PolarHBondContact OD1-OG 3.25Å; G214-S218 PolarHBondContact O-N 2.9Å; G214-S218 VanDerWaalsContact O-N 3.16Å; F215-S218 PolarHBondContact O-N 3.18Å; F215-S218 VanDerWaalsContact O-N 3.14Å; S218-Q221 PolarHBondContact O-N 3.12Å; S218-L222 PolarHBondContact O-N 3.36Å
219	M	89.1	Confident	82.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-49.2	173.5	-82.1	-62.5	-50.9	0	0	112.3	F215 G216 C217 Q221 L222 M223 F247 I320 L321 L452	F215-M219 HydrophobicContact CD2-CG 3.81Å; F215-M219 HydrophobicContact CE1-CG 4.28Å; F215-M219 HydrophobicContact CE2-CG 3.26Å; F215-M219 HydrophobicContact CE2-SD 3.88Å; F215-M219 HydrophobicContact CZ-CG 3.52Å; F215-M219 HydrophobicContact CZ-SD 4.27Å; F215-M219 PolarHBondContact O-N 2.66Å; G216-M219 PolarHBondContact O-N 3.49Å; C217-M219 VanDerWaalsContact C-N 3.29Å; C217-M219 PolarHBondContact O-N 2.97Å; M219-Q221 VanDerWaalsContact C-N 3.27Å; M219-Q221 PolarHBondContact O-N 3.29Å; M219-L222 PolarHBondContact O-N 3.06Å; M219-L222 VanDerWaalsContact O-N 3.15Å; M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.39Å; M219-M223 PolarHBondContact O-N 2.89Å; M219-F247 HydrophobicContact CG-CE2 4.17Å; M219-F247 HydrophobicContact CG-CZ 4.02Å; M219-F247 HydrophobicContact SD-CE2 3.99Å; M219-F247 HydrophobicContact SD-CZ 3.59Å; M219-F247 VanDerWaalsContact SD-CZ 3.59Å; M219-I320 HydrophobicContact CE-CB 4.22Å; M219-I320 HydrophobicContact CE-CG2 3.65Å; M219-I320 HydrophobicContact SD-CG2 4.08Å; M219-L321 HydrophobicContact CE-CD1 3.85Å; M219-L321 HydrophobicContact CE-CD2 3.91Å; M219-L321 HydrophobicContact CE-CG 3.67Å; M219-L321 HydrophobicContact SD-CD2 3.92Å; M219-L321 HydrophobicContact SD-CG 4.36Å; M219-L452 HydrophobicContact CB-CD2 3.93Å; M219-L452 HydrophobicContact CG-CD2 3.95Å
220	H	88	Confident	83.4	Confident	23 Å²	23	25.3 Å²	25.3	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-36.4	177	-75.7	127.7	0	0	0	112.4	G216 C217 M223 F224 N448 E455	G216-H220 PolarHBondContact O-N 2.77Å; G216-H220 PolarHBondContact O-ND1 3.33Å; G216-H220 VanDerWaalsContact O-ND1 3.08Å; C217-H220 PolarHBondContact O-N 3.2Å; H220-M223 PolarHBondContact O-N 2.76Å; H220-F224 WeakPolarHBondContact O-CB 3.37Å; H220-F224 PolarHBondContact O-N 2.92Å; H220-N448 PolarHBondContact CE1-O 2.67Å; H220-N448 PolarHBondContact ND1-OD1 2.83Å; H220-E455 IonicContact CD2-OE1 3.94Å; H220-E455 IonicContact CD2-OE2 3.61Å; H220-E455 PolarHBondContact CD2-OE2 2.67Å; H220-E455 IonicContact CE1-OE1 2.82Å; H220-E455 IonicContact CE1-OE2 3.22Å; H220-E455 VanDerWaalsContact NE2-CD 3.26Å; H220-E455 IonicContact NE2-OE1 3.5Å; H220-E455 PolarHBondContact NE2-OE1 2.9Å; H220-E455 IonicContact NE2-OE2 2.72Å; H220-E455 PolarHBondContact NE2-OE2 3.45Å
221	Q	85.3	Confident	84.4	Confident	20 Å²	20	24.1 Å²	24.1	9%	0.093	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-44.3	173	-176.7	61	37.9	0	0	111.8	F207 C217 S218 M219 M223 F224 C225 P277 Y278	F207-Q221 HydrophobicContact CE1-CG 4.38Å; F207-Q221 HydrophobicContact CE2-CG 3.66Å; F207-Q221 HydrophobicContact CZ-CB 4.21Å; F207-Q221 HydrophobicContact CZ-CG 3.43Å; F207-Q221 VanDerWaalsContact CZ-CG 3.43Å; C217-Q221 WeakPolarHBondContact O-CB 3.33Å; C217-Q221 PolarHBondContact O-N 3.29Å; S218-Q221 PolarHBondContact O-N 3.12Å; M219-Q221 VanDerWaalsContact C-N 3.27Å; M219-Q221 PolarHBondContact O-N 3.29Å; Q221-M223 PolarHBondContact O-N 3.13Å; Q221-F224 WeakPolarHBondContact O-CB 3.18Å; Q221-F224 PolarHBondContact O-N 3.39Å; Q221-C225 PolarHBondContact O-N 2.79Å; Q221-C225 PolarHBondContact O-SG 3.32Å; Q221-P277 PolarHBondContact NE2-O 2.77Å; Q221-Y278 PolarHBondContact OE1-O 3.27Å
222	L	89.6	Confident	85.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-41.5	176.1	178.8	62.6	0	0	0	111.8	F207 Y209 S218 M219 F224 C225 L226 L236 V238 L251 L258 I320	F207-L222 HydrophobicContact CD1-CD1 3.79Å; F207-L222 HydrophobicContact CE1-CB 4.1Å; F207-L222 HydrophobicContact CE1-CD1 4.06Å; Y209-L222 WeakPolarHBondContact OH-CD1 3.37Å; Y209-L222 VanDerWaalsContact OH-CD2 3.27Å; Y209-L222 WeakPolarHBondContact OH-CD2 3.37Å; S218-L222 PolarHBondContact O-N 3.36Å; M219-L222 PolarHBondContact O-N 3.06Å; M219-L222 VanDerWaalsContact O-N 3.15Å; L222-F224 VanDerWaalsContact C-N 3.31Å; L222-F224 PolarHBondContact O-N 3.1Å; L222-C225 PolarHBondContact O-N 3.02Å; L222-L226 WeakPolarHBondContact O-CB 3.38Å; L222-L226 PolarHBondContact O-N 2.71Å; L222-L236 HydrophobicContact CD1-CD2 3.74Å; L222-V238 HydrophobicContact CD1-CG2 4.42Å; L222-L251 HydrophobicContact CD2-CD2 3.87Å; L222-L258 HydrophobicContact CD1-CD1 4.01Å; L222-I320 HydrophobicContact CB-CD1 4.36Å; L222-I320 HydrophobicContact CD2-CB 4.29Å; L222-I320 HydrophobicContact CD2-CD1 3.82Å; L222-I320 HydrophobicContact CD2-CG1 3.93Å; L222-I320 HydrophobicContact CD2-CG2 3.38Å; L222-I320 HydrophobicContact CG-CD1 3.73Å; L222-I320 HydrophobicContact CG-CG1 4.25Å; L222-I320 HydrophobicContact CG-CG2 4.47Å
223	M	91.3	Very high	87.3	Confident	8 Å²	8	21.2 Å²	21.2	4%	0.039	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-43.4	174.6	-69.3	159.4	59.7	0	0	111.1	M219 H220 Q221 L226 Q227 A313 L316 A317 I320 L452 E455	M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.39Å; M219-M223 PolarHBondContact O-N 2.89Å; H220-M223 PolarHBondContact O-N 2.76Å; Q221-M223 PolarHBondContact O-N 3.13Å; M223-L226 PolarHBondContact O-N 2.85Å; M223-Q227 PolarHBondContact O-N 3.06Å; M223-A313 HydrophobicContact CE-CB 3.82Å; M223-A313 WeakPolarHBondContact CE-O 3.26Å; M223-L316 HydrophobicContact CB-CB 4.33Å; M223-L316 HydrophobicContact CG-CB 4.27Å; M223-A317 HydrophobicContact CE-CB 4.11Å; M223-A317 HydrophobicContact CG-CB 4.49Å; M223-A317 HydrophobicContact SD-CB 3.92Å; M223-I320 HydrophobicContact CB-CD1 4.31Å; M223-I320 HydrophobicContact CG-CD1 3.62Å; M223-L452 HydrophobicContact SD-CD1 3.96Å; M223-E455 WeakPolarHBondContact CE-OE2 3.36Å
224	F	87.3	Confident	88.2	Confident	14 Å²	14	20.6 Å²	20.6	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-46.2	174.2	170.8	-96	0	0	0	111.8	H220 Q221 L222 L226 Q227 L228 P277 L283	H220-F224 WeakPolarHBondContact O-CB 3.37Å; H220-F224 PolarHBondContact O-N 2.92Å; Q221-F224 WeakPolarHBondContact O-CB 3.18Å; Q221-F224 PolarHBondContact O-N 3.39Å; L222-F224 VanDerWaalsContact C-N 3.31Å; L222-F224 PolarHBondContact O-N 3.1Å; F224-L226 VanDerWaalsContact C-N 3.29Å; F224-L226 PolarHBondContact O-N 2.71Å; F224-Q227 WeakPolarHBondContact O-CB 3.03Å; F224-Q227 PolarHBondContact O-N 3.05Å; F224-L228 HydrophobicContact CE1-CD2 4.42Å; F224-L228 WeakPolarHBondContact O-CB 3.26Å; F224-L228 PolarHBondContact O-N 3.36Å; F224-P277 HydrophobicContact CE1-CG 3.8Å; F224-P277 HydrophobicContact CZ-CG 4.3Å; F224-L283 HydrophobicContact CE1-CD1 3.73Å; F224-L283 HydrophobicContact CE2-CD1 3.72Å; F224-L283 HydrophobicContact CZ-CD1 3.14Å; F224-L283 HydrophobicContact CZ-CD2 4.36Å; F224-L283 HydrophobicContact CZ-CG 4.36Å
225	C	90	Very high	89.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-35	176.2	-59.4	0	0	0	0	112.6	F207 Q221 L222 L228 A229 L236 C276	F207-C225 HydrophobicContact CB-CB 4.36Å; F207-C225 VanDerWaalsContact CD2-SG 3.53Å; F207-C225 HydrophobicContact CG-CB 4.36Å; F207-C225 VanDerWaalsContact CG-SG 3.58Å; Q221-C225 PolarHBondContact O-N 2.79Å; Q221-C225 PolarHBondContact O-SG 3.32Å; L222-C225 PolarHBondContact O-N 3.02Å; C225-L228 PolarHBondContact O-N 3.46Å; C225-A229 WeakPolarHBondContact O-CB 3.45Å; C225-A229 PolarHBondContact O-N 2.9Å; C225-L236 HydrophobicContact CB-CD1 3.81Å; C225-L236 HydrophobicContact CB-CD2 4.25Å; C225-C276 WeakPolarHBondContact CA-SG 3.21Å; C225-C276 HydrophobicContact CB-CB 3.79Å; C225-C276 WeakPolarHBondContact CB-SG 3.13Å; C225-C276 WeakPolarHBondContact SG-CB 3.49Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.08Å
226	L	93.1	Very high	89.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-41.3	176.3	-178.6	60.2	0	0	0	111	I190 Q194 L222 M223 F224 A229 F230 L236 L316 Y319 I320	I190-L226 HydrophobicContact CG2-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD2 4.48Å; Q194-L226 HydrophobicContact CG-CD1 4.42Å; L222-L226 WeakPolarHBondContact O-CB 3.38Å; L222-L226 PolarHBondContact O-N 2.71Å; M223-L226 PolarHBondContact O-N 2.85Å; F224-L226 VanDerWaalsContact C-N 3.29Å; F224-L226 PolarHBondContact O-N 2.71Å; L226-A229 PolarHBondContact O-N 3.04Å; L226-F230 WeakPolarHBondContact O-CB 3.33Å; L226-F230 PolarHBondContact O-N 3.03Å; L226-L236 HydrophobicContact CB-CD2 3.79Å; L226-L236 HydrophobicContact CD1-CB 4.25Å; L226-L236 HydrophobicContact CD1-CD2 4.08Å; L226-L316 HydrophobicContact CD2-CB 4.35Å; L226-L316 HydrophobicContact CD2-CD2 4.01Å; L226-L316 HydrophobicContact CG-CD2 4.12Å; L226-Y319 HydrophobicContact CD2-CD1 3.92Å; L226-I320 HydrophobicContact CD2-CD1 4.07Å; L226-I320 HydrophobicContact CD2-CG1 3.91Å
227	Q	90.1	Very high	90.1	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-53	171	-178.4	179	-19.4	0	0	110.3	M223 F224 A229 F230 E231 L289 F312 L316	M223-Q227 PolarHBondContact O-N 3.06Å; F224-Q227 WeakPolarHBondContact O-CB 3.03Å; F224-Q227 PolarHBondContact O-N 3.05Å; Q227-A229 PolarHBondContact O-N 2.74Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 VanDerWaalsContact O-CA 3.29Å; Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 WeakPolarHBondContact O-CB 3.22Å; Q227-F230 PolarHBondContact O-N 2.63Å; Q227-E231 HydrophobicContact CG-CG 4.02Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.49Å; Q227-E231 PolarHBondContact NE2-OE1 3.35Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 2.93Å; Q227-L289 PolarHBondContact NE2-O 3.35Å; Q227-F312 HydrophobicContact CB-CE1 4.47Å; Q227-F312 HydrophobicContact CG-CE1 3.94Å; Q227-L316 HydrophobicContact CB-CD1 3.86Å
228	L	87.1	Confident	90.4	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.084	9%	0.085	C	C	.	.	H	α-helix	trans	-53.1	-42.4	178.5	177.8	66.7	0	0	0	112.3	V205 F224 C225 N232 I274 C276 W288	V205-L228 HydrophobicContact CG1-CD2 4.09Å; V205-L228 HydrophobicContact CG1-CG 4.47Å; V205-L228 HydrophobicContact CG2-CG 4.29Å; F224-L228 HydrophobicContact CE1-CD2 4.42Å; F224-L228 WeakPolarHBondContact O-CB 3.26Å; F224-L228 PolarHBondContact O-N 3.36Å; C225-L228 PolarHBondContact O-N 3.46Å; L228-N232 PolarHBondContact O-N 3.21Å; L228-N232 PolarHBondContact O-ND2 2.84Å; L228-I274 HydrophobicContact CD2-CG2 4.21Å; L228-C276 HydrophobicContact CD2-CB 4.3Å; L228-W288 HydrophobicContact CD1-CD2 4.5Å; L228-W288 HydrophobicContact CD1-CE3 3.46Å; L228-W288 VanDerWaalsContact CD1-CE3 3.46Å; L228-W288 HydrophobicContact CD1-CZ3 3.54Å
229	A	92.3	Very high	90.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-46.1	174.4	0	0	0	0	0	111.3	Q193 V205 C225 L226 Q227 E231 N232 E233 R234 L236	Q193-A229 VanDerWaalsContact NE2-C 3.29Å; Q193-A229 PolarHBondContact NE2-O 2.97Å; V205-A229 HydrophobicContact CB-CB 3.83Å; V205-A229 HydrophobicContact CG2-CB 3.81Å; C225-A229 WeakPolarHBondContact O-CB 3.45Å; C225-A229 PolarHBondContact O-N 2.9Å; L226-A229 PolarHBondContact O-N 3.04Å; Q227-A229 PolarHBondContact O-N 2.74Å; A229-E231 PolarHBondContact O-N 2.65Å; A229-N232 PolarHBondContact O-N 3.26Å; A229-E233 PolarHBondContact O-N 2.91Å; A229-R234 CarbonylContact C-O 3.48Å; A229-R234 WeakPolarHBondContact CB-O 3.4Å; A229-R234 PolarHBondContact O-N 3.41Å; A229-L236 HydrophobicContact CB-CB 3.77Å
230	F	91.2	Very high	89.6	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-51.8	-52.2	174.3	-157.2	-124.5	0	0	0	111.1	L186 K189 I190 Q193 L226 Q227 N232 E233 P294 F312 W555	L186-F230 HydrophobicContact CD1-CE1 3.64Å; L186-F230 HydrophobicContact CD1-CZ 3.71Å; K189-F230 HydrophobicContact CB-CE2 3.98Å; K189-F230 HydrophobicContact CB-CZ 3.88Å; K189-F230 HydrophobicContact CD-CZ 4.24Å; I190-F230 HydrophobicContact CG1-CD2 4.05Å; I190-F230 HydrophobicContact CG1-CE2 3.85Å; I190-F230 HydrophobicContact CG1-CZ 4.23Å; Q193-F230 VanDerWaalsContact OE1-CD2 3.27Å; Q193-F230 PolarHBondContact OE1-O 2.92Å; L226-F230 WeakPolarHBondContact O-CB 3.33Å; L226-F230 PolarHBondContact O-N 3.03Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 VanDerWaalsContact O-CA 3.29Å; Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 WeakPolarHBondContact O-CB 3.22Å; Q227-F230 PolarHBondContact O-N 2.63Å; F230-N232 PolarHBondContact O-N 2.55Å; F230-E233 PolarHBondContact O-N 3.02Å; F230-E233 VanDerWaalsContact O-N 3.17Å; F230-P294 HydrophobicContact CD1-CG 4.48Å; F230-P294 HydrophobicContact CE1-CG 3.74Å; F230-F312 HydrophobicContact CD1-CZ 4.2Å; F230-W555 HydrophobicContact CB-CH2 4.22Å; F230-W555 HydrophobicContact CB-CZ2 4.02Å; F230-W555 AromaticContact CD1-CH2 3.29Å; F230-W555 HydrophobicContact CD1-CH2 3.29Å; F230-W555 AromaticContact CD1-CZ2 3.3Å; F230-W555 HydrophobicContact CD1-CZ2 3.3Å; F230-W555 HydrophobicContact CD1-CZ3 4.46Å; F230-W555 HydrophobicContact CD2-CH2 4.38Å; F230-W555 AromaticContact CE1-CH2 3.6Å; F230-W555 HydrophobicContact CE1-CH2 3.6Å; F230-W555 AromaticContact CE1-CZ2 3.95Å; F230-W555 HydrophobicContact CE1-CZ2 3.95Å; F230-W555 HydrophobicContact CE1-CZ3 4.42Å; F230-W555 AromaticContact CG-CH2 3.72Å; F230-W555 HydrophobicContact CG-CH2 3.72Å; F230-W555 AromaticContact CG-CZ2 3.86Å; F230-W555 HydrophobicContact CG-CZ2 3.86Å; F230-W555 HydrophobicContact CZ-CH2 4.26Å; F230-W555 WeakPolarHBondContact O-CH2 3.47Å
231	E	86.3	Confident	88.6	Confident	21 Å²	21	27.7 Å²	27.7	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-71.7	-12.5	-175.2	-15.9	-163.4	122.1	0	0	115.5	Q227 A229 W288 W555	Q227-E231 HydrophobicContact CG-CG 4.02Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.49Å; Q227-E231 PolarHBondContact NE2-OE1 3.35Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 2.93Å; A229-E231 PolarHBondContact O-N 2.65Å; E231-W288 HydrophobicContact CB-CE3 4.29Å; E231-W288 HydrophobicContact CB-CH2 3.76Å; E231-W288 HydrophobicContact CB-CZ3 3.45Å; E231-W288 VanDerWaalsContact CB-CZ3 3.45Å; E231-W288 HydrophobicContact CG-CE3 4.22Å; E231-W288 HydrophobicContact CG-CZ3 3.79Å; E231-W288 VanDerWaalsContact OE2-CZ3 3.24Å; E231-W288 WeakPolarHBondContact OE2-CZ3 3.37Å; E231-W555 HydrophobicContact CB-CD2 4.27Å; E231-W555 HydrophobicContact CB-CH2 4.43Å; E231-W555 HydrophobicContact CB-CZ2 3.48Å; E231-W555 VanDerWaalsContact CB-CZ2 3.48Å; E231-W555 HydrophobicContact CG-CZ2 3.69Å; E231-W555 PolarHBondContact OE1-NE1 3.32Å
232	N	88	Confident	87.7	Confident	48 Å²	48	34 Å²	34	26%	0.257	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	12.4	176.8	-73.2	-81.3	0	0	0	112.8	L228 A229 F230 R234 I274 W288	L228-N232 PolarHBondContact O-N 3.21Å; L228-N232 PolarHBondContact O-ND2 2.84Å; A229-N232 PolarHBondContact O-N 3.26Å; F230-N232 PolarHBondContact O-N 2.55Å; N232-R234 HydrophobicContact CB-CB 4.44Å; N232-R234 HydrophobicContact CB-CG 4.07Å; N232-R234 WeakPolarHBondContact O-CG 3.05Å; N232-R234 PolarHBondContact O-N 2.94Å; N232-I274 HydrophobicContact CB-CD1 4.28Å; N232-W288 VanDerWaalsContact CG-CH2 3.43Å; N232-W288 WeakPolarHBondContact ND2-CH2 3.01Å; N232-W288 WeakPolarHBondContact ND2-CZ3 3.42Å; N232-W288 WeakPolarHBondContact OD1-CH2 3.37Å
233	E	91.2	Very high	86.3	Confident	133 Å²	133	38.2 Å²	38.2	62%	0.621	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	40	-174.4	-56.2	-174.2	141.8	0	0	112.7	A229 F230 N557	A229-E233 PolarHBondContact O-N 2.91Å; F230-E233 PolarHBondContact O-N 3.02Å; F230-E233 VanDerWaalsContact O-N 3.17Å; E233-N557 WeakPolarHBondContact CG-OXT 3.33Å
234	R	95.2	Very high	85.1	Confident	33 Å²	33	48.9 Å²	48.9	13%	0.125	22%	0.223	C	C	.	.			trans	-115.1	150.1	-174.8	-77.4	166	-173.5	-93.5	4	112.7	Q193 K203 Y204 V205 A229 N232 D272 I274	Q193-R234 VanDerWaalsContact NE2-N 3.13Å; Q193-R234 PolarHBondContact NE2-O 3.49Å; K203-R234 HydrophobicContact CB-CG 3.67Å; K203-R234 CarbonylContact O-C 3.54Å; K203-R234 VanDerWaalsContact O-CA 3.32Å; K203-R234 WeakPolarHBondContact O-CA 3.41Å; K203-R234 WeakPolarHBondContact O-CB 3.33Å; Y204-R234 PolarHBondContact O-NH1 3.39Å; Y204-R234 VanDerWaalsContact O-NH1 3.08Å; V205-R234 HydrophobicContact CG2-CB 3.98Å; A229-R234 CarbonylContact C-O 3.48Å; A229-R234 WeakPolarHBondContact CB-O 3.4Å; A229-R234 PolarHBondContact O-N 3.41Å; N232-R234 HydrophobicContact CB-CB 4.44Å; N232-R234 HydrophobicContact CB-CG 4.07Å; N232-R234 WeakPolarHBondContact O-CG 3.05Å; N232-R234 PolarHBondContact O-N 2.94Å; R234-D272 PolarHBondContact NH1-O 3.06Å; R234-D272 PolarHBondContact NH2-O 3.29Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å
235	V	97.3	Very high	84.7	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.7	169.1	-175.2	0	0	0	0	108.5	Q193 P196 A202 K203 Y204 V205 V237 C262	Q193-V235 WeakPolarHBondContact O-CG2 3.48Å; P196-V235 HydrophobicContact CG-CG2 3.74Å; A202-V235 HydrophobicContact CB-CG2 4.06Å; K203-V235 PolarHBondContact O-N 3.17Å; Y204-V235 CarbonylContact C-O 3.56Å; Y204-V235 WeakPolarHBondContact CA-O 3.25Å; Y204-V235 HydrophobicContact CD1-CB 3.72Å; Y204-V235 HydrophobicContact CD1-CG1 4.23Å; Y204-V235 HydrophobicContact CE1-CB 3.74Å; Y204-V235 HydrophobicContact CE1-CG1 4.05Å; Y204-V235 HydrophobicContact CE1-CG2 4.24Å; V205-V235 PolarHBondContact N-O 3.41Å; V235-V237 HydrophobicContact CG1-CG2 4.01Å; V235-C262 HydrophobicContact CG1-CB 4.25Å
236	L	96.3	Very high	84.3	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123	172.3	174.6	64.2	0	0	0	108.2	Q194 V205 F207 L222 C225 L226 A229 L258	Q194-L236 VanDerWaalsContact NE2-N 3.14Å; Q194-L236 PolarHBondContact OE1-O 2.87Å; V205-L236 HydrophobicContact CB-CD1 4.28Å; V205-L236 HydrophobicContact CG1-CD1 3.92Å; V205-L236 WeakPolarHBondContact O-CA 3.23Å; F207-L236 HydrophobicContact CB-CD1 4.21Å; L222-L236 HydrophobicContact CD1-CD2 3.74Å; C225-L236 HydrophobicContact CB-CD1 3.81Å; C225-L236 HydrophobicContact CB-CD2 4.25Å; L226-L236 HydrophobicContact CB-CD2 3.79Å; L226-L236 HydrophobicContact CD1-CB 4.25Å; L226-L236 HydrophobicContact CD1-CD2 4.08Å; A229-L236 HydrophobicContact CB-CB 3.77Å; L236-L258 HydrophobicContact CD2-CD1 3.92Å; L236-L258 HydrophobicContact CG-CD1 4.3Å
237	V	94.2	Very high	83.9	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.7	176	174.6	0	0	0	0	109.8	Y204 V205 T206 F207 V235 H264 T267	Y204-V237 HydrophobicContact CD1-CB 4.33Å; Y204-V237 HydrophobicContact CD1-CG2 3.49Å; Y204-V237 VanDerWaalsContact CD1-CG2 3.49Å; Y204-V237 HydrophobicContact CE1-CG2 3.7Å; V205-V237 PolarHBondContact O-N 2.95Å; T206-V237 CarbonylContact C-O 3.57Å; T206-V237 VanDerWaalsContact CA-O 3.3Å; T206-V237 WeakPolarHBondContact CA-O 3.49Å; F207-V237 PolarHBondContact N-O 3.25Å; V235-V237 HydrophobicContact CG1-CG2 4.01Å; V237-H264 HydrophobicContact CG1-CB 4.17Å; V237-T267 HydrophobicContact CB-CG2 3.78Å; V237-T267 HydrophobicContact CG1-CG2 3.72Å; V237-T267 HydrophobicContact CG2-CG2 4.04Å
238	V	89.8	Confident	83.7	Confident	22 Å²	22	51.6 Å²	51.6	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.6	169.3	175.3	0	0	0	0	108.1	F207 Y209 L222 H248 L258	F207-V238 CarbonylContact O-C 3.42Å; F207-V238 WeakPolarHBondContact O-CA 2.95Å; Y209-V238 HydrophobicContact CD2-CG1 3.42Å; Y209-V238 VanDerWaalsContact CD2-CG1 3.42Å; Y209-V238 HydrophobicContact CE2-CB 4.13Å; Y209-V238 HydrophobicContact CE2-CG1 3.27Å; Y209-V238 HydrophobicContact CE2-CG2 3.7Å; L222-V238 HydrophobicContact CD1-CG2 4.42Å; V238-H248 VanDerWaalsContact CG1-CE1 3.43Å; V238-H248 WeakPolarHBondContact CG1-CE1 3.44Å; V238-L258 HydrophobicContact CG2-CD1 3.92Å
239	K	84.6	Confident	83.7	Confident	57 Å²	57	54.3 Å²	54.3	25%	0.248	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-63.2	159.5	177.9	-64.2	-167.4	-164.7	167.7	0	110.9	T206 F207 D208 Y241 H248 E275	T206-K239 VanDerWaalsContact OG1-CE 3.28Å; T206-K239 WeakPolarHBondContact OG1-CE 3.32Å; F207-K239 PolarHBondContact O-N 2.92Å; D208-K239 HydrophobicContact CB-CB 4.48Å; D208-K239 HydrophobicContact CB-CD 3.99Å; D208-K239 HydrophobicContact CB-CG 4.45Å; K239-Y241 PolarHBondContact O-N 3.39Å; K239-H248 PolarHBondContact O-CE1 3.27Å; K239-H248 VanDerWaalsContact O-CE1 3.23Å; K239-E275 IonicContact NZ-OE1 3.63Å; K239-E275 PolarHBondContact NZ-OE1 3.26Å
240	N	73.9	Confident	83.6	Confident	97 Å²	97	54.3 Å²	54.3	52%	0.519	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-52.7	141.8	-172.4	-161.3	4.9	0	0	0	112.9	R242 H264	N240-R242 PolarHBondContact O-N 2.89Å; N240-H264 VanDerWaalsContact CG-NE2 3.33Å; N240-H264 PolarHBondContact ND2-NE2 2.97Å
241	Y	66.3	Low	83.6	Confident	86 Å²	86	54.5 Å²	54.5	34%	0.337	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-54	118.7	178.1	174.1	-103.8	0	0	0	111	K239 R244 D245 H248 E249	K239-Y241 PolarHBondContact O-N 3.39Å; Y241-R244 PolarHBondContact OH-N 3.02Å; Y241-D245 HydrophobicContact CE2-CB 4.46Å; Y241-D245 WeakPolarHBondContact CE2-O 3.48Å; Y241-H248 HydrophobicContact CD2-CB 4.45Å; Y241-E249 HydrophobicContact CE2-CB 3.75Å; Y241-E249 HydrophobicContact CE2-CG 4.44Å; Y241-E249 PolarHBondContact OH-OE2 3.22Å
242	R	65.8	Low	83.8	Confident	153 Å²	153	59.2 Å²	59.2	58%	0.577	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-85.5	127.2	162.5	-59.5	-173.2	-168.2	-167.7	5.9	107.4	D208 N240 R244 D245	D208-R242 IonicContact OD1-NE 3.35Å; D208-R242 IonicContact OD2-CZ 3.13Å; D208-R242 IonicContact OD2-NE 3.06Å; D208-R242 IonicContact OD2-NH2 2.71Å; D208-R242 PolarHBondContact OD2-NH2 3.24Å; N240-R242 PolarHBondContact O-N 2.89Å; R242-R244 PolarHBondContact O-N 3.39Å; R242-D245 PolarHBondContact O-N 3.25Å
243	S	60.1	Low	84	Confident	89 Å²	89	61.6 Å²	61.6	62%	0.622	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.7	175.1	46.5	0	0	0	0	110.1
244	R	67.1	Low	84.2	Confident	231 Å²	231	55.9 Å²	55.9	87%	0.872	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-4.1	-173.9	-58.6	174	-121	-143.4	-2.7	117.1	Y241 R242 I246	Y241-R244 PolarHBondContact OH-N 3.02Å; R242-R244 PolarHBondContact O-N 3.39Å; R244-I246 PolarHBondContact O-N 3.13Å; R244-I246 VanDerWaalsContact O-N 3.11Å
245	D	78.3	Confident	84.3	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.064	25%	0.252	C	S	.	.			trans	-82	93.1	171.6	-176.4	4.1	0	0	0	112.3	Y209 N211 Y241 R242 F247 H248 E249	Y209-D245 WeakPolarHBondContact CB-OD2 3.29Å; N211-D245 PolarHBondContact ND2-OD1 2.95Å; Y241-D245 HydrophobicContact CE2-CB 4.46Å; Y241-D245 WeakPolarHBondContact CE2-O 3.48Å; R242-D245 PolarHBondContact O-N 3.25Å; D245-F247 VanDerWaalsContact C-N 3.27Å; D245-F247 PolarHBondContact O-N 3.38Å; D245-F247 PolarHBondContact OD1-N 2.92Å; D245-H248 HydrophobicContact CB-CB 4.16Å; D245-H248 PolarHBondContact O-N 3.38Å; D245-H248 PolarHBondContact OD1-N 3.19Å; D245-H248 WeakPolarHBondContact OD2-CB 3.12Å; D245-E249 WeakPolarHBondContact O-CB 3.48Å; D245-E249 PolarHBondContact O-N 3.47Å
246	I	82.5	Confident	84.2	Confident	40 Å²	40	57.7 Å²	57.7	21%	0.205	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-34.6	-177.5	-61.8	175.1	0	0	0	112	R244 W250 M420 M425	R244-I246 PolarHBondContact O-N 3.13Å; R244-I246 VanDerWaalsContact O-N 3.11Å; I246-W250 WeakPolarHBondContact O-CB 3.34Å; I246-W250 PolarHBondContact O-N 2.9Å; I246-M420 VanDerWaalsContact CD1-C 3.49Å; I246-M420 HydrophobicContact CD1-CB 4.33Å; I246-M420 WeakPolarHBondContact CD1-O 3.47Å; I246-M425 HydrophobicContact CG2-CE 4.33Å
247	F	85.3	Confident	84.2	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-72.1	-47.1	-178.2	177.1	-113.4	0	0	0	111.1	Y209 F215 M219 D245 W250 L251 M425	Y209-F247 AromaticContact CD1-CD1 3.86Å; Y209-F247 HydrophobicContact CD1-CD1 3.86Å; Y209-F247 HydrophobicContact CD1-CE1 4.23Å; Y209-F247 AromaticContact CE1-CD1 3.41Å; Y209-F247 HydrophobicContact CE1-CD1 3.41Å; Y209-F247 VanDerWaalsContact CE1-CD1 3.41Å; Y209-F247 AromaticContact CE1-CE1 3.34Å; Y209-F247 HydrophobicContact CE1-CE1 3.34Å; Y209-F247 AromaticContact CZ-CD1 3.9Å; Y209-F247 AromaticContact CZ-CE1 3.64Å; F215-F247 AromaticContact CD2-CD2 3.9Å; F215-F247 HydrophobicContact CD2-CD2 3.9Å; F215-F247 AromaticContact CD2-CE2 3.58Å; F215-F247 HydrophobicContact CD2-CE2 3.58Å; F215-F247 HydrophobicContact CE2-CD2 4.43Å; F215-F247 AromaticContact CE2-CE2 3.71Å; F215-F247 HydrophobicContact CE2-CE2 3.71Å; M219-F247 HydrophobicContact CG-CE2 4.17Å; M219-F247 HydrophobicContact CG-CZ 4.02Å; M219-F247 HydrophobicContact SD-CE2 3.99Å; M219-F247 HydrophobicContact SD-CZ 3.59Å; M219-F247 VanDerWaalsContact SD-CZ 3.59Å; D245-F247 VanDerWaalsContact C-N 3.27Å; D245-F247 PolarHBondContact O-N 3.38Å; D245-F247 PolarHBondContact OD1-N 2.92Å; F247-W250 HydrophobicContact CE2-CE3 4.42Å; F247-W250 PolarHBondContact O-N 3.17Å; F247-L251 WeakPolarHBondContact O-CB 3.46Å; F247-L251 PolarHBondContact O-N 3.18Å; F247-M425 HydrophobicContact CB-CE 4.07Å; F247-M425 HydrophobicContact CD2-CE 4.15Å; F247-M425 HydrophobicContact CD2-SD 3.91Å
248	H	85.9	Confident	84.2	Confident	26 Å²	26	61.4 Å²	61.4	12%	0.12	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-44.4	175.7	-177.6	-178.7	0	0	0	111.3	Y209 V238 K239 Y241 D245 W250 L251 H252	Y209-H248 HydrophobicContact CD2-CB 3.78Å; Y209-H248 AromaticContact CD2-CG 3.89Å; Y209-H248 AromaticContact CD2-ND1 3.99Å; Y209-H248 HydrophobicContact CE2-CB 4.2Å; Y209-H248 HydrophobicContact CG-CB 4.39Å; V238-H248 VanDerWaalsContact CG1-CE1 3.43Å; V238-H248 WeakPolarHBondContact CG1-CE1 3.44Å; K239-H248 PolarHBondContact O-CE1 3.27Å; K239-H248 VanDerWaalsContact O-CE1 3.23Å; Y241-H248 HydrophobicContact CD2-CB 4.45Å; D245-H248 HydrophobicContact CB-CB 4.16Å; D245-H248 PolarHBondContact O-N 3.38Å; D245-H248 PolarHBondContact OD1-N 3.19Å; D245-H248 WeakPolarHBondContact OD2-CB 3.12Å; H248-W250 VanDerWaalsContact C-N 3.33Å; H248-W250 PolarHBondContact O-N 2.96Å; H248-L251 PolarHBondContact O-N 3.04Å; H248-H252 WeakPolarHBondContact O-CB 3.18Å; H248-H252 PolarHBondContact O-N 3.28Å
249	E	86.4	Confident	84.5	Confident	74 Å²	74	60.9 Å²	60.9	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-56.8	-48.6	174.2	-172	176.1	154.8	0	0	111.4	Y241 D245 L251 H252 Q253	Y241-E249 HydrophobicContact CE2-CB 3.75Å; Y241-E249 HydrophobicContact CE2-CG 4.44Å; Y241-E249 PolarHBondContact OH-OE2 3.22Å; D245-E249 WeakPolarHBondContact O-CB 3.48Å; D245-E249 PolarHBondContact O-N 3.47Å; E249-L251 PolarHBondContact O-N 2.58Å; E249-H252 PolarHBondContact O-N 3.23Å; E249-Q253 HydrophobicContact CG-CG 4.49Å; E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 VanDerWaalsContact O-CG 3.24Å; E249-Q253 WeakPolarHBondContact O-CG 3.26Å; E249-Q253 PolarHBondContact O-N 2.84Å
250	W	90.9	Very high	85	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-44.9	178.9	180	91.8	0	0	0	112.3	I246 F247 H248 Q253 N254 T255 L321 F327 Y422 M425 N426 V429	I246-W250 WeakPolarHBondContact O-CB 3.34Å; I246-W250 PolarHBondContact O-N 2.9Å; F247-W250 HydrophobicContact CE2-CE3 4.42Å; F247-W250 PolarHBondContact O-N 3.17Å; H248-W250 VanDerWaalsContact C-N 3.33Å; H248-W250 PolarHBondContact O-N 2.96Å; W250-Q253 PolarHBondContact O-N 3.03Å; W250-N254 HydrophobicContact CD2-CB 4.5Å; W250-N254 HydrophobicContact CH2-CB 4.32Å; W250-N254 HydrophobicContact CZ2-CB 3.91Å; W250-N254 PolarHBondContact NE1-ND2 3.17Å; W250-N254 WeakPolarHBondContact O-CB 3.25Å; W250-N254 PolarHBondContact O-N 3.24Å; W250-N254 PolarHBondContact O-ND2 2.84Å; W250-T255 HydrophobicContact CH2-CG2 4.11Å; W250-T255 HydrophobicContact CZ3-CG2 4.05Å; W250-L321 HydrophobicContact CH2-CD2 4.32Å; W250-L321 HydrophobicContact CZ3-CD2 4.31Å; W250-F327 HydrophobicContact CH2-CE1 4.03Å; W250-F327 HydrophobicContact CH2-CZ 4.33Å; W250-F327 HydrophobicContact CZ2-CD1 4.33Å; W250-F327 AromaticContact CZ2-CE1 3.67Å; W250-F327 HydrophobicContact CZ2-CE1 3.67Å; W250-F327 HydrophobicContact CZ2-CE2 4.09Å; W250-F327 AromaticContact CZ2-CZ 3.58Å; W250-F327 HydrophobicContact CZ2-CZ 3.58Å; W250-Y422 HydrophobicContact CB-CD2 4.25Å; W250-Y422 HydrophobicContact CB-CE2 4.2Å; W250-M425 HydrophobicContact CB-CB 4.33Å; W250-M425 HydrophobicContact CB-CG 3.76Å; W250-M425 HydrophobicContact CD2-CB 4.41Å; W250-M425 HydrophobicContact CD2-CG 3.53Å; W250-M425 HydrophobicContact CE3-CG 4.14Å; W250-M425 HydrophobicContact CG-CB 3.84Å; W250-M425 HydrophobicContact CG-CG 3.28Å; W250-N426 PolarHBondContact NE1-OD1 2.84Å; W250-V429 HydrophobicContact CE3-CG2 4.45Å; W250-V429 HydrophobicContact CH2-CB 3.94Å; W250-V429 HydrophobicContact CH2-CG1 3.68Å; W250-V429 HydrophobicContact CH2-CG2 3.38Å; W250-V429 HydrophobicContact CZ2-CB 3.77Å; W250-V429 HydrophobicContact CZ2-CG1 3.87Å; W250-V429 HydrophobicContact CZ2-CG2 3.38Å; W250-V429 HydrophobicContact CZ3-CG2 3.92Å
251	L	91.1	Very high	86	Confident	10 Å²	10	65.4 Å²	65.4	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-52.8	179.1	-172.7	72.1	0	0	0	109.8	L222 F247 H248 E249 Q253 N254 T255 I320	L222-L251 HydrophobicContact CD2-CD2 3.87Å; F247-L251 WeakPolarHBondContact O-CB 3.46Å; F247-L251 PolarHBondContact O-N 3.18Å; H248-L251 PolarHBondContact O-N 3.04Å; E249-L251 PolarHBondContact O-N 2.58Å; L251-Q253 VanDerWaalsContact C-N 3.28Å; L251-Q253 PolarHBondContact O-N 2.95Å; L251-N254 PolarHBondContact O-N 3.39Å; L251-T255 HydrophobicContact CD1-CG2 3.88Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.46Å; L251-T255 PolarHBondContact O-N 2.83Å; L251-T255 PolarHBondContact O-OG1 3.44Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å
252	H	89.7	Confident	87.4	Confident	120 Å²	120	61.7 Å²	61.7	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-58.2	-38.8	179.2	178.1	-93.9	0	0	0	112.8	H248 E249 K324	H248-H252 WeakPolarHBondContact O-CB 3.18Å; H248-H252 PolarHBondContact O-N 3.28Å; E249-H252 PolarHBondContact O-N 3.23Å; H252-K324 WeakPolarHBondContact O-CE 3.29Å; H252-K324 PolarHBondContact O-NZ 3.45Å
253	Q	92.3	Very high	88.6	Confident	97 Å²	97	57.7 Å²	57.7	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-77.5	-37.1	-178.2	-67.3	-61.2	-16.3	0	0	113.4	E249 W250 L251 K324 Y422	E249-Q253 HydrophobicContact CG-CG 4.49Å; E249-Q253 WeakPolarHBondContact O-CB 3.33Å; E249-Q253 VanDerWaalsContact O-CG 3.24Å; E249-Q253 WeakPolarHBondContact O-CG 3.26Å; E249-Q253 PolarHBondContact O-N 2.84Å; W250-Q253 PolarHBondContact O-N 3.03Å; L251-Q253 VanDerWaalsContact C-N 3.28Å; L251-Q253 PolarHBondContact O-N 2.95Å; Q253-K324 WeakPolarHBondContact O-CD 3.22Å; Q253-K324 PolarHBondContact O-NZ 3.42Å; Q253-Y422 HydrophobicContact CB-CE2 4.23Å; Q253-Y422 WeakPolarHBondContact CB-OH 3.03Å; Q253-Y422 HydrophobicContact CG-CE2 4.41Å
254	N	95.5	Very high	89.9	Confident	14 Å²	14	55.7 Å²	55.7	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-106.1	-18.5	-169	-61.4	-72.7	0	0	0	115.2	W250 L251 K324 F327 Y422	W250-N254 HydrophobicContact CD2-CB 4.5Å; W250-N254 HydrophobicContact CH2-CB 4.32Å; W250-N254 HydrophobicContact CZ2-CB 3.91Å; W250-N254 PolarHBondContact NE1-ND2 3.17Å; W250-N254 WeakPolarHBondContact O-CB 3.25Å; W250-N254 PolarHBondContact O-N 3.24Å; W250-N254 PolarHBondContact O-ND2 2.84Å; L251-N254 PolarHBondContact O-N 3.39Å; N254-K324 PolarHBondContact O-N 3.23Å; N254-F327 HydrophobicContact CB-CB 4.02Å; N254-F327 HydrophobicContact CB-CD1 4.09Å; N254-F327 HydrophobicContact CB-CD2 4.28Å; N254-F327 HydrophobicContact CB-CG 3.87Å; N254-Y422 PolarHBondContact ND2-OH 3.36Å; N254-Y422 PolarHBondContact OD1-OH 2.86Å
255	T	96.2	Very high	91.1	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-113.6	158.1	179.9	72.4	0	0	0	0	112.2	W250 L251 R322 K324	W250-T255 HydrophobicContact CH2-CG2 4.11Å; W250-T255 HydrophobicContact CZ3-CG2 4.05Å; L251-T255 HydrophobicContact CD1-CG2 3.88Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.46Å; L251-T255 PolarHBondContact O-N 2.83Å; L251-T255 PolarHBondContact O-OG1 3.44Å; T255-R322 CarbonylContact C-O 3.49Å; T255-R322 WeakPolarHBondContact CA-O 3.26Å; T255-R322 WeakPolarHBondContact CB-O 2.99Å; T255-K324 WeakPolarHBondContact O-CE 3.4Å
256	L	96.6	Very high	91.7	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.356	26%	0.258	S	S	.	.			trans	-61.9	147.6	166.2	-61.9	-177.5	0	0	0	109.2	R322 K324	L256-R322 HydrophobicContact CB-CB 4.08Å; L256-R322 HydrophobicContact CD1-CB 4.03Å; L256-R322 HydrophobicContact CG-CB 4.15Å; L256-R322 PolarHBondContact N-O 2.84Å; L256-K324 HydrophobicContact CD2-CG 4.21Å
257	P	94.8	Very high	92.1	Very high	68 Å²	68	50.8 Å²	50.8	44%	0.442	25%	0.251	S	S	.	.			trans	-65	153.1	-179.7	31.4	-37.5	0	0	0	110.6	S259 E260 R322	P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.37Å; P257-S259 PolarHBondContact O-N 2.86Å; P257-E260 HydrophobicContact CG-CG 4.4Å; P257-R322 PolarHBondContact O-NH2 3.32Å
258	L	95.2	Very high	92	Very high	18 Å²	18	56 Å²	56	9%	0.094	28%	0.279	C	S	.	.	S	Bend	trans	-62.7	-38	176.6	-61.5	174.8	0	0	0	111.2	Q194 L222 L236 V238 Y319 I320	Q194-L258 WeakPolarHBondContact CB-O 3.25Å; L222-L258 HydrophobicContact CD1-CD1 4.01Å; L236-L258 HydrophobicContact CD2-CD1 3.92Å; L236-L258 HydrophobicContact CG-CD1 4.3Å; V238-L258 HydrophobicContact CG2-CD1 3.92Å; L258-Y319 PolarHBondContact O-OH 2.95Å; L258-I320 HydrophobicContact CD2-CB 4.42Å; L258-I320 HydrophobicContact CD2-CG1 3.93Å
259	S	96.6	Very high	91.8	Very high	12 Å²	12	59.2 Å²	59.2	8%	0.084	32%	0.318	C	S	.	.			trans	-125.1	135.3	170.1	-177.7	0	0	0	0	109.7	Q194 N195 P257 K261 C262	Q194-S259 WeakPolarHBondContact O-CB 3.2Å; Q194-S259 PolarHBondContact O-OG 2.75Å; N195-S259 PolarHBondContact OD1-OG 3.33Å; P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.37Å; P257-S259 PolarHBondContact O-N 2.86Å; S259-K261 VanDerWaalsContact C-N 3.34Å; S259-K261 PolarHBondContact OG-N 3.1Å; S259-C262 WeakPolarHBondContact CB-O 3.26Å; S259-C262 PolarHBondContact OG-N 3.29Å
260	E	94.8	Very high	92	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	31%	0.314	S	S	*	.	S	Bend	trans	-82.2	-15.6	173.1	-64.6	168.4	-154.9	0	0	112.1	Q191 N195 P257	Q191-E260 PolarHBondContact NE2-OE1 3.21Å; N195-E260 WeakPolarHBondContact OD1-CA 3.34Å; N195-E260 WeakPolarHBondContact OD1-CB 3.32Å; N195-E260 PolarHBondContact OD1-N 3.24Å; P257-E260 HydrophobicContact CG-CG 4.4Å
261	K	94.8	Very high	91.9	Very high	116 Å²	116	65 Å²	65	50%	0.504	36%	0.357	S	S	.	.	S	Bend	trans	-112.3	-44.8	-172.4	-63.9	179.6	-177.5	169.8	0	113.7	N195 P196 S259	N195-K261 HydrophobicContact CB-CD 4.13Å; N195-K261 HydrophobicContact CB-CG 4.47Å; N195-K261 PolarHBondContact O-NZ 3.14Å; P196-K261 WeakPolarHBondContact O-CD 3.39Å; P196-K261 PolarHBondContact O-NZ 3.31Å; S259-K261 VanDerWaalsContact C-N 3.34Å; S259-K261 PolarHBondContact OG-N 3.1Å
262	C	94.7	Very high	91.9	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.061	37%	0.369	C	S	.	.			trans	-103.8	142.5	-172.7	-47.1	0	0	0	0	110.8	P196 C199 Y204 V235 S259 D266	P196-C262 VanDerWaalsContact CG-SG 3.55Å; C199-C262 HydrophobicContact CB-CB 3.85Å; C199-C262 WeakPolarHBondContact CB-SG 3.46Å; C199-C262 WeakPolarHBondContact SG-CA 3.48Å; C199-C262 WeakPolarHBondContact SG-CB 3.25Å; C199-C262 PolarHBondContact SG-N 2.6Å; C199-C262 VanDerWaalsContact SG-N 3.42Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.45Å; Y204-C262 HydrophobicContact CE1-CB 4.03Å; V235-C262 HydrophobicContact CG1-CB 4.25Å; S259-C262 WeakPolarHBondContact CB-O 3.26Å; S259-C262 PolarHBondContact OG-N 3.29Å; C262-D266 VanDerWaalsContact CA-OD2 3.3Å; C262-D266 WeakPolarHBondContact CA-OD2 3.45Å
263	N	91.2	Very high	92	Very high	69 Å²	69	63.3 Å²	63.3	37%	0.369	35%	0.352	S	S	.	.			trans	-135.9	-178.8	-176.5	70.7	65	0	0	0	111.3	E265 D266	N263-E265 PolarHBondContact O-N 3.1Å; N263-E265 WeakPolarHBondContact OD1-CA 3.33Å; N263-E265 WeakPolarHBondContact OD1-CB 3.37Å; N263-E265 WeakPolarHBondContact OD1-CG 3.34Å; N263-E265 PolarHBondContact OD1-N 3Å; N263-D266 PolarHBondContact N-OD2 3.25Å; N263-D266 WeakPolarHBondContact O-CB 3.25Å; N263-D266 PolarHBondContact O-N 3.31Å; N263-D266 VanDerWaalsContact O-N 3.15Å
264	H	88.9	Confident	91.9	Very high	47 Å²	47	61 Å²	61	22%	0.218	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-60.7	-28.1	-175.8	67.9	-89.8	0	0	0	113.9	V237 N240 D266 T267	V237-H264 HydrophobicContact CG1-CB 4.17Å; N240-H264 VanDerWaalsContact CG-NE2 3.33Å; N240-H264 PolarHBondContact ND2-NE2 2.97Å; H264-D266 VanDerWaalsContact C-N 3.27Å; H264-D266 PolarHBondContact O-N 3.34Å; H264-T267 PolarHBondContact O-N 3.07Å; H264-T267 PolarHBondContact O-OG1 2.94Å
265	E	90.6	Very high	91.6	Very high	130 Å²	130	65.1 Å²	65.1	61%	0.607	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-65.1	-32.1	178.1	-57.5	-179.1	164.4	0	0	112	N263 T267 N268	N263-E265 PolarHBondContact O-N 3.1Å; N263-E265 WeakPolarHBondContact OD1-CA 3.33Å; N263-E265 WeakPolarHBondContact OD1-CB 3.37Å; N263-E265 WeakPolarHBondContact OD1-CG 3.34Å; N263-E265 PolarHBondContact OD1-N 3Å; E265-T267 PolarHBondContact O-N 3.39Å; E265-N268 PolarHBondContact O-N 3.21Å
266	D	91.3	Very high	91.2	Very high	41 Å²	41	64.9 Å²	64.9	22%	0.219	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-66.4	-17	178.1	-62.2	-63.9	0	0	0	113.1	C199 Y204 C262 N263 H264 R270	C199-D266 HydrophobicContact CB-CB 4.44Å; Y204-D266 HydrophobicContact CE1-CB 4.44Å; Y204-D266 HydrophobicContact CE2-CB 4.3Å; Y204-D266 WeakPolarHBondContact OH-CB 3.14Å; C262-D266 VanDerWaalsContact CA-OD2 3.3Å; C262-D266 WeakPolarHBondContact CA-OD2 3.45Å; N263-D266 PolarHBondContact N-OD2 3.25Å; N263-D266 WeakPolarHBondContact O-CB 3.25Å; N263-D266 PolarHBondContact O-N 3.31Å; N263-D266 VanDerWaalsContact O-N 3.15Å; H264-D266 VanDerWaalsContact C-N 3.27Å; H264-D266 PolarHBondContact O-N 3.34Å; D266-R270 WeakPolarHBondContact O-CD 3.2Å
267	T	90.5	Very high	90.4	Very high	8 Å²	8	63.2 Å²	63.2	5%	0.049	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-96	-15.5	-177.5	72.2	0	0	0	0	113.2	Y204 T206 V237 H264 E265 G269 R270 N273	Y204-T267 HydrophobicContact CD1-CG2 3.84Å; Y204-T267 HydrophobicContact CD2-CG2 4.16Å; Y204-T267 HydrophobicContact CE1-CG2 4.33Å; Y204-T267 HydrophobicContact CG-CG2 3.74Å; T206-T267 HydrophobicContact CG2-CG2 3.93Å; V237-T267 HydrophobicContact CB-CG2 3.78Å; V237-T267 HydrophobicContact CG1-CG2 3.72Å; V237-T267 HydrophobicContact CG2-CG2 4.04Å; H264-T267 PolarHBondContact O-N 3.07Å; H264-T267 PolarHBondContact O-OG1 2.94Å; E265-T267 PolarHBondContact O-N 3.39Å; T267-G269 PolarHBondContact O-N 2.79Å; T267-R270 PolarHBondContact O-N 3.42Å; T267-N273 PolarHBondContact O-ND2 3.45Å
268	N	84.8	Confident	89.1	Confident	113 Å²	113	64.4 Å²	64.4	60%	0.604	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	130.5	-172.7	-74.3	-22.4	0	0	0	111.9	E265 R270	E265-N268 PolarHBondContact O-N 3.21Å; N268-R270 PolarHBondContact O-N 2.94Å
269	G	81.3	Confident	87.4	Confident	92 Å²	92	66.6 Å²	66.6	95%	0.948	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	4.4	176.8	0	0	0	0	0	115.3	T267	T267-G269 PolarHBondContact O-N 2.79Å
270	R	89.2	Confident	85.5	Confident	67 Å²	67	68.3 Å²	68.3	25%	0.253	37%	0.369	S	S	.	.			trans	-87.4	122.4	178.9	-66.7	-170.6	71.9	132.2	-2.2	111.9	K200 A202 D266 T267 N268 D272 N273	K200-R270 PolarHBondContact O-NH1 3.29Å; A202-R270 VanDerWaalsContact O-CZ 3.31Å; A202-R270 PolarHBondContact O-NH1 3.17Å; A202-R270 PolarHBondContact O-NH2 2.82Å; D266-R270 WeakPolarHBondContact O-CD 3.2Å; T267-R270 PolarHBondContact O-N 3.42Å; N268-R270 PolarHBondContact O-N 2.94Å; R270-D272 WeakPolarHBondContact CB-OD1 3.4Å; R270-D272 IonicContact CZ-OD1 2.74Å; R270-D272 IonicContact CZ-OD2 3.6Å; R270-D272 IonicContact NE-OD1 3.87Å; R270-D272 PolarHBondContact NE-OD1 2.89Å; R270-D272 IonicContact NE-OD2 3.56Å; R270-D272 IonicContact NH2-OD1 3.78Å; R270-D272 IonicContact NH2-OD2 3.07Å; R270-D272 PolarHBondContact NH2-OD2 2.9Å; R270-D272 VanDerWaalsContact NH2-OD2 3.07Å; R270-N273 PolarHBondContact O-ND2 2.91Å
271	S	89.2	Confident	83.4	Confident	128 Å²	128	66.8 Å²	66.8	90%	0.895	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.3	178.5	61.1	0	0	0	0	113.7	N273	S271-N273 VanDerWaalsContact C-N 3.34Å
272	D	91.8	Very high	81	Confident	57 Å²	57	67 Å²	67	31%	0.305	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.4	-178.4	66	-40.2	0	0	0	113.6	R234 R270	R234-D272 PolarHBondContact NH1-O 3.06Å; R234-D272 PolarHBondContact NH2-O 3.29Å; R270-D272 WeakPolarHBondContact CB-OD1 3.4Å; R270-D272 IonicContact CZ-OD1 2.74Å; R270-D272 IonicContact CZ-OD2 3.6Å; R270-D272 IonicContact NE-OD1 3.87Å; R270-D272 PolarHBondContact NE-OD1 2.89Å; R270-D272 IonicContact NE-OD2 3.56Å; R270-D272 IonicContact NH2-OD1 3.78Å; R270-D272 IonicContact NH2-OD2 3.07Å; R270-D272 PolarHBondContact NH2-OD2 2.9Å; R270-D272 VanDerWaalsContact NH2-OD2 3.07Å
273	N	91.1	Very high	78.8	Confident	38 Å²	38	67.7 Å²	67.7	20%	0.203	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-65.2	135.7	175.9	-66.7	-15.7	0	0	0	111	T206 T267 R270 S271	T206-N273 HydrophobicContact CG2-CB 4.11Å; T267-N273 PolarHBondContact O-ND2 3.45Å; R270-N273 PolarHBondContact O-ND2 2.91Å; S271-N273 VanDerWaalsContact C-N 3.34Å
274	I	91.8	Very high	76.4	Confident	49 Å²	49	70.6 Å²	70.6	25%	0.251	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.9	166.8	-64.8	178.2	0	0	0	107.6	Y204 V205 T206 L228 N232 R234	Y204-I274 PolarHBondContact O-N 3.1Å; V205-I274 CarbonylContact C-O 3.53Å; V205-I274 WeakPolarHBondContact CA-O 3.21Å; V205-I274 HydrophobicContact CG2-CB 4.06Å; V205-I274 HydrophobicContact CG2-CG2 4.31Å; T206-I274 PolarHBondContact N-O 1.97Å; L228-I274 HydrophobicContact CD2-CG2 4.21Å; N232-I274 HydrophobicContact CB-CD1 4.28Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å
275	E	89.3	Confident	74	Confident	101 Å²	101	72.6 Å²	72.6	47%	0.472	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.5	172.5	-174.8	158.8	-139.8	0	0	109.9	K239 P277	K239-E275 IonicContact NZ-OE1 3.63Å; K239-E275 PolarHBondContact NZ-OE1 3.26Å; E275-P277 WeakPolarHBondContact O-CD 3.26Å
276	C	86.8	Confident	71.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-68.1	124	175.2	-173.7	0	0	0	0	109.4	V205 T206 F207 C225 L228	V205-C276 HydrophobicContact CG1-CB 3.97Å; T206-C276 PolarHBondContact O-N 2.76Å; F207-C276 HydrophobicContact CB-CB 4.21Å; F207-C276 HydrophobicContact CD2-CB 4.21Å; C225-C276 WeakPolarHBondContact CA-SG 3.21Å; C225-C276 HydrophobicContact CB-CB 3.79Å; C225-C276 WeakPolarHBondContact CB-SG 3.13Å; C225-C276 WeakPolarHBondContact SG-CB 3.49Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.08Å; L228-C276 HydrophobicContact CD2-CB 4.3Å
277	P	79.3	Confident	69.1	Low	32 Å²	32	76.2 Å²	76.2	21%	0.208	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-69.8	139	-176.1	27.9	-36.2	0	0	0	111.9	Q221 F224 E275 L283	Q221-P277 PolarHBondContact NE2-O 2.77Å; F224-P277 HydrophobicContact CE1-CG 3.8Å; F224-P277 HydrophobicContact CZ-CG 4.3Å; E275-P277 WeakPolarHBondContact O-CD 3.26Å; P277-L283 HydrophobicContact CG-CD1 3.8Å; P277-L283 HydrophobicContact CG-CD2 3.95Å; P277-L283 HydrophobicContact CG-CG 3.9Å
278	Y	66.9	Low	67	Low	93 Å²	93	79.4 Å²	79.4	37%	0.365	45%	0.45	S	S	.	.	S	Bend	trans	-72.7	-34.6	-178.9	-60.1	-84.7	0	0	0	114.1	D208 T210 Q221	D208-Y278 HydrophobicContact CB-CE1 4.26Å; D208-Y278 VanDerWaalsContact CB-OH 3.3Å; D208-Y278 WeakPolarHBondContact CB-OH 3.47Å; D208-Y278 WeakPolarHBondContact O-CE1 3.3Å; T210-Y278 HydrophobicContact CG2-CE1 4.46Å; T210-Y278 WeakPolarHBondContact OG1-CD1 3.4Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.47Å; Q221-Y278 PolarHBondContact OE1-O 3.27Å
279	N	61.2	Low	65.5	Low	65 Å²	65	75.9 Å²	75.9	35%	0.348	43%	0.43	S	S	.	.			trans	-111.6	114.2	-175.6	-173.6	1.1	0	0	0	108.8	N281 D282	N279-N281 PolarHBondContact O-N 3.11Å; N279-N281 VanDerWaalsContact OD1-CB 3.25Å; N279-N281 WeakPolarHBondContact OD1-CB 3.19Å; N279-N281 PolarHBondContact OD1-N 2.98Å; N279-N281 PolarHBondContact OD1-ND2 3.07Å; N279-D282 HydrophobicContact CB-CB 4.47Å; N279-D282 WeakPolarHBondContact O-CB 2.96Å; N279-D282 PolarHBondContact O-N 2.94Å
280	I	56.6	Low	64.2	Low	48 Å²	48	73.1 Å²	73.1	25%	0.246	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-62.1	-17.7	177	-44.3	173	0	0	0	110.8	L283	I280-L283 HydrophobicContact CG2-CD1 4.05Å; I280-L283 WeakPolarHBondContact O-CB 3.24Å; I280-L283 PolarHBondContact O-N 2.64Å
281	N	50.4	Low	62.9	Low	99 Å²	99	70.1 Å²	70.1	53%	0.529	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-76.1	-19.7	173	-59	-33	0	0	0	113.8	N279 L283 V284 R485	N279-N281 PolarHBondContact O-N 3.11Å; N279-N281 VanDerWaalsContact OD1-CB 3.25Å; N279-N281 WeakPolarHBondContact OD1-CB 3.19Å; N279-N281 PolarHBondContact OD1-N 2.98Å; N279-N281 PolarHBondContact OD1-ND2 3.07Å; N281-L283 PolarHBondContact O-N 3.17Å; N281-V284 WeakPolarHBondContact O-CG2 3.41Å; N281-R485 PolarHBondContact OD1-NH2 2.77Å
282	D	44.3	Very low	61.7	Low	120 Å²	120	64.2 Å²	64.2	64%	0.642	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.8	-13.3	174.6	-64.5	-16.4	0	0	0	111.4	N279 V284	N279-D282 HydrophobicContact CB-CB 4.47Å; N279-D282 WeakPolarHBondContact O-CB 2.96Å; N279-D282 PolarHBondContact O-N 2.94Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 3.5Å
283	L	48.1	Very low	60.7	Low	25 Å²	25	61.7 Å²	61.7	13%	0.131	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-81.8	5.7	177.3	-73.9	159.5	0	0	0	114.7	F224 P277 I280 N281 A285 H286	F224-L283 HydrophobicContact CE1-CD1 3.73Å; F224-L283 HydrophobicContact CE2-CD1 3.72Å; F224-L283 HydrophobicContact CZ-CD1 3.14Å; F224-L283 HydrophobicContact CZ-CD2 4.36Å; F224-L283 HydrophobicContact CZ-CG 4.36Å; P277-L283 HydrophobicContact CG-CD1 3.8Å; P277-L283 HydrophobicContact CG-CD2 3.95Å; P277-L283 HydrophobicContact CG-CG 3.9Å; I280-L283 HydrophobicContact CG2-CD1 4.05Å; I280-L283 WeakPolarHBondContact O-CB 3.24Å; I280-L283 PolarHBondContact O-N 2.64Å; N281-L283 PolarHBondContact O-N 3.17Å; L283-A285 PolarHBondContact O-N 2.83Å; L283-H286 HydrophobicContact CD2-CB 4.19Å; L283-H286 PolarHBondContact O-N 2.86Å
284	V	41.5	Very low	60.1	Low	129 Å²	129	60 Å²	60	78%	0.782	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56.2	-19.6	178.9	174.8	0	0	0	0	112.5	N281 D282	N281-V284 WeakPolarHBondContact O-CG2 3.41Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 3.5Å
285	A	38.1	Very low	59.3	Low	89 Å²	89	61.5 Å²	61.5	74%	0.736	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-84.5	-13.4	174.4	0	0	0	0	0	115.6	L283	L283-A285 PolarHBondContact O-N 2.83Å
286	H	38.8	Very low	59	Low	114 Å²	114	60.6 Å²	60.6	53%	0.528	33%	0.327	S	S	.	.	S	Bend	trans	-113.2	130.2	-175.4	-73.7	57.2	0	0	0	110.4	L283 W288	L283-H286 HydrophobicContact CD2-CB 4.19Å; L283-H286 PolarHBondContact O-N 2.86Å; H286-W288 HydrophobicContact CB-CB 4.31Å; H286-W288 HydrophobicContact CB-CG 4.33Å; H286-W288 PolarHBondContact O-N 2.83Å
287	N	40.1	Very low	59	Low	133 Å²	133	60.7 Å²	60.7	71%	0.711	33%	0.327	S	S	*	.	S	Bend	trans	-61.6	12	175.9	-73.6	-31.3	0	0	0	114.8	L289	N287-L289 PolarHBondContact O-N 3.04Å
288	W	45.9	Very low	59.1	Low	76 Å²	76	59.4 Å²	59.4	29%	0.288	32%	0.319	S	S	.	.			trans	-93.5	73.7	-170.2	-68.4	55	0	0	0	108.3	L228 E231 N232 H286	L228-W288 HydrophobicContact CD1-CD2 4.5Å; L228-W288 HydrophobicContact CD1-CE3 3.46Å; L228-W288 VanDerWaalsContact CD1-CE3 3.46Å; L228-W288 HydrophobicContact CD1-CZ3 3.54Å; E231-W288 HydrophobicContact CB-CE3 4.29Å; E231-W288 HydrophobicContact CB-CH2 3.76Å; E231-W288 HydrophobicContact CB-CZ3 3.45Å; E231-W288 VanDerWaalsContact CB-CZ3 3.45Å; E231-W288 HydrophobicContact CG-CE3 4.22Å; E231-W288 HydrophobicContact CG-CZ3 3.79Å; E231-W288 VanDerWaalsContact OE2-CZ3 3.24Å; E231-W288 WeakPolarHBondContact OE2-CZ3 3.37Å; N232-W288 VanDerWaalsContact CG-CH2 3.43Å; N232-W288 WeakPolarHBondContact ND2-CH2 3.01Å; N232-W288 WeakPolarHBondContact ND2-CZ3 3.42Å; N232-W288 WeakPolarHBondContact OD1-CH2 3.37Å; H286-W288 HydrophobicContact CB-CB 4.31Å; H286-W288 HydrophobicContact CB-CG 4.33Å; H286-W288 PolarHBondContact O-N 2.83Å
289	L	53.4	Low	60	Low	38 Å²	38	60 Å²	60	20%	0.199	33%	0.325	C	S	.	.			trans	-86.6	158.3	174.5	-64.7	177.3	0	0	0	109	Q227 N287 H291 V292 R485	Q227-L289 PolarHBondContact NE2-O 3.35Å; N287-L289 PolarHBondContact O-N 3.04Å; L289-H291 HydrophobicContact CB-CB 4.28Å; L289-H291 PolarHBondContact O-N 2.94Å; L289-V292 PolarHBondContact O-N 2.99Å; L289-R485 HydrophobicContact CD1-CB 4.23Å; L289-R485 VanDerWaalsContact CD1-O 3.29Å; L289-R485 WeakPolarHBondContact CD1-O 3.47Å; L289-R485 HydrophobicContact CD2-CB 3.62Å; L289-R485 HydrophobicContact CD2-CG 4.17Å
290	P	54.7	Low	61.3	Low	34 Å²	34	59.3 Å²	59.3	22%	0.221	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	16.2	168.3	24.1	-32.3	0	0	0	114.1
291	H	60.8	Low	62.9	Low	5 Å²	5	57.1 Å²	57.1	2%	0.023	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	30.3	-174.7	-52	-49.9	0	0	0	112.3	L289 Y309 D482 L486	L289-H291 HydrophobicContact CB-CB 4.28Å; L289-H291 PolarHBondContact O-N 2.94Å; H291-Y309 HydrophobicContact CB-CD1 4.06Å; H291-Y309 HydrophobicContact CB-CD2 4.17Å; H291-Y309 HydrophobicContact CB-CE1 3.69Å; H291-Y309 HydrophobicContact CB-CE2 3.79Å; H291-Y309 HydrophobicContact CB-CG 4.25Å; H291-Y309 VanDerWaalsContact CB-CZ 3.49Å; H291-Y309 AromaticContact ND1-CD2 3.6Å; H291-Y309 AromaticContact ND1-CG 3.62Å; H291-Y309 WeakPolarHBondContact O-CE1 3.36Å; H291-Y309 PolarHBondContact O-OH 3.18Å; H291-D482 IonicContact CE1-OD2 3.99Å; H291-D482 WeakPolarHBondContact NE2-CB 3.31Å; H291-D482 IonicContact NE2-OD2 2.98Å; H291-L486 HydrophobicContact CB-CD2 4.18Å; H291-L486 WeakPolarHBondContact CD2-CD2 3.43Å; H291-L486 VanDerWaalsContact CG-CD2 3.46Å; H291-L486 WeakPolarHBondContact NE2-CD2 3.37Å; H291-L486 VanDerWaalsContact NE2-CG 3.32Å; H291-L486 WeakPolarHBondContact NE2-CG 3.01Å
292	V	64.1	Low	64.5	Low	3 Å²	3	55.6 Å²	55.6	2%	0.018	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-109.7	129.4	166.4	-156.5	0	0	0	0	109	L289 W555	L289-V292 PolarHBondContact O-N 2.99Å; V292-W555 HydrophobicContact CG1-CB 4.05Å; V292-W555 HydrophobicContact CG1-CG 4.07Å
293	L	71.5	Confident	66.6	Low	4 Å²	4	56.9 Å²	56.9	2%	0.021	30%	0.295	C	S	.	.			trans	-110.2	148.4	178.2	-67.7	163.1	0	0	0	108.9	I295 N298 L301 P308 Y309 F312	L293-I295 PolarHBondContact O-N 3.31Å; L293-N298 HydrophobicContact CB-CB 4.45Å; L293-L301 HydrophobicContact CD1-CD2 4.17Å; L293-L301 HydrophobicContact CD2-CD2 3.89Å; L293-P308 HydrophobicContact CD1-CB 3.48Å; L293-P308 VanDerWaalsContact CD1-CB 3.48Å; L293-Y309 HydrophobicContact CD1-CD1 3.98Å; L293-Y309 HydrophobicContact CD1-CE1 3.7Å; L293-Y309 HydrophobicContact CD2-CD1 3.97Å; L293-Y309 HydrophobicContact CD2-CE1 4.31Å; L293-Y309 HydrophobicContact CG-CD1 3.75Å; L293-Y309 HydrophobicContact CG-CE1 3.57Å; L293-F312 HydrophobicContact CD2-CB 3.52Å; L293-F312 HydrophobicContact CD2-CD1 4.48Å; L293-F312 HydrophobicContact CD2-CD2 4.12Å; L293-F312 HydrophobicContact CD2-CG 3.81Å
294	P	78.1	Confident	68.6	Low	2 Å²	2	56 Å²	56	1%	0.013	29%	0.291	C	S	.	.			trans	-53.9	124.9	170.8	-25.7	36.2	0	0	0	110.4	L186 F230 D296 M297 N298 F312	L186-P294 HydrophobicContact CD1-CG 4.45Å; F230-P294 HydrophobicContact CD1-CG 4.48Å; F230-P294 HydrophobicContact CE1-CG 3.74Å; P294-D296 WeakPolarHBondContact CB-OD1 3.35Å; P294-D296 PolarHBondContact O-N 3.32Å; P294-M297 HydrophobicContact CB-CB 4.36Å; P294-M297 HydrophobicContact CB-CG 4.32Å; P294-M297 HydrophobicContact CB-SD 4.37Å; P294-M297 HydrophobicContact CG-SD 4.48Å; P294-M297 PolarHBondContact O-N 2.8Å; P294-N298 PolarHBondContact O-N 3.32Å; P294-F312 HydrophobicContact CG-CE2 4.01Å
295	I	76.2	Confident	70.9	Confident	81 Å²	81	50.2 Å²	50.2	42%	0.415	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-31.7	-171	-163.3	163.6	0	0	0	112.6	L293 M297 I553 W555	L293-I295 PolarHBondContact O-N 3.31Å; I295-M297 PolarHBondContact O-N 2.99Å; I295-I553 HydrophobicContact CD1-CG2 4.15Å; I295-I553 HydrophobicContact CG1-CG2 4.1Å; I295-W555 WeakPolarHBondContact CB-O 3.46Å; I295-W555 VanDerWaalsContact CG2-O 3.25Å; I295-W555 WeakPolarHBondContact CG2-O 3.36Å
296	D	83.1	Confident	73	Confident	82 Å²	82	51.7 Å²	51.7	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-76.1	-10.3	179.4	74.4	-42.8	0	0	0	113.6	K189 P294	K189-D296 WeakPolarHBondContact CE-OD2 3.15Å; K189-D296 IonicContact NZ-OD1 2.69Å; K189-D296 PolarHBondContact NZ-OD1 2.71Å; K189-D296 IonicContact NZ-OD2 3.09Å; K189-D296 PolarHBondContact NZ-OD2 2.89Å; P294-D296 WeakPolarHBondContact CB-OD1 3.35Å; P294-D296 PolarHBondContact O-N 3.32Å
297	M	86.7	Confident	75.1	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-110.2	-20.8	176.8	-63.1	-175.7	-175.5	0	0	113	L182 R185 L186 K189 P294 I295 E299 E300 L301	L182-M297 HydrophobicContact CD2-CB 3.95Å; L182-M297 HydrophobicContact CD2-CG 4.09Å; R185-M297 HydrophobicContact CB-CE 3.93Å; L186-M297 HydrophobicContact CB-CE 4.18Å; L186-M297 HydrophobicContact CB-SD 3.95Å; L186-M297 HydrophobicContact CD1-SD 4.26Å; K189-M297 HydrophobicContact CD-CE 3.75Å; P294-M297 HydrophobicContact CB-CB 4.36Å; P294-M297 HydrophobicContact CB-CG 4.32Å; P294-M297 HydrophobicContact CB-SD 4.37Å; P294-M297 HydrophobicContact CG-SD 4.48Å; P294-M297 PolarHBondContact O-N 2.8Å; I295-M297 PolarHBondContact O-N 2.99Å; M297-E299 PolarHBondContact O-N 3.48Å; M297-E300 PolarHBondContact O-N 3.38Å; M297-L301 WeakPolarHBondContact O-CB 3.44Å; M297-L301 PolarHBondContact O-N 2.71Å
298	N	81.5	Confident	77.3	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-52.9	-169.5	179.2	46.1	0	0	0	114	L293 P294 E300 L301 L302	L293-N298 HydrophobicContact CB-CB 4.45Å; P294-N298 PolarHBondContact O-N 3.32Å; N298-E300 VanDerWaalsContact C-N 3.25Å; N298-E300 PolarHBondContact O-N 2.95Å; N298-L301 PolarHBondContact O-N 2.95Å; N298-L302 WeakPolarHBondContact O-CB 3.41Å; N298-L302 VanDerWaalsContact O-CG 3.26Å; N298-L302 WeakPolarHBondContact O-CG 2.86Å; N298-L302 PolarHBondContact O-N 2.88Å; N298-L302 VanDerWaalsContact OD1-CD1 3.22Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.48Å; N298-L302 WeakPolarHBondContact OD1-CG 3.36Å
299	E	84.4	Confident	79	Confident	106 Å²	106	37.4 Å²	37.4	50%	0.495	18%	0.181	S	C	.	.	H	α-helix	trans	-59.7	-37.4	-178.7	-71.2	-71.2	140.2	0	0	112.2	M297 R303	M297-E299 PolarHBondContact O-N 3.48Å; E299-R303 PolarHBondContact O-N 3.41Å
300	E	89.1	Confident	80.6	Confident	50 Å²	50	35.7 Å²	35.7	23%	0.234	17%	0.171	C	C	.	.	H	α-helix	trans	-72.5	-44.6	178.1	-165.8	-176	162.6	0	0	111	L182 R185 M297 N298 R303 L304	L182-E300 HydrophobicContact CD1-CB 4.28Å; L182-E300 HydrophobicContact CD1-CG 4.01Å; L182-E300 HydrophobicContact CD2-CB 4.2Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.28Å; R185-E300 IonicContact CZ-OE2 3.35Å; R185-E300 VanDerWaalsContact CZ-OE2 3.26Å; R185-E300 IonicContact NH1-OE2 3.21Å; R185-E300 PolarHBondContact NH1-OE2 3.05Å; R185-E300 IonicContact NH2-OE1 3.3Å; R185-E300 PolarHBondContact NH2-OE1 2.61Å; R185-E300 IonicContact NH2-OE2 2.73Å; R185-E300 PolarHBondContact NH2-OE2 2.87Å; M297-E300 PolarHBondContact O-N 3.38Å; N298-E300 VanDerWaalsContact C-N 3.25Å; N298-E300 PolarHBondContact O-N 2.95Å; E300-R303 PolarHBondContact O-N 3.48Å; E300-L304 HydrophobicContact CG-CD1 3.79Å; E300-L304 WeakPolarHBondContact O-CD1 3.02Å; E300-L304 WeakPolarHBondContact O-CG 3.37Å; E300-L304 PolarHBondContact O-N 3.36Å
301	L	89.5	Confident	82.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-41.5	179.7	-174.7	59.6	0	0	0	111.9	L179 L182 L293 M297 N298 R303 L304 H305 P308 W311	L179-L301 HydrophobicContact CD2-CD1 3.9Å; L182-L301 HydrophobicContact CD1-CB 4.05Å; L182-L301 HydrophobicContact CD1-CD1 4.07Å; L293-L301 HydrophobicContact CD1-CD2 4.17Å; L293-L301 HydrophobicContact CD2-CD2 3.89Å; M297-L301 WeakPolarHBondContact O-CB 3.44Å; M297-L301 PolarHBondContact O-N 2.71Å; N298-L301 PolarHBondContact O-N 2.95Å; L301-R303 PolarHBondContact O-N 2.9Å; L301-L304 PolarHBondContact O-N 3.45Å; L301-H305 HydrophobicContact CD1-CB 3.76Å; L301-H305 HydrophobicContact CG-CB 4.43Å; L301-H305 PolarHBondContact O-N 3.24Å; L301-P308 HydrophobicContact CD2-CB 3.7Å; L301-P308 HydrophobicContact CG-CB 3.78Å; L301-P308 HydrophobicContact CG-CG 4.27Å; L301-W311 HydrophobicContact CD1-CB 4.33Å; L301-W311 HydrophobicContact CD1-CD2 3.58Å; L301-W311 HydrophobicContact CD1-CE3 3.7Å; L301-W311 HydrophobicContact CD1-CG 3.87Å; L301-W311 HydrophobicContact CD1-CZ3 4.29Å; L301-W311 HydrophobicContact CD2-CD2 4.19Å; L301-W311 HydrophobicContact CD2-CE3 3.48Å; L301-W311 VanDerWaalsContact CD2-CE3 3.48Å; L301-W311 HydrophobicContact CD2-CZ3 3.96Å; L301-W311 HydrophobicContact CG-CE3 4.27Å
302	L	85.5	Confident	83.9	Confident	67 Å²	67	34 Å²	34	35%	0.351	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-29.2	175.1	-77	170.1	0	0	0	113.5	N298 P308 I551	N298-L302 WeakPolarHBondContact O-CB 3.41Å; N298-L302 VanDerWaalsContact O-CG 3.26Å; N298-L302 WeakPolarHBondContact O-CG 2.86Å; N298-L302 PolarHBondContact O-N 2.88Å; N298-L302 VanDerWaalsContact OD1-CD1 3.22Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.48Å; N298-L302 WeakPolarHBondContact OD1-CG 3.36Å; L302-P308 HydrophobicContact CD2-CG 3.85Å; L302-P308 HydrophobicContact CG-CG 4.46Å; L302-I551 HydrophobicContact CD2-CD1 3.33Å; L302-I551 HydrophobicContact CD2-CG2 4.23Å
303	R	87.2	Confident	85.2	Confident	147 Å²	147	34.7 Å²	34.7	56%	0.555	17%	0.167	S	C	*	.	H	α-helix	trans	-80.6	-26.1	176.8	-174.9	-178.7	62.6	104.4	1.9	112.3	E299 E300 L301	E299-R303 PolarHBondContact O-N 3.41Å; E300-R303 PolarHBondContact O-N 3.48Å; L301-R303 PolarHBondContact O-N 2.9Å
304	L	91.1	Very high	86.3	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-107.6	-19.7	-169	-62.3	172.3	0	0	0	114	I174 R175 L179 L182 E300 L301	I174-L304 HydrophobicContact CG2-CD2 4.32Å; R175-L304 VanDerWaalsContact CD-O 3.26Å; R175-L304 WeakPolarHBondContact CD-O 3.43Å; R175-L304 HydrophobicContact CG-CB 4.45Å; R175-L304 WeakPolarHBondContact CG-O 3.5Å; L179-L304 HydrophobicContact CD2-CB 3.66Å; L179-L304 HydrophobicContact CG-CB 3.99Å; L182-L304 HydrophobicContact CD1-CD1 3.76Å; E300-L304 HydrophobicContact CG-CD1 3.79Å; E300-L304 WeakPolarHBondContact O-CD1 3.02Å; E300-L304 WeakPolarHBondContact O-CG 3.37Å; E300-L304 PolarHBondContact O-N 3.36Å; L301-L304 PolarHBondContact O-N 3.45Å
305	H	89.3	Confident	87.1	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.032	17%	0.166	C	C	.	.			trans	-134.4	132.9	-175	-151.9	-77	0	0	0	111.1	L179 L301 A307 P308 W311 Q458 D466 T468	L179-H305 HydrophobicContact CD2-CB 4.01Å; L301-H305 HydrophobicContact CD1-CB 3.76Å; L301-H305 HydrophobicContact CG-CB 4.43Å; L301-H305 PolarHBondContact O-N 3.24Å; H305-A307 VanDerWaalsContact ND1-C 3.31Å; H305-A307 PolarHBondContact ND1-N 2.93Å; H305-A307 VanDerWaalsContact ND1-N 3.17Å; H305-A307 PolarHBondContact ND1-O 3.15Å; H305-P308 WeakPolarHBondContact O-CD 3.36Å; H305-W311 AromaticContact CD2-CD1 3.44Å; H305-W311 VanDerWaalsContact CD2-CD1 3.44Å; H305-W311 AromaticContact CD2-CG 3.85Å; H305-W311 AromaticContact NE2-CD1 3.66Å; H305-Q458 PolarHBondContact CE1-OE1 3.43Å; H305-Q458 PolarHBondContact NE2-OE1 3.47Å; H305-D466 WeakPolarHBondContact CA-OD2 3.37Å; H305-D466 IonicContact CD2-OD1 2.95Å; H305-D466 IonicContact CE1-OD1 3.77Å; H305-D466 PolarHBondContact CE1-OD1 3Å; H305-D466 IonicContact CG-OD1 2.61Å; H305-D466 IonicContact ND1-OD1 2.71Å; H305-D466 IonicContact NE2-OD1 3.05Å; H305-T468 PolarHBondContact CE1-OG1 3.36Å; H305-T468 PolarHBondContact ND1-OG1 2.8Å
306	E	82.8	Confident	88.1	Confident	120 Å²	120	31 Å²	31	56%	0.561	15%	0.147	S	C	*	.	S	Bend	trans	-68.5	-39.9	177.9	179.7	-177.2	173.2	0	0	112.4	P308 D466 T468 Q469	E306-P308 VanDerWaalsContact C-CD 3.45Å; E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.48Å; E306-D466 PolarHBondContact N-OD2 3.46Å; E306-T468 HydrophobicContact CB-CG2 3.88Å; E306-T468 HydrophobicContact CG-CG2 3.95Å; E306-Q469 PolarHBondContact OE1-NE2 2.97Å; E306-Q469 WeakPolarHBondContact OE2-CG 3.42Å; E306-Q469 PolarHBondContact OE2-NE2 3.5Å
307	A	82.7	Confident	88.7	Confident	7 Å²	7	27 Å²	27	6%	0.058	13%	0.126	C	C	.	.	S	Bend	trans	-116.2	75.7	175.8	0	0	0	0	0	113.9	H305 Y309 V310 W311 T468	H305-A307 VanDerWaalsContact ND1-C 3.31Å; H305-A307 PolarHBondContact ND1-N 2.93Å; H305-A307 VanDerWaalsContact ND1-N 3.17Å; H305-A307 PolarHBondContact ND1-O 3.15Å; A307-Y309 VanDerWaalsContact C-N 3.25Å; A307-Y309 PolarHBondContact O-N 2.88Å; A307-Y309 VanDerWaalsContact O-N 3.1Å; A307-V310 HydrophobicContact CB-CB 4.19Å; A307-V310 HydrophobicContact CB-CG2 3.61Å; A307-V310 PolarHBondContact O-N 3.26Å; A307-V310 VanDerWaalsContact O-N 3.1Å; A307-W311 PolarHBondContact O-N 2.87Å; A307-T468 HydrophobicContact CB-CG2 3.64Å; A307-T468 PolarHBondContact N-OG1 3.1Å
308	P	85.6	Confident	89.2	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.019	14%	0.137	C	C	.	.	H	α-helix	trans	-50.5	-35.5	-176.6	-34.3	39.1	0	0	0	116.3	L293 L301 L302 H305 E306 W311 F312	L293-P308 HydrophobicContact CD1-CB 3.48Å; L293-P308 VanDerWaalsContact CD1-CB 3.48Å; L301-P308 HydrophobicContact CD2-CB 3.7Å; L301-P308 HydrophobicContact CG-CB 3.78Å; L301-P308 HydrophobicContact CG-CG 4.27Å; L302-P308 HydrophobicContact CD2-CG 3.85Å; L302-P308 HydrophobicContact CG-CG 4.46Å; H305-P308 WeakPolarHBondContact O-CD 3.36Å; E306-P308 VanDerWaalsContact C-CD 3.45Å; E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-W311 WeakPolarHBondContact O-CB 3.46Å; P308-W311 PolarHBondContact O-N 3.43Å; P308-F312 PolarHBondContact O-N 2.88Å
309	Y	82	Confident	90	Very high	14 Å²	14	28.1 Å²	28.1	6%	0.055	14%	0.136	C	C	.	.	H	α-helix	trans	-72.1	-36.7	-178.7	-58.7	-57.5	0	0	0	113.1	H291 L293 A307 W311 F312 A313 I551 N552	H291-Y309 HydrophobicContact CB-CD1 4.06Å; H291-Y309 HydrophobicContact CB-CD2 4.17Å; H291-Y309 HydrophobicContact CB-CE1 3.69Å; H291-Y309 HydrophobicContact CB-CE2 3.79Å; H291-Y309 HydrophobicContact CB-CG 4.25Å; H291-Y309 VanDerWaalsContact CB-CZ 3.49Å; H291-Y309 AromaticContact ND1-CD2 3.6Å; H291-Y309 AromaticContact ND1-CG 3.62Å; H291-Y309 WeakPolarHBondContact O-CE1 3.36Å; H291-Y309 PolarHBondContact O-OH 3.18Å; L293-Y309 HydrophobicContact CD1-CD1 3.98Å; L293-Y309 HydrophobicContact CD1-CE1 3.7Å; L293-Y309 HydrophobicContact CD2-CD1 3.97Å; L293-Y309 HydrophobicContact CD2-CE1 4.31Å; L293-Y309 HydrophobicContact CG-CD1 3.75Å; L293-Y309 HydrophobicContact CG-CE1 3.57Å; A307-Y309 VanDerWaalsContact C-N 3.25Å; A307-Y309 PolarHBondContact O-N 2.88Å; A307-Y309 VanDerWaalsContact O-N 3.1Å; Y309-W311 VanDerWaalsContact C-N 3.3Å; Y309-F312 PolarHBondContact O-N 3.36Å; Y309-A313 WeakPolarHBondContact O-CB 3.47Å; Y309-A313 PolarHBondContact O-N 2.84Å; Y309-I551 HydrophobicContact CE1-CG2 4.38Å; Y309-I551 HydrophobicContact CE2-CB 4.2Å; Y309-I551 HydrophobicContact CE2-CD1 4.47Å; Y309-I551 HydrophobicContact CE2-CG1 3.81Å; Y309-I551 HydrophobicContact CE2-CG2 4.05Å; Y309-I551 WeakPolarHBondContact OH-CA 3.18Å; Y309-I551 WeakPolarHBondContact OH-CB 3.5Å; Y309-I551 WeakPolarHBondContact OH-CG2 3.01Å; Y309-N552 PolarHBondContact OH-N 3.42Å; Y309-N552 VanDerWaalsContact OH-N 3.07Å
310	V	87.4	Confident	90.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-42.4	175.3	-169.5	0	0	0	0	109.4	A307 F312 A313 G314 Y454 E455 Q458 F478	A307-V310 HydrophobicContact CB-CB 4.19Å; A307-V310 HydrophobicContact CB-CG2 3.61Å; A307-V310 PolarHBondContact O-N 3.26Å; A307-V310 VanDerWaalsContact O-N 3.1Å; V310-F312 PolarHBondContact O-N 3.03Å; V310-A313 PolarHBondContact O-N 3.21Å; V310-G314 PolarHBondContact O-N 3.35Å; V310-Y454 HydrophobicContact CB-CE1 4.32Å; V310-Y454 HydrophobicContact CG1-CD1 3.59Å; V310-Y454 HydrophobicContact CG1-CE1 3.35Å; V310-Y454 HydrophobicContact CG2-CE1 4.22Å; V310-E455 HydrophobicContact CG1-CG 4.22Å; V310-Q458 HydrophobicContact CB-CG 4.22Å; V310-Q458 HydrophobicContact CG1-CG 3.55Å; V310-F478 HydrophobicContact CB-CE1 4.2Å; V310-F478 HydrophobicContact CG1-CD1 4.48Å; V310-F478 HydrophobicContact CG1-CE1 4.03Å; V310-F478 HydrophobicContact CG1-CE2 4.44Å; V310-F478 HydrophobicContact CG1-CZ 3.98Å; V310-F478 HydrophobicContact CG2-CD1 3.5Å; V310-F478 VanDerWaalsContact CG2-CD1 3.5Å; V310-F478 HydrophobicContact CG2-CE1 3.43Å; V310-F478 VanDerWaalsContact CG2-CE1 3.43Å; V310-F478 HydrophobicContact CG2-CG 4.39Å; V310-F478 HydrophobicContact CG2-CZ 4.23Å
311	W	92.4	Very high	91	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-57.4	-48.7	173.4	-179	89.4	0	0	0	111.6	L182 A183 L186 L301 H305 A307 P308 Y309 G314 Q315 H461	L182-W311 HydrophobicContact CB-CH2 3.82Å; L182-W311 HydrophobicContact CB-CZ2 3.83Å; A183-W311 HydrophobicContact CB-CH2 4.49Å; A183-W311 HydrophobicContact CB-CZ2 3.82Å; L186-W311 HydrophobicContact CB-CH2 4.39Å; L186-W311 HydrophobicContact CD2-CH2 3.99Å; L186-W311 HydrophobicContact CD2-CZ3 3.65Å; L301-W311 HydrophobicContact CD1-CB 4.33Å; L301-W311 HydrophobicContact CD1-CD2 3.58Å; L301-W311 HydrophobicContact CD1-CE3 3.7Å; L301-W311 HydrophobicContact CD1-CG 3.87Å; L301-W311 HydrophobicContact CD1-CZ3 4.29Å; L301-W311 HydrophobicContact CD2-CD2 4.19Å; L301-W311 HydrophobicContact CD2-CE3 3.48Å; L301-W311 VanDerWaalsContact CD2-CE3 3.48Å; L301-W311 HydrophobicContact CD2-CZ3 3.96Å; L301-W311 HydrophobicContact CG-CE3 4.27Å; H305-W311 AromaticContact CD2-CD1 3.44Å; H305-W311 VanDerWaalsContact CD2-CD1 3.44Å; H305-W311 AromaticContact CD2-CG 3.85Å; H305-W311 AromaticContact NE2-CD1 3.66Å; A307-W311 PolarHBondContact O-N 2.87Å; P308-W311 WeakPolarHBondContact O-CB 3.46Å; P308-W311 PolarHBondContact O-N 3.43Å; Y309-W311 VanDerWaalsContact C-N 3.3Å; W311-G314 PolarHBondContact O-N 2.92Å; W311-Q315 HydrophobicContact CD2-CG 4.16Å; W311-Q315 HydrophobicContact CE3-CG 4.06Å; W311-Q315 HydrophobicContact CH2-CG 3.75Å; W311-Q315 HydrophobicContact CZ2-CG 3.85Å; W311-Q315 HydrophobicContact CZ3-CG 3.86Å; W311-Q315 WeakPolarHBondContact O-CG 3.27Å; W311-Q315 PolarHBondContact O-N 3.23Å; W311-H461 AromaticContact CD1-NE2 3.55Å; W311-H461 AromaticContact CE2-NE2 3.77Å; W311-H461 AromaticContact NE1-CD2 3.46Å; W311-H461 PolarHBondContact NE1-CD2 3.44Å; W311-H461 AromaticContact NE1-CE1 3.79Å; W311-H461 AromaticContact NE1-NE2 2.8Å; W311-H461 PolarHBondContact NE1-NE2 3.06Å
312	F	91.6	Very high	91.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-46.8	179.5	-178	-104	0	0	0	112.1	L186 Q227 F230 L293 P294 P308 Y309 V310 G314 Q315 L316	L186-F312 HydrophobicContact CD1-CE2 3.95Å; L186-F312 HydrophobicContact CD2-CD2 3.49Å; L186-F312 VanDerWaalsContact CD2-CD2 3.49Å; L186-F312 HydrophobicContact CD2-CE2 3.65Å; L186-F312 HydrophobicContact CG-CE2 4.45Å; Q227-F312 HydrophobicContact CB-CE1 4.47Å; Q227-F312 HydrophobicContact CG-CE1 3.94Å; F230-F312 HydrophobicContact CD1-CZ 4.2Å; L293-F312 HydrophobicContact CD2-CB 3.52Å; L293-F312 HydrophobicContact CD2-CD1 4.48Å; L293-F312 HydrophobicContact CD2-CD2 4.12Å; L293-F312 HydrophobicContact CD2-CG 3.81Å; P294-F312 HydrophobicContact CG-CE2 4.01Å; P308-F312 PolarHBondContact O-N 2.88Å; Y309-F312 PolarHBondContact O-N 3.36Å; V310-F312 PolarHBondContact O-N 3.03Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 3.37Å; F312-Q315 WeakPolarHBondContact O-CB 3.47Å; F312-Q315 PolarHBondContact O-N 3.49Å; F312-L316 HydrophobicContact CD1-CD1 4.1Å; F312-L316 HydrophobicContact CD1-CG 4.43Å; F312-L316 HydrophobicContact CE1-CD1 3.72Å; F312-L316 HydrophobicContact CE1-CD2 4.32Å; F312-L316 HydrophobicContact CE1-CG 4.15Å; F312-L316 HydrophobicContact CZ-CD1 4.36Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.43Å; F312-L316 PolarHBondContact O-N 3.03Å
313	A	90.6	Very high	91.9	Very high	18 Å²	18	22.7 Å²	22.7	15%	0.149	11%	0.111	C	C	.	.	H	α-helix	trans	-55.9	-44.2	173.2	0	0	0	0	0	111.4	M223 Y309 V310 Q315 L316 A317 E455	M223-A313 HydrophobicContact CE-CB 3.82Å; M223-A313 WeakPolarHBondContact CE-O 3.26Å; Y309-A313 WeakPolarHBondContact O-CB 3.47Å; Y309-A313 PolarHBondContact O-N 2.84Å; V310-A313 PolarHBondContact O-N 3.21Å; A313-Q315 VanDerWaalsContact C-N 3.29Å; A313-Q315 PolarHBondContact O-N 3.05Å; A313-L316 WeakPolarHBondContact O-CB 3.35Å; A313-L316 PolarHBondContact O-N 3.32Å; A313-L316 VanDerWaalsContact O-N 3.09Å; A313-A317 PolarHBondContact O-N 2.87Å; A313-E455 HydrophobicContact CB-CG 4.04Å
314	G	95	Very high	92.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.1	-41.3	173	0	0	0	0	0	113.6	V310 W311 F312 A317 A318 E455 T459	V310-G314 PolarHBondContact O-N 3.35Å; W311-G314 PolarHBondContact O-N 2.92Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 3.37Å; G314-A317 PolarHBondContact O-N 3.38Å; G314-A318 VanDerWaalsContact O-CB 3.32Å; G314-A318 WeakPolarHBondContact O-CB 3.38Å; G314-A318 PolarHBondContact O-N 2.89Å; G314-E455 WeakPolarHBondContact CA-O 3.49Å; G314-T459 WeakPolarHBondContact O-CG2 3.21Å
315	Q	96.5	Very high	92.7	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-39.7	175.4	-62.2	-55.2	-46.1	0	0	112.5	L186 Q187 W311 F312 A313 A318 Y319 H461	L186-Q315 HydrophobicContact CD2-CB 3.7Å; L186-Q315 HydrophobicContact CD2-CG 3.92Å; L186-Q315 HydrophobicContact CG-CB 4.49Å; Q187-Q315 PolarHBondContact NE2-O 3.04Å; W311-Q315 HydrophobicContact CD2-CG 4.16Å; W311-Q315 HydrophobicContact CE3-CG 4.06Å; W311-Q315 HydrophobicContact CH2-CG 3.75Å; W311-Q315 HydrophobicContact CZ2-CG 3.85Å; W311-Q315 HydrophobicContact CZ3-CG 3.86Å; W311-Q315 WeakPolarHBondContact O-CG 3.27Å; W311-Q315 PolarHBondContact O-N 3.23Å; F312-Q315 WeakPolarHBondContact O-CB 3.47Å; F312-Q315 PolarHBondContact O-N 3.49Å; A313-Q315 VanDerWaalsContact C-N 3.29Å; A313-Q315 PolarHBondContact O-N 3.05Å; Q315-A318 PolarHBondContact O-N 3.24Å; Q315-Y319 PolarHBondContact O-N 3.12Å; Q315-H461 PolarHBondContact NE2-CE1 3.29Å; Q315-H461 PolarHBondContact NE2-NE2 3.35Å
316	L	95.7	Very high	93	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-47.1	174.6	-59.3	178.8	0	0	0	111.3	I190 M223 L226 Q227 F312 A313 A318 Y319 I320	I190-L316 HydrophobicContact CD1-CD2 3.98Å; M223-L316 HydrophobicContact CB-CB 4.33Å; M223-L316 HydrophobicContact CG-CB 4.27Å; L226-L316 HydrophobicContact CD2-CB 4.35Å; L226-L316 HydrophobicContact CD2-CD2 4.01Å; L226-L316 HydrophobicContact CG-CD2 4.12Å; Q227-L316 HydrophobicContact CB-CD1 3.86Å; F312-L316 HydrophobicContact CD1-CD1 4.1Å; F312-L316 HydrophobicContact CD1-CG 4.43Å; F312-L316 HydrophobicContact CE1-CD1 3.72Å; F312-L316 HydrophobicContact CE1-CD2 4.32Å; F312-L316 HydrophobicContact CE1-CG 4.15Å; F312-L316 HydrophobicContact CZ-CD1 4.36Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.43Å; F312-L316 PolarHBondContact O-N 3.03Å; A313-L316 WeakPolarHBondContact O-CB 3.35Å; A313-L316 PolarHBondContact O-N 3.32Å; A313-L316 VanDerWaalsContact O-N 3.09Å; L316-A318 VanDerWaalsContact C-N 3.32Å; L316-A318 PolarHBondContact O-N 3.13Å; L316-Y319 PolarHBondContact O-N 2.85Å; L316-I320 WeakPolarHBondContact O-CG1 3.5Å; L316-I320 PolarHBondContact O-N 3.46Å; L316-I320 VanDerWaalsContact O-N 3.08Å
317	A	96.5	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-43.8	176.9	0	0	0	0	0	111.5	M223 A313 G314 Y319 I320 L321 L452 L456	M223-A317 HydrophobicContact CE-CB 4.11Å; M223-A317 HydrophobicContact CG-CB 4.49Å; M223-A317 HydrophobicContact SD-CB 3.92Å; A313-A317 PolarHBondContact O-N 2.87Å; G314-A317 PolarHBondContact O-N 3.38Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 3.26Å; A317-I320 PolarHBondContact O-N 2.87Å; A317-L321 WeakPolarHBondContact O-CB 3.29Å; A317-L321 PolarHBondContact O-N 3.23Å; A317-L452 HydrophobicContact CB-CD1 3.82Å; A317-L456 HydrophobicContact CB-CD2 3.74Å; A317-L456 HydrophobicContact CB-CG 4.13Å
318	A	97.7	Very high	94.3	Very high	28 Å²	28	26.7 Å²	26.7	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-34.6	177.3	0	0	0	0	0	113.3	G314 Q315 L316 R322 L456 T459	G314-A318 VanDerWaalsContact O-CB 3.32Å; G314-A318 WeakPolarHBondContact O-CB 3.38Å; G314-A318 PolarHBondContact O-N 2.89Å; Q315-A318 PolarHBondContact O-N 3.24Å; L316-A318 VanDerWaalsContact C-N 3.32Å; L316-A318 PolarHBondContact O-N 3.13Å; A318-R322 WeakPolarHBondContact O-CG 3.37Å; A318-L456 HydrophobicContact CB-CD2 4.37Å; A318-T459 HydrophobicContact CB-CG2 4.04Å
319	Y	98.1	Very high	94.8	Very high	2 Å²	2	33 Å²	33	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175	-173	-93.7	0	0	0	111.9	I190 Q191 Q194 L226 L258 Q315 L316 A317 R322	I190-Y319 HydrophobicContact CB-CD2 4.18Å; I190-Y319 HydrophobicContact CB-CE2 4.23Å; I190-Y319 HydrophobicContact CG2-CD1 3.68Å; I190-Y319 HydrophobicContact CG2-CD2 3.68Å; I190-Y319 HydrophobicContact CG2-CE1 3.69Å; I190-Y319 HydrophobicContact CG2-CE2 3.7Å; I190-Y319 HydrophobicContact CG2-CG 3.68Å; Q191-Y319 HydrophobicContact CB-CE2 4.12Å; Q191-Y319 PolarHBondContact OE1-OH 3.26Å; Q194-Y319 HydrophobicContact CG-CE1 4.03Å; L226-Y319 HydrophobicContact CD2-CD1 3.92Å; L258-Y319 PolarHBondContact O-OH 2.95Å; Q315-Y319 PolarHBondContact O-N 3.12Å; L316-Y319 PolarHBondContact O-N 2.85Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 3.26Å; Y319-R322 WeakPolarHBondContact O-CG 3.5Å; Y319-R322 PolarHBondContact O-NE 3.38Å; Y319-R322 PolarHBondContact OH-NH2 2.97Å
320	I	97.1	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68	-47.2	178.8	-68.7	161.9	0	0	0	110.9	M219 L222 M223 L226 L251 L258 L316 A317 R322	M219-I320 HydrophobicContact CE-CB 4.22Å; M219-I320 HydrophobicContact CE-CG2 3.65Å; M219-I320 HydrophobicContact SD-CG2 4.08Å; L222-I320 HydrophobicContact CB-CD1 4.36Å; L222-I320 HydrophobicContact CD2-CB 4.29Å; L222-I320 HydrophobicContact CD2-CD1 3.82Å; L222-I320 HydrophobicContact CD2-CG1 3.93Å; L222-I320 HydrophobicContact CD2-CG2 3.38Å; L222-I320 HydrophobicContact CG-CD1 3.73Å; L222-I320 HydrophobicContact CG-CG1 4.25Å; L222-I320 HydrophobicContact CG-CG2 4.47Å; M223-I320 HydrophobicContact CB-CD1 4.31Å; M223-I320 HydrophobicContact CG-CD1 3.62Å; L226-I320 HydrophobicContact CD2-CD1 4.07Å; L226-I320 HydrophobicContact CD2-CG1 3.91Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å; L258-I320 HydrophobicContact CD2-CB 4.42Å; L258-I320 HydrophobicContact CD2-CG1 3.93Å; L316-I320 WeakPolarHBondContact O-CG1 3.5Å; L316-I320 PolarHBondContact O-N 3.46Å; L316-I320 VanDerWaalsContact O-N 3.08Å; A317-I320 PolarHBondContact O-N 2.87Å; I320-R322 PolarHBondContact O-N 3.47Å
321	L	96.8	Very high	95.8	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	24.7	-171.5	-68.8	174.6	0	0	0	114.2	M219 W250 A317 P323 L456	M219-L321 HydrophobicContact CE-CD1 3.85Å; M219-L321 HydrophobicContact CE-CD2 3.91Å; M219-L321 HydrophobicContact CE-CG 3.67Å; M219-L321 HydrophobicContact SD-CD2 3.92Å; M219-L321 HydrophobicContact SD-CG 4.36Å; W250-L321 HydrophobicContact CH2-CD2 4.32Å; W250-L321 HydrophobicContact CZ3-CD2 4.31Å; A317-L321 WeakPolarHBondContact O-CB 3.29Å; A317-L321 PolarHBondContact O-N 3.23Å; L321-P323 WeakPolarHBondContact O-CD 3.04Å; L321-L456 HydrophobicContact CD1-CD1 3.93Å; L321-L456 HydrophobicContact CD1-CD2 4.45Å
322	R	97.6	Very high	95.9	Very high	47 Å²	47	40.2 Å²	40.2	18%	0.177	21%	0.212	C	C	.	.			trans	-62.1	107.9	174.3	-70.1	178.3	-66.1	170.3	1.8	109.3	T255 L256 P257 A318 Y319 I320	T255-R322 CarbonylContact C-O 3.49Å; T255-R322 WeakPolarHBondContact CA-O 3.26Å; T255-R322 WeakPolarHBondContact CB-O 2.99Å; L256-R322 HydrophobicContact CB-CB 4.08Å; L256-R322 HydrophobicContact CD1-CB 4.03Å; L256-R322 HydrophobicContact CG-CB 4.15Å; L256-R322 PolarHBondContact N-O 2.84Å; P257-R322 PolarHBondContact O-NH2 3.32Å; A318-R322 WeakPolarHBondContact O-CG 3.37Å; Y319-R322 WeakPolarHBondContact O-CG 3.5Å; Y319-R322 PolarHBondContact O-NE 3.38Å; Y319-R322 PolarHBondContact OH-NH2 2.97Å; I320-R322 PolarHBondContact O-N 3.47Å
323	P	97.2	Very high	96.1	Very high	49 Å²	49	43.2 Å²	43.2	32%	0.318	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-78.7	144.6	-169.8	32.3	-34.2	0	0	0	111.2	L321 F327 I331	L321-P323 WeakPolarHBondContact O-CD 3.04Å; P323-F327 HydrophobicContact CB-CD1 3.95Å; P323-I331 HydrophobicContact CB-CD1 4.02Å; P323-I331 HydrophobicContact CG-CD1 4.32Å
324	K	97.6	Very high	96.2	Very high	65 Å²	65	43.2 Å²	43.2	28%	0.283	24%	0.236	S	C	.	.			trans	-68.1	157.8	163.2	-68.3	-169.5	-163	166.3	0	110.2	H252 Q253 N254 T255 L256 K326 F327 S328	H252-K324 WeakPolarHBondContact O-CE 3.29Å; H252-K324 PolarHBondContact O-NZ 3.45Å; Q253-K324 WeakPolarHBondContact O-CD 3.22Å; Q253-K324 PolarHBondContact O-NZ 3.42Å; N254-K324 PolarHBondContact O-N 3.23Å; T255-K324 WeakPolarHBondContact O-CE 3.4Å; L256-K324 HydrophobicContact CD2-CG 4.21Å; K324-K326 PolarHBondContact O-N 2.83Å; K324-F327 PolarHBondContact O-N 2.71Å; K324-F327 VanDerWaalsContact O-N 3.08Å; K324-S328 PolarHBondContact O-N 2.85Å
325	P	97.3	Very high	96.2	Very high	99 Å²	99	44.1 Å²	44.1	64%	0.643	24%	0.24	S	C	*	.	H	α-helix	trans	-50.4	-47.7	-175.3	-30.8	36.2	0	0	0	114.8	F327 S328 E329	P325-F327 VanDerWaalsContact C-N 3.34Å; P325-F327 PolarHBondContact O-N 2.03Å; P325-S328 WeakPolarHBondContact O-CB 3.37Å; P325-S328 PolarHBondContact O-N 2.94Å; P325-E329 PolarHBondContact O-N 3.22Å
326	K	95.5	Very high	96.1	Very high	169 Å²	169	51.1 Å²	51.1	74%	0.735	27%	0.27	S	S	*	.	H	α-helix	trans	-59.3	-41.3	179.9	-175.4	178.7	-179.9	-179.6	0	113.1	K324	K324-K326 PolarHBondContact O-N 2.83Å
327	F	95.9	Very high	95.9	Very high	4 Å²	4	54 Å²	54	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-75.7	-34.4	178.8	-171.6	-118.2	0	0	0	111.5	W250 N254 P323 K324 P325 E329 L330 I331 N426 V429 I430	W250-F327 HydrophobicContact CH2-CE1 4.03Å; W250-F327 HydrophobicContact CH2-CZ 4.33Å; W250-F327 HydrophobicContact CZ2-CD1 4.33Å; W250-F327 AromaticContact CZ2-CE1 3.67Å; W250-F327 HydrophobicContact CZ2-CE1 3.67Å; W250-F327 HydrophobicContact CZ2-CE2 4.09Å; W250-F327 AromaticContact CZ2-CZ 3.58Å; W250-F327 HydrophobicContact CZ2-CZ 3.58Å; N254-F327 HydrophobicContact CB-CB 4.02Å; N254-F327 HydrophobicContact CB-CD1 4.09Å; N254-F327 HydrophobicContact CB-CD2 4.28Å; N254-F327 HydrophobicContact CB-CG 3.87Å; P323-F327 HydrophobicContact CB-CD1 3.95Å; K324-F327 PolarHBondContact O-N 2.71Å; K324-F327 VanDerWaalsContact O-N 3.08Å; P325-F327 VanDerWaalsContact C-N 3.34Å; P325-F327 PolarHBondContact O-N 2.03Å; F327-E329 VanDerWaalsContact C-N 3.27Å; F327-E329 PolarHBondContact O-N 2.94Å; F327-L330 HydrophobicContact CD2-CD1 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.43Å; F327-L330 PolarHBondContact O-N 3.23Å; F327-L330 VanDerWaalsContact O-N 3.14Å; F327-I331 HydrophobicContact CD1-CD1 3.65Å; F327-I331 HydrophobicContact CD1-CG1 4.35Å; F327-I331 HydrophobicContact CE1-CD1 3.52Å; F327-I331 HydrophobicContact CE1-CG1 4.02Å; F327-I331 HydrophobicContact CG-CD1 4.44Å; F327-I331 HydrophobicContact CZ-CD1 4.21Å; F327-I331 HydrophobicContact CZ-CG1 4.21Å; F327-I331 WeakPolarHBondContact O-CG1 3.44Å; F327-I331 PolarHBondContact O-N 3.26Å; F327-I331 VanDerWaalsContact O-N 3.08Å; F327-N426 HydrophobicContact CE2-CB 4.34Å; F327-V429 HydrophobicContact CE1-CB 4.44Å; F327-V429 HydrophobicContact CE1-CG1 3.7Å; F327-V429 HydrophobicContact CZ-CB 3.95Å; F327-V429 HydrophobicContact CZ-CG1 3.68Å; F327-I430 HydrophobicContact CE2-CD1 4.18Å; F327-I430 HydrophobicContact CE2-CG1 4.04Å; F327-I430 HydrophobicContact CZ-CG1 3.99Å
328	S	96.7	Very high	95.6	Very high	36 Å²	36	54 Å²	54	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-37.8	172.8	-171.4	0	0	0	0	112.4	K324 P325 L330 I331 N332	K324-S328 PolarHBondContact O-N 2.85Å; P325-S328 WeakPolarHBondContact O-CB 3.37Å; P325-S328 PolarHBondContact O-N 2.94Å; S328-L330 PolarHBondContact O-N 3.47Å; S328-I331 PolarHBondContact O-N 3.45Å; S328-N332 VanDerWaalsContact O-CB 3.32Å; S328-N332 WeakPolarHBondContact O-CB 3.48Å; S328-N332 PolarHBondContact O-N 3.03Å; S328-N332 PolarHBondContact O-ND2 2.92Å; S328-N332 PolarHBondContact OG-ND2 3.49Å
329	E	96.3	Very high	95.2	Very high	135 Å²	135	56.1 Å²	56.1	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-60.7	-43	174.4	-71.3	171.5	-171.5	0	0	112.7	P325 F327 N332 A333	P325-E329 PolarHBondContact O-N 3.22Å; F327-E329 VanDerWaalsContact C-N 3.27Å; F327-E329 PolarHBondContact O-N 2.94Å; E329-N332 PolarHBondContact O-N 2.82Å; E329-A333 WeakPolarHBondContact O-CB 3.33Å; E329-A333 PolarHBondContact O-N 3.34Å
330	L	93.7	Very high	94.5	Very high	84 Å²	84	60.2 Å²	60.2	44%	0.44	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-41.8	177.8	-64.3	174.4	0	0	0	112	F327 S328 T334 I430	F327-L330 HydrophobicContact CD2-CD1 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.43Å; F327-L330 PolarHBondContact O-N 3.23Å; F327-L330 VanDerWaalsContact O-N 3.14Å; S328-L330 PolarHBondContact O-N 3.47Å; L330-T334 PolarHBondContact O-N 3.23Å; L330-T334 PolarHBondContact O-OG1 3.07Å; L330-I430 HydrophobicContact CB-CD1 4.09Å
331	I	95.6	Very high	93.8	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-52.4	173.4	-67.4	161.3	0	0	0	109.6	P323 F327 S328 A333 T334 L335 I430 I433	P323-I331 HydrophobicContact CB-CD1 4.02Å; P323-I331 HydrophobicContact CG-CD1 4.32Å; F327-I331 HydrophobicContact CD1-CD1 3.65Å; F327-I331 HydrophobicContact CD1-CG1 4.35Å; F327-I331 HydrophobicContact CE1-CD1 3.52Å; F327-I331 HydrophobicContact CE1-CG1 4.02Å; F327-I331 HydrophobicContact CG-CD1 4.44Å; F327-I331 HydrophobicContact CZ-CD1 4.21Å; F327-I331 HydrophobicContact CZ-CG1 4.21Å; F327-I331 WeakPolarHBondContact O-CG1 3.44Å; F327-I331 PolarHBondContact O-N 3.26Å; F327-I331 VanDerWaalsContact O-N 3.08Å; S328-I331 PolarHBondContact O-N 3.45Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.5Å; I331-T334 WeakPolarHBondContact O-CB 3.49Å; I331-T334 PolarHBondContact O-N 3.29Å; I331-L335 HydrophobicContact CG2-CD1 3.82Å; I331-L335 HydrophobicContact CG2-CG 4.1Å; I331-L335 WeakPolarHBondContact O-CG 3.47Å; I331-L335 PolarHBondContact O-N 2.68Å; I331-I430 HydrophobicContact CG1-CG1 4.33Å; I331-I433 HydrophobicContact CD1-CD1 3.46Å; I331-I433 VanDerWaalsContact CD1-CD1 3.46Å; I331-I433 HydrophobicContact CG1-CD1 3.94Å; I331-I433 HydrophobicContact CG2-CG2 3.66Å
332	N	95.9	Very high	93.1	Very high	73 Å²	73	65.4 Å²	65.4	39%	0.39	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-35.4	-177	-74.6	-34	0	0	0	112.6	S328 E329 T334 L335 K336	S328-N332 VanDerWaalsContact O-CB 3.32Å; S328-N332 WeakPolarHBondContact O-CB 3.48Å; S328-N332 PolarHBondContact O-N 3.03Å; S328-N332 PolarHBondContact O-ND2 2.92Å; S328-N332 PolarHBondContact OG-ND2 3.49Å; E329-N332 PolarHBondContact O-N 2.82Å; N332-T334 VanDerWaalsContact C-N 3.32Å; N332-T334 PolarHBondContact O-N 3.46Å; N332-L335 PolarHBondContact O-N 3.31Å; N332-K336 WeakPolarHBondContact O-CB 3.4Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.16Å; N332-K336 PolarHBondContact O-N 2.94Å
333	A	94.3	Very high	92.4	Very high	65 Å²	65	65.1 Å²	65.1	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-42	173.4	0	0	0	0	0	111.8	E329 I331	E329-A333 WeakPolarHBondContact O-CB 3.33Å; E329-A333 PolarHBondContact O-N 3.34Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 3.5Å
334	T	93.8	Very high	91.9	Very high	18 Å²	18	64.8 Å²	64.8	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-69	-43.7	175.6	-62.4	0	0	0	0	111.6	L330 I331 N332 K336 S337 F338 Y383 R410 I430 A434	L330-T334 PolarHBondContact O-N 3.23Å; L330-T334 PolarHBondContact O-OG1 3.07Å; I331-T334 WeakPolarHBondContact O-CB 3.49Å; I331-T334 PolarHBondContact O-N 3.29Å; N332-T334 VanDerWaalsContact C-N 3.32Å; N332-T334 PolarHBondContact O-N 3.46Å; T334-K336 VanDerWaalsContact C-N 3.34Å; T334-K336 PolarHBondContact O-N 3.37Å; T334-S337 WeakPolarHBondContact O-CB 3.38Å; T334-S337 PolarHBondContact O-N 2.88Å; T334-S337 PolarHBondContact O-OG 3.12Å; T334-F338 WeakPolarHBondContact O-CD1 3.43Å; T334-Y383 HydrophobicContact CG2-CE2 3.92Å; T334-R410 PolarHBondContact OG1-NH1 3.46Å; T334-I430 HydrophobicContact CG2-CG2 3.84Å; T334-I430 VanDerWaalsContact OG1-CG2 3.32Å; T334-I430 WeakPolarHBondContact OG1-CG2 3.32Å; T334-A434 HydrophobicContact CG2-CB 4.04Å
335	L	95.2	Very high	91.6	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-39.2	179.8	-65.1	-178.4	0	0	0	112.3	I331 N332 S337 F338 K339 A434 M437	I331-L335 HydrophobicContact CG2-CD1 3.82Å; I331-L335 HydrophobicContact CG2-CG 4.1Å; I331-L335 WeakPolarHBondContact O-CG 3.47Å; I331-L335 PolarHBondContact O-N 2.68Å; N332-L335 PolarHBondContact O-N 3.31Å; L335-S337 PolarHBondContact O-N 2.78Å; L335-F338 HydrophobicContact CD2-CE1 3.82Å; L335-F338 HydrophobicContact CD2-CZ 3.6Å; L335-F338 PolarHBondContact O-N 3.25Å; L335-K339 VanDerWaalsContact O-CB 3.28Å; L335-K339 WeakPolarHBondContact O-CB 3.09Å; L335-K339 WeakPolarHBondContact O-CG 3.37Å; L335-K339 PolarHBondContact O-N 2.85Å; L335-A434 HydrophobicContact CD2-CB 4.32Å; L335-M437 HydrophobicContact CD1-CE 3.93Å; L335-M437 HydrophobicContact CD1-CG 4.28Å; L335-M437 HydrophobicContact CD2-CB 3.59Å; L335-M437 HydrophobicContact CD2-CG 3.82Å
336	K	94.3	Very high	91.4	Very high	153 Å²	153	57.9 Å²	57.9	67%	0.665	34%	0.338	S	S	*	.	H	α-helix	trans	-60.2	-29.1	176.7	-79.1	175.4	-179.4	-179.8	0	112.8	N332 T334 F338 A340	N332-K336 WeakPolarHBondContact O-CB 3.4Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.16Å; N332-K336 PolarHBondContact O-N 2.94Å; T334-K336 VanDerWaalsContact C-N 3.34Å; T334-K336 PolarHBondContact O-N 3.37Å; K336-F338 VanDerWaalsContact C-N 3.29Å; K336-F338 PolarHBondContact O-N 3.2Å; K336-A340 WeakPolarHBondContact O-CB 3.1Å; K336-A340 PolarHBondContact O-N 3.5Å
337	S	91.2	Very high	91.3	Very high	62 Å²	62	49.8 Å²	49.8	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-35.8	-176.7	78.6	0	0	0	0	112.7	T334 L335 Y405	T334-S337 WeakPolarHBondContact O-CB 3.38Å; T334-S337 PolarHBondContact O-N 2.88Å; T334-S337 PolarHBondContact O-OG 3.12Å; L335-S337 PolarHBondContact O-N 2.78Å; S337-Y405 WeakPolarHBondContact O-CE1 3.45Å
338	F	90	Very high	91.2	Very high	2 Å²	2	50 Å²	50	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-112.2	-24.2	-177.3	69.8	-94.4	0	0	0	114.2	T334 L335 K336 S341 V345 Y383 Y405 A434 M437 T438	T334-F338 WeakPolarHBondContact O-CD1 3.43Å; L335-F338 HydrophobicContact CD2-CE1 3.82Å; L335-F338 HydrophobicContact CD2-CZ 3.6Å; L335-F338 PolarHBondContact O-N 3.25Å; K336-F338 VanDerWaalsContact C-N 3.29Å; K336-F338 PolarHBondContact O-N 3.2Å; F338-S341 PolarHBondContact O-OG 2.72Å; F338-V345 HydrophobicContact CB-CG2 4.28Å; F338-V345 HydrophobicContact CD2-CB 4.13Å; F338-V345 HydrophobicContact CD2-CG1 4.1Å; F338-V345 HydrophobicContact CD2-CG2 3.96Å; F338-Y383 AromaticContact CD1-CD2 3.65Å; F338-Y383 HydrophobicContact CD1-CD2 3.65Å; F338-Y383 HydrophobicContact CD1-CE2 4.07Å; F338-Y383 AromaticContact CE1-CD2 3.8Å; F338-Y383 HydrophobicContact CE1-CD2 3.8Å; F338-Y383 AromaticContact CE1-CE2 3.99Å; F338-Y383 HydrophobicContact CE1-CE2 3.99Å; F338-Y383 HydrophobicContact CG-CD2 4.33Å; F338-Y405 HydrophobicContact CB-CD1 3.78Å; F338-Y405 HydrophobicContact CB-CD2 3.5Å; F338-Y405 HydrophobicContact CB-CE1 4.07Å; F338-Y405 HydrophobicContact CB-CE2 3.79Å; F338-Y405 HydrophobicContact CB-CG 3.49Å; F338-Y405 VanDerWaalsContact CB-CG 3.49Å; F338-A434 HydrophobicContact CE1-CB 3.97Å; F338-A434 HydrophobicContact CZ-CB 4.29Å; F338-M437 HydrophobicContact CZ-CB 4.24Å; F338-T438 HydrophobicContact CE2-CG2 4.25Å
339	K	88.3	Confident	90.9	Very high	72 Å²	72	49.1 Å²	49.1	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-79.9	-20.1	177.2	-68.7	-159.9	169.8	-163.4	0	114.1	L335 S341 G342 M437 E463	L335-K339 VanDerWaalsContact O-CB 3.28Å; L335-K339 WeakPolarHBondContact O-CB 3.09Å; L335-K339 WeakPolarHBondContact O-CG 3.37Å; L335-K339 PolarHBondContact O-N 2.85Å; K339-S341 PolarHBondContact O-N 2.76Å; K339-G342 PolarHBondContact O-N 3.15Å; K339-M437 WeakPolarHBondContact CE-O 3.39Å; K339-M437 PolarHBondContact NZ-O 3.37Å; K339-E463 IonicContact NZ-OE2 3.69Å
340	A	85.2	Confident	90.5	Very high	88 Å²	88	43.9 Å²	43.9	73%	0.727	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24	-174.9	0	0	0	0	0	114.1	K336 G342	K336-A340 WeakPolarHBondContact O-CB 3.1Å; K336-A340 PolarHBondContact O-N 3.5Å; A340-G342 VanDerWaalsContact C-N 3.32Å
341	S	80.6	Confident	89.9	Confident	54 Å²	54	42 Å²	42	38%	0.378	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.6	177.5	57.2	0	0	0	0	112.9	F338 K339 D343	F338-S341 PolarHBondContact O-OG 2.72Å; K339-S341 PolarHBondContact O-N 2.76Å; S341-D343 PolarHBondContact O-N 3.46Å; S341-D343 PolarHBondContact OG-N 2.95Å
342	G	82.2	Confident	89	Confident	69 Å²	69	44.1 Å²	44.1	71%	0.711	27%	0.267	S	S	*	.			trans	68.3	0.2	-166.6	0	0	0	0	0	114.1	K339 A340	K339-G342 PolarHBondContact O-N 3.15Å; A340-G342 VanDerWaalsContact C-N 3.32Å
343	D	83	Confident	87.3	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.219	27%	0.266	C	S	.	.			trans	-74.4	145.5	174.9	-72.7	-47.9	0	0	0	109.9	S341 V345	S341-D343 PolarHBondContact O-N 3.46Å; S341-D343 PolarHBondContact OG-N 2.95Å; D343-V345 WeakPolarHBondContact O-CG2 3.42Å; D343-V345 PolarHBondContact O-N 3.08Å
344	P	88	Confident	85.3	Confident	42 Å²	42	43.8 Å²	43.8	27%	0.273	26%	0.258	S	S	.	.			trans	-60.9	134.7	174.3	-21.6	32.8	0	0	0	111.6	D439	P344-D439 VanDerWaalsContact CA-OD2 3.28Å; P344-D439 WeakPolarHBondContact CA-OD2 3.15Å; P344-D439 HydrophobicContact CB-CB 4.45Å
345	V	91.3	Very high	83.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.5	179.4	-175.6	0	0	0	0	109.9	F338 D343 S381 Y405 T438 D439	F338-V345 HydrophobicContact CB-CG2 4.28Å; F338-V345 HydrophobicContact CD2-CB 4.13Å; F338-V345 HydrophobicContact CD2-CG1 4.1Å; F338-V345 HydrophobicContact CD2-CG2 3.96Å; D343-V345 WeakPolarHBondContact O-CG2 3.42Å; D343-V345 PolarHBondContact O-N 3.08Å; V345-S381 WeakPolarHBondContact CA-O 3.38Å; V345-Y405 HydrophobicContact CG1-CD2 4.38Å; V345-Y405 HydrophobicContact CG2-CE2 4.41Å; V345-T438 HydrophobicContact CG1-CG2 4.25Å; V345-T438 WeakPolarHBondContact O-CB 3.44Å; V345-D439 PolarHBondContact N-OD2 3.47Å; V345-D439 PolarHBondContact O-N 2.94Å
346	V	91.5	Very high	81.1	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.8	172.3	-178.1	0	0	0	0	109.2	V348 I370 S381 V382 Y383 F440 V442	V346-V348 HydrophobicContact CG1-CG2 4.14Å; V346-I370 HydrophobicContact CG2-CD1 3.55Å; V346-I370 HydrophobicContact CG2-CG1 3.93Å; V346-I370 HydrophobicContact CG2-CG2 4.4Å; V346-S381 PolarHBondContact N-O 3Å; V346-V382 CarbonylContact O-C 3.59Å; V346-V382 VanDerWaalsContact O-CA 3.28Å; V346-V382 WeakPolarHBondContact O-CA 3.36Å; V346-Y383 PolarHBondContact O-N 3.14Å; V346-F440 CarbonylContact C-O 3.51Å; V346-F440 WeakPolarHBondContact CA-O 3.48Å; V346-F440 HydrophobicContact CG1-CD1 4.44Å; V346-F440 HydrophobicContact CG2-CB 4.49Å; V346-V442 HydrophobicContact CG1-CG2 3.89Å
347	G	94.7	Very high	78.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.8	169.9	0	0	0	0	0	110	Y383 T438 F440 L441 V442	G347-Y383 CarbonylContact C-O 3.49Å; G347-Y383 WeakPolarHBondContact CA-O 3.28Å; G347-T438 WeakPolarHBondContact CA-OG1 3.45Å; G347-T438 PolarHBondContact N-OG1 3.24Å; G347-F440 PolarHBondContact N-O 3.48Å; G347-L441 CarbonylContact O-C 3.57Å; G347-L441 WeakPolarHBondContact O-CA 3.37Å; G347-V442 PolarHBondContact O-N 2.95Å
348	V	92.5	Very high	76.5	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.1	176.5	179	0	0	0	0	108.4	V346 I350 L362 V382 Y383 L384 A385 V442	V346-V348 HydrophobicContact CG1-CG2 4.14Å; V348-I350 HydrophobicContact CG1-CD1 4.09Å; V348-I350 HydrophobicContact CG1-CG1 3.84Å; V348-L362 HydrophobicContact CG1-CD1 3.97Å; V348-L362 HydrophobicContact CG1-CD2 4.42Å; V348-V382 HydrophobicContact CB-CG1 3.93Å; V348-V382 HydrophobicContact CG2-CG1 3.61Å; V348-Y383 PolarHBondContact N-O 2.87Å; V348-L384 HydrophobicContact CB-CD1 4.27Å; V348-L384 HydrophobicContact CG1-CD1 4.07Å; V348-L384 WeakPolarHBondContact O-CA 3.36Å; V348-A385 PolarHBondContact O-N 3.16Å; V348-V442 WeakPolarHBondContact CA-O 3.49Å; V348-V442 HydrophobicContact CG2-CB 4.36Å
349	H	92.4	Very high	74.1	Confident	17 Å²	17	52.5 Å²	52.5	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.3	175.2	168.6	-86	0	0	0	110.7	A385 L435 V442 C443 S447 I449	H349-A385 WeakPolarHBondContact CA-O 3.49Å; H349-L435 HydrophobicContact CB-CD1 3.84Å; H349-L435 HydrophobicContact CB-CD2 4.24Å; H349-V442 PolarHBondContact N-O 2.88Å; H349-C443 HydrophobicContact CB-CB 3.9Å; H349-S447 PolarHBondContact CE1-OG 2.9Å; H349-I449 WeakPolarHBondContact NE2-CG2 3.28Å
350	I	87.6	Confident	71.6	Confident	24 Å²	24	57.2 Å²	57.2	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.1	179.5	-52.5	-167.3	0	0	0	108.7	V348 R352 L362 L384 A385 T386 V391	V348-I350 HydrophobicContact CG1-CD1 4.09Å; V348-I350 HydrophobicContact CG1-CG1 3.84Å; I350-R352 HydrophobicContact CG2-CG 4.17Å; I350-L362 HydrophobicContact CD1-CD1 4.29Å; I350-L362 HydrophobicContact CD1-CD2 3.78Å; I350-L384 HydrophobicContact CD1-CD1 4.13Å; I350-L384 HydrophobicContact CG1-CD1 4.11Å; I350-A385 PolarHBondContact N-O 3.46Å; I350-T386 VanDerWaalsContact O-CA 3.22Å; I350-T386 WeakPolarHBondContact O-CA 3.49Å; I350-T386 PolarHBondContact O-OG1 3.39Å; I350-V391 HydrophobicContact CD1-CG1 3.76Å
351	R	79.9	Confident	69.7	Low	45 Å²	45	58.1 Å²	58.1	17%	0.17	33%	0.325	C	S	.	.			trans	-113.3	122.6	174.7	179	170.2	-179.3	145.5	5.9	109.3	D354 K355 D387 S447	R351-D354 IonicContact CZ-OD1 3.65Å; R351-D354 IonicContact CZ-OD2 3.5Å; R351-D354 IonicContact NE-OD1 3.88Å; R351-D354 PolarHBondContact NE-OD1 3.27Å; R351-D354 VanDerWaalsContact NH2-CG 3.3Å; R351-D354 IonicContact NH2-OD1 3.77Å; R351-D354 PolarHBondContact NH2-OD1 2.86Å; R351-D354 IonicContact NH2-OD2 2.71Å; R351-D354 PolarHBondContact NH2-OD2 3.07Å; R351-K355 HydrophobicContact CG-CB 4.19Å; R351-K355 HydrophobicContact CG-CD 4.4Å; R351-K355 HydrophobicContact CG-CG 4.36Å; R351-D387 WeakPolarHBondContact CA-OD1 3.03Å; R351-S447 PolarHBondContact NH1-OG 3.2Å
352	R	77.2	Confident	67.9	Low	56 Å²	56	57.5 Å²	57.5	21%	0.211	32%	0.317	C	S	.	.			trans	-119.3	-61.3	-177.3	-76	-173.6	173.3	173.3	2.3	113.3	I350 D354 K355 D387 D388	I350-R352 HydrophobicContact CG2-CG 4.17Å; R352-D354 VanDerWaalsContact C-N 3.27Å; R352-D354 PolarHBondContact O-N 3.41Å; R352-K355 CarbonylContact C-O 3.57Å; R352-K355 WeakPolarHBondContact CA-O 3.43Å; R352-K355 CarbonylContact O-C 3.5Å; R352-K355 PolarHBondContact O-N 3.06Å; R352-D387 PolarHBondContact N-OD1 2.94Å; R352-D387 PolarHBondContact N-OD2 3.47Å; R352-D388 HydrophobicContact CB-CB 4.35Å; R352-D388 VanDerWaalsContact CD-OD2 3.27Å; R352-D388 WeakPolarHBondContact CD-OD2 3.39Å; R352-D388 IonicContact CZ-OD2 3.73Å; R352-D388 IonicContact NE-OD2 2.8Å; R352-D388 IonicContact NH1-OD2 3.96Å; R352-D388 PolarHBondContact NH1-OD2 2.81Å
353	T	59.6	Low	65.6	Low	59 Å²	59	57.6 Å²	57.6	36%	0.362	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.4	-156.6	58.4	0	0	0	0	115.2	D387	T353-D387 WeakPolarHBondContact CB-OD2 3.28Å; T353-D387 HydrophobicContact CG2-CB 4.33Å; T353-D387 PolarHBondContact N-OD2 2.9Å; T353-D387 PolarHBondContact OG1-OD2 3.32Å
354	D	52.7	Low	63.2	Low	72 Å²	72	59.8 Å²	59.8	39%	0.385	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	3.3	177.1	70.1	-13.8	0	0	0	114.1	R351 R352 V416 R419	R351-D354 IonicContact CZ-OD1 3.65Å; R351-D354 IonicContact CZ-OD2 3.5Å; R351-D354 IonicContact NE-OD1 3.88Å; R351-D354 PolarHBondContact NE-OD1 3.27Å; R351-D354 VanDerWaalsContact NH2-CG 3.3Å; R351-D354 IonicContact NH2-OD1 3.77Å; R351-D354 PolarHBondContact NH2-OD1 2.86Å; R351-D354 IonicContact NH2-OD2 2.71Å; R351-D354 PolarHBondContact NH2-OD2 3.07Å; R352-D354 VanDerWaalsContact C-N 3.27Å; R352-D354 PolarHBondContact O-N 3.41Å; D354-V416 HydrophobicContact CB-CG2 4.38Å; D354-R419 IonicContact OD2-NH1 3.17Å; D354-R419 PolarHBondContact OD2-NH1 3.2Å
355	K	54.1	Low	60.9	Low	62 Å²	62	59.6 Å²	59.6	27%	0.27	33%	0.333	S	S	.	.	S	Bend	trans	-142.3	95.4	179	-61	-163.9	-175.7	-163.8	0	109.5	R351 R352 L357 S446	R351-K355 HydrophobicContact CG-CB 4.19Å; R351-K355 HydrophobicContact CG-CD 4.4Å; R351-K355 HydrophobicContact CG-CG 4.36Å; R352-K355 CarbonylContact C-O 3.57Å; R352-K355 WeakPolarHBondContact CA-O 3.43Å; R352-K355 CarbonylContact O-C 3.5Å; R352-K355 PolarHBondContact O-N 3.06Å; K355-L357 PolarHBondContact O-N 2.03Å; K355-S446 PolarHBondContact NZ-O 2.99Å
356	D	46.8	Very low	58.2	Low	162 Å²	162	62.3 Å²	62.3	87%	0.866	35%	0.352	S	S	*	.			trans	-60.3	97.9	178.6	-76.1	-32.6	0	0	0	111.7
357	L	46.8	Very low	55.6	Low	40 Å²	40	65.9 Å²	65.9	21%	0.209	37%	0.368	C	S	.	.			trans	-112.1	110.2	167.3	-73.4	162.9	0	0	0	108.5	K355 G359 T444	K355-L357 PolarHBondContact O-N 2.03Å; L357-G359 PolarHBondContact O-N 2.94Å; L357-G359 VanDerWaalsContact O-N 3.17Å; L357-T444 HydrophobicContact CD1-CG2 3.39Å; L357-T444 HydrophobicContact CD2-CG2 4.07Å; L357-T444 HydrophobicContact CG-CG2 4.39Å
358	N	42.2	Very low	53.1	Low	128 Å²	128	70.4 Å²	70.4	68%	0.684	39%	0.389	S	S	*	.			trans	-56	119.7	171.3	-75.7	-12	0	0	0	109.3	E360 K361	N358-E360 PolarHBondContact O-N 3.42Å; N358-K361 PolarHBondContact O-N 3.3Å
359	G	38.8	Very low	50.4	Low	44 Å²	44	72.6 Å²	72.6	45%	0.454	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-57.7	-13.5	-178.2	0	0	0	0	0	115.1	L357 K361 L362	L357-G359 PolarHBondContact O-N 2.94Å; L357-G359 VanDerWaalsContact O-N 3.17Å; G359-K361 PolarHBondContact O-N 3.21Å; G359-L362 PolarHBondContact O-N 2.65Å
360	E	37.1	Very low	48.1	Very low	172 Å²	172	74.5 Å²	74.5	80%	0.804	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-58.3	-28.9	176.4	-71.1	-175.2	157.1	0	0	113.5	N358 L362 G363	N358-E360 PolarHBondContact O-N 3.42Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.14Å; E360-G363 PolarHBondContact O-N 3.35Å
361	K	44.3	Very low	45.7	Very low	106 Å²	106	76.1 Å²	76.1	46%	0.461	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-67.8	-24.5	-179.2	-79.2	-171.8	171.6	-168.7	0	114.1	N358 G359 G363 S364 I474	N358-K361 PolarHBondContact O-N 3.3Å; G359-K361 PolarHBondContact O-N 3.21Å; K361-G363 PolarHBondContact O-N 2.73Å; K361-S364 PolarHBondContact O-N 3.05Å; K361-S364 PolarHBondContact O-OG 3.24Å; K361-I474 HydrophobicContact CB-CD1 3.96Å; K361-I474 HydrophobicContact CD-CD1 4.48Å; K361-I474 PolarHBondContact NZ-O 2.81Å
362	L	42.5	Very low	44	Very low	41 Å²	41	81.5 Å²	81.5	22%	0.215	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-67.5	-26.1	-179.7	-157	78.2	0	0	0	112	V348 I350 G359 E360 S364 I365 V442	V348-L362 HydrophobicContact CG1-CD1 3.97Å; V348-L362 HydrophobicContact CG1-CD2 4.42Å; I350-L362 HydrophobicContact CD1-CD1 4.29Å; I350-L362 HydrophobicContact CD1-CD2 3.78Å; G359-L362 PolarHBondContact O-N 2.65Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.14Å; L362-S364 PolarHBondContact O-N 3.11Å; L362-S364 VanDerWaalsContact O-N 3.14Å; L362-I365 HydrophobicContact CD1-CD1 3.83Å; L362-I365 HydrophobicContact CG-CD1 4.14Å; L362-I365 WeakPolarHBondContact O-CD1 3.44Å; L362-I365 PolarHBondContact O-N 3.24Å; L362-V442 HydrophobicContact CD1-CG1 4.29Å
363	G	34.5	Very low	42.3	Very low	72 Å²	72	84.9 Å²	84.9	74%	0.742	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-69.3	-6.4	178.7	0	0	0	0	0	114.9	E360 K361	E360-G363 PolarHBondContact O-N 3.35Å; K361-G363 PolarHBondContact O-N 2.73Å
364	S	33	Very low	41.3	Very low	86 Å²	86	90.2 Å²	90.2	60%	0.601	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-92.5	-4.2	-178.6	66.2	0	0	0	0	114.7	K361 L362 S366	K361-S364 PolarHBondContact O-N 3.05Å; K361-S364 PolarHBondContact O-OG 3.24Å; L362-S364 PolarHBondContact O-N 3.11Å; L362-S364 VanDerWaalsContact O-N 3.14Å; S364-S366 PolarHBondContact O-N 3.27Å
365	I	39.1	Very low	40.8	Very low	39 Å²	39	89 Å²	89	20%	0.2	50%	0.5	C	S	.	.			trans	-77.9	98.2	177.5	-58.8	145.4	0	0	0	107.6	L362 E367 V442	L362-I365 HydrophobicContact CD1-CD1 3.83Å; L362-I365 HydrophobicContact CG-CD1 4.14Å; L362-I365 WeakPolarHBondContact O-CD1 3.44Å; L362-I365 PolarHBondContact O-N 3.24Å; I365-E367 PolarHBondContact O-N 2.83Å; I365-V442 HydrophobicContact CD1-CB 4.19Å; I365-V442 HydrophobicContact CD1-CG1 3.11Å; I365-V442 HydrophobicContact CD1-CG2 4.15Å; I365-V442 HydrophobicContact CG1-CG1 3.99Å; I365-V442 HydrophobicContact CG2-CG2 4.31Å
366	S	36	Very low	40.3	Very low	57 Å²	57	94.4 Å²	94.4	40%	0.399	53%	0.531	S	S	.	.			trans	-60.8	131.3	172	67.7	0	0	0	0	108.8	S364 E368 S369	S364-S366 PolarHBondContact O-N 3.27Å; S366-E368 PolarHBondContact O-N 3.32Å; S366-S369 PolarHBondContact O-N 3.27Å; S366-S369 PolarHBondContact O-OG 2.87Å; S366-S369 PolarHBondContact OG-OG 3.09Å
367	E	36.4	Very low	40.4	Very low	92 Å²	92	98.5 Å²	98.5	43%	0.43	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-54	-14.2	174.5	-55.4	-169	147.5	0	0	112.7	I365 R380 Y402	I365-E367 PolarHBondContact O-N 2.83Å; E367-R380 IonicContact OE1-CZ 2.83Å; E367-R380 IonicContact OE1-NH1 3.64Å; E367-R380 PolarHBondContact OE1-NH1 3.47Å; E367-R380 IonicContact OE1-NH2 3.04Å; E367-R380 IonicContact OE2-CZ 2.9Å; E367-R380 IonicContact OE2-NH1 3.68Å; E367-R380 PolarHBondContact OE2-NH1 3.48Å; E367-R380 IonicContact OE2-NH2 3.88Å; E367-R380 PolarHBondContact OE2-NH2 3.29Å; E367-Y402 PolarHBondContact OE1-OH 3.05Å
368	E	40.7	Very low	41	Very low	95 Å²	95	98.1 Å²	98.1	44%	0.444	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-75.5	-27.5	179.5	-65.7	-173.4	135.7	0	0	113.7	L156 S366 I370 G371	L156-E368 HydrophobicContact CD1-CB 4.3Å; L156-E368 HydrophobicContact CD2-CB 4.43Å; L156-E368 HydrophobicContact CD2-CG 4.38Å; S366-E368 PolarHBondContact O-N 3.32Å; E368-I370 PolarHBondContact O-N 2.99Å; E368-I370 VanDerWaalsContact O-N 3.13Å; E368-G371 PolarHBondContact O-N 2.92Å; E368-G371 VanDerWaalsContact O-N 3.12Å
369	S	37.9	Very low	42.3	Very low	56 Å²	56	98.1 Å²	98.1	39%	0.392	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.2	179.2	-51.7	0	0	0	0	112.9	S366 G371	S366-S369 PolarHBondContact O-N 3.27Å; S366-S369 PolarHBondContact O-OG 2.87Å; S366-S369 PolarHBondContact OG-OG 3.09Å; S369-G371 PolarHBondContact O-N 3.4Å
370	I	43.5	Very low	44.1	Very low	57 Å²	57	101.1 Å²	101.1	29%	0.292	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-78.2	-0.8	-179.9	-62	156.7	0	0	0	111.8	V346 E368 R372	V346-I370 HydrophobicContact CG2-CD1 3.55Å; V346-I370 HydrophobicContact CG2-CG1 3.93Å; V346-I370 HydrophobicContact CG2-CG2 4.4Å; E368-I370 PolarHBondContact O-N 2.99Å; E368-I370 VanDerWaalsContact O-N 3.13Å; I370-R372 PolarHBondContact O-N 3.21Å
371	G	37.6	Very low	46.6	Very low	57 Å²	57	93.1 Å²	93.1	59%	0.588	49%	0.491	S	S	*	.			trans	63.4	5	150.7	0	0	0	0	0	118.6	E368 S369	E368-G371 PolarHBondContact O-N 2.92Å; E368-G371 VanDerWaalsContact O-N 3.12Å; S369-G371 PolarHBondContact O-N 3.4Å
372	R	43.2	Very low	48.9	Very low	158 Å²	158	88.3 Å²	88.3	60%	0.596	47%	0.471	S	S	*	.			trans	-121.6	80.1	177.2	-79.1	-176.2	174	160.3	0.7	111.7	I370 N374 A375 D439	I370-R372 PolarHBondContact O-N 3.21Å; R372-N374 PolarHBondContact O-N 2.97Å; R372-A375 VanDerWaalsContact O-CB 3.31Å; R372-A375 WeakPolarHBondContact O-CB 3.39Å; R372-A375 PolarHBondContact O-N 3.41Å; R372-D439 IonicContact NH1-OD1 3.82Å
373	K	41.3	Very low	51.4	Low	128 Å²	128	86.3 Å²	86.3	56%	0.557	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	5.9	173.9	-90.3	-177.1	173.7	177.3	0	116.2	I160	I160-K373 HydrophobicContact CD1-CD 4.38Å
374	N	38.4	Very low	54.1	Low	170 Å²	170	83 Å²	83	91%	0.909	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.6	167.5	-76.6	-3.2	0	0	0	113.1	R372 L376	R372-N374 PolarHBondContact O-N 2.97Å; N374-L376 PolarHBondContact O-N 3.12Å
375	A	41.6	Very low	57	Low	48 Å²	48	79 Å²	79	40%	0.397	40%	0.398	S	S	.	.			trans	-88.9	22.1	-175.3	0	0	0	0	0	115.8	R372 R377 A378	R372-A375 VanDerWaalsContact O-CB 3.31Å; R372-A375 WeakPolarHBondContact O-CB 3.39Å; R372-A375 PolarHBondContact O-N 3.41Å; A375-R377 PolarHBondContact O-N 3.23Å; A375-A378 HydrophobicContact CB-CB 3.7Å; A375-A378 PolarHBondContact O-N 3.36Å
376	L	44.8	Very low	59.5	Low	174 Å²	174	77.4 Å²	77.4	91%	0.911	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.2	173.3	-86.7	157.3	0	0	0	113.4	N374	N374-L376 PolarHBondContact O-N 3.12Å
377	R	49.4	Very low	61.9	Low	249 Å²	249	75.5 Å²	75.5	94%	0.94	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-4.4	170.9	-72.3	-175.4	177.1	179.1	-0.9	115.4	A375	A375-R377 PolarHBondContact O-N 3.23Å
378	A	58	Low	64.2	Low	32 Å²	32	72.3 Å²	72.3	26%	0.264	36%	0.361	S	S	.	.	S	Bend	trans	-76.7	138.3	-174.8	0	0	0	0	0	110.2	A375 R380	A375-A378 HydrophobicContact CB-CB 3.7Å; A375-A378 PolarHBondContact O-N 3.36Å; A378-R380 PolarHBondContact O-N 2.9Å
379	K	69.8	Low	66.3	Low	128 Å²	128	69 Å²	69	56%	0.557	35%	0.348	S	S	*	.			trans	-70.8	127.7	176.5	-74	163.6	162.2	-170.9	0	109.3	S381 I403	K379-S381 PolarHBondContact O-N 2.93Å; K379-S381 PolarHBondContact O-OG 3.46Å; K379-I403 HydrophobicContact CB-CD1 3.71Å; K379-I403 HydrophobicContact CB-CG1 4.5Å; K379-I403 HydrophobicContact CD-CD1 3.65Å; K379-I403 HydrophobicContact CG-CD1 4Å
380	R	77.6	Confident	68.6	Low	107 Å²	107	70.9 Å²	70.9	40%	0.404	35%	0.354	S	S	.	.			trans	-70.4	112.7	178.8	-61.1	175.8	178.6	-155.8	-16.1	108.3	E367 A378 N401 Y402 I403	E367-R380 IonicContact OE1-CZ 2.83Å; E367-R380 IonicContact OE1-NH1 3.64Å; E367-R380 PolarHBondContact OE1-NH1 3.47Å; E367-R380 IonicContact OE1-NH2 3.04Å; E367-R380 IonicContact OE2-CZ 2.9Å; E367-R380 IonicContact OE2-NH1 3.68Å; E367-R380 PolarHBondContact OE2-NH1 3.48Å; E367-R380 IonicContact OE2-NH2 3.88Å; E367-R380 PolarHBondContact OE2-NH2 3.29Å; A378-R380 PolarHBondContact O-N 2.9Å; R380-N401 PolarHBondContact NH1-ND2 3.45Å; R380-Y402 HydrophobicContact CB-CD1 3.57Å; R380-Y402 HydrophobicContact CB-CD2 4.31Å; R380-Y402 HydrophobicContact CB-CE1 3.7Å; R380-Y402 HydrophobicContact CB-CE2 4.38Å; R380-Y402 HydrophobicContact CB-CG 3.93Å; R380-Y402 CarbonylContact O-C 3.49Å; R380-Y402 VanDerWaalsContact O-CA 3.31Å; R380-Y402 WeakPolarHBondContact O-CA 3.28Å; R380-I403 PolarHBondContact O-N 3.35Å
381	S	89.9	Confident	70.6	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.4	-169.8	-62.9	0	0	0	0	111.1	V345 V346 K379 I403	V345-S381 WeakPolarHBondContact CA-O 3.38Å; V346-S381 PolarHBondContact N-O 3Å; K379-S381 PolarHBondContact O-N 2.93Å; K379-S381 PolarHBondContact O-OG 3.46Å; S381-I403 CarbonylContact C-O 3.58Å; S381-I403 WeakPolarHBondContact CA-O 3.49Å
382	V	91.1	Very high	73	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135	176.7	172	0	0	0	0	110.1	V346 V348 L384 F395 Y402 I403 L404 Y405	V346-V382 CarbonylContact O-C 3.59Å; V346-V382 VanDerWaalsContact O-CA 3.28Å; V346-V382 WeakPolarHBondContact O-CA 3.36Å; V348-V382 HydrophobicContact CB-CG1 3.93Å; V348-V382 HydrophobicContact CG2-CG1 3.61Å; V382-L384 HydrophobicContact CG1-CB 4.36Å; V382-F395 HydrophobicContact CB-CE1 4.42Å; V382-F395 HydrophobicContact CB-CZ 4.13Å; V382-F395 HydrophobicContact CG1-CZ 4.28Å; V382-F395 HydrophobicContact CG2-CE1 4.34Å; V382-F395 HydrophobicContact CG2-CZ 3.72Å; V382-Y402 HydrophobicContact CG2-CD1 3.72Å; V382-Y402 HydrophobicContact CG2-CE1 4.14Å; V382-I403 PolarHBondContact N-O 3.44Å; V382-L404 HydrophobicContact CB-CD1 4.15Å; V382-L404 HydrophobicContact CG1-CD1 4.02Å; V382-Y405 WeakPolarHBondContact O-CB 3.21Å; V382-Y405 PolarHBondContact O-N 3.5Å
383	Y	94.6	Very high	75.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.7	160.4	-179	-85.9	0	0	0	109	T334 F338 V346 G347 V348 A385 R410 D431 A434 L435	T334-Y383 HydrophobicContact CG2-CE2 3.92Å; F338-Y383 AromaticContact CD1-CD2 3.65Å; F338-Y383 HydrophobicContact CD1-CD2 3.65Å; F338-Y383 HydrophobicContact CD1-CE2 4.07Å; F338-Y383 AromaticContact CE1-CD2 3.8Å; F338-Y383 HydrophobicContact CE1-CD2 3.8Å; F338-Y383 AromaticContact CE1-CE2 3.99Å; F338-Y383 HydrophobicContact CE1-CE2 3.99Å; F338-Y383 HydrophobicContact CG-CD2 4.33Å; V346-Y383 PolarHBondContact O-N 3.14Å; G347-Y383 CarbonylContact C-O 3.49Å; G347-Y383 WeakPolarHBondContact CA-O 3.28Å; V348-Y383 PolarHBondContact N-O 2.87Å; Y383-A385 HydrophobicContact CE1-CB 4.34Å; Y383-R410 PolarHBondContact OH-NH2 3.4Å; Y383-D431 PolarHBondContact OH-OD1 2.74Å; Y383-A434 HydrophobicContact CD1-CB 4.26Å; Y383-A434 HydrophobicContact CD2-CB 4.36Å; Y383-A434 HydrophobicContact CE1-CB 3.55Å; Y383-A434 HydrophobicContact CE2-CB 3.64Å; Y383-A434 WeakPolarHBondContact OH-CB 3.32Å; Y383-L435 HydrophobicContact CD1-CD2 3.96Å; Y383-L435 HydrophobicContact CD1-CG 4.27Å; Y383-L435 HydrophobicContact CE1-CD2 4.37Å; Y383-L435 HydrophobicContact CE1-CG 4.23Å
384	L	93.1	Very high	77.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.3	-177.3	177.8	65.7	0	0	0	111.1	V348 I350 V382 T386 V391 F392 L404 Y405	V348-L384 HydrophobicContact CB-CD1 4.27Å; V348-L384 HydrophobicContact CG1-CD1 4.07Å; V348-L384 WeakPolarHBondContact O-CA 3.36Å; I350-L384 HydrophobicContact CD1-CD1 4.13Å; I350-L384 HydrophobicContact CG1-CD1 4.11Å; V382-L384 HydrophobicContact CG1-CB 4.36Å; L384-T386 HydrophobicContact CD2-CG2 4.31Å; L384-T386 HydrophobicContact CG-CG2 4.18Å; L384-V391 HydrophobicContact CD1-CG1 4.14Å; L384-V391 HydrophobicContact CD2-CG1 3.8Å; L384-F392 HydrophobicContact CB-CE1 4.07Å; L384-F392 HydrophobicContact CB-CZ 4.15Å; L384-F392 HydrophobicContact CD2-CD1 3.88Å; L384-F392 HydrophobicContact CD2-CD2 3.99Å; L384-F392 HydrophobicContact CD2-CE1 3.91Å; L384-F392 HydrophobicContact CD2-CE2 4.02Å; L384-F392 HydrophobicContact CD2-CG 3.91Å; L384-F392 HydrophobicContact CD2-CZ 3.98Å; L384-F392 HydrophobicContact CG-CE1 4.25Å; L384-F392 HydrophobicContact CG-CE2 4.31Å; L384-F392 HydrophobicContact CG-CZ 4.04Å; L384-F392 WeakPolarHBondContact O-CZ 3.44Å; L384-L404 HydrophobicContact CB-CD1 3.68Å; L384-L404 HydrophobicContact CD2-CD1 4.21Å; L384-L404 HydrophobicContact CD2-CD2 4.44Å; L384-Y405 PolarHBondContact N-O 3.08Å
385	A	93.7	Very high	79.3	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.5	167.3	0	0	0	0	0	109.2	V348 H349 I350 Y383 D431 L435	V348-A385 PolarHBondContact O-N 3.16Å; H349-A385 WeakPolarHBondContact CA-O 3.49Å; I350-A385 PolarHBondContact N-O 3.46Å; Y383-A385 HydrophobicContact CE1-CB 4.34Å; A385-D431 HydrophobicContact CB-CB 3.98Å; A385-L435 HydrophobicContact CB-CD1 3.79Å; A385-L435 HydrophobicContact CB-CD2 4.11Å; A385-L435 HydrophobicContact CB-CG 4.07Å
386	T	90	Very high	81.3	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148.9	-174.8	176.5	0	0	0	0	110.5	I350 L384 D388 V391 F392 S411	I350-T386 VanDerWaalsContact O-CA 3.22Å; I350-T386 WeakPolarHBondContact O-CA 3.49Å; I350-T386 PolarHBondContact O-OG1 3.39Å; L384-T386 HydrophobicContact CD2-CG2 4.31Å; L384-T386 HydrophobicContact CG-CG2 4.18Å; T386-D388 VanDerWaalsContact C-N 3.34Å; T386-D388 WeakPolarHBondContact CG2-O 3.48Å; T386-D388 PolarHBondContact OG1-N 2.91Å; T386-D388 PolarHBondContact OG1-O 2.84Å; T386-D388 VanDerWaalsContact OG1-O 3.11Å; T386-V391 HydrophobicContact CG2-CB 4.07Å; T386-V391 HydrophobicContact CG2-CG1 4.43Å; T386-F392 HydrophobicContact CG2-CD2 3.92Å; T386-F392 HydrophobicContact CG2-CE2 3.5Å; T386-F392 HydrophobicContact CG2-CZ 4.43Å; T386-S411 VanDerWaalsContact CG2-OG 3.3Å; T386-S411 WeakPolarHBondContact CG2-OG 3.48Å; T386-S411 WeakPolarHBondContact O-CA 3.37Å; T386-S411 WeakPolarHBondContact O-CB 3.2Å; T386-S411 PolarHBondContact O-OG 3.42Å
387	D	86.4	Confident	83.1	Confident	16 Å²	16	56.6 Å²	56.6	9%	0.086	27%	0.267	C	S	.	.	S	Bend	trans	-86.7	-6.7	169.7	62.4	-18.7	0	0	0	112.9	R351 R352 T353 A414	R351-D387 WeakPolarHBondContact CA-OD1 3.03Å; R352-D387 PolarHBondContact N-OD1 2.94Å; R352-D387 PolarHBondContact N-OD2 3.47Å; T353-D387 WeakPolarHBondContact CB-OD2 3.28Å; T353-D387 HydrophobicContact CG2-CB 4.33Å; T353-D387 PolarHBondContact N-OD2 2.9Å; T353-D387 PolarHBondContact OG1-OD2 3.32Å; D387-A414 HydrophobicContact CB-CB 4.04Å
388	D	85	Confident	84.4	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.134	25%	0.248	C	C	.	.			trans	-112.3	110.3	174.4	177.2	2.1	0	0	0	110.8	R352 T386 N390 V391	R352-D388 HydrophobicContact CB-CB 4.35Å; R352-D388 VanDerWaalsContact CD-OD2 3.27Å; R352-D388 WeakPolarHBondContact CD-OD2 3.39Å; R352-D388 IonicContact CZ-OD2 3.73Å; R352-D388 IonicContact NE-OD2 2.8Å; R352-D388 IonicContact NH1-OD2 3.96Å; R352-D388 PolarHBondContact NH1-OD2 2.81Å; T386-D388 VanDerWaalsContact C-N 3.34Å; T386-D388 WeakPolarHBondContact CG2-O 3.48Å; T386-D388 PolarHBondContact OG1-N 2.91Å; T386-D388 PolarHBondContact OG1-O 2.84Å; T386-D388 VanDerWaalsContact OG1-O 3.11Å; D388-N390 PolarHBondContact O-N 3.12Å; D388-N390 VanDerWaalsContact OD1-CB 3.26Å; D388-N390 WeakPolarHBondContact OD1-CB 3.31Å; D388-N390 PolarHBondContact OD1-N 3.23Å; D388-N390 PolarHBondContact OD1-ND2 3.38Å; D388-V391 HydrophobicContact CB-CG2 3.88Å; D388-V391 WeakPolarHBondContact O-CB 3.43Å; D388-V391 WeakPolarHBondContact O-CG2 3.2Å; D388-V391 PolarHBondContact O-N 3.21Å
389	P	84.5	Confident	85.5	Confident	27 Å²	27	50.1 Å²	50.1	18%	0.175	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.2	-179.1	26.4	-34	0	0	0	113.8	V391 F392 H412	P389-V391 PolarHBondContact O-N 3.04Å; P389-F392 PolarHBondContact O-N 3.01Å; P389-H412 WeakPolarHBondContact CB-CE1 3.38Å
390	N	86	Confident	86.2	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-19	178.4	-59.8	-61.9	0	0	0	112.4	D388 F392 T393 Q394	D388-N390 PolarHBondContact O-N 3.12Å; D388-N390 VanDerWaalsContact OD1-CB 3.26Å; D388-N390 WeakPolarHBondContact OD1-CB 3.31Å; D388-N390 PolarHBondContact OD1-N 3.23Å; D388-N390 PolarHBondContact OD1-ND2 3.38Å; N390-F392 PolarHBondContact O-N 3.16Å; N390-T393 PolarHBondContact O-N 3.47Å; N390-T393 PolarHBondContact O-OG1 3.24Å; N390-Q394 WeakPolarHBondContact O-CG 3.5Å; N390-Q394 PolarHBondContact O-N 2.92Å
391	V	86.2	Confident	86.5	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-32.2	177	176.3	0	0	0	0	111.3	I350 L384 T386 D388 P389 T393 Q394 F395	I350-V391 HydrophobicContact CD1-CG1 3.76Å; L384-V391 HydrophobicContact CD1-CG1 4.14Å; L384-V391 HydrophobicContact CD2-CG1 3.8Å; T386-V391 HydrophobicContact CG2-CB 4.07Å; T386-V391 HydrophobicContact CG2-CG1 4.43Å; D388-V391 HydrophobicContact CB-CG2 3.88Å; D388-V391 WeakPolarHBondContact O-CB 3.43Å; D388-V391 WeakPolarHBondContact O-CG2 3.2Å; D388-V391 PolarHBondContact O-N 3.21Å; P389-V391 PolarHBondContact O-N 3.04Å; V391-T393 PolarHBondContact O-N 3.24Å; V391-Q394 PolarHBondContact O-N 3.17Å; V391-F395 WeakPolarHBondContact O-CB 2.95Å; V391-F395 PolarHBondContact O-N 2.76Å
392	F	88.5	Confident	86.3	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-42.5	177.7	-79.7	-92	0	0	0	112.3	L384 T386 P389 N390 S396 L404 P408 S411	L384-F392 HydrophobicContact CB-CE1 4.07Å; L384-F392 HydrophobicContact CB-CZ 4.15Å; L384-F392 HydrophobicContact CD2-CD1 3.88Å; L384-F392 HydrophobicContact CD2-CD2 3.99Å; L384-F392 HydrophobicContact CD2-CE1 3.91Å; L384-F392 HydrophobicContact CD2-CE2 4.02Å; L384-F392 HydrophobicContact CD2-CG 3.91Å; L384-F392 HydrophobicContact CD2-CZ 3.98Å; L384-F392 HydrophobicContact CG-CE1 4.25Å; L384-F392 HydrophobicContact CG-CE2 4.31Å; L384-F392 HydrophobicContact CG-CZ 4.04Å; L384-F392 WeakPolarHBondContact O-CZ 3.44Å; T386-F392 HydrophobicContact CG2-CD2 3.92Å; T386-F392 HydrophobicContact CG2-CE2 3.5Å; T386-F392 HydrophobicContact CG2-CZ 4.43Å; P389-F392 PolarHBondContact O-N 3.01Å; N390-F392 PolarHBondContact O-N 3.16Å; F392-S396 WeakPolarHBondContact O-CB 3.33Å; F392-S396 PolarHBondContact O-N 3.09Å; F392-S396 VanDerWaalsContact O-N 3.14Å; F392-S396 PolarHBondContact O-OG 2.82Å; F392-L404 HydrophobicContact CB-CD2 4.48Å; F392-L404 HydrophobicContact CD1-CD2 3.7Å; F392-L404 HydrophobicContact CD1-CG 4.24Å; F392-L404 HydrophobicContact CE1-CD2 4.41Å; F392-L404 HydrophobicContact CG-CD2 4.48Å; F392-P408 HydrophobicContact CB-CG 4.31Å; F392-P408 HydrophobicContact CD1-CG 4.02Å; F392-P408 HydrophobicContact CD2-CB 4.32Å; F392-P408 HydrophobicContact CD2-CG 4.13Å; F392-P408 HydrophobicContact CE1-CG 4.41Å; F392-P408 HydrophobicContact CE2-CG 4.49Å; F392-P408 HydrophobicContact CG-CG 3.89Å; F392-S411 WeakPolarHBondContact CE2-OG 3.47Å
393	T	87.3	Confident	86.2	Confident	97 Å²	97	53.1 Å²	53.1	60%	0.595	28%	0.282	S	S	*	.	H	α-helix	trans	-73	-41.4	179.5	56.9	0	0	0	0	110.8	N390 V391 Y397	N390-T393 PolarHBondContact O-N 3.47Å; N390-T393 PolarHBondContact O-OG1 3.24Å; V391-T393 PolarHBondContact O-N 3.24Å; T393-Y397 WeakPolarHBondContact O-CB 3Å; T393-Y397 PolarHBondContact O-N 3.03Å; T393-Y397 VanDerWaalsContact O-N 3.09Å
394	Q	84.5	Confident	86	Confident	92 Å²	92	55.2 Å²	55.2	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-48.1	173.5	-70.7	174.9	-0	0	0	111.8	N390 V391 Y397 S398	N390-Q394 WeakPolarHBondContact O-CG 3.5Å; N390-Q394 PolarHBondContact O-N 2.92Å; V391-Q394 PolarHBondContact O-N 3.17Å; Q394-Y397 PolarHBondContact O-N 3.31Å; Q394-S398 PolarHBondContact O-N 3.46Å; Q394-S398 PolarHBondContact O-OG 3.32Å
395	F	82.4	Confident	86	Confident	18 Å²	18	57.1 Å²	57.1	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-47.5	-178.3	-172.5	-81.9	0	0	0	111.5	V382 V391 Y397 S398 H399 Y402 L404	V382-F395 HydrophobicContact CB-CE1 4.42Å; V382-F395 HydrophobicContact CB-CZ 4.13Å; V382-F395 HydrophobicContact CG1-CZ 4.28Å; V382-F395 HydrophobicContact CG2-CE1 4.34Å; V382-F395 HydrophobicContact CG2-CZ 3.72Å; V391-F395 WeakPolarHBondContact O-CB 2.95Å; V391-F395 PolarHBondContact O-N 2.76Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.89Å; F395-S398 PolarHBondContact O-N 2.81Å; F395-H399 HydrophobicContact CD1-CB 4.38Å; F395-H399 AromaticContact CD2-ND1 4Å; F395-H399 HydrophobicContact CE1-CB 4.02Å; F395-H399 AromaticContact CE2-ND1 4Å; F395-H399 HydrophobicContact CZ-CB 4.22Å; F395-H399 WeakPolarHBondContact O-CB 3.43Å; F395-H399 PolarHBondContact O-N 2.65Å; F395-Y402 HydrophobicContact CE1-CG 4.42Å; F395-Y402 HydrophobicContact CZ-CD1 4.5Å; F395-Y402 HydrophobicContact CZ-CG 4.44Å; F395-L404 HydrophobicContact CB-CD2 4.4Å; F395-L404 HydrophobicContact CD1-CD1 3.77Å; F395-L404 HydrophobicContact CD1-CD2 4Å; F395-L404 HydrophobicContact CD1-CG 4.35Å; F395-L404 HydrophobicContact CE1-CD1 3.97Å; F395-L404 HydrophobicContact CG-CD1 4.37Å
396	S	84.8	Confident	85.9	Confident	61 Å²	61	58.4 Å²	58.4	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-34.5	179.7	-56.3	0	0	0	0	112.3	F392 L404	F392-S396 WeakPolarHBondContact O-CB 3.33Å; F392-S396 PolarHBondContact O-N 3.09Å; F392-S396 VanDerWaalsContact O-N 3.14Å; F392-S396 PolarHBondContact O-OG 2.82Å; S396-L404 WeakPolarHBondContact OG-CD2 3.22Å
397	Y	81.9	Confident	85.9	Confident	202 Å²	202	60 Å²	60	79%	0.792	33%	0.326	S	S	*	.	H	α-helix	trans	-70.8	-45.8	175.8	-179.2	-97.3	0	0	0	112.4	T393 Q394 F395	T393-Y397 WeakPolarHBondContact O-CB 3Å; T393-Y397 PolarHBondContact O-N 3.03Å; T393-Y397 VanDerWaalsContact O-N 3.09Å; Q394-Y397 PolarHBondContact O-N 3.31Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.89Å
398	S	78	Confident	85.8	Confident	78 Å²	78	62.2 Å²	62.2	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-77	-25.7	-177.7	-63.3	0	0	0	0	114	Q394 F395 P400	Q394-S398 PolarHBondContact O-N 3.46Å; Q394-S398 PolarHBondContact O-OG 3.32Å; F395-S398 PolarHBondContact O-N 2.81Å; S398-P400 VanDerWaalsContact C-CD 3.49Å
399	H	81.1	Confident	85.8	Confident	67 Å²	67	63.3 Å²	63.3	31%	0.31	36%	0.358	S	S	.	.			trans	-130.6	61.2	-174.5	-54.7	93.4	0	0	0	111.9	F395 N401 Y402	F395-H399 HydrophobicContact CD1-CB 4.38Å; F395-H399 AromaticContact CD2-ND1 4Å; F395-H399 HydrophobicContact CE1-CB 4.02Å; F395-H399 AromaticContact CE2-ND1 4Å; F395-H399 HydrophobicContact CZ-CB 4.22Å; F395-H399 WeakPolarHBondContact O-CB 3.43Å; F395-H399 PolarHBondContact O-N 2.65Å; H399-N401 PolarHBondContact O-N 3.09Å; H399-Y402 HydrophobicContact CB-CD2 3.79Å; H399-Y402 HydrophobicContact CB-CE2 4.44Å; H399-Y402 HydrophobicContact CB-CG 4.35Å; H399-Y402 PolarHBondContact O-N 2.69Å; H399-Y402 VanDerWaalsContact O-N 3.07Å
400	P	84	Confident	86	Confident	109 Å²	109	63.1 Å²	63.1	71%	0.708	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.9	-171.7	27.7	-36.7	0	0	0	114.4	S398	S398-P400 VanDerWaalsContact C-CD 3.49Å
401	N	82.5	Confident	85.7	Confident	91 Å²	91	58.7 Å²	58.7	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2	177.6	59.6	-36.6	0	0	0	114.1	R380 H399	R380-N401 PolarHBondContact NH1-ND2 3.45Å; H399-N401 PolarHBondContact O-N 3.09Å
402	Y	85.7	Confident	85.3	Confident	49 Å²	49	63.5 Å²	63.5	19%	0.192	35%	0.352	C	S	.	.	S	Bend	trans	-96.8	142.7	176.4	-78.5	-105.8	0	0	0	111.6	E367 R380 V382 F395 H399	E367-Y402 PolarHBondContact OE1-OH 3.05Å; R380-Y402 HydrophobicContact CB-CD1 3.57Å; R380-Y402 HydrophobicContact CB-CD2 4.31Å; R380-Y402 HydrophobicContact CB-CE1 3.7Å; R380-Y402 HydrophobicContact CB-CE2 4.38Å; R380-Y402 HydrophobicContact CB-CG 3.93Å; R380-Y402 CarbonylContact O-C 3.49Å; R380-Y402 VanDerWaalsContact O-CA 3.31Å; R380-Y402 WeakPolarHBondContact O-CA 3.28Å; V382-Y402 HydrophobicContact CG2-CD1 3.72Å; V382-Y402 HydrophobicContact CG2-CE1 4.14Å; F395-Y402 HydrophobicContact CE1-CG 4.42Å; F395-Y402 HydrophobicContact CZ-CD1 4.5Å; F395-Y402 HydrophobicContact CZ-CG 4.44Å; H399-Y402 HydrophobicContact CB-CD2 3.79Å; H399-Y402 HydrophobicContact CB-CE2 4.44Å; H399-Y402 HydrophobicContact CB-CG 4.35Å; H399-Y402 PolarHBondContact O-N 2.69Å; H399-Y402 VanDerWaalsContact O-N 3.07Å
403	I	90.1	Very high	84.9	Confident	57 Å²	57	63.2 Å²	63.2	29%	0.292	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117	166.9	-58.4	-176.2	0	0	0	107.6	K379 R380 S381 V382 Y405	K379-I403 HydrophobicContact CB-CD1 3.71Å; K379-I403 HydrophobicContact CB-CG1 4.5Å; K379-I403 HydrophobicContact CD-CD1 3.65Å; K379-I403 HydrophobicContact CG-CD1 4Å; R380-I403 PolarHBondContact O-N 3.35Å; S381-I403 CarbonylContact C-O 3.58Å; S381-I403 WeakPolarHBondContact CA-O 3.49Å; V382-I403 PolarHBondContact N-O 3.44Å; I403-Y405 HydrophobicContact CB-CE2 4.46Å; I403-Y405 HydrophobicContact CG2-CD2 4.36Å; I403-Y405 HydrophobicContact CG2-CE1 4.13Å; I403-Y405 HydrophobicContact CG2-CE2 3.73Å
404	L	90.1	Very high	84.2	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.236	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.7	-179.1	-171.6	62.2	0	0	0	110.8	V382 L384 F392 F395 S396	V382-L404 HydrophobicContact CB-CD1 4.15Å; V382-L404 HydrophobicContact CG1-CD1 4.02Å; L384-L404 HydrophobicContact CB-CD1 3.68Å; L384-L404 HydrophobicContact CD2-CD1 4.21Å; L384-L404 HydrophobicContact CD2-CD2 4.44Å; F392-L404 HydrophobicContact CB-CD2 4.48Å; F392-L404 HydrophobicContact CD1-CD2 3.7Å; F392-L404 HydrophobicContact CD1-CG 4.24Å; F392-L404 HydrophobicContact CE1-CD2 4.41Å; F392-L404 HydrophobicContact CG-CD2 4.48Å; F395-L404 HydrophobicContact CB-CD2 4.4Å; F395-L404 HydrophobicContact CD1-CD1 3.77Å; F395-L404 HydrophobicContact CD1-CD2 4Å; F395-L404 HydrophobicContact CD1-CG 4.35Å; F395-L404 HydrophobicContact CE1-CD1 3.97Å; F395-L404 HydrophobicContact CG-CD1 4.37Å; S396-L404 WeakPolarHBondContact OG-CD2 3.22Å
405	Y	93.9	Very high	83.5	Confident	41 Å²	41	58.6 Å²	58.6	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.9	168.3	-57.3	-75.9	0	0	0	109.9	S337 F338 V345 V382 L384 I403	S337-Y405 WeakPolarHBondContact O-CE1 3.45Å; F338-Y405 HydrophobicContact CB-CD1 3.78Å; F338-Y405 HydrophobicContact CB-CD2 3.5Å; F338-Y405 HydrophobicContact CB-CE1 4.07Å; F338-Y405 HydrophobicContact CB-CE2 3.79Å; F338-Y405 HydrophobicContact CB-CG 3.49Å; F338-Y405 VanDerWaalsContact CB-CG 3.49Å; V345-Y405 HydrophobicContact CG1-CD2 4.38Å; V345-Y405 HydrophobicContact CG2-CE2 4.41Å; V382-Y405 WeakPolarHBondContact O-CB 3.21Å; V382-Y405 PolarHBondContact O-N 3.5Å; L384-Y405 PolarHBondContact N-O 3.08Å; I403-Y405 HydrophobicContact CB-CE2 4.46Å; I403-Y405 HydrophobicContact CG2-CD2 4.36Å; I403-Y405 HydrophobicContact CG2-CE1 4.13Å; I403-Y405 HydrophobicContact CG2-CE2 3.73Å
406	G	91.2	Very high	82.9	Confident	30 Å²	30	60.8 Å²	60.8	31%	0.309	35%	0.347	S	S	.	.	S	Bend	trans	134.1	178.6	-176.9	0	0	0	0	0	110.3
407	S	89.6	Confident	82.1	Confident	40 Å²	40	65.2 Å²	65.2	28%	0.28	36%	0.361	S	S	.	.			trans	-132.2	110.5	179.4	175.8	0	0	0	0	110.1	G409 R410 S411	S407-G409 PolarHBondContact O-N 3.02Å; S407-G409 VanDerWaalsContact O-N 3.16Å; S407-G409 PolarHBondContact OG-N 2.87Å; S407-R410 WeakPolarHBondContact O-CB 3.38Å; S407-R410 PolarHBondContact O-N 2.7Å; S407-R410 PolarHBondContact OG-N 3.42Å; S407-S411 PolarHBondContact O-N 3.08Å
408	P	85.2	Confident	81.7	Confident	61 Å²	61	60.4 Å²	60.4	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-54.6	-32.5	171.5	-25.8	33.8	0	0	0	112.4	F392 R410 S411 H412	F392-P408 HydrophobicContact CB-CG 4.31Å; F392-P408 HydrophobicContact CD1-CG 4.02Å; F392-P408 HydrophobicContact CD2-CB 4.32Å; F392-P408 HydrophobicContact CD2-CG 4.13Å; F392-P408 HydrophobicContact CE1-CG 4.41Å; F392-P408 HydrophobicContact CE2-CG 4.49Å; F392-P408 HydrophobicContact CG-CG 3.89Å; P408-R410 VanDerWaalsContact C-N 3.31Å; P408-R410 PolarHBondContact O-N 2.87Å; P408-S411 WeakPolarHBondContact O-CB 3.3Å; P408-S411 PolarHBondContact O-N 3.08Å; P408-H412 PolarHBondContact O-N 2.91Å; P408-H412 PolarHBondContact O-ND1 2.93Å
409	G	84.9	Confident	81.5	Confident	48 Å²	48	61.3 Å²	61.3	50%	0.495	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-31.3	176.3	0	0	0	0	0	113.6	S407	S407-G409 PolarHBondContact O-N 3.02Å; S407-G409 VanDerWaalsContact O-N 3.16Å; S407-G409 PolarHBondContact OG-N 2.87Å
410	R	87	Confident	81.2	Confident	24 Å²	24	62.3 Å²	62.3	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-70.5	-38.2	173.3	-69.9	-158.7	-69.5	-107.6	-2.7	111.6	T334 Y383 S407 P408 H412 S413 A414 N427 D431	T334-R410 PolarHBondContact OG1-NH1 3.46Å; Y383-R410 PolarHBondContact OH-NH2 3.4Å; S407-R410 WeakPolarHBondContact O-CB 3.38Å; S407-R410 PolarHBondContact O-N 2.7Å; S407-R410 PolarHBondContact OG-N 3.42Å; P408-R410 VanDerWaalsContact C-N 3.31Å; P408-R410 PolarHBondContact O-N 2.87Å; R410-H412 PolarHBondContact O-N 2.91Å; R410-S413 PolarHBondContact O-N 3.32Å; R410-S413 VanDerWaalsContact O-N 3.09Å; R410-S413 PolarHBondContact O-OG 2.68Å; R410-A414 PolarHBondContact O-N 2.92Å; R410-N427 HydrophobicContact CB-CB 4.01Å; R410-N427 HydrophobicContact CG-CB 3.75Å; R410-D431 IonicContact CZ-OD1 3.93Å; R410-D431 IonicContact NE-OD1 3.07Å; R410-D431 PolarHBondContact NE-OD1 3.37Å; R410-D431 IonicContact NE-OD2 3.78Å; R410-D431 IonicContact NH2-OD1 3.89Å; R410-D431 PolarHBondContact NH2-OD1 3.22Å
411	S	81.1	Confident	81.3	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-42.6	175.9	-61.4	0	0	0	0	113.4	T386 F392 S407 P408 S413 A414	T386-S411 VanDerWaalsContact CG2-OG 3.3Å; T386-S411 WeakPolarHBondContact CG2-OG 3.48Å; T386-S411 WeakPolarHBondContact O-CA 3.37Å; T386-S411 WeakPolarHBondContact O-CB 3.2Å; T386-S411 PolarHBondContact O-OG 3.42Å; F392-S411 WeakPolarHBondContact CE2-OG 3.47Å; S407-S411 PolarHBondContact O-N 3.08Å; P408-S411 WeakPolarHBondContact O-CB 3.3Å; P408-S411 PolarHBondContact O-N 3.08Å; S411-S413 PolarHBondContact O-N 3.2Å; S411-A414 PolarHBondContact O-N 3.31Å
412	H	76.8	Confident	81.5	Confident	106 Å²	106	59.2 Å²	59.2	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-36.7	175.5	-71.2	81.4	0	0	0	112.3	P389 P408 R410 A414 D415	P389-H412 WeakPolarHBondContact CB-CE1 3.38Å; P408-H412 PolarHBondContact O-N 2.91Å; P408-H412 PolarHBondContact O-ND1 2.93Å; R410-H412 PolarHBondContact O-N 2.91Å; H412-A414 VanDerWaalsContact C-N 3.27Å; H412-A414 PolarHBondContact O-N 3.07Å; H412-D415 WeakPolarHBondContact O-CB 3.44Å
413	S	80.6	Confident	81.6	Confident	11 Å²	11	61.4 Å²	61.4	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-74	-17.8	179.3	74.8	0	0	0	0	113.7	R410 S411 F418 R419 S424 N427	R410-S413 PolarHBondContact O-N 3.32Å; R410-S413 VanDerWaalsContact O-N 3.09Å; R410-S413 PolarHBondContact O-OG 2.68Å; S411-S413 PolarHBondContact O-N 3.2Å; S413-F418 CarbonylContact O-C 3.54Å; S413-R419 WeakPolarHBondContact O-CA 3.42Å; S413-R419 PolarHBondContact O-N 3.46Å; S413-S424 WeakPolarHBondContact CB-OG 3.39Å; S413-S424 WeakPolarHBondContact O-CB 3.36Å; S413-S424 PolarHBondContact O-OG 2.94Å; S413-N427 PolarHBondContact OG-ND2 2.72Å
414	A	72.9	Confident	81.5	Confident	36 Å²	36	58.9 Å²	58.9	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-87.3	-9.9	-180	0	0	0	0	0	113.4	D387 R410 S411 H412	D387-A414 HydrophobicContact CB-CB 4.04Å; R410-A414 PolarHBondContact O-N 2.92Å; S411-A414 PolarHBondContact O-N 3.31Å; H412-A414 VanDerWaalsContact C-N 3.27Å; H412-A414 PolarHBondContact O-N 3.07Å
415	D	69.7	Low	81.5	Confident	56 Å²	56	57.1 Å²	57.1	30%	0.299	31%	0.309	S	S	.	.	S	Bend	trans	-54.4	146.1	172.6	-170.4	-73.2	0	0	0	111.2	H412 E417 F418 R419	H412-D415 WeakPolarHBondContact O-CB 3.44Å; D415-E417 PolarHBondContact O-N 3.11Å; D415-E417 PolarHBondContact OD1-N 3.1Å; D415-F418 HydrophobicContact CB-CD2 4.29Å; D415-F418 PolarHBondContact O-N 3.42Å; D415-R419 VanDerWaalsContact O-CB 3.32Å; D415-R419 WeakPolarHBondContact O-CB 3.26Å; D415-R419 PolarHBondContact O-N 3.33Å
416	V	70.5	Confident	81.4	Confident	64 Å²	64	56 Å²	56	39%	0.388	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-32.9	-178.8	179.1	0	0	0	0	112.7	D354	D354-V416 HydrophobicContact CB-CG2 4.38Å
417	E	67.6	Low	81.5	Confident	154 Å²	154	55.7 Å²	55.7	72%	0.72	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-38.8	178.6	-170.7	175.6	-176.3	0	0	112.9	D415	D415-E417 PolarHBondContact O-N 3.11Å; D415-E417 PolarHBondContact OD1-N 3.1Å
418	F	72.7	Confident	81.6	Confident	101 Å²	101	55 Å²	55	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-12.9	-171.5	-54.6	-67.1	0	0	0	114	S413 D415 M420 T421 S424	S413-F418 CarbonylContact O-C 3.54Å; D415-F418 HydrophobicContact CB-CD2 4.29Å; D415-F418 PolarHBondContact O-N 3.42Å; F418-M420 PolarHBondContact O-N 3.22Å; F418-T421 WeakPolarHBondContact O-CG2 3.33Å; F418-T421 PolarHBondContact O-N 2.85Å; F418-T421 PolarHBondContact O-OG1 2.96Å; F418-S424 PolarHBondContact O-OG 3.17Å
419	R	73.8	Confident	82	Confident	96 Å²	96	52.2 Å²	52.2	36%	0.362	28%	0.275	S	S	.	.	S	Bend	trans	-56.7	-25	-170	66.9	-179.8	179.7	-179	4.9	114.9	D354 S413 D415 T421 S424	D354-R419 IonicContact OD2-NH1 3.17Å; D354-R419 PolarHBondContact OD2-NH1 3.2Å; S413-R419 WeakPolarHBondContact O-CA 3.42Å; S413-R419 PolarHBondContact O-N 3.46Å; D415-R419 VanDerWaalsContact O-CB 3.32Å; D415-R419 WeakPolarHBondContact O-CB 3.26Å; D415-R419 PolarHBondContact O-N 3.33Å; R419-T421 VanDerWaalsContact C-N 3.28Å; R419-T421 PolarHBondContact O-N 2.84Å; R419-S424 WeakPolarHBondContact O-CB 3.4Å
420	M	76.2	Confident	82.6	Confident	89 Å²	89	50.4 Å²	50.4	44%	0.438	25%	0.254	S	S	.	.	S	Bend	trans	-92.9	53	176.7	-58.3	-57.8	-74.1	0	0	110.7	I246 F418	I246-M420 VanDerWaalsContact CD1-C 3.49Å; I246-M420 HydrophobicContact CD1-CB 4.33Å; I246-M420 WeakPolarHBondContact CD1-O 3.47Å; F418-M420 PolarHBondContact O-N 3.22Å
421	T	84.3	Confident	83	Confident	55 Å²	55	49.9 Å²	49.9	34%	0.337	25%	0.253	S	S	.	.	S	Bend	trans	-127.6	156.1	169.7	73.7	0	0	0	0	110.6	F418 R419 N423 S424 M425	F418-T421 WeakPolarHBondContact O-CG2 3.33Å; F418-T421 PolarHBondContact O-N 2.85Å; F418-T421 PolarHBondContact O-OG1 2.96Å; R419-T421 VanDerWaalsContact C-N 3.28Å; R419-T421 PolarHBondContact O-N 2.84Å; T421-N423 PolarHBondContact O-N 2.95Å; T421-S424 PolarHBondContact O-N 2.86Å; T421-S424 WeakPolarHBondContact OG1-CB 3.42Å; T421-S424 PolarHBondContact OG1-N 3.15Å; T421-S424 VanDerWaalsContact OG1-N 3.1Å; T421-S424 PolarHBondContact OG1-OG 3.37Å; T421-M425 PolarHBondContact O-N 3.45Å
422	Y	86.7	Confident	83.7	Confident	79 Å²	79	49.8 Å²	49.8	31%	0.31	25%	0.253	S	S	.	.	H	α-helix	trans	-57.5	-38.1	176	-173.3	-83.8	0	0	0	112.2	W250 Q253 N254 M425 N426	W250-Y422 HydrophobicContact CB-CD2 4.25Å; W250-Y422 HydrophobicContact CB-CE2 4.2Å; Q253-Y422 HydrophobicContact CB-CE2 4.23Å; Q253-Y422 WeakPolarHBondContact CB-OH 3.03Å; Q253-Y422 HydrophobicContact CG-CE2 4.41Å; N254-Y422 PolarHBondContact ND2-OH 3.36Å; N254-Y422 PolarHBondContact OD1-OH 2.86Å; Y422-M425 WeakPolarHBondContact O-CB 3.3Å; Y422-M425 PolarHBondContact O-N 3.49Å; Y422-N426 WeakPolarHBondContact CE1-ND2 3.37Å; Y422-N426 PolarHBondContact O-N 3.48Å
423	N	88.8	Confident	84.7	Confident	95 Å²	95	46 Å²	46	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-42	178.4	-172	56.4	0	0	0	112.2	T421 M425 N426 N427	T421-N423 PolarHBondContact O-N 2.95Å; N423-M425 VanDerWaalsContact C-N 3.26Å; N423-M425 PolarHBondContact O-N 2.97Å; N423-N426 WeakPolarHBondContact O-CB 3.41Å; N423-N426 PolarHBondContact O-N 3.28Å; N423-N427 VanDerWaalsContact O-CG 3.3Å; N423-N427 PolarHBondContact O-N 2.89Å; N423-N427 PolarHBondContact O-ND2 3.12Å
424	S	88.6	Confident	85.5	Confident	5 Å²	5	45.5 Å²	45.5	4%	0.035	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-37.7	173.9	-58.3	0	0	0	0	111.9	S413 F418 R419 T421 N427 A428	S413-S424 WeakPolarHBondContact CB-OG 3.39Å; S413-S424 WeakPolarHBondContact O-CB 3.36Å; S413-S424 PolarHBondContact O-OG 2.94Å; F418-S424 PolarHBondContact O-OG 3.17Å; R419-S424 WeakPolarHBondContact O-CB 3.4Å; T421-S424 PolarHBondContact O-N 2.86Å; T421-S424 WeakPolarHBondContact OG1-CB 3.42Å; T421-S424 PolarHBondContact OG1-N 3.15Å; T421-S424 VanDerWaalsContact OG1-N 3.1Å; T421-S424 PolarHBondContact OG1-OG 3.37Å; S424-N427 PolarHBondContact O-N 3.32Å; S424-A428 WeakPolarHBondContact O-CB 3.37Å; S424-A428 PolarHBondContact O-N 2.86Å
425	M	89.1	Confident	86.7	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-48.1	174.8	-162.7	66.6	67.6	0	0	111.9	F215 I246 F247 W250 T421 Y422 N423 N427 A428 V429	F215-M425 HydrophobicContact CB-CE 4.38Å; F215-M425 HydrophobicContact CB-SD 3.58Å; F215-M425 VanDerWaalsContact CB-SD 3.58Å; F215-M425 HydrophobicContact CD2-SD 3.39Å; F215-M425 WeakPolarHBondContact CD2-SD 3.32Å; F215-M425 HydrophobicContact CE2-SD 4.34Å; F215-M425 HydrophobicContact CG-SD 3.71Å; I246-M425 HydrophobicContact CG2-CE 4.33Å; F247-M425 HydrophobicContact CB-CE 4.07Å; F247-M425 HydrophobicContact CD2-CE 4.15Å; F247-M425 HydrophobicContact CD2-SD 3.91Å; W250-M425 HydrophobicContact CB-CB 4.33Å; W250-M425 HydrophobicContact CB-CG 3.76Å; W250-M425 HydrophobicContact CD2-CB 4.41Å; W250-M425 HydrophobicContact CD2-CG 3.53Å; W250-M425 HydrophobicContact CE3-CG 4.14Å; W250-M425 HydrophobicContact CG-CB 3.84Å; W250-M425 HydrophobicContact CG-CG 3.28Å; T421-M425 PolarHBondContact O-N 3.45Å; Y422-M425 WeakPolarHBondContact O-CB 3.3Å; Y422-M425 PolarHBondContact O-N 3.49Å; N423-M425 VanDerWaalsContact C-N 3.26Å; N423-M425 PolarHBondContact O-N 2.97Å; M425-N427 VanDerWaalsContact C-N 3.29Å; M425-N427 PolarHBondContact O-N 3.41Å; M425-A428 PolarHBondContact O-N 3.49Å; M425-V429 WeakPolarHBondContact O-CG2 3.48Å; M425-V429 PolarHBondContact O-N 2.95Å
426	N	91.9	Very high	88	Confident	18 Å²	18	41.4 Å²	41.4	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-52.6	-49.2	172.7	-81.1	-29.7	0	0	0	111.3	W250 F327 Y422 N423 V429 I430	W250-N426 PolarHBondContact NE1-OD1 2.84Å; F327-N426 HydrophobicContact CE2-CB 4.34Å; Y422-N426 WeakPolarHBondContact CE1-ND2 3.37Å; Y422-N426 PolarHBondContact O-N 3.48Å; N423-N426 WeakPolarHBondContact O-CB 3.41Å; N423-N426 PolarHBondContact O-N 3.28Å; N426-V429 PolarHBondContact O-N 3.34Å; N426-I430 WeakPolarHBondContact O-CB 3.36Å; N426-I430 WeakPolarHBondContact O-CD1 3.37Å; N426-I430 WeakPolarHBondContact O-CG1 3.22Å; N426-I430 PolarHBondContact O-N 2.71Å
427	N	92.9	Very high	89.2	Confident	23 Å²	23	40.4 Å²	40.4	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-44	-176.5	-71.7	-22.3	0	0	0	112.4	R410 S413 N423 S424 M425 V429 I430 D431	R410-N427 HydrophobicContact CB-CB 4.01Å; R410-N427 HydrophobicContact CG-CB 3.75Å; S413-N427 PolarHBondContact OG-ND2 2.72Å; N423-N427 VanDerWaalsContact O-CG 3.3Å; N423-N427 PolarHBondContact O-N 2.89Å; N423-N427 PolarHBondContact O-ND2 3.12Å; S424-N427 PolarHBondContact O-N 3.32Å; M425-N427 VanDerWaalsContact C-N 3.29Å; M425-N427 PolarHBondContact O-N 3.41Å; N427-V429 VanDerWaalsContact C-N 3.35Å; N427-V429 PolarHBondContact O-N 3.39Å; N427-I430 PolarHBondContact O-N 3.03Å; N427-D431 PolarHBondContact O-N 2.87Å
428	A	92.5	Very high	90.5	Very high	26 Å²	26	33 Å²	33	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-43.3	177.3	0	0	0	0	0	111.8	F215 S424 M425 D431 V432	F215-A428 HydrophobicContact CD1-CB 4.2Å; S424-A428 WeakPolarHBondContact O-CB 3.37Å; S424-A428 PolarHBondContact O-N 2.86Å; M425-A428 PolarHBondContact O-N 3.49Å; A428-D431 PolarHBondContact O-N 3.13Å; A428-V432 WeakPolarHBondContact O-CG2 3.43Å; A428-V432 PolarHBondContact O-N 3.1Å
429	V	94.3	Very high	91.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-41.9	177.7	177.6	0	0	0	0	111	F215 W250 F327 M425 N426 N427 D431 V432 I433	F215-V429 HydrophobicContact CD1-CG2 4.48Å; F215-V429 HydrophobicContact CD2-CG2 4.14Å; F215-V429 HydrophobicContact CE1-CG2 3.83Å; F215-V429 HydrophobicContact CE2-CG2 3.41Å; F215-V429 VanDerWaalsContact CE2-CG2 3.41Å; F215-V429 HydrophobicContact CZ-CB 4.2Å; F215-V429 HydrophobicContact CZ-CG2 3.25Å; W250-V429 HydrophobicContact CE3-CG2 4.45Å; W250-V429 HydrophobicContact CH2-CB 3.94Å; W250-V429 HydrophobicContact CH2-CG1 3.68Å; W250-V429 HydrophobicContact CH2-CG2 3.38Å; W250-V429 HydrophobicContact CZ2-CB 3.77Å; W250-V429 HydrophobicContact CZ2-CG1 3.87Å; W250-V429 HydrophobicContact CZ2-CG2 3.38Å; W250-V429 HydrophobicContact CZ3-CG2 3.92Å; F327-V429 HydrophobicContact CE1-CB 4.44Å; F327-V429 HydrophobicContact CE1-CG1 3.7Å; F327-V429 HydrophobicContact CZ-CB 3.95Å; F327-V429 HydrophobicContact CZ-CG1 3.68Å; M425-V429 WeakPolarHBondContact O-CG2 3.48Å; M425-V429 PolarHBondContact O-N 2.95Å; N426-V429 PolarHBondContact O-N 3.34Å; N427-V429 VanDerWaalsContact C-N 3.35Å; N427-V429 PolarHBondContact O-N 3.39Å; V429-D431 VanDerWaalsContact C-N 3.35Å; V429-D431 PolarHBondContact O-N 2.82Å; V429-V432 PolarHBondContact O-N 2.82Å; V429-I433 HydrophobicContact CG1-CD1 3.83Å; V429-I433 HydrophobicContact CG1-CG1 4.4Å; V429-I433 WeakPolarHBondContact O-CG1 3.36Å; V429-I433 PolarHBondContact O-N 3.42Å
430	I	95.8	Very high	92.3	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-44.1	176.3	-71.7	165.6	0	0	0	110.9	F327 L330 I331 T334 N426 N427 I433 A434	F327-I430 HydrophobicContact CE2-CD1 4.18Å; F327-I430 HydrophobicContact CE2-CG1 4.04Å; F327-I430 HydrophobicContact CZ-CG1 3.99Å; L330-I430 HydrophobicContact CB-CD1 4.09Å; I331-I430 HydrophobicContact CG1-CG1 4.33Å; T334-I430 HydrophobicContact CG2-CG2 3.84Å; T334-I430 VanDerWaalsContact OG1-CG2 3.32Å; T334-I430 WeakPolarHBondContact OG1-CG2 3.32Å; N426-I430 WeakPolarHBondContact O-CB 3.36Å; N426-I430 WeakPolarHBondContact O-CD1 3.37Å; N426-I430 WeakPolarHBondContact O-CG1 3.22Å; N426-I430 PolarHBondContact O-N 2.71Å; N427-I430 PolarHBondContact O-N 3.03Å; I430-I433 PolarHBondContact O-N 3.24Å; I430-A434 VanDerWaalsContact O-CB 3.24Å; I430-A434 WeakPolarHBondContact O-CB 3.46Å; I430-A434 PolarHBondContact O-N 3.25Å
431	D	96	Very high	93.1	Very high	13 Å²	13	22.5 Å²	22.5	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-42.6	177.4	-76	-24.7	0	0	0	111.4	Y383 A385 R410 N427 A428 V429 I433 A434 L435	Y383-D431 PolarHBondContact OH-OD1 2.74Å; A385-D431 HydrophobicContact CB-CB 3.98Å; R410-D431 IonicContact CZ-OD1 3.93Å; R410-D431 IonicContact NE-OD1 3.07Å; R410-D431 PolarHBondContact NE-OD1 3.37Å; R410-D431 IonicContact NE-OD2 3.78Å; R410-D431 IonicContact NH2-OD1 3.89Å; R410-D431 PolarHBondContact NH2-OD1 3.22Å; N427-D431 PolarHBondContact O-N 2.87Å; A428-D431 PolarHBondContact O-N 3.13Å; V429-D431 VanDerWaalsContact C-N 3.35Å; V429-D431 PolarHBondContact O-N 2.82Å; D431-I433 PolarHBondContact O-N 2.67Å; D431-A434 PolarHBondContact O-N 3.23Å; D431-L435 WeakPolarHBondContact O-CB 3.38Å; D431-L435 WeakPolarHBondContact O-CG 3.21Å; D431-L435 PolarHBondContact O-N 2.85Å
432	V	97	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-49.2	174.5	164.1	0	0	0	0	111.8	F215 A428 V429 A434 L435 S436 I449 L452 A453 L456	F215-V432 HydrophobicContact CE1-CG2 4.11Å; A428-V432 WeakPolarHBondContact O-CG2 3.43Å; A428-V432 PolarHBondContact O-N 3.1Å; V429-V432 PolarHBondContact O-N 2.82Å; V432-A434 VanDerWaalsContact C-N 3.34Å; V432-A434 PolarHBondContact O-N 3.42Å; V432-L435 PolarHBondContact O-N 3.29Å; V432-S436 PolarHBondContact O-N 3.04Å; V432-I449 HydrophobicContact CG2-CB 4.42Å; V432-I449 HydrophobicContact CG2-CD1 4.12Å; V432-I449 HydrophobicContact CG2-CG2 3.63Å; V432-L452 HydrophobicContact CG1-CB 4.32Å; V432-L452 HydrophobicContact CG1-CD2 3.93Å; V432-L452 HydrophobicContact CG1-CG 3.82Å; V432-A453 HydrophobicContact CG1-CB 4.4Å; V432-L456 HydrophobicContact CG1-CD1 3.7Å
433	I	97.3	Very high	93.5	Very high	25 Å²	25	16.4 Å²	16.4	13%	0.128	9%	0.09	C	C	.	.	H	α-helix	trans	-64.3	-43.4	179.7	-67.6	171	0	0	0	109.9	I331 V429 I430 D431 S436 M437	I331-I433 HydrophobicContact CD1-CD1 3.46Å; I331-I433 VanDerWaalsContact CD1-CD1 3.46Å; I331-I433 HydrophobicContact CG1-CD1 3.94Å; I331-I433 HydrophobicContact CG2-CG2 3.66Å; V429-I433 HydrophobicContact CG1-CD1 3.83Å; V429-I433 HydrophobicContact CG1-CG1 4.4Å; V429-I433 WeakPolarHBondContact O-CG1 3.36Å; V429-I433 PolarHBondContact O-N 3.42Å; I430-I433 PolarHBondContact O-N 3.24Å; D431-I433 PolarHBondContact O-N 2.67Å; I433-S436 PolarHBondContact O-N 2.94Å; I433-S436 PolarHBondContact O-OG 3.01Å; I433-M437 HydrophobicContact CG2-CG 4.35Å; I433-M437 WeakPolarHBondContact O-CB 3.49Å; I433-M437 WeakPolarHBondContact O-CG 3.36Å; I433-M437 PolarHBondContact O-N 3.5Å; I433-M437 VanDerWaalsContact O-N 3.11Å
434	A	97.1	Very high	93.2	Very high	1 Å²	1	12 Å²	12	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-63.2	-43.4	178.4	0	0	0	0	0	112.7	T334 L335 F338 Y383 I430 D431 V432 S436 M437 T438	T334-A434 HydrophobicContact CG2-CB 4.04Å; L335-A434 HydrophobicContact CD2-CB 4.32Å; F338-A434 HydrophobicContact CE1-CB 3.97Å; F338-A434 HydrophobicContact CZ-CB 4.29Å; Y383-A434 HydrophobicContact CD1-CB 4.26Å; Y383-A434 HydrophobicContact CD2-CB 4.36Å; Y383-A434 HydrophobicContact CE1-CB 3.55Å; Y383-A434 HydrophobicContact CE2-CB 3.64Å; Y383-A434 WeakPolarHBondContact OH-CB 3.32Å; I430-A434 VanDerWaalsContact O-CB 3.24Å; I430-A434 WeakPolarHBondContact O-CB 3.46Å; I430-A434 PolarHBondContact O-N 3.25Å; D431-A434 PolarHBondContact O-N 3.23Å; V432-A434 VanDerWaalsContact C-N 3.34Å; V432-A434 PolarHBondContact O-N 3.42Å; A434-S436 PolarHBondContact O-N 3.06Å; A434-M437 WeakPolarHBondContact O-CA 3.39Å; A434-M437 WeakPolarHBondContact O-CB 3.39Å; A434-M437 PolarHBondContact O-N 3.38Å; A434-M437 VanDerWaalsContact O-N 3.07Å; A434-T438 WeakPolarHBondContact O-CG2 3.32Å; A434-T438 PolarHBondContact O-N 2.87Å
435	L	97.4	Very high	93	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.9	-46.6	172.8	-72.8	167	0	0	0	111.4	H349 Y383 A385 D431 V432 M437 T438 L441 A453	H349-L435 HydrophobicContact CB-CD1 3.84Å; H349-L435 HydrophobicContact CB-CD2 4.24Å; Y383-L435 HydrophobicContact CD1-CD2 3.96Å; Y383-L435 HydrophobicContact CD1-CG 4.27Å; Y383-L435 HydrophobicContact CE1-CD2 4.37Å; Y383-L435 HydrophobicContact CE1-CG 4.23Å; A385-L435 HydrophobicContact CB-CD1 3.79Å; A385-L435 HydrophobicContact CB-CD2 4.11Å; A385-L435 HydrophobicContact CB-CG 4.07Å; D431-L435 WeakPolarHBondContact O-CB 3.38Å; D431-L435 WeakPolarHBondContact O-CG 3.21Å; D431-L435 PolarHBondContact O-N 2.85Å; V432-L435 PolarHBondContact O-N 3.29Å; L435-M437 PolarHBondContact O-N 2.94Å; L435-M437 VanDerWaalsContact O-N 3.1Å; L435-T438 WeakPolarHBondContact O-CB 3.24Å; L435-T438 PolarHBondContact O-N 3.49Å; L435-T438 VanDerWaalsContact O-N 3.17Å; L435-T438 PolarHBondContact O-OG1 2.98Å; L435-L441 HydrophobicContact CB-CD1 4.06Å; L435-L441 HydrophobicContact CD2-CD1 3.87Å; L435-L441 HydrophobicContact CG-CD1 4.45Å; L435-A453 HydrophobicContact CB-CB 3.71Å; L435-A453 HydrophobicContact CD1-CB 4.31Å
436	S	97.5	Very high	92.5	Very high	7 Å²	7	12.6 Å²	12.6	5%	0.049	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-21.2	177.6	79	0	0	0	0	113.5	V432 I433 A434 A453 R460	V432-S436 PolarHBondContact O-N 3.04Å; I433-S436 PolarHBondContact O-N 2.94Å; I433-S436 PolarHBondContact O-OG 3.01Å; A434-S436 PolarHBondContact O-N 3.06Å; S436-A453 WeakPolarHBondContact CA-O 3.39Å; S436-A453 WeakPolarHBondContact CB-O 3.41Å; S436-R460 VanDerWaalsContact O-CD 3.24Å; S436-R460 WeakPolarHBondContact O-CD 3.29Å; S436-R460 PolarHBondContact O-NH1 2.74Å
437	M	96.3	Very high	92.2	Very high	42 Å²	42	11.7 Å²	11.7	21%	0.207	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	4.2	-176.6	-72.1	-64.5	-96.1	0	0	114	L335 F338 K339 I433 A434 L435 R460	L335-M437 HydrophobicContact CD1-CE 3.93Å; L335-M437 HydrophobicContact CD1-CG 4.28Å; L335-M437 HydrophobicContact CD2-CB 3.59Å; L335-M437 HydrophobicContact CD2-CG 3.82Å; F338-M437 HydrophobicContact CZ-CB 4.24Å; K339-M437 WeakPolarHBondContact CE-O 3.39Å; K339-M437 PolarHBondContact NZ-O 3.37Å; I433-M437 HydrophobicContact CG2-CG 4.35Å; I433-M437 WeakPolarHBondContact O-CB 3.49Å; I433-M437 WeakPolarHBondContact O-CG 3.36Å; I433-M437 PolarHBondContact O-N 3.5Å; I433-M437 VanDerWaalsContact O-N 3.11Å; A434-M437 WeakPolarHBondContact O-CA 3.39Å; A434-M437 WeakPolarHBondContact O-CB 3.39Å; A434-M437 PolarHBondContact O-N 3.38Å; A434-M437 VanDerWaalsContact O-N 3.07Å; L435-M437 PolarHBondContact O-N 2.94Å; L435-M437 VanDerWaalsContact O-N 3.1Å; M437-R460 VanDerWaalsContact CA-NH1 3.27Å; M437-R460 PolarHBondContact O-NH1 3.31Å; M437-R460 PolarHBondContact O-NH2 3.43Å; M437-R460 VanDerWaalsContact SD-CD 3.57Å; M437-R460 HydrophobicContact SD-CG 4.24Å
438	T	94.9	Very high	91.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-82.7	165.6	173	64	0	0	0	0	112.8	F338 V345 G347 A434 L435 F440 R460	F338-T438 HydrophobicContact CE2-CG2 4.25Å; V345-T438 HydrophobicContact CG1-CG2 4.25Å; V345-T438 WeakPolarHBondContact O-CB 3.44Å; G347-T438 WeakPolarHBondContact CA-OG1 3.45Å; G347-T438 PolarHBondContact N-OG1 3.24Å; A434-T438 WeakPolarHBondContact O-CG2 3.32Å; A434-T438 PolarHBondContact O-N 2.87Å; L435-T438 WeakPolarHBondContact O-CB 3.24Å; L435-T438 PolarHBondContact O-N 3.49Å; L435-T438 VanDerWaalsContact O-N 3.17Å; L435-T438 PolarHBondContact O-OG1 2.98Å; T438-F440 PolarHBondContact OG1-O 3.38Å; T438-R460 PolarHBondContact O-NH1 3.49Å
439	D	92.3	Very high	91.8	Very high	47 Å²	47	12.2 Å²	12.2	25%	0.251	7%	0.065	S	C	.	.	S	Bend	trans	-80	-22.7	-178.7	-64.8	-89.6	0	0	0	113.3	P344 V345 R372	P344-D439 VanDerWaalsContact CA-OD2 3.28Å; P344-D439 WeakPolarHBondContact CA-OD2 3.15Å; P344-D439 HydrophobicContact CB-CB 4.45Å; V345-D439 PolarHBondContact N-OD2 3.47Å; V345-D439 PolarHBondContact O-N 2.94Å; R372-D439 IonicContact NH1-OD1 3.82Å
440	F	92.3	Very high	91.7	Very high	18 Å²	18	12.2 Å²	12.2	8%	0.079	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	139.4	177.8	-165.6	-91.7	0	0	0	109.4	V346 G347 T438 V442 Q469 L470 H472	V346-F440 CarbonylContact C-O 3.51Å; V346-F440 WeakPolarHBondContact CA-O 3.48Å; V346-F440 HydrophobicContact CG1-CD1 4.44Å; V346-F440 HydrophobicContact CG2-CB 4.49Å; G347-F440 PolarHBondContact N-O 3.48Å; T438-F440 PolarHBondContact OG1-O 3.38Å; F440-V442 HydrophobicContact CD1-CG2 3.97Å; F440-V442 HydrophobicContact CE1-CG2 3.97Å; F440-Q469 WeakPolarHBondContact CE2-O 3.4Å; F440-L470 WeakPolarHBondContact CA-O 3.38Å; F440-L470 HydrophobicContact CD2-CB 4.38Å; F440-L470 HydrophobicContact CD2-CD2 4.37Å; F440-H472 HydrophobicContact CE1-CB 3.81Å; F440-H472 HydrophobicContact CZ-CB 3.98Å
441	L	92.5	Very high	91.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.3	-177.5	-177	61.8	0	0	0	111.8	G347 L435 A453 M457 L470 C471 H472	G347-L441 CarbonylContact O-C 3.57Å; G347-L441 WeakPolarHBondContact O-CA 3.37Å; L435-L441 HydrophobicContact CB-CD1 4.06Å; L435-L441 HydrophobicContact CD2-CD1 3.87Å; L435-L441 HydrophobicContact CG-CD1 4.45Å; L441-A453 HydrophobicContact CD2-CB 4.05Å; L441-M457 HydrophobicContact CB-CE 3.87Å; L441-L470 PolarHBondContact N-O 3.1Å; L441-C471 HydrophobicContact CB-CB 4.11Å; L441-C471 CarbonylContact O-C 3.53Å; L441-C471 WeakPolarHBondContact O-CA 3.42Å; L441-C471 PolarHBondContact O-SG 3.3Å; L441-H472 PolarHBondContact O-N 3.24Å
442	V	89.5	Confident	91.4	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.4	172.7	176.9	0	0	0	0	109.1	V346 G347 V348 H349 L362 I365 F440 H472	V346-V442 HydrophobicContact CG1-CG2 3.89Å; G347-V442 PolarHBondContact O-N 2.95Å; V348-V442 WeakPolarHBondContact CA-O 3.49Å; V348-V442 HydrophobicContact CG2-CB 4.36Å; H349-V442 PolarHBondContact N-O 2.88Å; L362-V442 HydrophobicContact CD1-CG1 4.29Å; I365-V442 HydrophobicContact CD1-CB 4.19Å; I365-V442 HydrophobicContact CD1-CG1 3.11Å; I365-V442 HydrophobicContact CD1-CG2 4.15Å; I365-V442 HydrophobicContact CG1-CG1 3.99Å; I365-V442 HydrophobicContact CG2-CG2 4.31Å; F440-V442 HydrophobicContact CD1-CG2 3.97Å; F440-V442 HydrophobicContact CE1-CG2 3.97Å; V442-H472 WeakPolarHBondContact CA-O 3.38Å
443	C	88.9	Confident	91.4	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.02	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-162.8	-179.5	71.2	0	0	0	0	113.2	H349 C450 H472 S473 I474	H349-C443 HydrophobicContact CB-CB 3.9Å; C443-C450 HydrophobicContact CB-CB 3.44Å; C443-C450 VanDerWaalsContact CB-CB 3.44Å; C443-C450 WeakPolarHBondContact CB-SG 3.27Å; C443-C450 WeakPolarHBondContact SG-CB 3.03Å; C443-C450 CovalentContact SG-SG 1.97Å; C443-C450 PolarHBondContact SG-SG 3.39Å; C443-H472 PolarHBondContact N-O 3.3Å; C443-S473 CarbonylContact O-C 3.59Å; C443-S473 VanDerWaalsContact O-CA 3.26Å; C443-S473 WeakPolarHBondContact O-CA 3.42Å; C443-I474 PolarHBondContact O-N 2.98Å
444	T	83.5	Confident	91.3	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	6%	0.059	C	C	.	.			trans	-112.5	128.3	160.1	41.1	0	0	0	0	111.5	L357 S446 S447 C450 I474 D475	L357-T444 HydrophobicContact CD1-CG2 3.39Å; L357-T444 HydrophobicContact CD2-CG2 4.07Å; L357-T444 HydrophobicContact CG-CG2 4.39Å; T444-S446 PolarHBondContact O-N 2.77Å; T444-S447 WeakPolarHBondContact O-CB 3.05Å; T444-S447 PolarHBondContact O-N 3.32Å; T444-C450 WeakPolarHBondContact O-CB 3.37Å; T444-I474 HydrophobicContact CG2-CD1 3.77Å; T444-I474 HydrophobicContact CG2-CG1 3.29Å; T444-D475 VanDerWaalsContact CA-OD1 3.26Å; T444-D475 WeakPolarHBondContact CA-OD1 3.3Å; T444-D475 VanDerWaalsContact CB-CG 3.48Å; T444-D475 WeakPolarHBondContact CB-OD1 3.43Å; T444-D475 WeakPolarHBondContact CB-OD2 3.34Å; T444-D475 HydrophobicContact CG2-CB 3.98Å; T444-D475 VanDerWaalsContact CG2-CG 3.41Å; T444-D475 WeakPolarHBondContact CG2-OD2 3.5Å
445	F	83.9	Confident	91.2	Very high	10 Å²	10	11.8 Å²	11.8	4%	0.044	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.9	175.6	-75	-33.3	0	0	0	113.6	S447 C450 R451 Y454 C471 S473 D475 F476 F478	F445-S447 PolarHBondContact O-N 2.89Å; F445-C450 HydrophobicContact CD1-CB 4.45Å; F445-R451 HydrophobicContact CB-CG 4.11Å; F445-R451 HydrophobicContact CD1-CG 3.82Å; F445-R451 HydrophobicContact CG-CG 4.25Å; F445-R451 WeakPolarHBondContact O-CD 3.3Å; F445-R451 WeakPolarHBondContact O-CG 3.43Å; F445-R451 PolarHBondContact O-NE 3.31Å; F445-Y454 HydrophobicContact CE1-CD1 4.12Å; F445-Y454 HydrophobicContact CE1-CG 4.05Å; F445-Y454 AromaticContact CZ-CD1 3.89Å; F445-Y454 HydrophobicContact CZ-CD1 3.89Å; F445-Y454 HydrophobicContact CZ-CD2 4.41Å; F445-Y454 HydrophobicContact CZ-CE1 4.18Å; F445-Y454 AromaticContact CZ-CG 3.97Å; F445-Y454 HydrophobicContact CZ-CG 3.97Å; F445-C471 HydrophobicContact CZ-CB 4.21Å; F445-C471 WeakPolarHBondContact CZ-SG 3.49Å; F445-S473 PolarHBondContact N-OG 3.21Å; F445-D475 PolarHBondContact N-OD1 2.63Å; F445-F476 WeakPolarHBondContact CD2-O 3.12Å; F445-F478 HydrophobicContact CD1-CD2 4.03Å; F445-F478 HydrophobicContact CD2-CB 3.71Å; F445-F478 HydrophobicContact CD2-CD2 4.27Å; F445-F478 HydrophobicContact CD2-CG 4.5Å; F445-F478 AromaticContact CE1-CD2 3.82Å; F445-F478 HydrophobicContact CE1-CD2 3.82Å; F445-F478 HydrophobicContact CE2-CB 3.44Å; F445-F478 VanDerWaalsContact CE2-CB 3.44Å; F445-F478 HydrophobicContact CE2-CD2 4.07Å; F445-F478 HydrophobicContact CE2-CG 4.26Å; F445-F478 HydrophobicContact CG-CB 4.44Å; F445-F478 HydrophobicContact CG-CD2 4.25Å; F445-F478 HydrophobicContact CZ-CB 3.97Å; F445-F478 AromaticContact CZ-CD2 3.82Å; F445-F478 HydrophobicContact CZ-CD2 3.82Å; F445-F478 HydrophobicContact CZ-CG 4.36Å
446	S	78.8	Confident	91.3	Very high	16 Å²	16	12.3 Å²	12.3	11%	0.112	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.5	161	62.7	0	0	0	0	113.1	K355 T444 D475 E481	K355-S446 PolarHBondContact NZ-O 2.99Å; T444-S446 PolarHBondContact O-N 2.77Å; S446-D475 WeakPolarHBondContact CB-OD2 3.36Å; S446-D475 PolarHBondContact N-OD2 3.47Å; S446-D475 PolarHBondContact OG-OD2 3.09Å; S446-E481 WeakPolarHBondContact CA-OE1 3.36Å
447	S	85.6	Confident	91.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-91.9	119.1	173.9	-171.1	0	0	0	0	111.7	H349 R351 T444 F445 I449 C450 R451	H349-S447 PolarHBondContact CE1-OG 2.9Å; R351-S447 PolarHBondContact NH1-OG 3.2Å; T444-S447 WeakPolarHBondContact O-CB 3.05Å; T444-S447 PolarHBondContact O-N 3.32Å; F445-S447 PolarHBondContact O-N 2.89Å; S447-I449 PolarHBondContact O-N 3.07Å; S447-I449 VanDerWaalsContact O-N 3.11Å; S447-I449 PolarHBondContact OG-N 3.19Å; S447-C450 PolarHBondContact O-N 3.07Å; S447-R451 PolarHBondContact O-N 3.21Å; S447-R451 VanDerWaalsContact O-N 3.1Å
448	N	86.9	Confident	91.2	Very high	34 Å²	34	10 Å²	10	18%	0.182	5%	0.051	C	C	.	.	H	α-helix	trans	-52.8	-32.5	170.4	-65.7	-66.6	0	0	0	112.4	H220 R451 L452	H220-N448 PolarHBondContact CE1-O 2.67Å; H220-N448 PolarHBondContact ND1-OD1 2.83Å; N448-R451 PolarHBondContact O-N 3.26Å; N448-R451 PolarHBondContact OD1-NH2 3.29Å; N448-L452 VanDerWaalsContact O-CB 3.28Å; N448-L452 WeakPolarHBondContact O-CB 3.22Å; N448-L452 PolarHBondContact O-N 3.38Å
449	I	90.9	Very high	91.4	Very high	26 Å²	26	12 Å²	12	13%	0.133	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-44.6	177	-62.9	-60.3	0	0	0	111	F215 H349 V432 S447 A453	F215-I449 HydrophobicContact CD1-CD1 3.71Å; F215-I449 HydrophobicContact CE1-CD1 4.39Å; H349-I449 WeakPolarHBondContact NE2-CG2 3.28Å; V432-I449 HydrophobicContact CG2-CB 4.42Å; V432-I449 HydrophobicContact CG2-CD1 4.12Å; V432-I449 HydrophobicContact CG2-CG2 3.63Å; S447-I449 PolarHBondContact O-N 3.07Å; S447-I449 VanDerWaalsContact O-N 3.11Å; S447-I449 PolarHBondContact OG-N 3.19Å; I449-A453 PolarHBondContact O-N 3.44Å
450	C	91.8	Very high	91.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-70.9	-43.7	178	-174.4	0	0	0	0	111.9	C443 T444 F445 S447 L452 A453 Y454	C443-C450 HydrophobicContact CB-CB 3.44Å; C443-C450 VanDerWaalsContact CB-CB 3.44Å; C443-C450 WeakPolarHBondContact CB-SG 3.27Å; C443-C450 WeakPolarHBondContact SG-CB 3.03Å; C443-C450 CovalentContact SG-SG 1.97Å; C443-C450 PolarHBondContact SG-SG 3.39Å; T444-C450 WeakPolarHBondContact O-CB 3.37Å; F445-C450 HydrophobicContact CD1-CB 4.45Å; S447-C450 PolarHBondContact O-N 3.07Å; C450-L452 VanDerWaalsContact C-N 3.26Å; C450-L452 PolarHBondContact O-N 2.85Å; C450-A453 PolarHBondContact O-N 3.25Å; C450-A453 VanDerWaalsContact O-N 3.12Å; C450-Y454 PolarHBondContact O-N 2.93Å
451	R	91.6	Very high	91.6	Very high	25 Å²	25	10.2 Å²	10.2	9%	0.094	5%	0.052	C	C	.	.	H	α-helix	trans	-56.1	-45	177.2	-70.9	-160.3	-73	108.2	-3.4	111.1	F445 S447 N448 A453 Y454 E455 F478 E481	F445-R451 HydrophobicContact CB-CG 4.11Å; F445-R451 HydrophobicContact CD1-CG 3.82Å; F445-R451 HydrophobicContact CG-CG 4.25Å; F445-R451 WeakPolarHBondContact O-CD 3.3Å; F445-R451 WeakPolarHBondContact O-CG 3.43Å; F445-R451 PolarHBondContact O-NE 3.31Å; S447-R451 PolarHBondContact O-N 3.21Å; S447-R451 VanDerWaalsContact O-N 3.1Å; N448-R451 PolarHBondContact O-N 3.26Å; N448-R451 PolarHBondContact OD1-NH2 3.29Å; R451-A453 PolarHBondContact O-N 3.31Å; R451-Y454 PolarHBondContact O-N 3.38Å; R451-E455 WeakPolarHBondContact O-CB 3.28Å; R451-E455 WeakPolarHBondContact O-CG 3.39Å; R451-E455 PolarHBondContact O-N 3.39Å; R451-F478 HydrophobicContact CB-CD2 4.47Å; R451-F478 HydrophobicContact CB-CE2 3.74Å; R451-F478 HydrophobicContact CG-CD2 4.03Å; R451-F478 HydrophobicContact CG-CE2 3.76Å; R451-E481 IonicContact CZ-OE2 3.86Å; R451-E481 IonicContact NE-OE2 2.71Å; R451-E481 PolarHBondContact NE-OE2 3.48Å; R451-E481 IonicContact NH2-OE2 3.26Å; R451-E481 PolarHBondContact NH2-OE2 3.24Å
452	L	93.8	Very high	91.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-41.4	176.1	-174.1	60.7	0	0	0	113.1	F215 M219 M223 A317 V432 N448 C450 E455 L456	F215-L452 HydrophobicContact CE1-CD2 3.82Å; F215-L452 HydrophobicContact CZ-CD2 3.99Å; M219-L452 HydrophobicContact CB-CD2 3.93Å; M219-L452 HydrophobicContact CG-CD2 3.95Å; M223-L452 HydrophobicContact SD-CD1 3.96Å; A317-L452 HydrophobicContact CB-CD1 3.82Å; V432-L452 HydrophobicContact CG1-CB 4.32Å; V432-L452 HydrophobicContact CG1-CD2 3.93Å; V432-L452 HydrophobicContact CG1-CG 3.82Å; N448-L452 VanDerWaalsContact O-CB 3.28Å; N448-L452 WeakPolarHBondContact O-CB 3.22Å; N448-L452 PolarHBondContact O-N 3.38Å; C450-L452 VanDerWaalsContact C-N 3.26Å; C450-L452 PolarHBondContact O-N 2.85Å; L452-E455 WeakPolarHBondContact CA-OE2 3.48Å; L452-E455 PolarHBondContact O-N 3.4Å; L452-L456 HydrophobicContact CG-CD1 4.32Å; L452-L456 WeakPolarHBondContact O-CB 3.35Å; L452-L456 WeakPolarHBondContact O-CG 3.48Å; L452-L456 PolarHBondContact O-N 3.2Å
453	A	97.1	Very high	91.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-40.7	175.4	0	0	0	0	0	112.1	V432 L435 S436 L441 I449 C450 R451 M457	V432-A453 HydrophobicContact CG1-CB 4.4Å; L435-A453 HydrophobicContact CB-CB 3.71Å; L435-A453 HydrophobicContact CD1-CB 4.31Å; S436-A453 WeakPolarHBondContact CA-O 3.39Å; S436-A453 WeakPolarHBondContact CB-O 3.41Å; L441-A453 HydrophobicContact CD2-CB 4.05Å; I449-A453 PolarHBondContact O-N 3.44Å; C450-A453 PolarHBondContact O-N 3.25Å; C450-A453 VanDerWaalsContact O-N 3.12Å; R451-A453 PolarHBondContact O-N 3.31Å; A453-M457 WeakPolarHBondContact O-CB 3.48Å; A453-M457 PolarHBondContact O-N 2.82Å
454	Y	95.3	Very high	91.6	Very high	10 Å²	10	22.7 Å²	22.7	4%	0.039	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-40.5	176.7	176.2	-114.9	0	0	0	112.6	V310 F445 C450 R451 M457 Q458 T468 C471 F478	V310-Y454 HydrophobicContact CB-CE1 4.32Å; V310-Y454 HydrophobicContact CG1-CD1 3.59Å; V310-Y454 HydrophobicContact CG1-CE1 3.35Å; V310-Y454 HydrophobicContact CG2-CE1 4.22Å; F445-Y454 HydrophobicContact CE1-CD1 4.12Å; F445-Y454 HydrophobicContact CE1-CG 4.05Å; F445-Y454 AromaticContact CZ-CD1 3.89Å; F445-Y454 HydrophobicContact CZ-CD1 3.89Å; F445-Y454 HydrophobicContact CZ-CD2 4.41Å; F445-Y454 HydrophobicContact CZ-CE1 4.18Å; F445-Y454 AromaticContact CZ-CG 3.97Å; F445-Y454 HydrophobicContact CZ-CG 3.97Å; C450-Y454 PolarHBondContact O-N 2.93Å; R451-Y454 PolarHBondContact O-N 3.38Å; Y454-M457 WeakPolarHBondContact O-CB 2.99Å; Y454-M457 PolarHBondContact O-N 3.36Å; Y454-Q458 WeakPolarHBondContact O-CG 3.09Å; Y454-Q458 PolarHBondContact O-N 3.29Å; Y454-Q458 PolarHBondContact O-NE2 3.49Å; Y454-T468 WeakPolarHBondContact OH-CA 3.37Å; Y454-T468 PolarHBondContact OH-O 2.97Å; Y454-C471 HydrophobicContact CD2-CB 3.35Å; Y454-C471 HydrophobicContact CE2-CB 3.46Å; Y454-C471 VanDerWaalsContact CE2-CB 3.46Å; Y454-C471 HydrophobicContact CG-CB 4.28Å; Y454-F478 AromaticContact CD1-CD2 3.29Å; Y454-F478 HydrophobicContact CD1-CD2 3.29Å; Y454-F478 AromaticContact CD1-CE2 3.48Å; Y454-F478 HydrophobicContact CD1-CE2 3.48Å; Y454-F478 VanDerWaalsContact CD1-CE2 3.48Å; Y454-F478 AromaticContact CD1-CG 3.92Å; Y454-F478 HydrophobicContact CD1-CG 3.92Å; Y454-F478 HydrophobicContact CD1-CZ 4.25Å; Y454-F478 HydrophobicContact CE1-CB 4.12Å; Y454-F478 HydrophobicContact CE1-CD1 4.29Å; Y454-F478 AromaticContact CE1-CD2 3.61Å; Y454-F478 HydrophobicContact CE1-CD2 3.61Å; Y454-F478 HydrophobicContact CE1-CE2 4.07Å; Y454-F478 AromaticContact CE1-CG 3.71Å; Y454-F478 HydrophobicContact CE1-CG 3.71Å; Y454-F478 HydrophobicContact CG-CD2 4.4Å
455	E	95.4	Very high	92	Very high	5 Å²	5	23 Å²	23	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-49.2	173.6	-71.4	153.5	-167.8	0	0	110.6	H220 M223 V310 A313 G314 R451 L452 M457 Q458 F478	H220-E455 IonicContact CD2-OE1 3.94Å; H220-E455 IonicContact CD2-OE2 3.61Å; H220-E455 PolarHBondContact CD2-OE2 2.67Å; H220-E455 IonicContact CE1-OE1 2.82Å; H220-E455 IonicContact CE1-OE2 3.22Å; H220-E455 VanDerWaalsContact NE2-CD 3.26Å; H220-E455 IonicContact NE2-OE1 3.5Å; H220-E455 PolarHBondContact NE2-OE1 2.9Å; H220-E455 IonicContact NE2-OE2 2.72Å; H220-E455 PolarHBondContact NE2-OE2 3.45Å; M223-E455 WeakPolarHBondContact CE-OE2 3.36Å; V310-E455 HydrophobicContact CG1-CG 4.22Å; A313-E455 HydrophobicContact CB-CG 4.04Å; G314-E455 WeakPolarHBondContact CA-O 3.49Å; R451-E455 WeakPolarHBondContact O-CB 3.28Å; R451-E455 WeakPolarHBondContact O-CG 3.39Å; R451-E455 PolarHBondContact O-N 3.39Å; L452-E455 WeakPolarHBondContact CA-OE2 3.48Å; L452-E455 PolarHBondContact O-N 3.4Å; E455-M457 VanDerWaalsContact C-N 3.3Å; E455-M457 PolarHBondContact O-N 2.82Å; E455-Q458 WeakPolarHBondContact O-CB 3.46Å; E455-Q458 PolarHBondContact O-N 2.98Å; E455-Q458 VanDerWaalsContact O-N 3.12Å; E455-F478 HydrophobicContact CG-CE2 4.12Å; E455-F478 HydrophobicContact CG-CZ 3.74Å; E455-F478 WeakPolarHBondContact OE1-CZ 3.46Å
456	L	97.6	Very high	92.3	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.063	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-35.4	175.5	-74.7	169.2	0	0	0	112.5	A317 A318 L321 V432 L452 Q458 T459	A317-L456 HydrophobicContact CB-CD2 3.74Å; A317-L456 HydrophobicContact CB-CG 4.13Å; A318-L456 HydrophobicContact CB-CD2 4.37Å; L321-L456 HydrophobicContact CD1-CD1 3.93Å; L321-L456 HydrophobicContact CD1-CD2 4.45Å; V432-L456 HydrophobicContact CG1-CD1 3.7Å; L452-L456 HydrophobicContact CG-CD1 4.32Å; L452-L456 WeakPolarHBondContact O-CB 3.35Å; L452-L456 WeakPolarHBondContact O-CG 3.48Å; L452-L456 PolarHBondContact O-N 3.2Å; L456-Q458 PolarHBondContact O-N 3.29Å; L456-T459 WeakPolarHBondContact O-CB 3.42Å; L456-T459 WeakPolarHBondContact O-CG2 3.49Å; L456-T459 PolarHBondContact O-N 3.05Å; L456-T459 PolarHBondContact O-OG1 3.04Å
457	M	97.7	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-33.8	175.4	-178.7	-177.7	-77	0	0	111.8	L441 A453 Y454 E455 T459 R460 L464 A467 L470	L441-M457 HydrophobicContact CB-CE 3.87Å; A453-M457 WeakPolarHBondContact O-CB 3.48Å; A453-M457 PolarHBondContact O-N 2.82Å; Y454-M457 WeakPolarHBondContact O-CB 2.99Å; Y454-M457 PolarHBondContact O-N 3.36Å; E455-M457 VanDerWaalsContact C-N 3.3Å; E455-M457 PolarHBondContact O-N 2.82Å; M457-T459 PolarHBondContact O-N 2.92Å; M457-R460 WeakPolarHBondContact O-CB 3.32Å; M457-R460 PolarHBondContact O-N 2.84Å; M457-R460 VanDerWaalsContact O-N 3.13Å; M457-L464 HydrophobicContact CG-CD1 3.8Å; M457-L464 HydrophobicContact SD-CD1 4.38Å; M457-A467 HydrophobicContact CG-CB 4Å; M457-A467 HydrophobicContact SD-CB 4.36Å; M457-L470 HydrophobicContact SD-CB 3.97Å
458	Q	95.7	Very high	93.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15	178.6	-52.9	-43.3	-56.2	0	0	113.4	H305 V310 Y454 E455 L456 R460 H461 A467	H305-Q458 PolarHBondContact CE1-OE1 3.43Å; H305-Q458 PolarHBondContact NE2-OE1 3.47Å; V310-Q458 HydrophobicContact CB-CG 4.22Å; V310-Q458 HydrophobicContact CG1-CG 3.55Å; Y454-Q458 WeakPolarHBondContact O-CG 3.09Å; Y454-Q458 PolarHBondContact O-N 3.29Å; Y454-Q458 PolarHBondContact O-NE2 3.49Å; E455-Q458 WeakPolarHBondContact O-CB 3.46Å; E455-Q458 PolarHBondContact O-N 2.98Å; E455-Q458 VanDerWaalsContact O-N 3.12Å; L456-Q458 PolarHBondContact O-N 3.29Å; Q458-R460 VanDerWaalsContact C-N 3.33Å; Q458-H461 PolarHBondContact O-CD2 3.32Å; Q458-H461 PolarHBondContact O-NE2 3.4Å; Q458-A467 PolarHBondContact NE2-O 3.16Å
459	T	97.3	Very high	93	Very high	41 Å²	41	27.3 Å²	27.3	25%	0.252	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.1	178.8	71.4	0	0	0	0	114.1	G314 A318 L456 M457 H461	G314-T459 WeakPolarHBondContact O-CG2 3.21Å; A318-T459 HydrophobicContact CB-CG2 4.04Å; L456-T459 WeakPolarHBondContact O-CB 3.42Å; L456-T459 WeakPolarHBondContact O-CG2 3.49Å; L456-T459 PolarHBondContact O-N 3.05Å; L456-T459 PolarHBondContact O-OG1 3.04Å; M457-T459 PolarHBondContact O-N 2.92Å; T459-H461 PolarHBondContact O-CE1 3.36Å; T459-H461 VanDerWaalsContact O-CE1 3.24Å; T459-H461 PolarHBondContact O-N 2.81Å; T459-H461 PolarHBondContact O-ND1 3.06Å
460	R	96	Very high	92.9	Very high	23 Å²	23	28.3 Å²	28.3	9%	0.087	14%	0.14	C	C	.	.			trans	-86	44.3	-174.7	-65.4	172.9	62.7	-155.6	-4.8	112.8	S436 M437 T438 M457 Q458 M462 E463 L464	S436-R460 VanDerWaalsContact O-CD 3.24Å; S436-R460 WeakPolarHBondContact O-CD 3.29Å; S436-R460 PolarHBondContact O-NH1 2.74Å; M437-R460 VanDerWaalsContact CA-NH1 3.27Å; M437-R460 PolarHBondContact O-NH1 3.31Å; M437-R460 PolarHBondContact O-NH2 3.43Å; M437-R460 VanDerWaalsContact SD-CD 3.57Å; M437-R460 HydrophobicContact SD-CG 4.24Å; T438-R460 PolarHBondContact O-NH1 3.49Å; M457-R460 WeakPolarHBondContact O-CB 3.32Å; M457-R460 PolarHBondContact O-N 2.84Å; M457-R460 VanDerWaalsContact O-N 3.13Å; Q458-R460 VanDerWaalsContact C-N 3.33Å; R460-M462 VanDerWaalsContact C-N 3.27Å; R460-M462 PolarHBondContact O-N 2.99Å; R460-M462 VanDerWaalsContact O-N 3.16Å; R460-E463 IonicContact CZ-OE2 3.5Å; R460-E463 VanDerWaalsContact CZ-OE2 3.3Å; R460-E463 IonicContact NE-OE2 3.99Å; R460-E463 PolarHBondContact NE-OE2 2.77Å; R460-E463 VanDerWaalsContact NE-OE2 3.09Å; R460-E463 IonicContact NH2-OE2 3.03Å; R460-E463 PolarHBondContact NH2-OE2 2.88Å; R460-E463 PolarHBondContact O-N 3.41Å; R460-L464 HydrophobicContact CB-CD1 4.13Å; R460-L464 HydrophobicContact CB-CG 4.25Å; R460-L464 PolarHBondContact O-N 3.38Å
461	H	93.8	Very high	92.8	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-39.6	-171.8	-36	106.7	0	0	0	113.4	V176 L179 N180 A183 W311 Q315 Q458 T459 E463 G465	V176-H461 WeakPolarHBondContact CG1-O 3.23Å; L179-H461 HydrophobicContact CB-CB 3.93Å; N180-H461 HydrophobicContact CB-CB 4.42Å; A183-H461 WeakPolarHBondContact CB-CE1 3.43Å; W311-H461 AromaticContact CD1-NE2 3.55Å; W311-H461 AromaticContact CE2-NE2 3.77Å; W311-H461 AromaticContact NE1-CD2 3.46Å; W311-H461 PolarHBondContact NE1-CD2 3.44Å; W311-H461 AromaticContact NE1-CE1 3.79Å; W311-H461 AromaticContact NE1-NE2 2.8Å; W311-H461 PolarHBondContact NE1-NE2 3.06Å; Q315-H461 PolarHBondContact NE2-CE1 3.29Å; Q315-H461 PolarHBondContact NE2-NE2 3.35Å; Q458-H461 PolarHBondContact O-CD2 3.32Å; Q458-H461 PolarHBondContact O-NE2 3.4Å; T459-H461 PolarHBondContact O-CE1 3.36Å; T459-H461 VanDerWaalsContact O-CE1 3.24Å; T459-H461 PolarHBondContact O-N 2.81Å; T459-H461 PolarHBondContact O-ND1 3.06Å; H461-E463 VanDerWaalsContact C-N 3.25Å; H461-E463 PolarHBondContact O-N 3.07Å; H461-G465 VanDerWaalsContact O-CA 3.26Å; H461-G465 WeakPolarHBondContact O-CA 2.77Å; H461-G465 PolarHBondContact O-N 2.89Å
462	M	92.4	Very high	92.4	Very high	121 Å²	121	31.9 Å²	31.9	60%	0.596	16%	0.16	S	C	*	.	H	α-helix	trans	-66.9	-27.8	-178.2	-64.6	-58.3	-59.4	0	0	112.9	V176 N180 R460	V176-M462 HydrophobicContact CG1-CE 4.28Å; V176-M462 HydrophobicContact CG1-SD 3.8Å; N180-M462 HydrophobicContact CB-SD 3.97Å; R460-M462 VanDerWaalsContact C-N 3.27Å; R460-M462 PolarHBondContact O-N 2.99Å; R460-M462 VanDerWaalsContact O-N 3.16Å
463	E	89.3	Confident	91.8	Very high	114 Å²	114	32.8 Å²	32.8	53%	0.533	17%	0.167	S	C	.	.	H	α-helix	trans	-95.8	-41.9	-178.7	-65.4	176	-157.4	0	0	111.9	K339 R460 H461	K339-E463 IonicContact NZ-OE2 3.69Å; R460-E463 IonicContact CZ-OE2 3.5Å; R460-E463 VanDerWaalsContact CZ-OE2 3.3Å; R460-E463 IonicContact NE-OE2 3.99Å; R460-E463 PolarHBondContact NE-OE2 2.77Å; R460-E463 VanDerWaalsContact NE-OE2 3.09Å; R460-E463 IonicContact NH2-OE2 3.03Å; R460-E463 PolarHBondContact NH2-OE2 2.88Å; R460-E463 PolarHBondContact O-N 3.41Å; H461-E463 VanDerWaalsContact C-N 3.25Å; H461-E463 PolarHBondContact O-N 3.07Å
464	L	90	Very high	90.9	Very high	32 Å²	32	34.5 Å²	34.5	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-114.4	-15.5	-168.4	-59.2	-177.8	0	0	0	114.2	M457 R460 D466 A467 L470	M457-L464 HydrophobicContact CG-CD1 3.8Å; M457-L464 HydrophobicContact SD-CD1 4.38Å; R460-L464 HydrophobicContact CB-CD1 4.13Å; R460-L464 HydrophobicContact CB-CG 4.25Å; R460-L464 PolarHBondContact O-N 3.38Å; L464-D466 PolarHBondContact O-N 3.31Å; L464-A467 HydrophobicContact CB-CB 4.19Å; L464-A467 HydrophobicContact CD1-CB 4.14Å; L464-L470 HydrophobicContact CB-CD1 3.93Å; L464-L470 HydrophobicContact CD1-CD1 3.86Å; L464-L470 HydrophobicContact CD2-CD1 3.89Å; L464-L470 HydrophobicContact CG-CD1 4.1Å
465	G	90.7	Very high	89.8	Confident	7 Å²	7	36 Å²	36	7%	0.072	18%	0.184	C	C	.	.	S	Bend	trans	66.8	-119.7	-169.9	0	0	0	0	0	111.5	H461	H461-G465 VanDerWaalsContact O-CA 3.26Å; H461-G465 WeakPolarHBondContact O-CA 2.77Å; H461-G465 PolarHBondContact O-N 2.89Å
466	D	90.9	Very high	88.5	Confident	26 Å²	26	39.8 Å²	39.8	14%	0.139	20%	0.2	C	C	.	.	S	Bend	trans	-90.8	112.2	171.3	174.8	-2.4	0	0	0	108.7	R175 L179 H305 E306 L464 T468	R175-D466 HydrophobicContact CG-CB 4.49Å; R175-D466 IonicContact NH1-OD2 2.89Å; L179-D466 HydrophobicContact CD1-CB 4.31Å; H305-D466 WeakPolarHBondContact CA-OD2 3.37Å; H305-D466 IonicContact CD2-OD1 2.95Å; H305-D466 IonicContact CE1-OD1 3.77Å; H305-D466 PolarHBondContact CE1-OD1 3Å; H305-D466 IonicContact CG-OD1 2.61Å; H305-D466 IonicContact ND1-OD1 2.71Å; H305-D466 IonicContact NE2-OD1 3.05Å; E306-D466 PolarHBondContact N-OD2 3.46Å; L464-D466 PolarHBondContact O-N 3.31Å; D466-T468 VanDerWaalsContact C-N 3.34Å; D466-T468 WeakPolarHBondContact OD1-CB 3.24Å; D466-T468 PolarHBondContact OD1-N 3.41Å; D466-T468 PolarHBondContact OD1-OG1 3.4Å
467	A	92.1	Very high	87	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.21	C	C	.	.			trans	-94.9	14.7	-175.3	0	0	0	0	0	112.8	M457 Q458 L464 Q469 L470	M457-A467 HydrophobicContact CG-CB 4Å; M457-A467 HydrophobicContact SD-CB 4.36Å; Q458-A467 PolarHBondContact NE2-O 3.16Å; L464-A467 HydrophobicContact CB-CB 4.19Å; L464-A467 HydrophobicContact CD1-CB 4.14Å; A467-Q469 PolarHBondContact O-N 3.11Å; A467-L470 HydrophobicContact CB-CB 4.42Å; A467-L470 HydrophobicContact CB-CD1 3.95Å; A467-L470 HydrophobicContact CB-CG 4.4Å; A467-L470 PolarHBondContact O-N 2.83Å; A467-L470 VanDerWaalsContact O-N 3.07Å
468	T	88.7	Confident	85.4	Confident	12 Å²	12	41.5 Å²	41.5	7%	0.074	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.2	-178	-59.1	0	0	0	0	111.5	H305 E306 A307 Y454 D466	H305-T468 PolarHBondContact CE1-OG1 3.36Å; H305-T468 PolarHBondContact ND1-OG1 2.8Å; E306-T468 HydrophobicContact CB-CG2 3.88Å; E306-T468 HydrophobicContact CG-CG2 3.95Å; A307-T468 HydrophobicContact CB-CG2 3.64Å; A307-T468 PolarHBondContact N-OG1 3.1Å; Y454-T468 WeakPolarHBondContact OH-CA 3.37Å; Y454-T468 PolarHBondContact OH-O 2.97Å; D466-T468 VanDerWaalsContact C-N 3.34Å; D466-T468 WeakPolarHBondContact OD1-CB 3.24Å; D466-T468 PolarHBondContact OD1-N 3.41Å; D466-T468 PolarHBondContact OD1-OG1 3.4Å
469	Q	84.7	Confident	83.6	Confident	112 Å²	112	42.9 Å²	42.9	52%	0.523	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4.7	-176.8	-62	-59.3	-36.8	0	0	114.4	E306 F440 A467 C471	E306-Q469 PolarHBondContact OE1-NE2 2.97Å; E306-Q469 WeakPolarHBondContact OE2-CG 3.42Å; E306-Q469 PolarHBondContact OE2-NE2 3.5Å; F440-Q469 WeakPolarHBondContact CE2-O 3.4Å; A467-Q469 PolarHBondContact O-N 3.11Å; Q469-C471 PolarHBondContact O-N 3.32Å
470	L	89.3	Confident	81.6	Confident	47 Å²	47	42.3 Å²	42.3	25%	0.246	21%	0.214	C	C	.	.	S	Bend	trans	-92.3	27.5	-177.9	-59	-178.7	0	0	0	112.6	F440 L441 M457 L464 A467	F440-L470 WeakPolarHBondContact CA-O 3.38Å; F440-L470 HydrophobicContact CD2-CB 4.38Å; F440-L470 HydrophobicContact CD2-CD2 4.37Å; L441-L470 PolarHBondContact N-O 3.1Å; M457-L470 HydrophobicContact SD-CB 3.97Å; L464-L470 HydrophobicContact CB-CD1 3.93Å; L464-L470 HydrophobicContact CD1-CD1 3.86Å; L464-L470 HydrophobicContact CD2-CD1 3.89Å; L464-L470 HydrophobicContact CG-CD1 4.1Å; A467-L470 HydrophobicContact CB-CB 4.42Å; A467-L470 HydrophobicContact CB-CD1 3.95Å; A467-L470 HydrophobicContact CB-CG 4.4Å; A467-L470 PolarHBondContact O-N 2.83Å; A467-L470 VanDerWaalsContact O-N 3.07Å
471	C	88.4	Confident	79.6	Confident	21 Å²	21	44.5 Å²	44.5	14%	0.142	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144.3	175.6	-174.1	0	0	0	0	112	L441 F445 Y454 Q469	L441-C471 HydrophobicContact CB-CB 4.11Å; L441-C471 CarbonylContact O-C 3.53Å; L441-C471 WeakPolarHBondContact O-CA 3.42Å; L441-C471 PolarHBondContact O-SG 3.3Å; F445-C471 HydrophobicContact CZ-CB 4.21Å; F445-C471 WeakPolarHBondContact CZ-SG 3.49Å; Y454-C471 HydrophobicContact CD2-CB 3.35Å; Y454-C471 HydrophobicContact CE2-CB 3.46Å; Y454-C471 VanDerWaalsContact CE2-CB 3.46Å; Y454-C471 HydrophobicContact CG-CB 4.28Å; Q469-C471 PolarHBondContact O-N 3.32Å
472	H	83.5	Confident	77.7	Confident	79 Å²	79	45.3 Å²	45.3	37%	0.366	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.5	170.8	-174.3	75	0	0	0	110.6	F440 L441 V442 C443	F440-H472 HydrophobicContact CE1-CB 3.81Å; F440-H472 HydrophobicContact CZ-CB 3.98Å; L441-H472 PolarHBondContact O-N 3.24Å; V442-H472 WeakPolarHBondContact CA-O 3.38Å; C443-H472 PolarHBondContact N-O 3.3Å
473	S	82.6	Confident	75.7	Confident	20 Å²	20	40.5 Å²	40.5	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.2	175.5	174.9	0	0	0	0	110.6	C443 F445 D475 F476	C443-S473 CarbonylContact O-C 3.59Å; C443-S473 VanDerWaalsContact O-CA 3.26Å; C443-S473 WeakPolarHBondContact O-CA 3.42Å; F445-S473 PolarHBondContact N-OG 3.21Å; S473-D475 PolarHBondContact OG-OD1 2.67Å; S473-F476 WeakPolarHBondContact CB-O 3.41Å; S473-F476 PolarHBondContact OG-O 3.42Å
474	I	77.4	Confident	74	Confident	35 Å²	35	44 Å²	44	18%	0.179	22%	0.219	C	C	.	.	S	Bend	trans	-87.5	-1.2	-175	67.1	175.8	0	0	0	114.2	K361 C443 T444	K361-I474 HydrophobicContact CB-CD1 3.96Å; K361-I474 HydrophobicContact CD-CD1 4.48Å; K361-I474 PolarHBondContact NZ-O 2.81Å; C443-I474 PolarHBondContact O-N 2.98Å; T444-I474 HydrophobicContact CG2-CD1 3.77Å; T444-I474 HydrophobicContact CG2-CG1 3.29Å
475	D	72.9	Confident	72.6	Confident	41 Å²	41	45.5 Å²	45.5	22%	0.219	22%	0.222	C	C	.	.	S	Bend	trans	-122.3	-66.3	179.9	60.1	-8.2	0	0	0	113.1	T444 F445 S446 S473	T444-D475 VanDerWaalsContact CA-OD1 3.26Å; T444-D475 WeakPolarHBondContact CA-OD1 3.3Å; T444-D475 VanDerWaalsContact CB-CG 3.48Å; T444-D475 WeakPolarHBondContact CB-OD1 3.43Å; T444-D475 WeakPolarHBondContact CB-OD2 3.34Å; T444-D475 HydrophobicContact CG2-CB 3.98Å; T444-D475 VanDerWaalsContact CG2-CG 3.41Å; T444-D475 WeakPolarHBondContact CG2-OD2 3.5Å; F445-D475 PolarHBondContact N-OD1 2.63Å; S446-D475 WeakPolarHBondContact CB-OD2 3.36Å; S446-D475 PolarHBondContact N-OD2 3.47Å; S446-D475 PolarHBondContact OG-OD2 3.09Å; S473-D475 PolarHBondContact OG-OD1 2.67Å
476	F	67.4	Low	71.4	Confident	85 Å²	85	45.3 Å²	45.3	37%	0.373	22%	0.22	S	C	.	.	S	Bend	trans	-123.7	147.2	-171.3	-63.4	-42	0	0	0	110.1	F445 S473 E480	F445-F476 WeakPolarHBondContact CD2-O 3.12Å; S473-F476 WeakPolarHBondContact CB-O 3.41Å; S473-F476 PolarHBondContact OG-O 3.42Å; F476-E480 HydrophobicContact CB-CB 3.84Å; F476-E480 HydrophobicContact CB-CG 4.49Å; F476-E480 WeakPolarHBondContact CD1-OE2 3.27Å; F476-E480 HydrophobicContact CG-CB 4.37Å
477	A	66.1	Low	70.8	Confident	32 Å²	32	48.1 Å²	48.1	26%	0.264	23%	0.231	S	C	.	.			trans	-62.6	154.2	163.5	0	0	0	0	0	110.3	H479 E480 Y483	A477-H479 PolarHBondContact O-N 2.76Å; A477-H479 VanDerWaalsContact O-N 3.1Å; A477-E480 HydrophobicContact CB-CG 4.18Å; A477-E480 PolarHBondContact N-OE1 3.18Å; A477-E480 WeakPolarHBondContact O-CB 3.41Å; A477-E480 PolarHBondContact O-N 2.82Å; A477-Y483 HydrophobicContact CB-CE2 4.12Å
478	F	63.7	Low	70.3	Confident	16 Å²	16	48.2 Å²	48.2	7%	0.07	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-42.7	-174.4	180	-96.8	0	0	0	112.3	V310 F445 R451 Y454 E455 E480	V310-F478 HydrophobicContact CB-CE1 4.2Å; V310-F478 HydrophobicContact CG1-CD1 4.48Å; V310-F478 HydrophobicContact CG1-CE1 4.03Å; V310-F478 HydrophobicContact CG1-CE2 4.44Å; V310-F478 HydrophobicContact CG1-CZ 3.98Å; V310-F478 HydrophobicContact CG2-CD1 3.5Å; V310-F478 VanDerWaalsContact CG2-CD1 3.5Å; V310-F478 HydrophobicContact CG2-CE1 3.43Å; V310-F478 VanDerWaalsContact CG2-CE1 3.43Å; V310-F478 HydrophobicContact CG2-CG 4.39Å; V310-F478 HydrophobicContact CG2-CZ 4.23Å; F445-F478 HydrophobicContact CD1-CD2 4.03Å; F445-F478 HydrophobicContact CD2-CB 3.71Å; F445-F478 HydrophobicContact CD2-CD2 4.27Å; F445-F478 HydrophobicContact CD2-CG 4.5Å; F445-F478 AromaticContact CE1-CD2 3.82Å; F445-F478 HydrophobicContact CE1-CD2 3.82Å; F445-F478 HydrophobicContact CE2-CB 3.44Å; F445-F478 VanDerWaalsContact CE2-CB 3.44Å; F445-F478 HydrophobicContact CE2-CD2 4.07Å; F445-F478 HydrophobicContact CE2-CG 4.26Å; F445-F478 HydrophobicContact CG-CB 4.44Å; F445-F478 HydrophobicContact CG-CD2 4.25Å; F445-F478 HydrophobicContact CZ-CB 3.97Å; F445-F478 AromaticContact CZ-CD2 3.82Å; F445-F478 HydrophobicContact CZ-CD2 3.82Å; F445-F478 HydrophobicContact CZ-CG 4.36Å; R451-F478 HydrophobicContact CB-CD2 4.47Å; R451-F478 HydrophobicContact CB-CE2 3.74Å; R451-F478 HydrophobicContact CG-CD2 4.03Å; R451-F478 HydrophobicContact CG-CE2 3.76Å; Y454-F478 AromaticContact CD1-CD2 3.29Å; Y454-F478 HydrophobicContact CD1-CD2 3.29Å; Y454-F478 AromaticContact CD1-CE2 3.48Å; Y454-F478 HydrophobicContact CD1-CE2 3.48Å; Y454-F478 VanDerWaalsContact CD1-CE2 3.48Å; Y454-F478 AromaticContact CD1-CG 3.92Å; Y454-F478 HydrophobicContact CD1-CG 3.92Å; Y454-F478 HydrophobicContact CD1-CZ 4.25Å; Y454-F478 HydrophobicContact CE1-CB 4.12Å; Y454-F478 HydrophobicContact CE1-CD1 4.29Å; Y454-F478 AromaticContact CE1-CD2 3.61Å; Y454-F478 HydrophobicContact CE1-CD2 3.61Å; Y454-F478 HydrophobicContact CE1-CE2 4.07Å; Y454-F478 AromaticContact CE1-CG 3.71Å; Y454-F478 HydrophobicContact CE1-CG 3.71Å; Y454-F478 HydrophobicContact CG-CD2 4.4Å; E455-F478 HydrophobicContact CG-CE2 4.12Å; E455-F478 HydrophobicContact CG-CZ 3.74Å; E455-F478 WeakPolarHBondContact OE1-CZ 3.46Å; F478-E480 VanDerWaalsContact C-N 3.31Å; F478-E480 PolarHBondContact O-N 3.12Å
479	H	58.9	Low	70.1	Confident	31 Å²	31	48.1 Å²	48.1	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.5	-178.7	-61.2	-58.8	0	0	0	113.6	A477 E481 D482 Y483 L486	A477-H479 PolarHBondContact O-N 2.76Å; A477-H479 VanDerWaalsContact O-N 3.1Å; H479-E481 PolarHBondContact O-N 2.91Å; H479-D482 CarbonylContact O-C 3.6Å; H479-D482 VanDerWaalsContact O-C 3.24Å; H479-D482 WeakPolarHBondContact O-CA 3.28Å; H479-D482 WeakPolarHBondContact O-CB 3.3Å; H479-D482 PolarHBondContact O-N 3.22Å; H479-Y483 HydrophobicContact CB-CD1 3.55Å; H479-Y483 HydrophobicContact CB-CD2 4.49Å; H479-Y483 HydrophobicContact CB-CE1 3Å; H479-Y483 HydrophobicContact CB-CE2 4.03Å; H479-Y483 HydrophobicContact CB-CG 4.25Å; H479-Y483 AromaticContact CG-CE1 3.92Å; H479-Y483 WeakPolarHBondContact O-CA 3.36Å; H479-Y483 WeakPolarHBondContact O-CB 3.24Å; H479-Y483 WeakPolarHBondContact O-CD1 3.06Å; H479-Y483 PolarHBondContact O-N 2.76Å; H479-L486 HydrophobicContact CB-CD1 3.9Å
480	E	55.6	Low	70.3	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-36	-176.2	-96.5	176.7	-122.8	0	0	114.6	F476 A477 F478 D482 Y483	F476-E480 HydrophobicContact CB-CB 3.84Å; F476-E480 HydrophobicContact CB-CG 4.49Å; F476-E480 WeakPolarHBondContact CD1-OE2 3.27Å; F476-E480 HydrophobicContact CG-CB 4.37Å; A477-E480 HydrophobicContact CB-CG 4.18Å; A477-E480 PolarHBondContact N-OE1 3.18Å; A477-E480 WeakPolarHBondContact O-CB 3.41Å; A477-E480 PolarHBondContact O-N 2.82Å; F478-E480 VanDerWaalsContact C-N 3.31Å; F478-E480 PolarHBondContact O-N 3.12Å; E480-D482 PolarHBondContact O-N 3.44Å; E480-Y483 HydrophobicContact CB-CD2 3.88Å; E480-Y483 HydrophobicContact CB-CE2 4.29Å; E480-Y483 HydrophobicContact CG-CD2 3.28Å; E480-Y483 HydrophobicContact CG-CE2 3.57Å; E480-Y483 HydrophobicContact CG-CG 4.4Å; E480-Y483 PolarHBondContact O-N 2.57Å
481	E	52.9	Low	70.1	Confident	68 Å²	68	42 Å²	42	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-66.3	-33.7	172	-65.3	-165.3	155.4	0	0	110.9	S446 R451 H479	S446-E481 WeakPolarHBondContact CA-OE1 3.36Å; R451-E481 IonicContact CZ-OE2 3.86Å; R451-E481 IonicContact NE-OE2 2.71Å; R451-E481 PolarHBondContact NE-OE2 3.48Å; R451-E481 IonicContact NH2-OE2 3.26Å; R451-E481 PolarHBondContact NH2-OE2 3.24Å; H479-E481 PolarHBondContact O-N 2.91Å
482	D	53.2	Low	70	Confident	22 Å²	22	41.6 Å²	41.6	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-79.8	-19.3	172.8	-68.6	-29.3	0	0	0	113.3	H291 H479 E480 K484 R485 L486	H291-D482 IonicContact CE1-OD2 3.99Å; H291-D482 WeakPolarHBondContact NE2-CB 3.31Å; H291-D482 IonicContact NE2-OD2 2.98Å; H479-D482 CarbonylContact O-C 3.6Å; H479-D482 VanDerWaalsContact O-C 3.24Å; H479-D482 WeakPolarHBondContact O-CA 3.28Å; H479-D482 WeakPolarHBondContact O-CB 3.3Å; H479-D482 PolarHBondContact O-N 3.22Å; E480-D482 PolarHBondContact O-N 3.44Å; D482-K484 PolarHBondContact O-N 3.3Å; D482-R485 CarbonylContact O-C 3.5Å; D482-R485 WeakPolarHBondContact O-CA 3.44Å; D482-R485 WeakPolarHBondContact O-CB 3.42Å; D482-R485 PolarHBondContact O-N 2.05Å; D482-L486 HydrophobicContact CB-CD1 3.88Å; D482-L486 HydrophobicContact CB-CG 4.41Å; D482-L486 PolarHBondContact O-N 2.59Å
483	Y	51.4	Low	70.1	Confident	21 Å²	21	40.4 Å²	40.4	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-20.2	-172	-75.6	-27.5	0	0	0	111.9	A477 H479 E480 R485 L486 F488 F508 P549	A477-Y483 HydrophobicContact CB-CE2 4.12Å; H479-Y483 HydrophobicContact CB-CD1 3.55Å; H479-Y483 HydrophobicContact CB-CD2 4.49Å; H479-Y483 HydrophobicContact CB-CE1 3Å; H479-Y483 HydrophobicContact CB-CE2 4.03Å; H479-Y483 HydrophobicContact CB-CG 4.25Å; H479-Y483 AromaticContact CG-CE1 3.92Å; H479-Y483 WeakPolarHBondContact O-CA 3.36Å; H479-Y483 WeakPolarHBondContact O-CB 3.24Å; H479-Y483 WeakPolarHBondContact O-CD1 3.06Å; H479-Y483 PolarHBondContact O-N 2.76Å; E480-Y483 HydrophobicContact CB-CD2 3.88Å; E480-Y483 HydrophobicContact CB-CE2 4.29Å; E480-Y483 HydrophobicContact CG-CD2 3.28Å; E480-Y483 HydrophobicContact CG-CE2 3.57Å; E480-Y483 HydrophobicContact CG-CG 4.4Å; E480-Y483 PolarHBondContact O-N 2.57Å; Y483-R485 PolarHBondContact O-N 3.49Å; Y483-L486 HydrophobicContact CD1-CB 4.12Å; Y483-L486 HydrophobicContact CD1-CD1 3.46Å; Y483-L486 VanDerWaalsContact CD1-CD1 3.46Å; Y483-L486 HydrophobicContact CD1-CG 4.4Å; Y483-L486 HydrophobicContact CE1-CD1 3.85Å; Y483-F488 HydrophobicContact CD1-CE1 4.28Å; Y483-F488 AromaticContact CD1-CE2 3.36Å; Y483-F488 HydrophobicContact CD1-CE2 3.36Å; Y483-F488 AromaticContact CD1-CZ 3.1Å; Y483-F488 HydrophobicContact CD1-CZ 3.1Å; Y483-F488 HydrophobicContact CD2-CZ 4.1Å; Y483-F488 AromaticContact CE1-CE1 3.87Å; Y483-F488 HydrophobicContact CE1-CE1 3.87Å; Y483-F488 AromaticContact CE1-CE2 3.81Å; Y483-F488 HydrophobicContact CE1-CE2 3.81Å; Y483-F488 AromaticContact CE1-CZ 3.06Å; Y483-F488 HydrophobicContact CE1-CZ 3.06Å; Y483-F488 HydrophobicContact CE2-CZ 4.15Å; Y483-F488 AromaticContact CG-CE2 3.88Å; Y483-F488 HydrophobicContact CG-CE2 3.88Å; Y483-F488 AromaticContact CG-CZ 3.69Å; Y483-F488 HydrophobicContact CG-CZ 3.69Å; Y483-F488 AromaticContact CZ-CZ 3.65Å; Y483-F508 AromaticContact CD2-CD1 3.85Å; Y483-F508 HydrophobicContact CD2-CD1 3.85Å; Y483-F508 HydrophobicContact CD2-CE1 4.18Å; Y483-F508 HydrophobicContact CE2-CD1 4.15Å; Y483-F508 HydrophobicContact CE2-CE1 4.02Å; Y483-F508 HydrophobicContact CG-CD1 4.21Å; Y483-P549 HydrophobicContact CE1-CG 4.17Å
484	K	53.7	Low	70.1	Confident	186 Å²	186	40.6 Å²	40.6	81%	0.809	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.5	167.2	-67.2	-173.2	180	178.9	0	112.4	D482	D482-K484 PolarHBondContact O-N 3.3Å
485	R	60.3	Low	70.3	Confident	64 Å²	64	48.5 Å²	48.5	24%	0.242	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-26.5	-177.7	-55	-177	-178.4	141.3	-1.5	112.8	N281 L289 D482 Y483 K487	N281-R485 PolarHBondContact OD1-NH2 2.77Å; L289-R485 HydrophobicContact CD1-CB 4.23Å; L289-R485 VanDerWaalsContact CD1-O 3.29Å; L289-R485 WeakPolarHBondContact CD1-O 3.47Å; L289-R485 HydrophobicContact CD2-CB 3.62Å; L289-R485 HydrophobicContact CD2-CG 4.17Å; D482-R485 CarbonylContact O-C 3.5Å; D482-R485 WeakPolarHBondContact O-CA 3.44Å; D482-R485 WeakPolarHBondContact O-CB 3.42Å; D482-R485 PolarHBondContact O-N 2.05Å; Y483-R485 PolarHBondContact O-N 3.49Å; R485-K487 PolarHBondContact O-N 3.18Å
486	L	66.1	Low	70.5	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	25%	0.249	C	C	.	.			trans	-72.1	127.5	175.2	-73.7	160.1	0	0	0	110.7	H291 H479 D482 Y483 F488	H291-L486 HydrophobicContact CB-CD2 4.18Å; H291-L486 WeakPolarHBondContact CD2-CD2 3.43Å; H291-L486 VanDerWaalsContact CG-CD2 3.46Å; H291-L486 WeakPolarHBondContact NE2-CD2 3.37Å; H291-L486 VanDerWaalsContact NE2-CG 3.32Å; H291-L486 WeakPolarHBondContact NE2-CG 3.01Å; H479-L486 HydrophobicContact CB-CD1 3.9Å; D482-L486 HydrophobicContact CB-CD1 3.88Å; D482-L486 HydrophobicContact CB-CG 4.41Å; D482-L486 PolarHBondContact O-N 2.59Å; Y483-L486 HydrophobicContact CD1-CB 4.12Å; Y483-L486 HydrophobicContact CD1-CD1 3.46Å; Y483-L486 VanDerWaalsContact CD1-CD1 3.46Å; Y483-L486 HydrophobicContact CD1-CG 4.4Å; Y483-L486 HydrophobicContact CE1-CD1 3.85Å; L486-F488 HydrophobicContact CB-CD2 4.46Å; L486-F488 HydrophobicContact CB-CE2 4.06Å
487	K	77.5	Confident	70.9	Confident	85 Å²	85	50 Å²	50	37%	0.37	24%	0.236	S	C	.	.			trans	-79.5	153.6	162.1	-59.5	-170.4	178.4	-173.3	0	109.1	R485 I504 V505 D506 N521 R550	R485-K487 PolarHBondContact O-N 3.18Å; K487-I504 HydrophobicContact CB-CG2 3.84Å; K487-I504 HydrophobicContact CD-CG2 3.8Å; K487-I504 HydrophobicContact CG-CG2 4.28Å; K487-V505 CarbonylContact C-O 3.59Å; K487-V505 VanDerWaalsContact CA-O 3.25Å; K487-V505 WeakPolarHBondContact CA-O 3.43Å; K487-D506 WeakPolarHBondContact CD-OD1 3.07Å; K487-D506 VanDerWaalsContact CE-OD1 3.22Å; K487-D506 WeakPolarHBondContact CE-OD1 3.39Å; K487-D506 IonicContact NZ-OD1 3.92Å; K487-N521 PolarHBondContact NZ-ND2 3.45Å; K487-R550 HydrophobicContact CB-CB 4.23Å; K487-R550 WeakPolarHBondContact O-CA 3.19Å; K487-R550 WeakPolarHBondContact O-CB 3.46Å; K487-R550 PolarHBondContact O-N 3.07Å
488	F	81.9	Confident	71.7	Confident	3 Å²	3	55.6 Å²	55.6	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.9	174.5	-73.2	-115.9	0	0	0	110.5	Y483 L486 I504 V505 F508 F547 R548 P549	Y483-F488 HydrophobicContact CD1-CE1 4.28Å; Y483-F488 AromaticContact CD1-CE2 3.36Å; Y483-F488 HydrophobicContact CD1-CE2 3.36Å; Y483-F488 AromaticContact CD1-CZ 3.1Å; Y483-F488 HydrophobicContact CD1-CZ 3.1Å; Y483-F488 HydrophobicContact CD2-CZ 4.1Å; Y483-F488 AromaticContact CE1-CE1 3.87Å; Y483-F488 HydrophobicContact CE1-CE1 3.87Å; Y483-F488 AromaticContact CE1-CE2 3.81Å; Y483-F488 HydrophobicContact CE1-CE2 3.81Å; Y483-F488 AromaticContact CE1-CZ 3.06Å; Y483-F488 HydrophobicContact CE1-CZ 3.06Å; Y483-F488 HydrophobicContact CE2-CZ 4.15Å; Y483-F488 AromaticContact CG-CE2 3.88Å; Y483-F488 HydrophobicContact CG-CE2 3.88Å; Y483-F488 AromaticContact CG-CZ 3.69Å; Y483-F488 HydrophobicContact CG-CZ 3.69Å; Y483-F488 AromaticContact CZ-CZ 3.65Å; L486-F488 HydrophobicContact CB-CD2 4.46Å; L486-F488 HydrophobicContact CB-CE2 4.06Å; F488-I504 CarbonylContact O-C 3.05Å; F488-I504 WeakPolarHBondContact O-CA 3.14Å; F488-V505 HydrophobicContact CB-CB 4.07Å; F488-V505 PolarHBondContact N-O 3.14Å; F488-V505 PolarHBondContact O-N 2.78Å; F488-F508 HydrophobicContact CD1-CD1 4.45Å; F488-F508 HydrophobicContact CD1-CD2 4.15Å; F488-F508 HydrophobicContact CD1-CE2 4.42Å; F488-F508 HydrophobicContact CD1-CG 4.18Å; F488-F508 HydrophobicContact CD2-CB 3.54Å; F488-F508 HydrophobicContact CD2-CD1 4.42Å; F488-F508 HydrophobicContact CD2-CD2 4.48Å; F488-F508 AromaticContact CD2-CG 3.93Å; F488-F508 HydrophobicContact CD2-CG 3.93Å; F488-F508 HydrophobicContact CE1-CB 4.49Å; F488-F508 AromaticContact CE1-CD1 3.67Å; F488-F508 HydrophobicContact CE1-CD1 3.67Å; F488-F508 HydrophobicContact CE1-CD2 4.12Å; F488-F508 AromaticContact CE1-CE1 3.76Å; F488-F508 HydrophobicContact CE1-CE1 3.76Å; F488-F508 HydrophobicContact CE1-CE2 4.24Å; F488-F508 AromaticContact CE1-CG 3.85Å; F488-F508 HydrophobicContact CE1-CG 3.85Å; F488-F508 HydrophobicContact CE1-CZ 4.06Å; F488-F508 HydrophobicContact CE2-CB 3.37Å; F488-F508 AromaticContact CE2-CD1 3.66Å; F488-F508 HydrophobicContact CE2-CD1 3.66Å; F488-F508 HydrophobicContact CE2-CD2 4.46Å; F488-F508 AromaticContact CE2-CG 3.6Å; F488-F508 HydrophobicContact CE2-CG 3.6Å; F488-F508 HydrophobicContact CG-CB 4.17Å; F488-F508 HydrophobicContact CG-CD2 4.3Å; F488-F508 HydrophobicContact CG-CG 4.18Å; F488-F508 HydrophobicContact CZ-CB 3.82Å; F488-F508 AromaticContact CZ-CD1 3.14Å; F488-F508 HydrophobicContact CZ-CD1 3.14Å; F488-F508 HydrophobicContact CZ-CD2 4.21Å; F488-F508 AromaticContact CZ-CE1 3.63Å; F488-F508 HydrophobicContact CZ-CE1 3.63Å; F488-F508 AromaticContact CZ-CG 3.47Å; F488-F508 HydrophobicContact CZ-CG 3.47Å; F488-F508 VanDerWaalsContact CZ-CG 3.47Å; F488-F508 HydrophobicContact CZ-CZ 4.36Å; F488-F547 HydrophobicContact CB-CB 4.2Å; F488-F547 HydrophobicContact CD1-CB 3.87Å; F488-F547 HydrophobicContact CG-CB 4.44Å; F488-R548 CarbonylContact C-O 3.58Å; F488-R548 VanDerWaalsContact CA-O 3.26Å; F488-R548 WeakPolarHBondContact CA-O 3.33Å; F488-R548 WeakPolarHBondContact CB-O 3.37Å; F488-P549 HydrophobicContact CD1-CB 4.45Å; F488-P549 HydrophobicContact CD1-CG 4.12Å; F488-P549 VanDerWaalsContact CD1-N 3.28Å; F488-P549 HydrophobicContact CE1-CB 4.29Å; F488-P549 HydrophobicContact CE1-CG 3.65Å; F488-P549 HydrophobicContact CZ-CG 4.2Å
489	D	85.3	Confident	72.8	Confident	9 Å²	9	55 Å²	55	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.9	169.2	-66.2	-31.2	0	0	0	108.9	R5 I491 F547 R548 R550	R5-D489 IonicContact NH2-OD2 3.16Å; D489-I491 HydrophobicContact CB-CG2 4.49Å; D489-I491 PolarHBondContact O-N 3.44Å; D489-F547 WeakPolarHBondContact O-CA 3.21Å; D489-R548 PolarHBondContact N-O 3.05Å; D489-R548 PolarHBondContact O-N 3Å; D489-R550 IonicContact OD1-CZ 3.84Å; D489-R550 IonicContact OD1-NE 3.84Å; D489-R550 IonicContact OD1-NH1 2.77Å; D489-R550 PolarHBondContact OD1-NH1 3.35Å
490	V	87.3	Confident	74.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	113.9	165.9	179.1	0	0	0	0	108.4	I492 L499 K500 G502 D503 V505 F547	V490-I492 VanDerWaalsContact CG1-O 3.29Å; V490-I492 WeakPolarHBondContact CG1-O 3.47Å; V490-L499 HydrophobicContact CG1-CB 4.16Å; V490-L499 HydrophobicContact CG2-CB 4.38Å; V490-K500 VanDerWaalsContact CB-O 3.26Å; V490-K500 WeakPolarHBondContact CB-O 2.86Å; V490-K500 WeakPolarHBondContact CG1-O 3.4Å; V490-G502 PolarHBondContact O-N 3.26Å; V490-D503 HydrophobicContact CB-CB 4.19Å; V490-D503 HydrophobicContact CG2-CB 3.83Å; V490-D503 PolarHBondContact N-O 2.82Å; V490-V505 HydrophobicContact CG2-CG2 4.05Å; V490-F547 HydrophobicContact CG2-CD1 3.96Å; V490-F547 HydrophobicContact CG2-CE1 3.69Å
491	I	86.9	Confident	75.8	Confident	31 Å²	31	64 Å²	64	16%	0.159	29%	0.289	C	S	.	.			trans	-103.3	-12.8	-179.9	58.7	167.6	0	0	0	112.8	N9 D489 Y501 K546 R548	N9-I491 WeakPolarHBondContact ND2-CD1 3.46Å; D489-I491 HydrophobicContact CB-CG2 4.49Å; D489-I491 PolarHBondContact O-N 3.44Å; I491-Y501 HydrophobicContact CB-CE2 4.41Å; I491-Y501 WeakPolarHBondContact O-CD2 3.2Å; I491-Y501 VanDerWaalsContact O-CE2 3.24Å; I491-Y501 WeakPolarHBondContact O-CE2 3.41Å; I491-K546 VanDerWaalsContact CG1-O 3.25Å; I491-K546 WeakPolarHBondContact CG1-O 3.32Å; I491-K546 PolarHBondContact N-O 3.04Å; I491-R548 HydrophobicContact CD1-CB 4.09Å; I491-R548 HydrophobicContact CG2-CB 4Å
492	I	84.6	Confident	77.4	Confident	11 Å²	11	62.4 Å²	62.4	6%	0.056	29%	0.291	C	S	.	.	S	Bend	trans	-132.8	119.3	173	-67.3	171.2	0	0	0	107.9	V490 Y545 K546	V490-I492 VanDerWaalsContact CG1-O 3.29Å; V490-I492 WeakPolarHBondContact CG1-O 3.47Å; I492-Y545 HydrophobicContact CD1-CD2 3.99Å; I492-Y545 HydrophobicContact CD1-CE2 4.28Å; I492-K546 HydrophobicContact CB-CB 4.14Å; I492-K546 HydrophobicContact CB-CG 4Å; I492-K546 HydrophobicContact CG2-CD 4.36Å; I492-K546 HydrophobicContact CG2-CG 4.05Å; I492-K546 PolarHBondContact N-O 2.78Å
493	P	86.4	Confident	79.1	Confident	54 Å²	54	62.8 Å²	62.8	35%	0.351	29%	0.293	S	S	.	.			trans	-64.9	148.1	-179.9	27.1	-34.3	0	0	0	111.3	L499	P493-L499 CarbonylContact C-O 3.52Å; P493-L499 VanDerWaalsContact CA-O 3.23Å; P493-L499 WeakPolarHBondContact CA-O 2.83Å; P493-L499 WeakPolarHBondContact CB-O 3.06Å
494	D	82.6	Confident	80.8	Confident	24 Å²	24	63.2 Å²	63.2	13%	0.128	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-125.6	115.4	175.8	-171	59.1	0	0	0	110.6	K496 G497 H498 L499 K546	D494-K496 PolarHBondContact OD2-N 3.4Å; D494-G497 PolarHBondContact OD2-N 3.15Å; D494-H498 CarbonylContact O-C 3.24Å; D494-H498 PolarHBondContact O-N 3.29Å; D494-H498 VanDerWaalsContact O-N 3.16Å; D494-L499 HydrophobicContact CB-CB 4.04Å; D494-L499 HydrophobicContact CB-CD1 4.08Å; D494-L499 HydrophobicContact CB-CG 4.24Å; D494-L499 PolarHBondContact N-O 2.89Å; D494-L499 PolarHBondContact O-N 2.73Å; D494-K546 HydrophobicContact CB-CD 4.02Å; D494-K546 IonicContact OD1-NZ 3.08Å; D494-K546 PolarHBondContact OD1-NZ 3.17Å
495	K	81.5	Confident	82.4	Confident	201 Å²	201	54.4 Å²	54.4	87%	0.874	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-35.1	-179	-68.9	-174.1	178.6	-177.5	0	112.3	H498	K495-H498 PolarHBondContact O-N 3.2Å
496	K	78.3	Confident	83.3	Confident	150 Å²	150	53.8 Å²	53.8	65%	0.652	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-40.8	-174.3	-167.6	170.9	-177.7	166.6	0	111.5	E54 D494	E54-K496 IonicContact OE1-NZ 2.63Å; E54-K496 PolarHBondContact OE1-NZ 3.49Å; E54-K496 IonicContact OE2-NZ 3.76Å; E54-K496 PolarHBondContact OE2-NZ 3.12Å; D494-K496 PolarHBondContact OD2-N 3.4Å
497	G	74.4	Confident	84	Confident	9 Å²	9	56.4 Å²	56.4	9%	0.093	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.3	174.1	0	0	0	0	0	114.7	D494 L499	D494-G497 PolarHBondContact OD2-N 3.15Å; G497-L499 WeakPolarHBondContact O-CG 3.46Å; G497-L499 PolarHBondContact O-N 3.22Å; G497-L499 VanDerWaalsContact O-N 3.15Å
498	H	83.4	Confident	84.1	Confident	148 Å²	148	53 Å²	53	69%	0.685	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.2	-178.3	-59.4	-77.6	0	0	0	115	D494 K495	D494-H498 CarbonylContact O-C 3.24Å; D494-H498 PolarHBondContact O-N 3.29Å; D494-H498 VanDerWaalsContact O-N 3.16Å; K495-H498 PolarHBondContact O-N 3.2Å
499	L	87.2	Confident	84	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-90.1	127.5	-178.4	-53.6	178.6	0	0	0	111.2	V490 P493 D494 G497 V518 L520 V542 F547	V490-L499 HydrophobicContact CG1-CB 4.16Å; V490-L499 HydrophobicContact CG2-CB 4.38Å; P493-L499 CarbonylContact C-O 3.52Å; P493-L499 VanDerWaalsContact CA-O 3.23Å; P493-L499 WeakPolarHBondContact CA-O 2.83Å; P493-L499 WeakPolarHBondContact CB-O 3.06Å; D494-L499 HydrophobicContact CB-CB 4.04Å; D494-L499 HydrophobicContact CB-CD1 4.08Å; D494-L499 HydrophobicContact CB-CG 4.24Å; D494-L499 PolarHBondContact N-O 2.89Å; D494-L499 PolarHBondContact O-N 2.73Å; G497-L499 WeakPolarHBondContact O-CG 3.46Å; G497-L499 PolarHBondContact O-N 3.22Å; G497-L499 VanDerWaalsContact O-N 3.15Å; L499-V518 HydrophobicContact CD1-CG2 4.4Å; L499-L520 HydrophobicContact CD2-CD1 3.75Å; L499-L520 HydrophobicContact CD2-CD2 3.82Å; L499-L520 HydrophobicContact CD2-CG 3.78Å; L499-V542 HydrophobicContact CD1-CG1 4.12Å; L499-V542 HydrophobicContact CD1-CG2 4.42Å; L499-F547 HydrophobicContact CD1-CE1 3.78Å; L499-F547 HydrophobicContact CD1-CZ 3.46Å; L499-F547 VanDerWaalsContact CD1-CZ 3.46Å
500	K	89.5	Confident	83.6	Confident	126 Å²	126	59.9 Å²	59.9	55%	0.548	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-102.2	154.7	176.2	-59.5	168.8	-172.4	158	0	110.6	V490 G502 D503	V490-K500 VanDerWaalsContact CB-O 3.26Å; V490-K500 WeakPolarHBondContact CB-O 2.86Å; V490-K500 WeakPolarHBondContact CG1-O 3.4Å; K500-G502 PolarHBondContact O-N 2.94Å; K500-D503 WeakPolarHBondContact CB-OD2 3.49Å; K500-D503 PolarHBondContact N-OD2 3.35Å; K500-D503 WeakPolarHBondContact O-CB 3.47Å; K500-D503 PolarHBondContact O-N 3.35Å
501	Y	87.9	Confident	82.9	Confident	123 Å²	123	63.1 Å²	63.1	48%	0.482	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	127.5	173.4	-178.5	-86.4	0	0	0	110.3	I491	I491-Y501 HydrophobicContact CB-CE2 4.41Å; I491-Y501 WeakPolarHBondContact O-CD2 3.2Å; I491-Y501 VanDerWaalsContact O-CE2 3.24Å; I491-Y501 WeakPolarHBondContact O-CE2 3.41Å
502	G	85.8	Confident	82	Confident	35 Å²	35	64.8 Å²	64.8	36%	0.361	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-6	-179.2	0	0	0	0	0	115	V490 K500	V490-G502 PolarHBondContact O-N 3.26Å; K500-G502 PolarHBondContact O-N 2.94Å
503	D	89.5	Confident	81.3	Confident	29 Å²	29	67.4 Å²	67.4	16%	0.155	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.3	148	171.5	-71.3	-7.6	0	0	0	110.5	V490 K500 L520	V490-D503 HydrophobicContact CB-CB 4.19Å; V490-D503 HydrophobicContact CG2-CB 3.83Å; V490-D503 PolarHBondContact N-O 2.82Å; K500-D503 WeakPolarHBondContact CB-OD2 3.49Å; K500-D503 PolarHBondContact N-OD2 3.35Å; K500-D503 WeakPolarHBondContact O-CB 3.47Å; K500-D503 PolarHBondContact O-N 3.35Å; D503-L520 HydrophobicContact CB-CD2 3.75Å
504	I	87.3	Confident	80.5	Confident	31 Å²	31	65.3 Å²	65.3	16%	0.159	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.2	-178.6	-53.7	178.7	0	0	0	108.7	K487 F488 L520 N521 R550	K487-I504 HydrophobicContact CB-CG2 3.84Å; K487-I504 HydrophobicContact CD-CG2 3.8Å; K487-I504 HydrophobicContact CG-CG2 4.28Å; F488-I504 CarbonylContact O-C 3.05Å; F488-I504 WeakPolarHBondContact O-CA 3.14Å; I504-L520 WeakPolarHBondContact O-CD2 3.17Å; I504-N521 HydrophobicContact CB-CB 4.08Å; I504-N521 HydrophobicContact CG2-CB 4.17Å; I504-N521 WeakPolarHBondContact O-CB 3.17Å; I504-N521 PolarHBondContact O-N 3.31Å; I504-R550 VanDerWaalsContact CG1-NH1 3.29Å
505	V	85.7	Confident	80.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.5	172.6	169.5	0	0	0	0	108.8	K487 F488 V490 T507 F508 V518 K519 L520 F547	K487-V505 CarbonylContact C-O 3.59Å; K487-V505 VanDerWaalsContact CA-O 3.25Å; K487-V505 WeakPolarHBondContact CA-O 3.43Å; F488-V505 HydrophobicContact CB-CB 4.07Å; F488-V505 PolarHBondContact N-O 3.14Å; F488-V505 PolarHBondContact O-N 2.78Å; V490-V505 HydrophobicContact CG2-CG2 4.05Å; V505-T507 WeakPolarHBondContact CG1-O 3.34Å; V505-F508 HydrophobicContact CG1-CB 4.11Å; V505-V518 HydrophobicContact CG1-CB 3.82Å; V505-V518 HydrophobicContact CG1-CG1 4.18Å; V505-V518 HydrophobicContact CG2-CB 4.27Å; V505-K519 CarbonylContact C-O 3.55Å; V505-K519 WeakPolarHBondContact CA-O 3.33Å; V505-K519 WeakPolarHBondContact CG1-O 3.35Å; V505-L520 HydrophobicContact CG2-CD2 4.01Å; V505-F547 HydrophobicContact CB-CD1 4.46Å; V505-F547 HydrophobicContact CG2-CD1 3.65Å; V505-F547 HydrophobicContact CG2-CE1 3.53Å
506	D	80.9	Confident	80.4	Confident	51 Å²	51	57.5 Å²	57.5	27%	0.273	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-29.2	178.2	-87	-11.9	0	0	0	112.9	K487 K519 N521	K487-D506 WeakPolarHBondContact CD-OD1 3.07Å; K487-D506 VanDerWaalsContact CE-OD1 3.22Å; K487-D506 WeakPolarHBondContact CE-OD1 3.39Å; K487-D506 IonicContact NZ-OD1 3.92Å; D506-K519 PolarHBondContact N-O 3.42Å; D506-N521 HydrophobicContact CB-CB 4.38Å; D506-N521 VanDerWaalsContact CG-CG 3.41Å; D506-N521 WeakPolarHBondContact OD1-CB 3.5Å; D506-N521 VanDerWaalsContact OD1-CG 3.28Å; D506-N521 PolarHBondContact OD1-ND2 3.48Å; D506-N521 VanDerWaalsContact OD2-CA 3.24Å; D506-N521 WeakPolarHBondContact OD2-CA 3.25Å; D506-N521 WeakPolarHBondContact OD2-CB 3.49Å; D506-N521 PolarHBondContact OD2-ND2 3.08Å; D506-N521 PolarHBondContact OD2-OD1 2.94Å
507	T	79.7	Confident	80.7	Confident	59 Å²	59	51 Å²	51	36%	0.362	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.7	175.5	-51.3	0	0	0	0	108.8	V505 V518 K519 L539	V505-T507 WeakPolarHBondContact CG1-O 3.34Å; T507-V518 CarbonylContact O-C 3.56Å; T507-V518 WeakPolarHBondContact O-CA 3.3Å; T507-K519 PolarHBondContact N-O 2.96Å; T507-K519 PolarHBondContact O-N 3.49Å; T507-L539 HydrophobicContact CG2-CD2 3.99Å
508	F	80.8	Confident	81.4	Confident	14 Å²	14	50.6 Å²	50.6	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129	175.8	178.3	-87.6	0	0	0	109.3	Y483 F488 V505 N510 A516 S517 V518 A544 F547	Y483-F508 AromaticContact CD2-CD1 3.85Å; Y483-F508 HydrophobicContact CD2-CD1 3.85Å; Y483-F508 HydrophobicContact CD2-CE1 4.18Å; Y483-F508 HydrophobicContact CE2-CD1 4.15Å; Y483-F508 HydrophobicContact CE2-CE1 4.02Å; Y483-F508 HydrophobicContact CG-CD1 4.21Å; F488-F508 HydrophobicContact CD1-CD1 4.45Å; F488-F508 HydrophobicContact CD1-CD2 4.15Å; F488-F508 HydrophobicContact CD1-CE2 4.42Å; F488-F508 HydrophobicContact CD1-CG 4.18Å; F488-F508 HydrophobicContact CD2-CB 3.54Å; F488-F508 HydrophobicContact CD2-CD1 4.42Å; F488-F508 HydrophobicContact CD2-CD2 4.48Å; F488-F508 AromaticContact CD2-CG 3.93Å; F488-F508 HydrophobicContact CD2-CG 3.93Å; F488-F508 HydrophobicContact CE1-CB 4.49Å; F488-F508 AromaticContact CE1-CD1 3.67Å; F488-F508 HydrophobicContact CE1-CD1 3.67Å; F488-F508 HydrophobicContact CE1-CD2 4.12Å; F488-F508 AromaticContact CE1-CE1 3.76Å; F488-F508 HydrophobicContact CE1-CE1 3.76Å; F488-F508 HydrophobicContact CE1-CE2 4.24Å; F488-F508 AromaticContact CE1-CG 3.85Å; F488-F508 HydrophobicContact CE1-CG 3.85Å; F488-F508 HydrophobicContact CE1-CZ 4.06Å; F488-F508 HydrophobicContact CE2-CB 3.37Å; F488-F508 AromaticContact CE2-CD1 3.66Å; F488-F508 HydrophobicContact CE2-CD1 3.66Å; F488-F508 HydrophobicContact CE2-CD2 4.46Å; F488-F508 AromaticContact CE2-CG 3.6Å; F488-F508 HydrophobicContact CE2-CG 3.6Å; F488-F508 HydrophobicContact CG-CB 4.17Å; F488-F508 HydrophobicContact CG-CD2 4.3Å; F488-F508 HydrophobicContact CG-CG 4.18Å; F488-F508 HydrophobicContact CZ-CB 3.82Å; F488-F508 AromaticContact CZ-CD1 3.14Å; F488-F508 HydrophobicContact CZ-CD1 3.14Å; F488-F508 HydrophobicContact CZ-CD2 4.21Å; F488-F508 AromaticContact CZ-CE1 3.63Å; F488-F508 HydrophobicContact CZ-CE1 3.63Å; F488-F508 AromaticContact CZ-CG 3.47Å; F488-F508 HydrophobicContact CZ-CG 3.47Å; F488-F508 VanDerWaalsContact CZ-CG 3.47Å; F488-F508 HydrophobicContact CZ-CZ 4.36Å; V505-F508 HydrophobicContact CG1-CB 4.11Å; F508-N510 HydrophobicContact CE1-CB 3.87Å; F508-N510 HydrophobicContact CZ-CB 4.34Å; F508-A516 HydrophobicContact CD2-CB 4.1Å; F508-A516 HydrophobicContact CE2-CB 3.45Å; F508-A516 VanDerWaalsContact CE2-CB 3.45Å; F508-A516 HydrophobicContact CZ-CB 3.71Å; F508-S517 WeakPolarHBondContact CA-O 3.43Å; F508-V518 HydrophobicContact CD2-CG1 3.75Å; F508-V518 HydrophobicContact CE2-CG1 4.33Å; F508-A544 HydrophobicContact CZ-CB 4.44Å; F508-F547 HydrophobicContact CD2-CB 4.07Å; F508-F547 HydrophobicContact CD2-CD2 4.19Å; F508-F547 HydrophobicContact CD2-CG 4.02Å; F508-F547 HydrophobicContact CE2-CB 3.71Å; F508-F547 AromaticContact CE2-CD2 3.64Å; F508-F547 HydrophobicContact CE2-CD2 3.64Å; F508-F547 AromaticContact CE2-CG 3.78Å; F508-F547 HydrophobicContact CE2-CG 3.78Å
509	K	79.2	Confident	81.5	Confident	114 Å²	114	46.5 Å²	46.5	50%	0.496	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	113.1	172.3	179.7	-179.2	178.2	-177.9	0	108.9	A516 S517	K509-A516 CarbonylContact O-C 3.52Å; K509-A516 WeakPolarHBondContact O-CA 3.14Å; K509-A516 WeakPolarHBondContact O-CB 3.37Å; K509-S517 PolarHBondContact N-O 3.3Å; K509-S517 PolarHBondContact O-N 2.92Å
510	N	76.4	Confident	81.4	Confident	42 Å²	42	48.4 Å²	48.4	23%	0.225	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.7	170.4	-165.3	-17.1	0	0	0	108.9	F508 G512	F508-N510 HydrophobicContact CE1-CB 3.87Å; F508-N510 HydrophobicContact CZ-CB 4.34Å; N510-G512 PolarHBondContact OD1-N 2.88Å
511	H	73.9	Confident	80.8	Confident	70 Å²	70	43.2 Å²	43.2	32%	0.324	24%	0.24	S	C	.	.			trans	-98.4	0.3	177.2	-65.1	-72.7	0	0	0	112.7	N513 L515 S517	H511-N513 WeakPolarHBondContact CB-OD1 3.5Å; H511-N513 PolarHBondContact O-N 3.36Å; H511-L515 PolarHBondContact CD2-O 3.48Å; H511-L515 PolarHBondContact N-O 3.39Å; H511-L515 VanDerWaalsContact N-O 3.09Å; H511-S517 PolarHBondContact CE1-OG 2.92Å; H511-S517 PolarHBondContact NE2-N 3.5Å; H511-S517 PolarHBondContact NE2-OG 3.23Å
512	G	66.8	Low	79.7	Confident	66 Å²	66	42.4 Å²	42.4	68%	0.68	24%	0.24	S	C	*	.	S	Bend	trans	67.3	1.4	-174	0	0	0	0	0	113.3	N510	N510-G512 PolarHBondContact OD1-N 2.88Å
513	N	69.6	Low	78.2	Confident	66 Å²	66	45.2 Å²	45.2	35%	0.353	26%	0.255	S	S	.	.	S	Bend	trans	-114.3	27.9	-178.6	74.2	2.2	0	0	0	112.8	P17 H511 L515	P17-N513 HydrophobicContact CB-CB 3.68Å; P17-N513 WeakPolarHBondContact CB-O 3.4Å; P17-N513 VanDerWaalsContact CG-O 3.27Å; P17-N513 WeakPolarHBondContact CG-O 3.41Å; H511-N513 WeakPolarHBondContact CB-OD1 3.5Å; H511-N513 PolarHBondContact O-N 3.36Å; N513-L515 PolarHBondContact O-N 3.02Å; N513-L515 VanDerWaalsContact O-N 3.08Å; N513-L515 WeakPolarHBondContact OD1-CB 3.16Å; N513-L515 PolarHBondContact OD1-N 3.31Å
514	G	69.9	Low	76	Confident	9 Å²	9	47.1 Å²	47.1	9%	0.093	27%	0.27	C	S	.	.	S	Bend	trans	75	-7	176.8	0	0	0	0	0	114	P543 A544	G514-P543 CarbonylContact O-C 3.56Å; G514-P543 WeakPolarHBondContact O-CA 3.47Å; G514-A544 PolarHBondContact O-N 2.83Å
515	L	80.8	Confident	73.8	Confident	62 Å²	62	50.2 Å²	50.2	33%	0.325	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	154.2	169.8	-57.5	174.1	0	0	0	110.5	H511 N513 I541 V542	H511-L515 PolarHBondContact CD2-O 3.48Å; H511-L515 PolarHBondContact N-O 3.39Å; H511-L515 VanDerWaalsContact N-O 3.09Å; N513-L515 PolarHBondContact O-N 3.02Å; N513-L515 VanDerWaalsContact O-N 3.08Å; N513-L515 WeakPolarHBondContact OD1-CB 3.16Å; N513-L515 PolarHBondContact OD1-N 3.31Å; L515-I541 HydrophobicContact CB-CG2 3.98Å; L515-I541 HydrophobicContact CD1-CG2 3.96Å; L515-I541 HydrophobicContact CD2-CG2 4.44Å; L515-I541 HydrophobicContact CG-CG2 4.36Å; L515-V542 CarbonylContact C-O 3.59Å; L515-V542 WeakPolarHBondContact CA-O 3.43Å
516	A	81.3	Confident	71.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147	171.6	0	0	0	0	0	110.2	F508 K509 V518 I541 V542 A544	F508-A516 HydrophobicContact CD2-CB 4.1Å; F508-A516 HydrophobicContact CE2-CB 3.45Å; F508-A516 VanDerWaalsContact CE2-CB 3.45Å; F508-A516 HydrophobicContact CZ-CB 3.71Å; K509-A516 CarbonylContact O-C 3.52Å; K509-A516 WeakPolarHBondContact O-CA 3.14Å; K509-A516 WeakPolarHBondContact O-CB 3.37Å; A516-V518 HydrophobicContact CB-CG1 4.32Å; A516-I541 WeakPolarHBondContact O-CA 3.24Å; A516-V542 PolarHBondContact N-O 3.44Å; A516-V542 PolarHBondContact O-N 3.29Å; A516-V542 VanDerWaalsContact O-O 3.14Å; A516-A544 HydrophobicContact CB-CB 3.76Å
517	S	85.8	Confident	69.1	Low	13 Å²	13	66.3 Å²	66.3	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126	167.1	-73.7	0	0	0	0	109.4	F508 K509 H511 F540	F508-S517 WeakPolarHBondContact CA-O 3.43Å; K509-S517 PolarHBondContact N-O 3.3Å; K509-S517 PolarHBondContact O-N 2.92Å; H511-S517 PolarHBondContact CE1-OG 2.92Å; H511-S517 PolarHBondContact NE2-N 3.5Å; H511-S517 PolarHBondContact NE2-OG 3.23Å; S517-F540 CarbonylContact C-O 3.59Å; S517-F540 WeakPolarHBondContact CA-O 3.44Å
518	V	87.2	Confident	66.8	Low	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.3	-175.5	-53.3	0	0	0	0	113.9	L499 V505 T507 F508 A516 L539 F540 V542 F547	L499-V518 HydrophobicContact CD1-CG2 4.4Å; V505-V518 HydrophobicContact CG1-CB 3.82Å; V505-V518 HydrophobicContact CG1-CG1 4.18Å; V505-V518 HydrophobicContact CG2-CB 4.27Å; T507-V518 CarbonylContact O-C 3.56Å; T507-V518 WeakPolarHBondContact O-CA 3.3Å; F508-V518 HydrophobicContact CD2-CG1 3.75Å; F508-V518 HydrophobicContact CE2-CG1 4.33Å; A516-V518 HydrophobicContact CB-CG1 4.32Å; V518-L539 WeakPolarHBondContact O-CA 3.45Å; V518-F540 HydrophobicContact CG2-CB 4.27Å; V518-F540 PolarHBondContact N-O 3.42Å; V518-F540 PolarHBondContact O-N 2.85Å; V518-V542 HydrophobicContact CB-CG2 4.24Å; V518-V542 HydrophobicContact CG1-CG2 3.77Å; V518-V542 HydrophobicContact CG2-CG2 3.47Å; V518-V542 VanDerWaalsContact CG2-CG2 3.47Å; V518-F547 HydrophobicContact CB-CE1 4.36Å; V518-F547 HydrophobicContact CB-CZ 4.31Å; V518-F547 HydrophobicContact CG1-CD1 4.35Å; V518-F547 HydrophobicContact CG1-CD2 4.25Å; V518-F547 HydrophobicContact CG1-CE1 3.91Å; V518-F547 HydrophobicContact CG1-CE2 3.83Å; V518-F547 HydrophobicContact CG1-CZ 3.67Å; V518-F547 HydrophobicContact CG2-CE1 4.24Å; V518-F547 HydrophobicContact CG2-CZ 3.97Å
519	K	87.2	Confident	64.6	Low	62 Å²	62	76.7 Å²	76.7	27%	0.27	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.6	169.2	-172.7	175.3	-178.4	169.2	0	109.7	V505 D506 T507 N537 L539	V505-K519 CarbonylContact C-O 3.55Å; V505-K519 WeakPolarHBondContact CA-O 3.33Å; V505-K519 WeakPolarHBondContact CG1-O 3.35Å; D506-K519 PolarHBondContact N-O 3.42Å; T507-K519 PolarHBondContact N-O 2.96Å; T507-K519 PolarHBondContact O-N 3.49Å; K519-N537 PolarHBondContact NZ-OD1 3.49Å; K519-N537 VanDerWaalsContact NZ-OD1 3.14Å; K519-L539 HydrophobicContact CB-CD2 4.05Å
520	L	83.9	Confident	62.4	Low	45 Å²	45	78.8 Å²	78.8	24%	0.236	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	150.7	177.4	-76.4	177.9	0	0	0	112.4	L499 D503 I504 V505 Q522	L499-L520 HydrophobicContact CD2-CD1 3.75Å; L499-L520 HydrophobicContact CD2-CD2 3.82Å; L499-L520 HydrophobicContact CD2-CG 3.78Å; D503-L520 HydrophobicContact CB-CD2 3.75Å; I504-L520 WeakPolarHBondContact O-CD2 3.17Å; V505-L520 HydrophobicContact CG2-CD2 4.01Å; L520-Q522 PolarHBondContact O-N 3.35Å
521	N	77.7	Confident	60.2	Low	16 Å²	16	84 Å²	84	9%	0.086	45%	0.453	C	S	.	.			trans	-76	109.2	171.1	-167.9	-36.2	0	0	0	110.5	K487 I504 D506 S523 S524	K487-N521 PolarHBondContact NZ-ND2 3.45Å; I504-N521 HydrophobicContact CB-CB 4.08Å; I504-N521 HydrophobicContact CG2-CB 4.17Å; I504-N521 WeakPolarHBondContact O-CB 3.17Å; I504-N521 PolarHBondContact O-N 3.31Å; D506-N521 HydrophobicContact CB-CB 4.38Å; D506-N521 VanDerWaalsContact CG-CG 3.41Å; D506-N521 WeakPolarHBondContact OD1-CB 3.5Å; D506-N521 VanDerWaalsContact OD1-CG 3.28Å; D506-N521 PolarHBondContact OD1-ND2 3.48Å; D506-N521 VanDerWaalsContact OD2-CA 3.24Å; D506-N521 WeakPolarHBondContact OD2-CA 3.25Å; D506-N521 WeakPolarHBondContact OD2-CB 3.49Å; D506-N521 PolarHBondContact OD2-ND2 3.08Å; D506-N521 PolarHBondContact OD2-OD1 2.94Å; N521-S523 VanDerWaalsContact CG-OG 3.31Å; N521-S523 PolarHBondContact O-N 3Å; N521-S523 VanDerWaalsContact O-N 3.14Å; N521-S523 VanDerWaalsContact OD1-CB 3.31Å; N521-S523 WeakPolarHBondContact OD1-CB 3.32Å; N521-S523 PolarHBondContact OD1-N 2.71Å; N521-S523 PolarHBondContact OD1-OG 3.2Å; N521-S524 PolarHBondContact O-N 2.82Å; N521-S524 PolarHBondContact O-OG 3.22Å
522	Q	64.9	Low	58.2	Low	106 Å²	106	88.2 Å²	88.2	50%	0.495	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-66.6	-10.2	-178.8	-69.1	175.1	-14.5	0	0	114.1	L520 S524 E536	L520-Q522 PolarHBondContact O-N 3.35Å; Q522-S524 PolarHBondContact O-N 3.48Å; Q522-E536 PolarHBondContact NE2-O 2.85Å
523	S	54.4	Low	56.3	Low	95 Å²	95	93.9 Å²	93.9	66%	0.664	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.8	176.1	64.5	0	0	0	0	114	N521	N521-S523 VanDerWaalsContact CG-OG 3.31Å; N521-S523 PolarHBondContact O-N 3Å; N521-S523 VanDerWaalsContact O-N 3.14Å; N521-S523 VanDerWaalsContact OD1-CB 3.31Å; N521-S523 WeakPolarHBondContact OD1-CB 3.32Å; N521-S523 PolarHBondContact OD1-N 2.71Å; N521-S523 PolarHBondContact OD1-OG 3.2Å
524	S	43.2	Very low	54.7	Low	68 Å²	68	97.2 Å²	97.2	48%	0.476	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-78.7	-18.1	-178.9	-34.3	0	0	0	0	114.4	N521 Q522	N521-S524 PolarHBondContact O-N 2.82Å; N521-S524 PolarHBondContact O-OG 3.22Å; Q522-S524 PolarHBondContact O-N 3.48Å
525	E	40.7	Very low	53.1	Low	96 Å²	96	102.4 Å²	102.4	45%	0.449	52%	0.515	S	S	.	.			trans	-120.9	16.5	-164.3	-73.3	-168.7	148.2	0	0	115.9	K527	E525-K527 PolarHBondContact O-N 2.96Å
526	K	34.3	Very low	51.3	Low	204 Å²	204	105.9 Å²	105.9	89%	0.887	53%	0.53	S	S	*	.			trans	-72.9	24.5	173.7	-93	-171.8	179.2	-179.4	0	115.6
527	K	33.7	Very low	49.9	Very low	185 Å²	185	112.1 Å²	112.1	80%	0.804	56%	0.563	S	S	*	*	S	Bend	trans	-132.1	110.5	171.4	-74.9	-173	175.9	-177.5	0	110.8	E525	E525-K527 PolarHBondContact O-N 2.96Å
528	E	31.9	Very low	48.9	Very low	183 Å²	183	117.1 Å²	117.1	86%	0.855	59%	0.585	S	S	*	*	S	Bend	trans	69.4	87.3	156.1	-62.2	173.7	172.6	0	0	117.2
529	S	34.1	Very low	48.5	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	61%	0.606	S	S	*	*				177.3	125.4	117.3	41.5	0	0	0	0	110.6
530	N	32.1	Very low	48.3	Very low	158 Å²	158	121.7 Å²	121.7	85%	0.845	61%	0.609	S	S	*	*			trans	-64.9	141	164.4	-74.2	-27.4	0	0	0	108.9
531	N	30	Very low	48.3	Very low	153 Å²	153	125 Å²	125	82%	0.818	63%	0.625	S	S	*	*			trans	89.9	64.4	174.1	-56.2	-18.2	0	0	0	117.4
532	Q	32	Very low	48.7	Very low	158 Å²	158	124.4 Å²	124.4	74%	0.738	62%	0.622	S	S	*	*			trans	-159.5	126.1	133	-113.9	151.6	-9.6	0	0	110	Y534	Q532-Y534 VanDerWaalsContact C-N 3.31Å; Q532-Y534 HydrophobicContact CB-CE2 4.35Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 2.9Å
533	M	27.1	Very low	49.6	Very low	184 Å²	184	120.2 Å²	120.2	91%	0.906	60%	0.604	S	S	*	*			trans	-65	91.1	175	-171.2	173.5	82.7	0	0	108	M535	M533-M535 PolarHBondContact O-N 3.17Å
534	Y	36.5	Very low	50.8	Low	136 Å²	136	116.2 Å²	116.2	53%	0.533	58%	0.577	S	S	.	*			trans	-68.1	122.2	174.9	-78.1	-88.8	0	0	0	108.6	Q532 E536	Q532-Y534 VanDerWaalsContact C-N 3.31Å; Q532-Y534 HydrophobicContact CB-CE2 4.35Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 2.9Å; Y534-E536 PolarHBondContact O-N 2.81Å
535	M	36.9	Very low	52.4	Low	119 Å²	119	114.1 Å²	114.1	59%	0.586	56%	0.559	S	S	*	*			trans	-58.9	94	173.3	-71.4	-102.9	-80.8	0	0	109.3	M533 N537 E538	M533-M535 PolarHBondContact O-N 3.17Å; M535-N537 VanDerWaalsContact C-N 3.32Å; M535-N537 PolarHBondContact O-N 3.22Å; M535-E538 WeakPolarHBondContact CE-OE2 3.36Å
536	E	42.5	Very low	54.5	Low	134 Å²	134	109.9 Å²	109.9	63%	0.626	54%	0.539	S	S	*	.			trans	-77.1	1.8	-161.7	-101.6	-173.3	163.4	0	0	116.6	Q522 Y534	Q522-E536 PolarHBondContact NE2-O 2.85Å; Y534-E536 PolarHBondContact O-N 2.81Å
537	N	52	Low	56.8	Low	131 Å²	131	100.9 Å²	100.9	70%	0.701	50%	0.5	S	S	*	.	S	Bend	trans	-146	4.5	-175.1	-88.5	-37.3	0	0	0	118.3	K519 M535	K519-N537 PolarHBondContact NZ-OD1 3.49Å; K519-N537 VanDerWaalsContact NZ-OD1 3.14Å; M535-N537 VanDerWaalsContact C-N 3.32Å; M535-N537 PolarHBondContact O-N 3.22Å
538	E	64.5	Low	59	Low	118 Å²	118	97.8 Å²	97.8	55%	0.551	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-93.2	134.6	-178.4	-68.3	-168.7	159.5	0	0	112.5	M535 F540	M535-E538 WeakPolarHBondContact CE-OE2 3.36Å; E538-F540 WeakPolarHBondContact O-CE2 3.42Å; E538-F540 PolarHBondContact O-N 3Å
539	L	78.3	Confident	61.1	Low	86 Å²	86	90.7 Å²	90.7	45%	0.45	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-70.6	121.2	168.2	-78.3	162.4	0	0	0	108.7	T507 V518 K519	T507-L539 HydrophobicContact CG2-CD2 3.99Å; V518-L539 WeakPolarHBondContact O-CA 3.45Å; K519-L539 HydrophobicContact CB-CD2 4.05Å
540	F	83.2	Confident	63	Low	73 Å²	73	88.9 Å²	88.9	32%	0.32	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.1	175.6	-57.1	-83.2	0	0	0	110.1	S517 V518 E538	S517-F540 CarbonylContact C-O 3.59Å; S517-F540 WeakPolarHBondContact CA-O 3.44Å; V518-F540 HydrophobicContact CG2-CB 4.27Å; V518-F540 PolarHBondContact N-O 3.42Å; V518-F540 PolarHBondContact O-N 2.85Å; E538-F540 WeakPolarHBondContact O-CE2 3.42Å; E538-F540 PolarHBondContact O-N 3Å
541	I	85.4	Confident	64.6	Low	113 Å²	113	83.7 Å²	83.7	58%	0.579	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.4	172.5	-59.1	177.4	0	0	0	108.8	L515 A516	L515-I541 HydrophobicContact CB-CG2 3.98Å; L515-I541 HydrophobicContact CD1-CG2 3.96Å; L515-I541 HydrophobicContact CD2-CG2 4.44Å; L515-I541 HydrophobicContact CG-CG2 4.36Å; A516-I541 WeakPolarHBondContact O-CA 3.24Å
542	V	84.8	Confident	66.1	Low	4 Å²	4	79 Å²	79	2%	0.024	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157	-172.3	-76.2	0	0	0	0	109.5	L499 L515 A516 V518 A544 F547	L499-V542 HydrophobicContact CD1-CG1 4.12Å; L499-V542 HydrophobicContact CD1-CG2 4.42Å; L515-V542 CarbonylContact C-O 3.59Å; L515-V542 WeakPolarHBondContact CA-O 3.43Å; A516-V542 PolarHBondContact N-O 3.44Å; A516-V542 PolarHBondContact O-N 3.29Å; A516-V542 VanDerWaalsContact O-O 3.14Å; V518-V542 HydrophobicContact CB-CG2 4.24Å; V518-V542 HydrophobicContact CG1-CG2 3.77Å; V518-V542 HydrophobicContact CG2-CG2 3.47Å; V518-V542 VanDerWaalsContact CG2-CG2 3.47Å; V542-A544 PolarHBondContact O-N 3.06Å; V542-F547 HydrophobicContact CB-CE2 4.25Å; V542-F547 HydrophobicContact CB-CZ 4.28Å; V542-F547 HydrophobicContact CG2-CE2 3.45Å; V542-F547 VanDerWaalsContact CG2-CE2 3.45Å; V542-F547 HydrophobicContact CG2-CZ 3.43Å; V542-F547 VanDerWaalsContact CG2-CZ 3.43Å
543	P	84.2	Confident	67.2	Low	18 Å²	18	75.8 Å²	75.8	12%	0.117	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	127.1	178.2	-23.6	33.8	0	0	0	112.7	G514 Y545 K546 F547	G514-P543 CarbonylContact O-C 3.56Å; G514-P543 WeakPolarHBondContact O-CA 3.47Å; P543-Y545 VanDerWaalsContact C-N 3.25Å; P543-Y545 HydrophobicContact CB-CD1 3.8Å; P543-Y545 HydrophobicContact CB-CE1 3.16Å; P543-Y545 HydrophobicContact CB-CE2 4.14Å; P543-Y545 VanDerWaalsContact CB-OH 3.28Å; P543-Y545 WeakPolarHBondContact CB-OH 3.41Å; P543-Y545 HydrophobicContact CG-CE1 4.19Å; P543-Y545 WeakPolarHBondContact CG-OH 3.09Å; P543-Y545 PolarHBondContact O-N 3.23Å; P543-K546 HydrophobicContact CB-CD 4.35Å; P543-K546 HydrophobicContact CB-CG 4.4Å; P543-K546 HydrophobicContact CG-CD 4.41Å; P543-K546 WeakPolarHBondContact O-CB 3.31Å; P543-K546 WeakPolarHBondContact O-CG 3.09Å; P543-K546 PolarHBondContact O-N 2.73Å; P543-F547 WeakPolarHBondContact O-CE2 3.39Å
544	A	79.8	Confident	68.3	Low	11 Å²	11	71.4 Å²	71.4	9%	0.091	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-62.3	-29	-169.7	0	0	0	0	0	113.7	F508 G514 A516 V542 K546 F547	F508-A544 HydrophobicContact CZ-CB 4.44Å; G514-A544 PolarHBondContact O-N 2.83Å; A516-A544 HydrophobicContact CB-CB 3.76Å; V542-A544 PolarHBondContact O-N 3.06Å; A544-K546 PolarHBondContact O-N 2.96Å; A544-K546 VanDerWaalsContact O-N 3.12Å; A544-F547 WeakPolarHBondContact O-CD2 3.31Å; A544-F547 PolarHBondContact O-N 3.08Å
545	Y	77.2	Confident	68.9	Low	25 Å²	25	65.7 Å²	65.7	10%	0.098	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-68.4	-8.7	-178.6	62.6	-105	0	0	0	114.6	L14 W58 I492 P543 F547	L14-Y545 HydrophobicContact CB-CD1 3.73Å; L14-Y545 HydrophobicContact CB-CE1 4.45Å; L14-Y545 HydrophobicContact CB-CG 4.49Å; L14-Y545 VanDerWaalsContact CD1-CB 3.47Å; L14-Y545 HydrophobicContact CD1-CD1 4.29Å; L14-Y545 HydrophobicContact CD1-CG 4.27Å; L14-Y545 HydrophobicContact CG-CD1 4.45Å; W58-Y545 HydrophobicContact CH2-CD2 4.24Å; W58-Y545 HydrophobicContact CH2-CE1 4Å; W58-Y545 AromaticContact CH2-CE2 3.18Å; W58-Y545 HydrophobicContact CH2-CE2 3.18Å; W58-Y545 AromaticContact CH2-CZ 3.04Å; W58-Y545 WeakPolarHBondContact CH2-OH 3.39Å; W58-Y545 AromaticContact CZ2-CE2 3.51Å; W58-Y545 HydrophobicContact CZ2-CE2 3.51Å; W58-Y545 AromaticContact CZ2-CZ 3.54Å; W58-Y545 WeakPolarHBondContact CZ2-OH 3.1Å; W58-Y545 HydrophobicContact CZ3-CE1 4.33Å; W58-Y545 HydrophobicContact CZ3-CE2 4.25Å; W58-Y545 AromaticContact CZ3-CZ 3.72Å; W58-Y545 WeakPolarHBondContact CZ3-OH 3.4Å; I492-Y545 HydrophobicContact CD1-CD2 3.99Å; I492-Y545 HydrophobicContact CD1-CE2 4.28Å; P543-Y545 VanDerWaalsContact C-N 3.25Å; P543-Y545 HydrophobicContact CB-CD1 3.8Å; P543-Y545 HydrophobicContact CB-CE1 3.16Å; P543-Y545 HydrophobicContact CB-CE2 4.14Å; P543-Y545 VanDerWaalsContact CB-OH 3.28Å; P543-Y545 WeakPolarHBondContact CB-OH 3.41Å; P543-Y545 HydrophobicContact CG-CE1 4.19Å; P543-Y545 WeakPolarHBondContact CG-OH 3.09Å; P543-Y545 PolarHBondContact O-N 3.23Å; Y545-F547 PolarHBondContact O-N 3.21Å
546	K	83.5	Confident	69.1	Low	6 Å²	6	65.1 Å²	65.1	3%	0.026	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-77.6	-7.7	-179.4	-63.3	-175.5	173.7	166.4	0	113	I491 I492 D494 P543 A544	I491-K546 VanDerWaalsContact CG1-O 3.25Å; I491-K546 WeakPolarHBondContact CG1-O 3.32Å; I491-K546 PolarHBondContact N-O 3.04Å; I492-K546 HydrophobicContact CB-CB 4.14Å; I492-K546 HydrophobicContact CB-CG 4Å; I492-K546 HydrophobicContact CG2-CD 4.36Å; I492-K546 HydrophobicContact CG2-CG 4.05Å; I492-K546 PolarHBondContact N-O 2.78Å; D494-K546 HydrophobicContact CB-CD 4.02Å; D494-K546 IonicContact OD1-NZ 3.08Å; D494-K546 PolarHBondContact OD1-NZ 3.17Å; P543-K546 HydrophobicContact CB-CD 4.35Å; P543-K546 HydrophobicContact CB-CG 4.4Å; P543-K546 HydrophobicContact CG-CD 4.41Å; P543-K546 WeakPolarHBondContact O-CB 3.31Å; P543-K546 WeakPolarHBondContact O-CG 3.09Å; P543-K546 PolarHBondContact O-N 2.73Å; A544-K546 PolarHBondContact O-N 2.96Å; A544-K546 VanDerWaalsContact O-N 3.12Å
547	F	83.7	Confident	69.2	Low	15 Å²	15	64.3 Å²	64.3	7%	0.066	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.3	-172.4	-51.7	-85	0	0	0	110.6	F488 D489 V490 L499 V505 F508 V518 V542 P543 A544 Y545	F488-F547 HydrophobicContact CB-CB 4.2Å; F488-F547 HydrophobicContact CD1-CB 3.87Å; F488-F547 HydrophobicContact CG-CB 4.44Å; D489-F547 WeakPolarHBondContact O-CA 3.21Å; V490-F547 HydrophobicContact CG2-CD1 3.96Å; V490-F547 HydrophobicContact CG2-CE1 3.69Å; L499-F547 HydrophobicContact CD1-CE1 3.78Å; L499-F547 HydrophobicContact CD1-CZ 3.46Å; L499-F547 VanDerWaalsContact CD1-CZ 3.46Å; V505-F547 HydrophobicContact CB-CD1 4.46Å; V505-F547 HydrophobicContact CG2-CD1 3.65Å; V505-F547 HydrophobicContact CG2-CE1 3.53Å; F508-F547 HydrophobicContact CD2-CB 4.07Å; F508-F547 HydrophobicContact CD2-CD2 4.19Å; F508-F547 HydrophobicContact CD2-CG 4.02Å; F508-F547 HydrophobicContact CE2-CB 3.71Å; F508-F547 AromaticContact CE2-CD2 3.64Å; F508-F547 HydrophobicContact CE2-CD2 3.64Å; F508-F547 AromaticContact CE2-CG 3.78Å; F508-F547 HydrophobicContact CE2-CG 3.78Å; V518-F547 HydrophobicContact CB-CE1 4.36Å; V518-F547 HydrophobicContact CB-CZ 4.31Å; V518-F547 HydrophobicContact CG1-CD1 4.35Å; V518-F547 HydrophobicContact CG1-CD2 4.25Å; V518-F547 HydrophobicContact CG1-CE1 3.91Å; V518-F547 HydrophobicContact CG1-CE2 3.83Å; V518-F547 HydrophobicContact CG1-CZ 3.67Å; V518-F547 HydrophobicContact CG2-CE1 4.24Å; V518-F547 HydrophobicContact CG2-CZ 3.97Å; V542-F547 HydrophobicContact CB-CE2 4.25Å; V542-F547 HydrophobicContact CB-CZ 4.28Å; V542-F547 HydrophobicContact CG2-CE2 3.45Å; V542-F547 VanDerWaalsContact CG2-CE2 3.45Å; V542-F547 HydrophobicContact CG2-CZ 3.43Å; V542-F547 VanDerWaalsContact CG2-CZ 3.43Å; P543-F547 WeakPolarHBondContact O-CE2 3.39Å; A544-F547 WeakPolarHBondContact O-CD2 3.31Å; A544-F547 PolarHBondContact O-N 3.08Å; Y545-F547 PolarHBondContact O-N 3.21Å
548	R	79.2	Confident	70.1	Confident	120 Å²	120	61 Å²	61	45%	0.453	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.6	170	-176.5	-175.7	67.7	167.9	4.2	109.4	F488 D489 I491 R550	F488-R548 CarbonylContact C-O 3.58Å; F488-R548 VanDerWaalsContact CA-O 3.26Å; F488-R548 WeakPolarHBondContact CA-O 3.33Å; F488-R548 WeakPolarHBondContact CB-O 3.37Å; D489-R548 PolarHBondContact N-O 3.05Å; D489-R548 PolarHBondContact O-N 3Å; I491-R548 HydrophobicContact CD1-CB 4.09Å; I491-R548 HydrophobicContact CG2-CB 4Å; R548-R550 PolarHBondContact O-N 3.17Å
549	P	75.9	Confident	70.4	Confident	35 Å²	35	57.9 Å²	57.9	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	132.8	172.8	-25.1	33.4	0	0	0	110.6	Y483 F488	Y483-P549 HydrophobicContact CE1-CG 4.17Å; F488-P549 HydrophobicContact CD1-CB 4.45Å; F488-P549 HydrophobicContact CD1-CG 4.12Å; F488-P549 VanDerWaalsContact CD1-N 3.28Å; F488-P549 HydrophobicContact CE1-CB 4.29Å; F488-P549 HydrophobicContact CE1-CG 3.65Å; F488-P549 HydrophobicContact CZ-CG 4.2Å
550	R	74.3	Confident	70	Confident	69 Å²	69	56.4 Å²	56.4	26%	0.26	29%	0.293	S	S	.	.			trans	-81.5	121.9	177.2	-172	179.4	-179.4	121	-14.9	108.4	K487 D489 I504 R548	K487-R550 HydrophobicContact CB-CB 4.23Å; K487-R550 WeakPolarHBondContact O-CA 3.19Å; K487-R550 WeakPolarHBondContact O-CB 3.46Å; K487-R550 PolarHBondContact O-N 3.07Å; D489-R550 IonicContact OD1-CZ 3.84Å; D489-R550 IonicContact OD1-NE 3.84Å; D489-R550 IonicContact OD1-NH1 2.77Å; D489-R550 PolarHBondContact OD1-NH1 3.35Å; I504-R550 VanDerWaalsContact CG1-NH1 3.29Å; R548-R550 PolarHBondContact O-N 3.17Å
551	I	66.3	Low	69.2	Low	49 Å²	49	55.4 Å²	55.4	25%	0.251	29%	0.291	S	S	.	.			trans	-91.8	107.2	178.1	-58.8	-176.7	0	0	0	107.3	L302 Y309	L302-I551 HydrophobicContact CD2-CD1 3.33Å; L302-I551 HydrophobicContact CD2-CG2 4.23Å; Y309-I551 HydrophobicContact CE1-CG2 4.38Å; Y309-I551 HydrophobicContact CE2-CB 4.2Å; Y309-I551 HydrophobicContact CE2-CD1 4.47Å; Y309-I551 HydrophobicContact CE2-CG1 3.81Å; Y309-I551 HydrophobicContact CE2-CG2 4.05Å; Y309-I551 WeakPolarHBondContact OH-CA 3.18Å; Y309-I551 WeakPolarHBondContact OH-CB 3.5Å; Y309-I551 WeakPolarHBondContact OH-CG2 3.01Å
552	N	61.6	Low	68.2	Low	56 Å²	56	51.8 Å²	51.8	30%	0.299	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-77.7	129	179.2	-87.7	-11.9	0	0	0	110.5	Y309	Y309-N552 PolarHBondContact OH-N 3.42Å; Y309-N552 VanDerWaalsContact OH-N 3.07Å
553	I	53.7	Low	67.1	Low	90 Å²	90	55 Å²	55	46%	0.462	29%	0.289	S	S	.	.			trans	-106.2	83.2	179.7	-50	173.6	0	0	0	107.1	I295	I295-I553 HydrophobicContact CD1-CG2 4.15Å; I295-I553 HydrophobicContact CG1-CG2 4.1Å
554	T	50.3	Low	65.8	Low	91 Å²	91	57.6 Å²	57.6	56%	0.558	30%	0.302	S	S	*	.			trans	-143.6	55.4	180	56.1	0	0	0	0	112.1
555	W	49.3	Very low	64.8	Low	17 Å²	17	61.2 Å²	61.2	6%	0.064	32%	0.318	C	S	.	.			trans	-112.6	106.1	161.4	-121.9	69.2	0	0	0	107.8	F230 E231 V292 I295	F230-W555 HydrophobicContact CB-CH2 4.22Å; F230-W555 HydrophobicContact CB-CZ2 4.02Å; F230-W555 AromaticContact CD1-CH2 3.29Å; F230-W555 HydrophobicContact CD1-CH2 3.29Å; F230-W555 AromaticContact CD1-CZ2 3.3Å; F230-W555 HydrophobicContact CD1-CZ2 3.3Å; F230-W555 HydrophobicContact CD1-CZ3 4.46Å; F230-W555 HydrophobicContact CD2-CH2 4.38Å; F230-W555 AromaticContact CE1-CH2 3.6Å; F230-W555 HydrophobicContact CE1-CH2 3.6Å; F230-W555 AromaticContact CE1-CZ2 3.95Å; F230-W555 HydrophobicContact CE1-CZ2 3.95Å; F230-W555 HydrophobicContact CE1-CZ3 4.42Å; F230-W555 AromaticContact CG-CH2 3.72Å; F230-W555 HydrophobicContact CG-CH2 3.72Å; F230-W555 AromaticContact CG-CZ2 3.86Å; F230-W555 HydrophobicContact CG-CZ2 3.86Å; F230-W555 HydrophobicContact CZ-CH2 4.26Å; F230-W555 WeakPolarHBondContact O-CH2 3.47Å; E231-W555 HydrophobicContact CB-CD2 4.27Å; E231-W555 HydrophobicContact CB-CH2 4.43Å; E231-W555 HydrophobicContact CB-CZ2 3.48Å; E231-W555 VanDerWaalsContact CB-CZ2 3.48Å; E231-W555 HydrophobicContact CG-CZ2 3.69Å; E231-W555 PolarHBondContact OE1-NE1 3.32Å; V292-W555 HydrophobicContact CG1-CB 4.05Å; V292-W555 HydrophobicContact CG1-CG 4.07Å; I295-W555 WeakPolarHBondContact CB-O 3.46Å; I295-W555 VanDerWaalsContact CG2-O 3.25Å; I295-W555 WeakPolarHBondContact CG2-O 3.36Å
556	S	42.5	Very low	63.7	Low	107 Å²	107	64.3 Å²	64.3	75%	0.748	34%	0.336	S	S	*	.			trans	-82.9	126.5	156.2	51.8	0	0	0	0	105.9
557	N	44.5	Very low	61.9	Low	116 Å²	116	69.5 Å²	69.5	62%	0.62	37%	0.365	S	S	*	.			trans	-36.3	0	176.6	-77	-16.1	0	0	0	112.3	E233	E233-N557 WeakPolarHBondContact CG-OXT 3.33Å

Retrieved 557 of 557 residues in 1116.1 ms (Link to these results)

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