A0A077ZGV0_TRITR Loading...

KH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 761 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	53.9	Low	210 Å²	210	96.4 Å²	96.4	100%	1.034	48%	0.476	S	S	*	.				0	108.3	0	-173.3	172.7	178.6	0	0	105.4	F3	M1-F3 PolarHBondContact O-N 3.39Å
2	I	40.9	Very low	55.4	Low	68 Å²	68	93.7 Å²	93.7	35%	0.349	46%	0.461	S	S	.	.			trans	-67.5	128.3	-174.5	-56.6	170.2	0	0	0	107.6	D6 R7 L53	I2-D6 HydrophobicContact CG2-CB 3.47Å; I2-D6 VanDerWaalsContact CG2-CB 3.47Å; I2-R7 HydrophobicContact CB-CG 4.22Å; I2-R7 HydrophobicContact CG2-CG 3.62Å; I2-L53 HydrophobicContact CD1-CD1 3.96Å; I2-L53 HydrophobicContact CD1-CD2 4.26Å; I2-L53 HydrophobicContact CG1-CD1 4.03Å
3	F	41.4	Very low	57	Low	141 Å²	141	86.5 Å²	86.5	62%	0.618	43%	0.426	S	S	*	.			trans	-67.1	156.7	178.5	-67.4	-85.3	0	0	0	109.9	M1 E5 D6 R7	M1-F3 PolarHBondContact O-N 3.39Å; F3-E5 PolarHBondContact O-N 3.13Å; F3-D6 VanDerWaalsContact CB-OD2 3.3Å; F3-D6 WeakPolarHBondContact CB-OD2 3.46Å; F3-D6 WeakPolarHBondContact CD2-OD2 3.46Å; F3-D6 PolarHBondContact N-OD2 3.47Å; F3-D6 PolarHBondContact O-N 3.11Å; F3-R7 PolarHBondContact O-N 3.14Å; F3-R7 VanDerWaalsContact O-N 3.1Å
4	A	48	Very low	58.2	Low	89 Å²	89	82.9 Å²	82.9	74%	0.736	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-27.4	178.8	0	0	0	0	0	112.2	L8	A4-L8 PolarHBondContact O-N 3.41Å
5	E	51.7	Low	59.5	Low	147 Å²	147	82.8 Å²	82.8	69%	0.687	41%	0.407	S	S	*	.	H	α-helix	trans	-72.1	-47.8	176.7	-160.4	152.6	-155.2	0	0	111.5	F3 R7 L8 Q9	F3-E5 PolarHBondContact O-N 3.13Å; E5-R7 PolarHBondContact O-N 3.38Å; E5-L8 WeakPolarHBondContact O-CB 2.83Å; E5-L8 PolarHBondContact O-N 3.47Å; E5-L8 VanDerWaalsContact O-N 3.15Å; E5-Q9 WeakPolarHBondContact O-CG 3.36Å; E5-Q9 PolarHBondContact O-N 3.2Å
6	D	54.1	Low	60.6	Low	27 Å²	27	78.9 Å²	78.9	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-57.4	-44.3	173.9	-56.9	-41.6	0	0	0	112.1	I2 F3 L8 Q9 I10 Q50	I2-D6 HydrophobicContact CG2-CB 3.47Å; I2-D6 VanDerWaalsContact CG2-CB 3.47Å; F3-D6 VanDerWaalsContact CB-OD2 3.3Å; F3-D6 WeakPolarHBondContact CB-OD2 3.46Å; F3-D6 WeakPolarHBondContact CD2-OD2 3.46Å; F3-D6 PolarHBondContact N-OD2 3.47Å; F3-D6 PolarHBondContact O-N 3.11Å; D6-L8 VanDerWaalsContact C-N 3.29Å; D6-L8 PolarHBondContact O-N 2.81Å; D6-Q9 PolarHBondContact O-N 3.14Å; D6-Q9 VanDerWaalsContact O-N 3.14Å; D6-I10 WeakPolarHBondContact O-CG1 3.46Å; D6-I10 PolarHBondContact O-N 3.13Å; D6-Q50 VanDerWaalsContact CG-OE1 3.28Å; D6-Q50 PolarHBondContact OD1-NE2 3.45Å
7	R	60.6	Low	61.6	Low	154 Å²	154	74.2 Å²	74.2	58%	0.581	37%	0.365	S	S	*	.	H	α-helix	trans	-57.8	-43.5	176.5	-78.2	-165.3	169.7	-147.6	-3.3	111.8	I2 F3 E5 Q9 I10 E11	I2-R7 HydrophobicContact CB-CG 4.22Å; I2-R7 HydrophobicContact CG2-CG 3.62Å; F3-R7 PolarHBondContact O-N 3.14Å; F3-R7 VanDerWaalsContact O-N 3.1Å; E5-R7 PolarHBondContact O-N 3.38Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.4Å; R7-I10 PolarHBondContact O-N 3.38Å; R7-E11 WeakPolarHBondContact O-CG 3.43Å; R7-E11 PolarHBondContact O-N 3.22Å
8	L	59.2	Low	62.7	Low	51 Å²	51	73.3 Å²	73.3	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-36.2	178.6	-164.1	81.7	0	0	0	111.4	A4 E5 D6 Q12 C337	A4-L8 PolarHBondContact O-N 3.41Å; E5-L8 WeakPolarHBondContact O-CB 2.83Å; E5-L8 PolarHBondContact O-N 3.47Å; E5-L8 VanDerWaalsContact O-N 3.15Å; D6-L8 VanDerWaalsContact C-N 3.29Å; D6-L8 PolarHBondContact O-N 2.81Å; L8-Q12 WeakPolarHBondContact O-CB 3.17Å; L8-Q12 WeakPolarHBondContact O-CG 3.02Å; L8-Q12 PolarHBondContact O-N 3.38Å; L8-C337 HydrophobicContact CD2-CB 4.04Å
9	Q	64.8	Low	63.4	Low	40 Å²	40	77.3 Å²	77.3	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-66.9	-43.2	174.7	-65.8	-170.9	10.4	0	0	111.8	E5 D6 R7 Q12 V13 H46 L47	E5-Q9 WeakPolarHBondContact O-CG 3.36Å; E5-Q9 PolarHBondContact O-N 3.2Å; D6-Q9 PolarHBondContact O-N 3.14Å; D6-Q9 VanDerWaalsContact O-N 3.14Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 3.4Å; Q9-Q12 PolarHBondContact O-N 3.4Å; Q9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q9-V13 PolarHBondContact O-N 2.85Å; Q9-H46 PolarHBondContact NE2-CD2 2.84Å; Q9-H46 VanDerWaalsContact NE2-CD2 3.34Å; Q9-H46 PolarHBondContact NE2-NE2 3.44Å; Q9-H46 VanDerWaalsContact NE2-NE2 3.17Å; Q9-H46 PolarHBondContact OE1-CD2 3.08Å; Q9-H46 VanDerWaalsContact OE1-CD2 3.25Å; Q9-L47 HydrophobicContact CB-CD2 3.69Å; Q9-L47 HydrophobicContact CB-CG 4.42Å
10	I	66.7	Low	63.9	Low	25 Å²	25	73.8 Å²	73.8	13%	0.128	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-47.6	176.3	-67.3	164.8	0	0	0	111.1	D6 R7 Q12 V13 D14 L47 L53 L54	D6-I10 WeakPolarHBondContact O-CG1 3.46Å; D6-I10 PolarHBondContact O-N 3.13Å; R7-I10 PolarHBondContact O-N 3.38Å; I10-Q12 VanDerWaalsContact C-N 3.34Å; I10-Q12 PolarHBondContact O-N 3.39Å; I10-V13 PolarHBondContact O-N 3.42Å; I10-D14 PolarHBondContact O-N 3.36Å; I10-L47 HydrophobicContact CG1-CD1 4.31Å; I10-L47 HydrophobicContact CG1-CD2 4.06Å; I10-L53 HydrophobicContact CD1-CB 3.82Å; I10-L53 HydrophobicContact CD1-CD1 3.87Å; I10-L54 HydrophobicContact CG2-CD2 3.8Å; I10-L54 HydrophobicContact CG2-CG 4.36Å
11	E	71.2	Confident	64.4	Low	108 Å²	108	72.8 Å²	72.8	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.9	-73.6	173.8	-173.5	0	0	112.2	R7 D14 H15	R7-E11 WeakPolarHBondContact O-CG 3.43Å; R7-E11 PolarHBondContact O-N 3.22Å; E11-D14 PolarHBondContact O-N 3.02Å; E11-H15 PolarHBondContact O-CD2 3.5Å; E11-H15 PolarHBondContact O-N 3.31Å; E11-H15 VanDerWaalsContact O-N 3.1Å
12	Q	71.8	Confident	66.3	Low	64 Å²	64	65.3 Å²	65.3	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-36.6	175.6	-77	177	40.4	0	0	112.8	L8 Q9 I10 L16 K43	L8-Q12 WeakPolarHBondContact O-CB 3.17Å; L8-Q12 WeakPolarHBondContact O-CG 3.02Å; L8-Q12 PolarHBondContact O-N 3.38Å; Q9-Q12 PolarHBondContact O-N 3.4Å; I10-Q12 VanDerWaalsContact C-N 3.34Å; I10-Q12 PolarHBondContact O-N 3.39Å; Q12-L16 VanDerWaalsContact O-CG 3.31Å; Q12-L16 WeakPolarHBondContact O-CG 3Å; Q12-L16 PolarHBondContact O-N 3.31Å; Q12-L16 VanDerWaalsContact O-N 3.12Å; Q12-K43 HydrophobicContact CB-CD 4.44Å
13	V	75.4	Confident	67.7	Low	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-41.5	174	165.9	0	0	0	0	110.7	Q9 I10 H15 L16 I17 L40 K43 V44 L47 L54	Q9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q9-V13 PolarHBondContact O-N 2.85Å; I10-V13 PolarHBondContact O-N 3.42Å; V13-H15 VanDerWaalsContact C-N 3.32Å; V13-H15 PolarHBondContact O-N 3.21Å; V13-L16 PolarHBondContact O-N 3.46Å; V13-L16 VanDerWaalsContact O-N 3.08Å; V13-I17 HydrophobicContact CG1-CD1 3.86Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.01Å; V13-L40 HydrophobicContact CG1-CD1 4.27Å; V13-K43 HydrophobicContact CG2-CB 3.77Å; V13-V44 HydrophobicContact CG1-CG2 3.67Å; V13-V44 HydrophobicContact CG2-CG2 4.07Å; V13-L47 HydrophobicContact CB-CD1 4.16Å; V13-L47 HydrophobicContact CG1-CD1 4.48Å; V13-L47 HydrophobicContact CG2-CD1 3.73Å; V13-L54 HydrophobicContact CG1-CD1 3.96Å
14	D	75.1	Confident	68.5	Low	36 Å²	36	60.8 Å²	60.8	19%	0.193	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-43.3	178.4	-155.9	46.6	0	0	0	112.3	I10 E11 I17 D18 R58	I10-D14 PolarHBondContact O-N 3.36Å; E11-D14 PolarHBondContact O-N 3.02Å; D14-I17 PolarHBondContact O-N 3.23Å; D14-D18 PolarHBondContact O-N 3.46Å; D14-R58 VanDerWaalsContact CG-NE 3.3Å; D14-R58 WeakPolarHBondContact OD1-CD 3.39Å; D14-R58 WeakPolarHBondContact OD1-CG 3.37Å; D14-R58 IonicContact OD1-CZ 2.87Å; D14-R58 IonicContact OD1-NE 2.66Å; D14-R58 PolarHBondContact OD1-NE 3.26Å; D14-R58 IonicContact OD1-NH1 2.65Å; D14-R58 IonicContact OD1-NH2 2.64Å; D14-R58 IonicContact OD2-CZ 3.82Å; D14-R58 IonicContact OD2-NE 3.39Å; D14-R58 PolarHBondContact OD2-NE 3.3Å; D14-R58 VanDerWaalsContact OD2-NE 3.12Å; D14-R58 IonicContact OD2-NH2 2.72Å; D14-R58 PolarHBondContact OD2-NH2 3.35Å
15	H	77	Confident	68.8	Low	82 Å²	82	64.6 Å²	64.6	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-70.2	-29.2	174.9	-71.7	-50.8	0	0	0	114.4	E11 V13 R19 R282	E11-H15 PolarHBondContact O-CD2 3.5Å; E11-H15 PolarHBondContact O-N 3.31Å; E11-H15 VanDerWaalsContact O-N 3.1Å; V13-H15 VanDerWaalsContact C-N 3.32Å; V13-H15 PolarHBondContact O-N 3.21Å; H15-R19 WeakPolarHBondContact O-CB 3.41Å; H15-R19 PolarHBondContact O-N 3.4Å; H15-R19 VanDerWaalsContact O-N 3.08Å; H15-R282 PolarHBondContact CD2-NH1 3.04Å; H15-R282 PolarHBondContact CE1-NH1 3.43Å; H15-R282 VanDerWaalsContact CG-NH2 3.32Å; H15-R282 PolarHBondContact ND1-NH1 3.48Å; H15-R282 PolarHBondContact ND1-NH2 3.12Å; H15-R282 PolarHBondContact NE2-NH1 2.84Å
16	L	76.8	Confident	68.8	Low	20 Å²	20	59.9 Å²	59.9	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-73.4	-37	172.4	-76.8	167.7	0	0	0	111.4	Q12 V13 D18 R19 V20 L40 K43	Q12-L16 VanDerWaalsContact O-CG 3.31Å; Q12-L16 WeakPolarHBondContact O-CG 3Å; Q12-L16 PolarHBondContact O-N 3.31Å; Q12-L16 VanDerWaalsContact O-N 3.12Å; V13-L16 PolarHBondContact O-N 3.46Å; V13-L16 VanDerWaalsContact O-N 3.08Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.17Å; L16-R19 PolarHBondContact O-N 3.23Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.23Å; L16-L40 HydrophobicContact CB-CB 4.35Å; L16-L40 HydrophobicContact CB-CD1 3.76Å; L16-K43 HydrophobicContact CD1-CD 3.73Å
17	I	78.2	Confident	68.8	Low	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-49	172.9	-68.5	161.4	0	0	0	109.9	V13 D14 R19 S21 L40 K61 L62	V13-I17 HydrophobicContact CG1-CD1 3.86Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.01Å; D14-I17 PolarHBondContact O-N 3.23Å; I17-R19 PolarHBondContact O-N 3.02Å; I17-S21 VanDerWaalsContact O-CB 3.24Å; I17-S21 WeakPolarHBondContact O-CB 3.17Å; I17-S21 PolarHBondContact O-N 3.06Å; I17-S21 PolarHBondContact O-OG 2.72Å; I17-L40 HydrophobicContact CG1-CD1 4Å; I17-K61 HydrophobicContact CG2-CB 3.9Å; I17-L62 HydrophobicContact CD1-CB 3.84Å; I17-L62 HydrophobicContact CD1-CD1 4.17Å; I17-L62 HydrophobicContact CD1-CD2 4.45Å; I17-L62 HydrophobicContact CD1-CG 4.38Å; I17-L62 HydrophobicContact CG1-CB 4.15Å; I17-L62 HydrophobicContact CG1-CD1 3.87Å
18	D	80.4	Confident	68.6	Low	58 Å²	58	62.9 Å²	62.9	31%	0.31	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-37.5	178.6	-74	-32.2	0	0	0	112.4	D14 L16 S22 R58 K61	D14-D18 PolarHBondContact O-N 3.46Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.17Å; D18-S22 PolarHBondContact O-N 3.12Å; D18-S22 VanDerWaalsContact O-N 3.15Å; D18-R58 IonicContact OD1-CZ 2.72Å; D18-R58 IonicContact OD1-NH1 3.96Å; D18-R58 PolarHBondContact OD1-NH1 2.92Å; D18-R58 IonicContact OD1-NH2 3.2Å; D18-R58 IonicContact OD2-CZ 3.22Å; D18-R58 IonicContact OD2-NH1 3.52Å; D18-R58 PolarHBondContact OD2-NH1 2.97Å; D18-R58 IonicContact OD2-NH2 3.12Å; D18-R58 PolarHBondContact OD2-NH2 3.13Å; D18-K61 IonicContact OD1-NZ 3.53Å
19	R	76.1	Confident	68.5	Low	148 Å²	148	63.6 Å²	63.6	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-69.1	-40.8	177.2	-166.4	177.9	-165.5	173.8	6.1	113.2	H15 L16 I17 S22 F23	H15-R19 WeakPolarHBondContact O-CB 3.41Å; H15-R19 PolarHBondContact O-N 3.4Å; H15-R19 VanDerWaalsContact O-N 3.08Å; L16-R19 PolarHBondContact O-N 3.23Å; I17-R19 PolarHBondContact O-N 3.02Å; R19-S22 PolarHBondContact O-N 2.82Å; R19-S22 PolarHBondContact O-OG 2.91Å; R19-F23 HydrophobicContact CG-CZ 4.49Å
20	V	73.3	Confident	68.4	Low	8 Å²	8	66.9 Å²	66.9	5%	0.048	35%	0.35	C	S	.	.	H	α-helix	trans	-72.7	-35.3	177.1	-177.4	0	0	0	0	110.3	L16 S22 F23 C36 I37 L40 C65	L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.23Å; V20-S22 VanDerWaalsContact C-N 3.26Å; V20-S22 PolarHBondContact O-N 2.91Å; V20-F23 HydrophobicContact CB-CD2 4.26Å; V20-F23 HydrophobicContact CB-CE2 4.35Å; V20-F23 HydrophobicContact CG1-CD2 4.05Å; V20-F23 HydrophobicContact CG1-CE2 4.41Å; V20-F23 HydrophobicContact CG2-CD2 4.49Å; V20-F23 HydrophobicContact CG2-CE2 4.1Å; V20-F23 WeakPolarHBondContact O-CB 3.38Å; V20-F23 PolarHBondContact O-N 2.84Å; V20-C36 HydrophobicContact CG2-CB 4.25Å; V20-I37 HydrophobicContact CG1-CG1 3.74Å; V20-I37 HydrophobicContact CG2-CG1 4.47Å; V20-L40 HydrophobicContact CB-CD2 4.22Å; V20-L40 HydrophobicContact CG2-CB 4.38Å; V20-L40 HydrophobicContact CG2-CD2 3.98Å; V20-C65 WeakPolarHBondContact CG1-SG 2.8Å
21	S	74.9	Confident	68.2	Low	52 Å²	52	70.7 Å²	70.7	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-28.3	173.8	-58.5	0	0	0	0	113.3	I17 F23	I17-S21 VanDerWaalsContact O-CB 3.24Å; I17-S21 WeakPolarHBondContact O-CB 3.17Å; I17-S21 PolarHBondContact O-N 3.06Å; I17-S21 PolarHBondContact O-OG 2.72Å; S21-F23 VanDerWaalsContact C-N 3.3Å; S21-F23 PolarHBondContact O-N 2.72Å
22	S	74.2	Confident	67.7	Low	53 Å²	53	68 Å²	68	37%	0.371	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-80.1	-5.9	177.8	72.2	0	0	0	0	114.5	D18 R19 V20 D24 L25 S26	D18-S22 PolarHBondContact O-N 3.12Å; D18-S22 VanDerWaalsContact O-N 3.15Å; R19-S22 PolarHBondContact O-N 2.82Å; R19-S22 PolarHBondContact O-OG 2.91Å; V20-S22 VanDerWaalsContact C-N 3.26Å; V20-S22 PolarHBondContact O-N 2.91Å; S22-D24 PolarHBondContact O-N 3.06Å; S22-L25 PolarHBondContact O-N 2.7Å; S22-L25 VanDerWaalsContact O-N 3.14Å; S22-S26 PolarHBondContact O-OG 3.38Å
23	F	70	Confident	67.5	Low	17 Å²	17	66.3 Å²	66.3	8%	0.075	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-71.3	-13.9	177.1	-68.6	-32.6	0	0	0	114.7	R19 V20 S21 L25 S26 S28 V32 K33 C36	R19-F23 HydrophobicContact CG-CZ 4.49Å; V20-F23 HydrophobicContact CB-CD2 4.26Å; V20-F23 HydrophobicContact CB-CE2 4.35Å; V20-F23 HydrophobicContact CG1-CD2 4.05Å; V20-F23 HydrophobicContact CG1-CE2 4.41Å; V20-F23 HydrophobicContact CG2-CD2 4.49Å; V20-F23 HydrophobicContact CG2-CE2 4.1Å; V20-F23 WeakPolarHBondContact O-CB 3.38Å; V20-F23 PolarHBondContact O-N 2.84Å; S21-F23 VanDerWaalsContact C-N 3.3Å; S21-F23 PolarHBondContact O-N 2.72Å; F23-L25 VanDerWaalsContact C-N 3.27Å; F23-S26 WeakPolarHBondContact CA-OG 3.48Å; F23-S28 VanDerWaalsContact CD1-OG 3.22Å; F23-S28 WeakPolarHBondContact CD1-OG 3.42Å; F23-V32 HydrophobicContact CZ-CG1 4.45Å; F23-K33 HydrophobicContact CB-CD 4.04Å; F23-K33 HydrophobicContact CB-CG 4.21Å; F23-K33 HydrophobicContact CD1-CG 4.17Å; F23-K33 HydrophobicContact CD2-CB 4.24Å; F23-K33 HydrophobicContact CD2-CG 3.89Å; F23-K33 HydrophobicContact CE1-CG 4.5Å; F23-K33 HydrophobicContact CE2-CB 4.38Å; F23-K33 HydrophobicContact CE2-CG 4.25Å; F23-K33 HydrophobicContact CG-CD 4.25Å; F23-K33 HydrophobicContact CG-CG 3.86Å; F23-K33 PolarHBondContact O-NZ 2.73Å; F23-C36 HydrophobicContact CE2-CB 3.57Å; F23-C36 HydrophobicContact CZ-CB 3.65Å
24	D	58.7	Low	67.2	Low	98 Å²	98	69.7 Å²	69.7	52%	0.524	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-78.9	-11.4	170.9	-89.7	-2	0	0	0	113.3	S22 K72	S22-D24 PolarHBondContact O-N 3.06Å; D24-K72 IonicContact OD1-NZ 3.32Å; D24-K72 PolarHBondContact OD1-NZ 3.46Å; D24-K72 IonicContact OD2-NZ 2.72Å; D24-K72 PolarHBondContact OD2-NZ 3.48Å
25	L	54	Low	67	Low	168 Å²	168	73.1 Å²	73.1	88%	0.88	38%	0.379	S	S	*	.	S	Bend	trans	-106.7	-4.1	176.7	-69.3	166.5	0	0	0	113.2	S22 F23	S22-L25 PolarHBondContact O-N 2.7Å; S22-L25 VanDerWaalsContact O-N 3.14Å; F23-L25 VanDerWaalsContact C-N 3.27Å
26	S	53.2	Low	66.7	Low	48 Å²	48	69.7 Å²	69.7	34%	0.336	36%	0.364	S	S	.	.			trans	-129.8	138.7	-170.3	50.5	0	0	0	0	114.1	S22 F23 S28 K33	S22-S26 PolarHBondContact O-OG 3.38Å; F23-S26 WeakPolarHBondContact CA-OG 3.48Å; S26-S28 PolarHBondContact O-N 3.17Å; S26-K33 PolarHBondContact O-NZ 3.47Å
27	Q	52.6	Low	66.5	Low	209 Å²	209	69 Å²	69	98%	0.977	36%	0.36	S	S	*	.			trans	-74.3	32.2	173.1	-63.7	-173.4	-6.7	0	0	112.7
28	S	56.5	Low	66.4	Low	35 Å²	35	69.4 Å²	69.4	25%	0.245	37%	0.365	C	S	.	.			trans	-64	145.3	176.8	58.6	0	0	0	0	110.8	F23 S26 K33	F23-S28 VanDerWaalsContact CD1-OG 3.22Å; F23-S28 WeakPolarHBondContact CD1-OG 3.42Å; S26-S28 PolarHBondContact O-N 3.17Å; S28-K33 VanDerWaalsContact O-CE 3.25Å; S28-K33 WeakPolarHBondContact O-CE 3.24Å; S28-K33 WeakPolarHBondContact OG-CE 3.47Å; S28-K33 WeakPolarHBondContact OG-CG 3.39Å
29	S	57.6	Low	66.3	Low	67 Å²	67	71 Å²	71	47%	0.469	37%	0.373	S	S	.	.			trans	-60.4	146.7	-176.3	76.8	0	0	0	0	111.2	Q31 V32 K33	S29-Q31 PolarHBondContact O-N 3.13Å; S29-V32 PolarHBondContact O-N 3.37Å; S29-V32 VanDerWaalsContact O-N 3.1Å; S29-V32 WeakPolarHBondContact OG-CG2 3.44Å; S29-V32 PolarHBondContact OG-N 3.32Å; S29-K33 PolarHBondContact O-N 3.31Å; S29-K33 VanDerWaalsContact O-N 3.12Å
30	N	63.3	Low	66.5	Low	109 Å²	109	64 Å²	64	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-55	-28.5	178.8	-77.5	-30.5	0	0	0	112.3	K34	N30-K34 VanDerWaalsContact O-CG 3.29Å; N30-K34 WeakPolarHBondContact O-CG 3.21Å; N30-K34 PolarHBondContact O-N 2.96Å
31	Q	61.5	Low	66.8	Low	105 Å²	105	63.6 Å²	63.6	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-48.8	177.2	-171.2	61.7	19.2	0	0	112.3	S29 K33 K34 E35	S29-Q31 PolarHBondContact O-N 3.13Å; Q31-K33 VanDerWaalsContact C-N 3.26Å; Q31-K33 PolarHBondContact O-N 2.95Å; Q31-K34 WeakPolarHBondContact O-CB 3.13Å; Q31-K34 PolarHBondContact O-N 3.23Å; Q31-K34 VanDerWaalsContact O-N 3.13Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.32Å; Q31-E35 PolarHBondContact NE2-OE1 2.94Å; Q31-E35 PolarHBondContact O-N 3.22Å
32	V	60.5	Low	67	Low	51 Å²	51	64.2 Å²	64.2	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-36.5	177	173.7	0	0	0	0	111.1	F23 S29 C36	F23-V32 HydrophobicContact CZ-CG1 4.45Å; S29-V32 PolarHBondContact O-N 3.37Å; S29-V32 VanDerWaalsContact O-N 3.1Å; S29-V32 WeakPolarHBondContact OG-CG2 3.44Å; S29-V32 PolarHBondContact OG-N 3.32Å; V32-C36 WeakPolarHBondContact O-CB 3.41Å; V32-C36 PolarHBondContact O-N 3.33Å; V32-C36 VanDerWaalsContact O-N 3.08Å; V32-C36 PolarHBondContact O-SG 2.86Å; V32-C36 VanDerWaalsContact O-SG 3.35Å
33	K	68.3	Low	67.2	Low	28 Å²	28	64.3 Å²	64.3	12%	0.122	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-54.2	171.9	-64.8	-172	-179	-172.1	0	110.5	F23 S26 S28 S29 Q31 E35 C36 I37	F23-K33 HydrophobicContact CB-CD 4.04Å; F23-K33 HydrophobicContact CB-CG 4.21Å; F23-K33 HydrophobicContact CD1-CG 4.17Å; F23-K33 HydrophobicContact CD2-CB 4.24Å; F23-K33 HydrophobicContact CD2-CG 3.89Å; F23-K33 HydrophobicContact CE1-CG 4.5Å; F23-K33 HydrophobicContact CE2-CB 4.38Å; F23-K33 HydrophobicContact CE2-CG 4.25Å; F23-K33 HydrophobicContact CG-CD 4.25Å; F23-K33 HydrophobicContact CG-CG 3.86Å; F23-K33 PolarHBondContact O-NZ 2.73Å; S26-K33 PolarHBondContact O-NZ 3.47Å; S28-K33 VanDerWaalsContact O-CE 3.25Å; S28-K33 WeakPolarHBondContact O-CE 3.24Å; S28-K33 WeakPolarHBondContact OG-CE 3.47Å; S28-K33 WeakPolarHBondContact OG-CG 3.39Å; S29-K33 PolarHBondContact O-N 3.31Å; S29-K33 VanDerWaalsContact O-N 3.12Å; Q31-K33 VanDerWaalsContact C-N 3.26Å; Q31-K33 PolarHBondContact O-N 2.95Å; K33-E35 PolarHBondContact O-N 3.2Å; K33-C36 PolarHBondContact O-N 2.85Å; K33-I37 HydrophobicContact CB-CD1 4.44Å; K33-I37 WeakPolarHBondContact O-CB 3.43Å; K33-I37 VanDerWaalsContact O-CD1 3.27Å; K33-I37 WeakPolarHBondContact O-CD1 3.4Å; K33-I37 WeakPolarHBondContact O-CG1 3.32Å; K33-I37 PolarHBondContact O-N 3.42Å
34	K	69.2	Low	67.6	Low	72 Å²	72	63.6 Å²	63.6	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-54.4	-47.6	178.6	-74.6	178.7	-167.7	-151.7	0	112.9	N30 Q31 I37 G38 C76	N30-K34 VanDerWaalsContact O-CG 3.29Å; N30-K34 WeakPolarHBondContact O-CG 3.21Å; N30-K34 PolarHBondContact O-N 2.96Å; Q31-K34 WeakPolarHBondContact O-CB 3.13Å; Q31-K34 PolarHBondContact O-N 3.23Å; Q31-K34 VanDerWaalsContact O-N 3.13Å; K34-I37 PolarHBondContact O-N 3.29Å; K34-G38 PolarHBondContact O-N 3.02Å; K34-C76 HydrophobicContact CD-CB 4.47Å
35	E	71.1	Confident	68.6	Low	107 Å²	107	60.8 Å²	60.8	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-43.1	-178.1	-73.4	172.9	-158.6	0	0	112.4	Q31 K33 I37 G38 L39	Q31-E35 WeakPolarHBondContact CG-OE1 3.32Å; Q31-E35 PolarHBondContact NE2-OE1 2.94Å; Q31-E35 PolarHBondContact O-N 3.22Å; K33-E35 PolarHBondContact O-N 3.2Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.02Å; E35-G38 PolarHBondContact O-N 3.43Å; E35-L39 WeakPolarHBondContact O-CB 3.4Å; E35-L39 WeakPolarHBondContact O-CG 3.49Å; E35-L39 PolarHBondContact O-N 3.49Å
36	C	70.2	Confident	69.6	Low	11 Å²	11	59 Å²	59	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-35.3	176.4	-72.5	0	0	0	0	112.4	V20 F23 V32 K33 L40	V20-C36 HydrophobicContact CG2-CB 4.25Å; F23-C36 HydrophobicContact CE2-CB 3.57Å; F23-C36 HydrophobicContact CZ-CB 3.65Å; V32-C36 WeakPolarHBondContact O-CB 3.41Å; V32-C36 PolarHBondContact O-N 3.33Å; V32-C36 VanDerWaalsContact O-N 3.08Å; V32-C36 PolarHBondContact O-SG 2.86Å; V32-C36 VanDerWaalsContact O-SG 3.35Å; K33-C36 PolarHBondContact O-N 2.85Å; C36-L40 WeakPolarHBondContact O-CB 3.3Å; C36-L40 PolarHBondContact O-N 3.5Å
37	I	73.7	Confident	70.5	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-48.2	172.9	-68.1	157.7	0	0	0	110.6	V20 K33 K34 E35 L39 L40 V41 T69 F77	V20-I37 HydrophobicContact CG1-CG1 3.74Å; V20-I37 HydrophobicContact CG2-CG1 4.47Å; K33-I37 HydrophobicContact CB-CD1 4.44Å; K33-I37 WeakPolarHBondContact O-CB 3.43Å; K33-I37 VanDerWaalsContact O-CD1 3.27Å; K33-I37 WeakPolarHBondContact O-CD1 3.4Å; K33-I37 WeakPolarHBondContact O-CG1 3.32Å; K33-I37 PolarHBondContact O-N 3.42Å; K34-I37 PolarHBondContact O-N 3.29Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.02Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 2.67Å; I37-L40 WeakPolarHBondContact O-CB 3.48Å; I37-L40 PolarHBondContact O-N 2.93Å; I37-L40 VanDerWaalsContact O-N 3.08Å; I37-V41 HydrophobicContact CG2-CG2 4.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 3.31Å; I37-T69 HydrophobicContact CB-CG2 4.36Å; I37-T69 HydrophobicContact CD1-CG2 3.44Å; I37-T69 VanDerWaalsContact CD1-CG2 3.44Å; I37-T69 HydrophobicContact CG1-CG2 3.82Å; I37-T69 HydrophobicContact CG2-CG2 3.64Å; I37-F77 HydrophobicContact CB-CE1 4.29Å; I37-F77 HydrophobicContact CB-CZ 4.49Å; I37-F77 HydrophobicContact CD1-CE1 4.42Å; I37-F77 HydrophobicContact CD1-CZ 4.24Å; I37-F77 HydrophobicContact CG2-CE1 3.67Å; I37-F77 HydrophobicContact CG2-CE2 4.49Å; I37-F77 HydrophobicContact CG2-CZ 3.62Å
38	G	75.5	Confident	71.4	Confident	10 Å²	10	49.6 Å²	49.6	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-41.7	176.9	0	0	0	0	0	112.1	K34 E35 V41 C42	K34-G38 PolarHBondContact O-N 3.02Å; E35-G38 PolarHBondContact O-N 3.43Å; G38-V41 PolarHBondContact O-N 2.95Å; G38-C42 VanDerWaalsContact O-CB 3.3Å; G38-C42 WeakPolarHBondContact O-CB 3.27Å; G38-C42 PolarHBondContact O-N 3.42Å; G38-C42 PolarHBondContact O-SG 3.32Å
39	L	78.3	Confident	72	Confident	92 Å²	92	54.4 Å²	54.4	48%	0.482	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-39.8	172.5	-80.3	163.7	0	0	0	113	E35 I37 K43	E35-L39 WeakPolarHBondContact O-CB 3.4Å; E35-L39 WeakPolarHBondContact O-CG 3.49Å; E35-L39 PolarHBondContact O-N 3.49Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 2.67Å; L39-K43 WeakPolarHBondContact O-CB 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.39Å; L39-K43 PolarHBondContact O-N 3.5Å; L39-K43 VanDerWaalsContact O-N 3.11Å
40	L	79.7	Confident	72.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-52	175.1	176.8	63	0	0	0	110.6	V13 L16 I17 V20 C36 I37 C42 K43 V44 L62 L66	V13-L40 HydrophobicContact CG1-CD1 4.27Å; L16-L40 HydrophobicContact CB-CB 4.35Å; L16-L40 HydrophobicContact CB-CD1 3.76Å; I17-L40 HydrophobicContact CG1-CD1 4Å; V20-L40 HydrophobicContact CB-CD2 4.22Å; V20-L40 HydrophobicContact CG2-CB 4.38Å; V20-L40 HydrophobicContact CG2-CD2 3.98Å; C36-L40 WeakPolarHBondContact O-CB 3.3Å; C36-L40 PolarHBondContact O-N 3.5Å; I37-L40 WeakPolarHBondContact O-CB 3.48Å; I37-L40 PolarHBondContact O-N 2.93Å; I37-L40 VanDerWaalsContact O-N 3.08Å; L40-C42 PolarHBondContact O-N 3.15Å; L40-K43 PolarHBondContact O-N 3.43Å; L40-V44 HydrophobicContact CD1-CG2 3.82Å; L40-V44 HydrophobicContact CG-CG2 4.36Å; L40-V44 WeakPolarHBondContact O-CB 3.45Å; L40-V44 WeakPolarHBondContact O-CG2 3.34Å; L40-V44 PolarHBondContact O-N 2.88Å; L40-L62 HydrophobicContact CD1-CD1 4.04Å; L40-L62 HydrophobicContact CD2-CD1 4.06Å; L40-L62 HydrophobicContact CG-CD1 4.21Å; L40-L66 HydrophobicContact CD2-CD2 4.2Å
41	V	80.2	Confident	73	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-50.4	179.7	172.7	0	0	0	0	111	I37 G38 K43 V44 D45 L66 I81 M84 T85 I88	I37-V41 HydrophobicContact CG2-CG2 4.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 3.31Å; G38-V41 PolarHBondContact O-N 2.95Å; V41-K43 PolarHBondContact O-N 3.3Å; V41-V44 PolarHBondContact O-N 3.44Å; V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.27Å; V41-L66 HydrophobicContact CG2-CD2 3.94Å; V41-I81 HydrophobicContact CB-CG2 4.38Å; V41-I81 HydrophobicContact CG1-CG2 4.18Å; V41-I81 HydrophobicContact CG2-CG2 4.36Å; V41-M84 HydrophobicContact CG1-CB 3.55Å; V41-T85 HydrophobicContact CG2-CG2 4.48Å; V41-T85 VanDerWaalsContact CG2-OG1 3.32Å; V41-T85 WeakPolarHBondContact CG2-OG1 3.31Å; V41-I88 HydrophobicContact CG1-CD1 4.05Å
42	C	78.3	Confident	73.4	Confident	64 Å²	64	48 Å²	48	43%	0.432	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-36.4	179.7	-71.2	0	0	0	0	113.4	G38 L40 H46	G38-C42 VanDerWaalsContact O-CB 3.3Å; G38-C42 WeakPolarHBondContact O-CB 3.27Å; G38-C42 PolarHBondContact O-N 3.42Å; G38-C42 PolarHBondContact O-SG 3.32Å; L40-C42 PolarHBondContact O-N 3.15Å; C42-H46 VanDerWaalsContact O-CB 3.29Å; C42-H46 WeakPolarHBondContact O-CB 3.34Å; C42-H46 PolarHBondContact O-N 2.85Å
43	K	78.5	Confident	74	Confident	56 Å²	56	49.2 Å²	49.2	24%	0.243	26%	0.256	C	S	.	.	H	α-helix	trans	-75.8	-33.4	176.6	-73.7	-167.9	-163.2	-179.1	0	113.2	Q12 V13 L16 L39 L40 V41 H46 L47	Q12-K43 HydrophobicContact CB-CD 4.44Å; V13-K43 HydrophobicContact CG2-CB 3.77Å; L16-K43 HydrophobicContact CD1-CD 3.73Å; L39-K43 WeakPolarHBondContact O-CB 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.39Å; L39-K43 PolarHBondContact O-N 3.5Å; L39-K43 VanDerWaalsContact O-N 3.11Å; L40-K43 PolarHBondContact O-N 3.43Å; V41-K43 PolarHBondContact O-N 3.3Å; K43-H46 PolarHBondContact O-N 3.33Å; K43-L47 PolarHBondContact O-N 3.18Å
44	V	78.9	Confident	74.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-70.6	-44	176.3	173	0	0	0	0	110.1	V13 L40 V41 H46 L47 S48 I51 L62 I88	V13-V44 HydrophobicContact CG1-CG2 3.67Å; V13-V44 HydrophobicContact CG2-CG2 4.07Å; L40-V44 HydrophobicContact CD1-CG2 3.82Å; L40-V44 HydrophobicContact CG-CG2 4.36Å; L40-V44 WeakPolarHBondContact O-CB 3.45Å; L40-V44 WeakPolarHBondContact O-CG2 3.34Å; L40-V44 PolarHBondContact O-N 2.88Å; V41-V44 PolarHBondContact O-N 3.44Å; V44-H46 VanDerWaalsContact C-N 3.29Å; V44-H46 PolarHBondContact O-N 3.47Å; V44-L47 WeakPolarHBondContact O-CB 3.5Å; V44-L47 PolarHBondContact O-N 2.93Å; V44-S48 PolarHBondContact O-N 2.98Å; V44-I51 HydrophobicContact CG1-CD1 3.45Å; V44-I51 VanDerWaalsContact CG1-CD1 3.45Å; V44-I51 HydrophobicContact CG1-CG1 3.92Å; V44-L62 HydrophobicContact CG1-CD2 3.97Å; V44-L62 HydrophobicContact CG2-CD1 4.05Å; V44-L62 HydrophobicContact CG2-CD2 4.1Å; V44-I88 HydrophobicContact CB-CD1 3.95Å; V44-I88 HydrophobicContact CG1-CB 4.36Å; V44-I88 HydrophobicContact CG1-CD1 3.72Å; V44-I88 HydrophobicContact CG1-CG1 3.9Å; V44-I88 HydrophobicContact CG1-CG2 3.5Å
45	D	78.6	Confident	74.7	Confident	40 Å²	40	48.1 Å²	48.1	21%	0.214	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-37.2	172.3	-170.6	58.6	0	0	0	111.6	V41 L47 S48 K87 I88	V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.27Å; D45-L47 PolarHBondContact O-N 3.01Å; D45-S48 PolarHBondContact O-N 3.14Å; D45-K87 IonicContact OD1-NZ 3.13Å; D45-K87 PolarHBondContact OD1-NZ 2.8Å; D45-I88 HydrophobicContact CB-CD1 4.18Å
46	H	76.7	Confident	74.9	Confident	129 Å²	129	48.6 Å²	48.6	60%	0.597	26%	0.261	S	S	*	.	H	α-helix	trans	-67.1	-31.5	174.9	-171.8	59.5	0	0	0	114.1	Q9 C42 K43 V44 S48	Q9-H46 PolarHBondContact NE2-CD2 2.84Å; Q9-H46 VanDerWaalsContact NE2-CD2 3.34Å; Q9-H46 PolarHBondContact NE2-NE2 3.44Å; Q9-H46 VanDerWaalsContact NE2-NE2 3.17Å; Q9-H46 PolarHBondContact OE1-CD2 3.08Å; Q9-H46 VanDerWaalsContact OE1-CD2 3.25Å; C42-H46 VanDerWaalsContact O-CB 3.29Å; C42-H46 WeakPolarHBondContact O-CB 3.34Å; C42-H46 PolarHBondContact O-N 2.85Å; K43-H46 PolarHBondContact O-N 3.33Å; V44-H46 VanDerWaalsContact C-N 3.29Å; V44-H46 PolarHBondContact O-N 3.47Å; H46-S48 VanDerWaalsContact C-N 3.26Å
47	L	70.6	Confident	75.3	Confident	3 Å²	3	53 Å²	53	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-27.6	169.8	-77.7	176.1	0	0	0	111.9	Q9 I10 V13 K43 V44 D45 D49 Q50 I51	Q9-L47 HydrophobicContact CB-CD2 3.69Å; Q9-L47 HydrophobicContact CB-CG 4.42Å; I10-L47 HydrophobicContact CG1-CD1 4.31Å; I10-L47 HydrophobicContact CG1-CD2 4.06Å; V13-L47 HydrophobicContact CB-CD1 4.16Å; V13-L47 HydrophobicContact CG1-CD1 4.48Å; V13-L47 HydrophobicContact CG2-CD1 3.73Å; K43-L47 PolarHBondContact O-N 3.18Å; V44-L47 WeakPolarHBondContact O-CB 3.5Å; V44-L47 PolarHBondContact O-N 2.93Å; D45-L47 PolarHBondContact O-N 3.01Å; L47-D49 PolarHBondContact O-N 2.66Å; L47-Q50 HydrophobicContact CB-CB 4.32Å; L47-Q50 HydrophobicContact CD2-CB 4.18Å; L47-Q50 WeakPolarHBondContact O-CA 3.27Å; L47-Q50 WeakPolarHBondContact O-CB 3.46Å; L47-Q50 WeakPolarHBondContact O-CG 3.31Å; L47-Q50 PolarHBondContact O-N 3.31Å; L47-I51 HydrophobicContact CB-CG1 4.16Å
48	S	72.1	Confident	75.6	Confident	58 Å²	58	54.8 Å²	54.8	41%	0.406	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	48.6	-129.2	-179.4	-166.1	0	0	0	0	110.8	V44 D45 H46 Q50 I51	V44-S48 PolarHBondContact O-N 2.98Å; D45-S48 PolarHBondContact O-N 3.14Å; H46-S48 VanDerWaalsContact C-N 3.26Å; S48-Q50 PolarHBondContact O-N 3.38Å; S48-I51 WeakPolarHBondContact O-CB 3.34Å; S48-I51 VanDerWaalsContact O-CD1 3.3Å; S48-I51 WeakPolarHBondContact O-CD1 3.34Å; S48-I51 WeakPolarHBondContact O-CG1 3.33Å; S48-I51 PolarHBondContact O-N 2.78Å
49	D	69.2	Low	75.9	Confident	135 Å²	135	56 Å²	56	72%	0.722	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22.2	177.6	-65.7	-7.7	0	0	0	114.5	L47 I51 I52	L47-D49 PolarHBondContact O-N 2.66Å; D49-I51 PolarHBondContact O-N 2.65Å; D49-I51 VanDerWaalsContact O-N 3.13Å; D49-I52 VanDerWaalsContact O-CG2 3.27Å; D49-I52 WeakPolarHBondContact O-CG2 3.5Å; D49-I52 PolarHBondContact O-N 3.5Å; D49-I52 VanDerWaalsContact O-N 3.15Å
50	Q	70.3	Confident	76	Confident	57 Å²	57	54.5 Å²	54.5	27%	0.266	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.6	-10.4	176.7	-57.5	-159.3	59.3	0	0	113.5	D6 L47 S48 I52 L53	D6-Q50 VanDerWaalsContact CG-OE1 3.28Å; D6-Q50 PolarHBondContact OD1-NE2 3.45Å; L47-Q50 HydrophobicContact CB-CB 4.32Å; L47-Q50 HydrophobicContact CD2-CB 4.18Å; L47-Q50 WeakPolarHBondContact O-CA 3.27Å; L47-Q50 WeakPolarHBondContact O-CB 3.46Å; L47-Q50 WeakPolarHBondContact O-CG 3.31Å; L47-Q50 PolarHBondContact O-N 3.31Å; S48-Q50 PolarHBondContact O-N 3.38Å; Q50-I52 PolarHBondContact O-N 3.39Å; Q50-I52 VanDerWaalsContact O-N 3.09Å; Q50-L53 HydrophobicContact CB-CD1 4.17Å; Q50-L53 VanDerWaalsContact O-CB 3.29Å; Q50-L53 WeakPolarHBondContact O-CB 3.4Å; Q50-L53 PolarHBondContact O-N 3.12Å
51	I	71.1	Confident	76.2	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.036	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-51.3	-30.6	167.8	-67.2	164.4	0	0	0	111.1	V44 L47 S48 D49 L53 L54 R59 T92	V44-I51 HydrophobicContact CG1-CD1 3.45Å; V44-I51 VanDerWaalsContact CG1-CD1 3.45Å; V44-I51 HydrophobicContact CG1-CG1 3.92Å; L47-I51 HydrophobicContact CB-CG1 4.16Å; S48-I51 WeakPolarHBondContact O-CB 3.34Å; S48-I51 VanDerWaalsContact O-CD1 3.3Å; S48-I51 WeakPolarHBondContact O-CD1 3.34Å; S48-I51 WeakPolarHBondContact O-CG1 3.33Å; S48-I51 PolarHBondContact O-N 2.78Å; D49-I51 PolarHBondContact O-N 2.65Å; D49-I51 VanDerWaalsContact O-N 3.13Å; I51-L53 PolarHBondContact O-N 3.03Å; I51-L53 VanDerWaalsContact O-N 3.13Å; I51-L54 WeakPolarHBondContact O-CB 3.04Å; I51-L54 PolarHBondContact O-N 3.41Å; I51-R59 HydrophobicContact CG2-CG 4.29Å; I51-R59 WeakPolarHBondContact O-CD 3.35Å; I51-T92 HydrophobicContact CG2-CG2 4.4Å
52	I	69.8	Low	76.3	Confident	84 Å²	84	59.2 Å²	59.2	43%	0.431	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23	176.9	-154.2	174.9	0	0	0	113.7	D49 Q50 L54 L95	D49-I52 VanDerWaalsContact O-CG2 3.27Å; D49-I52 WeakPolarHBondContact O-CG2 3.5Å; D49-I52 PolarHBondContact O-N 3.5Å; D49-I52 VanDerWaalsContact O-N 3.15Å; Q50-I52 PolarHBondContact O-N 3.39Å; Q50-I52 VanDerWaalsContact O-N 3.09Å; I52-L54 VanDerWaalsContact C-N 3.32Å; I52-L95 HydrophobicContact CB-CD1 4.29Å; I52-L95 HydrophobicContact CD1-CD2 3.85Å; I52-L95 HydrophobicContact CG1-CD1 4.44Å; I52-L95 HydrophobicContact CG1-CD2 4.26Å
53	L	72.7	Confident	76.5	Confident	76 Å²	76	56.9 Å²	56.9	40%	0.398	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-77.3	-15	178.1	-59.2	174.9	0	0	0	113.1	I2 I10 Q50 I51	I2-L53 HydrophobicContact CD1-CD1 3.96Å; I2-L53 HydrophobicContact CD1-CD2 4.26Å; I2-L53 HydrophobicContact CG1-CD1 4.03Å; I10-L53 HydrophobicContact CD1-CB 3.82Å; I10-L53 HydrophobicContact CD1-CD1 3.87Å; Q50-L53 HydrophobicContact CB-CD1 4.17Å; Q50-L53 VanDerWaalsContact O-CB 3.29Å; Q50-L53 WeakPolarHBondContact O-CB 3.4Å; Q50-L53 PolarHBondContact O-N 3.12Å; I51-L53 PolarHBondContact O-N 3.03Å; I51-L53 VanDerWaalsContact O-N 3.13Å
54	L	73.6	Confident	76.7	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	31%	0.307	C	S	.	.	S	Bend	trans	-70.1	135.7	170.5	-75.3	162.7	0	0	0	110	I10 V13 I51 I52 R58 R59 L62	I10-L54 HydrophobicContact CG2-CD2 3.8Å; I10-L54 HydrophobicContact CG2-CG 4.36Å; V13-L54 HydrophobicContact CG1-CD1 3.96Å; I51-L54 WeakPolarHBondContact O-CB 3.04Å; I51-L54 PolarHBondContact O-N 3.41Å; I52-L54 VanDerWaalsContact C-N 3.32Å; L54-R58 HydrophobicContact CD2-CB 4.44Å; L54-R59 HydrophobicContact CB-CG 3.74Å; L54-R59 PolarHBondContact O-NE 3.38Å; L54-L62 HydrophobicContact CD1-CD2 4.46Å
55	P	78.8	Confident	76.9	Confident	75 Å²	75	60 Å²	60	49%	0.487	31%	0.309	S	S	.	.			trans	-51.1	144.2	172.6	-26.7	34.3	0	0	0	111.6	T57 R58 R59	P55-T57 PolarHBondContact O-N 3.13Å; P55-T57 VanDerWaalsContact O-N 3.14Å; P55-R58 HydrophobicContact CB-CB 4.47Å; P55-R58 HydrophobicContact CB-CG 4.23Å; P55-R58 HydrophobicContact CG-CG 4.3Å; P55-R58 CarbonylContact O-C 3.58Å; P55-R58 WeakPolarHBondContact O-CA 3.48Å; P55-R58 WeakPolarHBondContact O-CB 3.22Å; P55-R58 PolarHBondContact O-N 2.7Å; P55-R59 PolarHBondContact O-N 2.87Å
56	E	75.8	Confident	77	Confident	116 Å²	116	58.1 Å²	58.1	54%	0.542	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-34.2	-176.3	-173.6	179.7	176.1	0	0	112.9	R58 R59 T60	E56-R58 VanDerWaalsContact C-N 3.31Å; E56-R58 PolarHBondContact O-N 3.19Å; E56-R59 PolarHBondContact O-N 3.22Å; E56-T60 WeakPolarHBondContact O-CB 2.91Å; E56-T60 PolarHBondContact O-N 3.11Å; E56-T60 PolarHBondContact O-OG1 3.45Å
57	T	79	Confident	77.3	Confident	103 Å²	103	55.7 Å²	55.7	63%	0.632	29%	0.287	S	S	*	.	H	α-helix	trans	-60.7	-38.8	172.6	52.4	0	0	0	0	112.2	P55 K61	P55-T57 PolarHBondContact O-N 3.13Å; P55-T57 VanDerWaalsContact O-N 3.14Å; T57-K61 WeakPolarHBondContact O-CG 3.35Å; T57-K61 PolarHBondContact O-N 3.22Å; T57-K61 VanDerWaalsContact O-N 3.08Å
58	R	80.9	Confident	77.7	Confident	43 Å²	43	58.9 Å²	58.9	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-76	-41.1	176.4	-64	-56.3	-150.4	165.9	13	111.9	D14 D18 L54 P55 E56 T60 K61 L62	D14-R58 VanDerWaalsContact CG-NE 3.3Å; D14-R58 WeakPolarHBondContact OD1-CD 3.39Å; D14-R58 WeakPolarHBondContact OD1-CG 3.37Å; D14-R58 IonicContact OD1-CZ 2.87Å; D14-R58 IonicContact OD1-NE 2.66Å; D14-R58 PolarHBondContact OD1-NE 3.26Å; D14-R58 IonicContact OD1-NH1 2.65Å; D14-R58 IonicContact OD1-NH2 2.64Å; D14-R58 IonicContact OD2-CZ 3.82Å; D14-R58 IonicContact OD2-NE 3.39Å; D14-R58 PolarHBondContact OD2-NE 3.3Å; D14-R58 VanDerWaalsContact OD2-NE 3.12Å; D14-R58 IonicContact OD2-NH2 2.72Å; D14-R58 PolarHBondContact OD2-NH2 3.35Å; D18-R58 IonicContact OD1-CZ 2.72Å; D18-R58 IonicContact OD1-NH1 3.96Å; D18-R58 PolarHBondContact OD1-NH1 2.92Å; D18-R58 IonicContact OD1-NH2 3.2Å; D18-R58 IonicContact OD2-CZ 3.22Å; D18-R58 IonicContact OD2-NH1 3.52Å; D18-R58 PolarHBondContact OD2-NH1 2.97Å; D18-R58 IonicContact OD2-NH2 3.12Å; D18-R58 PolarHBondContact OD2-NH2 3.13Å; L54-R58 HydrophobicContact CD2-CB 4.44Å; P55-R58 HydrophobicContact CB-CB 4.47Å; P55-R58 HydrophobicContact CB-CG 4.23Å; P55-R58 HydrophobicContact CG-CG 4.3Å; P55-R58 CarbonylContact O-C 3.58Å; P55-R58 WeakPolarHBondContact O-CA 3.48Å; P55-R58 WeakPolarHBondContact O-CB 3.22Å; P55-R58 PolarHBondContact O-N 2.7Å; E56-R58 VanDerWaalsContact C-N 3.31Å; E56-R58 PolarHBondContact O-N 3.19Å; R58-T60 VanDerWaalsContact C-N 3.31Å; R58-T60 PolarHBondContact O-N 2.87Å; R58-K61 PolarHBondContact O-N 3.14Å; R58-L62 WeakPolarHBondContact O-CB 3.43Å; R58-L62 PolarHBondContact O-N 3.04Å
59	R	80.4	Confident	77.8	Confident	34 Å²	34	56.8 Å²	56.8	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-40.7	171.4	-74	-170.9	-87.5	153.5	0.1	112.3	I51 L54 P55 E56 L62 I63 T92	I51-R59 HydrophobicContact CG2-CG 4.29Å; I51-R59 WeakPolarHBondContact O-CD 3.35Å; L54-R59 HydrophobicContact CB-CG 3.74Å; L54-R59 PolarHBondContact O-NE 3.38Å; P55-R59 PolarHBondContact O-N 2.87Å; E56-R59 PolarHBondContact O-N 3.22Å; R59-L62 WeakPolarHBondContact O-CB 3.44Å; R59-L62 PolarHBondContact O-N 3.13Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 3.45Å; R59-T92 HydrophobicContact CB-CG2 4.1Å; R59-T92 HydrophobicContact CG-CG2 4.36Å
60	T	81.1	Confident	78.2	Confident	61 Å²	61	51.1 Å²	51.1	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-41.6	177	-56.5	0	0	0	0	111.8	E56 R58 L62 I63 K64	E56-T60 WeakPolarHBondContact O-CB 2.91Å; E56-T60 PolarHBondContact O-N 3.11Å; E56-T60 PolarHBondContact O-OG1 3.45Å; R58-T60 VanDerWaalsContact C-N 3.31Å; R58-T60 PolarHBondContact O-N 2.87Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-I63 PolarHBondContact O-N 3.36Å; T60-K64 WeakPolarHBondContact O-CB 3.25Å; T60-K64 PolarHBondContact O-N 3.03Å
61	K	82.9	Confident	78.7	Confident	99 Å²	99	57.2 Å²	57.2	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-43.9	170.5	-80.8	-175.8	172.3	-169.6	0	111.9	I17 D18 T57 R58 K64 C65	I17-K61 HydrophobicContact CG2-CB 3.9Å; D18-K61 IonicContact OD1-NZ 3.53Å; T57-K61 WeakPolarHBondContact O-CG 3.35Å; T57-K61 PolarHBondContact O-N 3.22Å; T57-K61 VanDerWaalsContact O-N 3.08Å; R58-K61 PolarHBondContact O-N 3.14Å; K61-K64 PolarHBondContact O-N 3.13Å; K61-C65 WeakPolarHBondContact O-CB 3.17Å; K61-C65 PolarHBondContact O-N 2.94Å
62	L	82.7	Confident	78.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-51.4	177.7	175.7	63.4	0	0	0	111.5	I17 L40 V44 L54 R58 R59 T60 K64 C65 L66	I17-L62 HydrophobicContact CD1-CB 3.84Å; I17-L62 HydrophobicContact CD1-CD1 4.17Å; I17-L62 HydrophobicContact CD1-CD2 4.45Å; I17-L62 HydrophobicContact CD1-CG 4.38Å; I17-L62 HydrophobicContact CG1-CB 4.15Å; I17-L62 HydrophobicContact CG1-CD1 3.87Å; L40-L62 HydrophobicContact CD1-CD1 4.04Å; L40-L62 HydrophobicContact CD2-CD1 4.06Å; L40-L62 HydrophobicContact CG-CD1 4.21Å; V44-L62 HydrophobicContact CG1-CD2 3.97Å; V44-L62 HydrophobicContact CG2-CD1 4.05Å; V44-L62 HydrophobicContact CG2-CD2 4.1Å; L54-L62 HydrophobicContact CD1-CD2 4.46Å; R58-L62 WeakPolarHBondContact O-CB 3.43Å; R58-L62 PolarHBondContact O-N 3.04Å; R59-L62 WeakPolarHBondContact O-CB 3.44Å; R59-L62 PolarHBondContact O-N 3.13Å; T60-L62 VanDerWaalsContact C-N 3.35Å; L62-K64 PolarHBondContact O-N 3.23Å; L62-C65 PolarHBondContact O-N 3.1Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CG 4.03Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 WeakPolarHBondContact O-CG 2.73Å; L62-L66 PolarHBondContact O-N 3.36Å
63	I	82.2	Confident	78.9	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-51.3	176.3	-69.1	160.8	0	0	0	110.3	R59 T60 C65 L66 Q67 T92	R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 3.45Å; T60-I63 PolarHBondContact O-N 3.36Å; I63-C65 VanDerWaalsContact C-N 3.34Å; I63-C65 PolarHBondContact O-N 3.28Å; I63-L66 PolarHBondContact O-N 3.09Å; I63-Q67 HydrophobicContact CG2-CG 4.15Å; I63-Q67 WeakPolarHBondContact O-CB 3.49Å; I63-Q67 VanDerWaalsContact O-CG 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.4Å; I63-Q67 PolarHBondContact O-N 3.44Å; I63-T92 HydrophobicContact CD1-CG2 3.51Å; I63-T92 HydrophobicContact CG1-CG2 3.79Å
64	K	84.3	Confident	78.8	Confident	116 Å²	116	57.5 Å²	57.5	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-46.5	-178.6	-176.3	178.6	172.6	-177.7	0	111.4	T60 K61 L62 L66 Q67 E68	T60-K64 WeakPolarHBondContact O-CB 3.25Å; T60-K64 PolarHBondContact O-N 3.03Å; K61-K64 PolarHBondContact O-N 3.13Å; L62-K64 PolarHBondContact O-N 3.23Å; K64-L66 PolarHBondContact O-N 2.92Å; K64-Q67 PolarHBondContact O-N 3.1Å; K64-E68 VanDerWaalsContact CE-CD 3.41Å; K64-E68 WeakPolarHBondContact CE-OE1 3.19Å; K64-E68 HydrophobicContact CG-CG 4.4Å; K64-E68 IonicContact NZ-OE1 3.58Å; K64-E68 WeakPolarHBondContact O-CB 3.45Å; K64-E68 WeakPolarHBondContact O-CG 3.48Å; K64-E68 PolarHBondContact O-N 3.36Å
65	C	81.2	Confident	78.6	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-46.6	177.6	-178.7	0	0	0	0	111.7	V20 K61 L62 I63 T69	V20-C65 WeakPolarHBondContact CG1-SG 2.8Å; K61-C65 WeakPolarHBondContact O-CB 3.17Å; K61-C65 PolarHBondContact O-N 2.94Å; L62-C65 PolarHBondContact O-N 3.1Å; I63-C65 VanDerWaalsContact C-N 3.34Å; I63-C65 PolarHBondContact O-N 3.28Å; C65-T69 WeakPolarHBondContact O-CB 3.48Å; C65-T69 PolarHBondContact O-N 2.95Å; C65-T69 PolarHBondContact O-OG1 3.49Å
66	L	82	Confident	78	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-39.6	176.9	-66.9	178.9	0	0	0	112.2	L40 V41 L62 I63 K64 T69 M70 T85 I88 I89	L40-L66 HydrophobicContact CD2-CD2 4.2Å; V41-L66 HydrophobicContact CG2-CD2 3.94Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CG 4.03Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 WeakPolarHBondContact O-CG 2.73Å; L62-L66 PolarHBondContact O-N 3.36Å; I63-L66 PolarHBondContact O-N 3.09Å; K64-L66 PolarHBondContact O-N 2.92Å; L66-T69 PolarHBondContact O-N 3.48Å; L66-M70 WeakPolarHBondContact O-CB 3.41Å; L66-M70 WeakPolarHBondContact O-CG 3.47Å; L66-M70 PolarHBondContact O-N 2.95Å; L66-T85 HydrophobicContact CB-CG2 4.05Å; L66-T85 HydrophobicContact CD1-CG2 4.37Å; L66-T85 HydrophobicContact CD2-CG2 4.11Å; L66-T85 HydrophobicContact CG-CG2 4.4Å; L66-I88 HydrophobicContact CD1-CB 4.39Å; L66-I88 HydrophobicContact CD1-CG2 3.59Å; L66-I89 HydrophobicContact CB-CD1 4.07Å; L66-I89 HydrophobicContact CB-CG1 4.19Å; L66-I89 HydrophobicContact CD1-CG1 4.46Å
67	Q	82.2	Confident	77.9	Confident	77 Å²	77	61.8 Å²	61.8	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-47.8	176.4	-75.3	176.6	-28.7	0	0	112.5	I63 K64 T69 M70 K71 I89	I63-Q67 HydrophobicContact CG2-CG 4.15Å; I63-Q67 WeakPolarHBondContact O-CB 3.49Å; I63-Q67 VanDerWaalsContact O-CG 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.4Å; I63-Q67 PolarHBondContact O-N 3.44Å; K64-Q67 PolarHBondContact O-N 3.1Å; Q67-T69 VanDerWaalsContact C-N 3.28Å; Q67-T69 PolarHBondContact O-N 3.15Å; Q67-M70 PolarHBondContact O-N 3.38Å; Q67-K71 WeakPolarHBondContact O-CB 3.27Å; Q67-K71 PolarHBondContact O-N 2.85Å; Q67-I89 HydrophobicContact CG-CD1 4.17Å
68	E	79.2	Confident	77.8	Confident	71 Å²	71	61.7 Å²	61.7	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-39.2	175.7	-73.5	173.7	154.5	0	0	111	K64 K71 K72	K64-E68 VanDerWaalsContact CE-CD 3.41Å; K64-E68 WeakPolarHBondContact CE-OE1 3.19Å; K64-E68 HydrophobicContact CG-CG 4.4Å; K64-E68 IonicContact NZ-OE1 3.58Å; K64-E68 WeakPolarHBondContact O-CB 3.45Å; K64-E68 WeakPolarHBondContact O-CG 3.48Å; K64-E68 PolarHBondContact O-N 3.36Å; E68-K71 PolarHBondContact O-N 3.08Å; E68-K72 WeakPolarHBondContact O-CB 3.28Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.12Å
69	T	74.6	Confident	77.5	Confident	14 Å²	14	65.4 Å²	65.4	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.9	-68.6	0	0	0	0	112.5	I37 C65 L66 Q67 K71 K72 H73 F77	I37-T69 HydrophobicContact CB-CG2 4.36Å; I37-T69 HydrophobicContact CD1-CG2 3.44Å; I37-T69 VanDerWaalsContact CD1-CG2 3.44Å; I37-T69 HydrophobicContact CG1-CG2 3.82Å; I37-T69 HydrophobicContact CG2-CG2 3.64Å; C65-T69 WeakPolarHBondContact O-CB 3.48Å; C65-T69 PolarHBondContact O-N 2.95Å; C65-T69 PolarHBondContact O-OG1 3.49Å; L66-T69 PolarHBondContact O-N 3.48Å; Q67-T69 VanDerWaalsContact C-N 3.28Å; Q67-T69 PolarHBondContact O-N 3.15Å; T69-K71 VanDerWaalsContact C-N 3.34Å; T69-K72 PolarHBondContact O-N 3.36Å; T69-H73 WeakPolarHBondContact O-CA 3.39Å; T69-H73 WeakPolarHBondContact O-CB 3.48Å; T69-H73 PolarHBondContact O-N 3.08Å; T69-F77 HydrophobicContact CG2-CE2 3.9Å; T69-F77 HydrophobicContact CG2-CZ 3.47Å; T69-F77 VanDerWaalsContact CG2-CZ 3.47Å
70	M	77.8	Confident	77.5	Confident	15 Å²	15	69.6 Å²	69.6	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-39.4	173.1	-77	-167.2	77.6	0	0	111.8	L66 Q67 G74 H82 T85 M86 I89	L66-M70 WeakPolarHBondContact O-CB 3.41Å; L66-M70 WeakPolarHBondContact O-CG 3.47Å; L66-M70 PolarHBondContact O-N 2.95Å; Q67-M70 PolarHBondContact O-N 3.38Å; M70-G74 WeakPolarHBondContact O-CA 3.46Å; M70-G74 PolarHBondContact O-N 2.97Å; M70-H82 VanDerWaalsContact CE-CE1 3.43Å; M70-H82 WeakPolarHBondContact CE-CE1 3.49Å; M70-H82 WeakPolarHBondContact CE-NE2 3.17Å; M70-T85 HydrophobicContact CG-CG2 3.71Å; M70-T85 HydrophobicContact SD-CG2 3.61Å; M70-M86 HydrophobicContact CE-CE 3.86Å; M70-M86 HydrophobicContact CE-CG 3.69Å; M70-M86 HydrophobicContact CE-SD 3.69Å; M70-M86 HydrophobicContact SD-CG 4.26Å; M70-M86 HydrophobicContact SD-SD 3.99Å; M70-I89 HydrophobicContact SD-CD1 3.66Å
71	K	80.3	Confident	77.2	Confident	185 Å²	185	68.5 Å²	68.5	80%	0.804	33%	0.325	S	S	*	.	H	α-helix	trans	-66.5	-38.1	177.9	-171.2	175.2	-177.5	176.1	0	112.9	Q67 E68 T69	Q67-K71 WeakPolarHBondContact O-CB 3.27Å; Q67-K71 PolarHBondContact O-N 2.85Å; E68-K71 PolarHBondContact O-N 3.08Å; T69-K71 VanDerWaalsContact C-N 3.34Å
72	K	75	Confident	77	Confident	111 Å²	111	66.9 Å²	66.9	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-87.3	-34.7	-178.4	-71	171.2	176.2	172.8	0	113.8	D24 E68 T69	D24-K72 IonicContact OD1-NZ 3.32Å; D24-K72 PolarHBondContact OD1-NZ 3.46Å; D24-K72 IonicContact OD2-NZ 2.72Å; D24-K72 PolarHBondContact OD2-NZ 3.48Å; E68-K72 WeakPolarHBondContact O-CB 3.28Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.12Å; T69-K72 PolarHBondContact O-N 3.36Å
73	H	70.7	Confident	76.9	Confident	50 Å²	50	73.3 Å²	73.3	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-135	8.6	-167.2	-57.4	-57.1	0	0	0	114	T69 Q75 C76 F77	T69-H73 WeakPolarHBondContact O-CA 3.39Å; T69-H73 WeakPolarHBondContact O-CB 3.48Å; T69-H73 PolarHBondContact O-N 3.08Å; H73-Q75 PolarHBondContact O-N 2.97Å; H73-Q75 VanDerWaalsContact O-N 3.12Å; H73-C76 WeakPolarHBondContact O-CA 3.34Å; H73-C76 VanDerWaalsContact O-CB 3.27Å; H73-C76 WeakPolarHBondContact O-CB 3.5Å; H73-C76 PolarHBondContact O-N 3.49Å; H73-F77 HydrophobicContact CB-CZ 3.99Å
74	G	69.9	Low	76.8	Confident	12 Å²	12	74.4 Å²	74.4	12%	0.124	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29	-177.3	0	0	0	0	0	115	M70 C76 H82	M70-G74 WeakPolarHBondContact O-CA 3.46Å; M70-G74 PolarHBondContact O-N 2.97Å; G74-C76 PolarHBondContact O-N 3.39Å; G74-H82 PolarHBondContact O-ND1 3.25Å
75	Q	70.1	Confident	76.6	Confident	198 Å²	198	68.9 Å²	68.9	93%	0.925	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-73.4	-12.3	174.1	-61	-179.7	3.2	0	0	113.7	H73	H73-Q75 PolarHBondContact O-N 2.97Å; H73-Q75 VanDerWaalsContact O-N 3.12Å
76	C	65.7	Low	76.6	Confident	62 Å²	62	71.5 Å²	71.5	42%	0.419	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-100.4	-0.4	-178.3	-86.6	0	0	0	0	113.6	K34 H73 G74	K34-C76 HydrophobicContact CD-CB 4.47Å; H73-C76 WeakPolarHBondContact O-CA 3.34Å; H73-C76 VanDerWaalsContact O-CB 3.27Å; H73-C76 WeakPolarHBondContact O-CB 3.5Å; H73-C76 PolarHBondContact O-N 3.49Å; G74-C76 PolarHBondContact O-N 3.39Å
77	F	73.3	Confident	76.6	Confident	24 Å²	24	76 Å²	76	11%	0.105	36%	0.357	C	S	.	.	S	Bend	trans	-92.1	141.1	175.5	-59.9	-41.3	0	0	0	111	I37 T69 H73 I81	I37-F77 HydrophobicContact CB-CE1 4.29Å; I37-F77 HydrophobicContact CB-CZ 4.49Å; I37-F77 HydrophobicContact CD1-CE1 4.42Å; I37-F77 HydrophobicContact CD1-CZ 4.24Å; I37-F77 HydrophobicContact CG2-CE1 3.67Å; I37-F77 HydrophobicContact CG2-CE2 4.49Å; I37-F77 HydrophobicContact CG2-CZ 3.62Å; T69-F77 HydrophobicContact CG2-CE2 3.9Å; T69-F77 HydrophobicContact CG2-CZ 3.47Å; T69-F77 VanDerWaalsContact CG2-CZ 3.47Å; H73-F77 HydrophobicContact CB-CZ 3.99Å; F77-I81 HydrophobicContact CB-CB 4.17Å; F77-I81 HydrophobicContact CB-CG2 4.11Å; F77-I81 HydrophobicContact CD1-CG2 4.09Å; F77-I81 HydrophobicContact CG-CG2 4Å
78	D	77.1	Confident	76.6	Confident	101 Å²	101	72.5 Å²	72.5	54%	0.54	34%	0.34	S	S	.	.			trans	-56.3	147	160.2	172.3	38.1	0	0	0	109.9	K80 I81 H82	D78-K80 PolarHBondContact O-N 2.67Å; D78-K80 VanDerWaalsContact O-N 3.13Å; D78-K80 WeakPolarHBondContact OD2-CB 3.17Å; D78-I81 PolarHBondContact O-N 3.26Å; D78-H82 PolarHBondContact O-N 2.84Å
79	E	75.9	Confident	76.7	Confident	121 Å²	121	69.7 Å²	69.7	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-56	-32.6	-176.3	-159.2	-158.2	-175.6	0	0	111.6	R83	E79-R83 VanDerWaalsContact CD-NH2 3.26Å; E79-R83 WeakPolarHBondContact O-CB 3.35Å; E79-R83 WeakPolarHBondContact O-CG 3.3Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 PolarHBondContact O-NE 2.84Å; E79-R83 IonicContact OE1-CZ 2.66Å; E79-R83 IonicContact OE1-NH1 2.64Å; E79-R83 PolarHBondContact OE1-NH1 3.14Å; E79-R83 IonicContact OE1-NH2 2.86Å; E79-R83 IonicContact OE2-CZ 3.43Å; E79-R83 IonicContact OE2-NH1 3.17Å; E79-R83 PolarHBondContact OE2-NH1 2.98Å; E79-R83 IonicContact OE2-NH2 2.73Å; E79-R83 PolarHBondContact OE2-NH2 3.02Å
80	K	79.4	Confident	77.1	Confident	121 Å²	121	71.4 Å²	71.4	53%	0.526	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-49.2	173	-171.9	177.7	177.3	177.8	0	112.6	D78 H82 R83 M84	D78-K80 PolarHBondContact O-N 2.67Å; D78-K80 VanDerWaalsContact O-N 3.13Å; D78-K80 WeakPolarHBondContact OD2-CB 3.17Å; K80-H82 VanDerWaalsContact C-N 3.31Å; K80-R83 PolarHBondContact O-N 2.85Å; K80-M84 HydrophobicContact CD-CE 4.5Å; K80-M84 HydrophobicContact CG-CE 4.11Å; K80-M84 HydrophobicContact CG-SD 4.15Å; K80-M84 WeakPolarHBondContact O-CG 3.15Å; K80-M84 PolarHBondContact O-N 3.34Å
81	I	75.9	Confident	77.1	Confident	38 Å²	38	73.3 Å²	73.3	20%	0.195	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-38.4	178.4	-63.4	177.3	0	0	0	109.9	V41 F77 D78 M84 T85	V41-I81 HydrophobicContact CB-CG2 4.38Å; V41-I81 HydrophobicContact CG1-CG2 4.18Å; V41-I81 HydrophobicContact CG2-CG2 4.36Å; F77-I81 HydrophobicContact CB-CB 4.17Å; F77-I81 HydrophobicContact CB-CG2 4.11Å; F77-I81 HydrophobicContact CD1-CG2 4.09Å; F77-I81 HydrophobicContact CG-CG2 4Å; D78-I81 PolarHBondContact O-N 3.26Å; I81-M84 PolarHBondContact O-N 3.29Å; I81-T85 WeakPolarHBondContact O-CB 3.49Å; I81-T85 PolarHBondContact O-N 2.89Å; I81-T85 PolarHBondContact O-OG1 2.92Å
82	H	77.5	Confident	76.8	Confident	65 Å²	65	64.7 Å²	64.7	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.8	-165	108.1	0	0	0	111.7	M70 G74 D78 K80 T85 M86	M70-H82 VanDerWaalsContact CE-CE1 3.43Å; M70-H82 WeakPolarHBondContact CE-CE1 3.49Å; M70-H82 WeakPolarHBondContact CE-NE2 3.17Å; G74-H82 PolarHBondContact O-ND1 3.25Å; D78-H82 PolarHBondContact O-N 2.84Å; K80-H82 VanDerWaalsContact C-N 3.31Å; H82-T85 PolarHBondContact O-N 2.68Å; H82-M86 PolarHBondContact O-N 3.35Å
83	R	81.2	Confident	77	Confident	136 Å²	136	62 Å²	62	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-46.1	175.3	-78	-177.5	-72.1	-121.2	-6.8	112.7	E79 K80 T85 M86 K87	E79-R83 VanDerWaalsContact CD-NH2 3.26Å; E79-R83 WeakPolarHBondContact O-CB 3.35Å; E79-R83 WeakPolarHBondContact O-CG 3.3Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 PolarHBondContact O-NE 2.84Å; E79-R83 IonicContact OE1-CZ 2.66Å; E79-R83 IonicContact OE1-NH1 2.64Å; E79-R83 PolarHBondContact OE1-NH1 3.14Å; E79-R83 IonicContact OE1-NH2 2.86Å; E79-R83 IonicContact OE2-CZ 3.43Å; E79-R83 IonicContact OE2-NH1 3.17Å; E79-R83 PolarHBondContact OE2-NH1 2.98Å; E79-R83 IonicContact OE2-NH2 2.73Å; E79-R83 PolarHBondContact OE2-NH2 3.02Å; K80-R83 PolarHBondContact O-N 2.85Å; R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 2.94Å; R83-M86 PolarHBondContact O-N 3.43Å; R83-K87 WeakPolarHBondContact O-CB 3.37Å; R83-K87 PolarHBondContact O-N 2.8Å
84	M	80.1	Confident	77.3	Confident	39 Å²	39	67.1 Å²	67.1	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176	-74.1	168.7	164.6	0	0	111.6	V41 K80 I81 K87 I88	V41-M84 HydrophobicContact CG1-CB 3.55Å; K80-M84 HydrophobicContact CD-CE 4.5Å; K80-M84 HydrophobicContact CG-CE 4.11Å; K80-M84 HydrophobicContact CG-SD 4.15Å; K80-M84 WeakPolarHBondContact O-CG 3.15Å; K80-M84 PolarHBondContact O-N 3.34Å; I81-M84 PolarHBondContact O-N 3.29Å; M84-K87 PolarHBondContact O-N 3.42Å; M84-I88 WeakPolarHBondContact O-CD1 3.44Å; M84-I88 VanDerWaalsContact O-CG1 3.24Å; M84-I88 WeakPolarHBondContact O-CG1 3.41Å; M84-I88 PolarHBondContact O-N 3.44Å
85	T	79.6	Confident	77.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-45	179.4	-51.3	0	0	0	0	111.7	V41 L66 M70 I81 H82 R83 I88 I89	V41-T85 HydrophobicContact CG2-CG2 4.48Å; V41-T85 VanDerWaalsContact CG2-OG1 3.32Å; V41-T85 WeakPolarHBondContact CG2-OG1 3.31Å; L66-T85 HydrophobicContact CB-CG2 4.05Å; L66-T85 HydrophobicContact CD1-CG2 4.37Å; L66-T85 HydrophobicContact CD2-CG2 4.11Å; L66-T85 HydrophobicContact CG-CG2 4.4Å; M70-T85 HydrophobicContact CG-CG2 3.71Å; M70-T85 HydrophobicContact SD-CG2 3.61Å; I81-T85 WeakPolarHBondContact O-CB 3.49Å; I81-T85 PolarHBondContact O-N 2.89Å; I81-T85 PolarHBondContact O-OG1 2.92Å; H82-T85 PolarHBondContact O-N 2.68Å; R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 2.94Å; T85-I88 PolarHBondContact O-N 2.93Å; T85-I89 HydrophobicContact CG2-CD1 4.06Å; T85-I89 VanDerWaalsContact O-CG1 3.31Å; T85-I89 WeakPolarHBondContact O-CG1 3.19Å; T85-I89 PolarHBondContact O-N 3.34Å
86	M	80.5	Confident	77.2	Confident	60 Å²	60	62.8 Å²	62.8	30%	0.296	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-42.1	175.8	-79.7	-65.3	-143.1	0	0	112.5	M70 H82 R83 I89 D90 L119	M70-M86 HydrophobicContact CE-CE 3.86Å; M70-M86 HydrophobicContact CE-CG 3.69Å; M70-M86 HydrophobicContact CE-SD 3.69Å; M70-M86 HydrophobicContact SD-CG 4.26Å; M70-M86 HydrophobicContact SD-SD 3.99Å; H82-M86 PolarHBondContact O-N 3.35Å; R83-M86 PolarHBondContact O-N 3.43Å; M86-I89 PolarHBondContact O-N 2.87Å; M86-D90 PolarHBondContact O-N 3.29Å; M86-L119 HydrophobicContact CE-CB 4.22Å
87	K	83.1	Confident	77.1	Confident	96 Å²	96	63 Å²	63	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-51.1	175.6	-177.2	-166.5	163.5	-152.9	0	111.1	D45 R83 M84 I89 D90 D91	D45-K87 IonicContact OD1-NZ 3.13Å; D45-K87 PolarHBondContact OD1-NZ 2.8Å; R83-K87 WeakPolarHBondContact O-CB 3.37Å; R83-K87 PolarHBondContact O-N 2.8Å; M84-K87 PolarHBondContact O-N 3.42Å; K87-I89 VanDerWaalsContact C-N 3.28Å; K87-I89 PolarHBondContact O-N 3.2Å; K87-D90 PolarHBondContact O-N 3.35Å; K87-D90 VanDerWaalsContact O-N 3.14Å; K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 WeakPolarHBondContact CG-OD2 3.45Å; K87-D91 WeakPolarHBondContact O-CB 3.37Å; K87-D91 PolarHBondContact O-N 3.47Å
88	I	81.2	Confident	76.3	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-56.2	-41.7	177.2	-69.3	161.9	0	0	0	111.7	V41 V44 D45 L66 M84 T85 T92	V41-I88 HydrophobicContact CG1-CD1 4.05Å; V44-I88 HydrophobicContact CB-CD1 3.95Å; V44-I88 HydrophobicContact CG1-CB 4.36Å; V44-I88 HydrophobicContact CG1-CD1 3.72Å; V44-I88 HydrophobicContact CG1-CG1 3.9Å; V44-I88 HydrophobicContact CG1-CG2 3.5Å; D45-I88 HydrophobicContact CB-CD1 4.18Å; L66-I88 HydrophobicContact CD1-CB 4.39Å; L66-I88 HydrophobicContact CD1-CG2 3.59Å; M84-I88 WeakPolarHBondContact O-CD1 3.44Å; M84-I88 VanDerWaalsContact O-CG1 3.24Å; M84-I88 WeakPolarHBondContact O-CG1 3.41Å; M84-I88 PolarHBondContact O-N 3.44Å; T85-I88 PolarHBondContact O-N 2.93Å; I88-T92 WeakPolarHBondContact O-CB 3.36Å; I88-T92 PolarHBondContact O-N 2.9Å; I88-T92 PolarHBondContact O-OG1 2.99Å
89	I	82.6	Confident	75.1	Confident	13 Å²	13	64.5 Å²	64.5	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-47.2	177.6	-69.9	167.7	0	0	0	110.5	L66 Q67 M70 T85 M86 K87 T92 L93	L66-I89 HydrophobicContact CB-CD1 4.07Å; L66-I89 HydrophobicContact CB-CG1 4.19Å; L66-I89 HydrophobicContact CD1-CG1 4.46Å; Q67-I89 HydrophobicContact CG-CD1 4.17Å; M70-I89 HydrophobicContact SD-CD1 3.66Å; T85-I89 HydrophobicContact CG2-CD1 4.06Å; T85-I89 VanDerWaalsContact O-CG1 3.31Å; T85-I89 WeakPolarHBondContact O-CG1 3.19Å; T85-I89 PolarHBondContact O-N 3.34Å; M86-I89 PolarHBondContact O-N 2.87Å; K87-I89 VanDerWaalsContact C-N 3.28Å; K87-I89 PolarHBondContact O-N 3.2Å; I89-T92 PolarHBondContact O-N 3.37Å; I89-L93 HydrophobicContact CG2-CD1 3.77Å; I89-L93 HydrophobicContact CG2-CG 4.39Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 WeakPolarHBondContact O-CG 3.24Å; I89-L93 PolarHBondContact O-N 2.9Å
90	D	81.8	Confident	73.8	Confident	50 Å²	50	63.3 Å²	63.3	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178.9	-163.1	45.5	0	0	0	111.7	M86 K87 T92 L93 R94	M86-D90 PolarHBondContact O-N 3.29Å; K87-D90 PolarHBondContact O-N 3.35Å; K87-D90 VanDerWaalsContact O-N 3.14Å; D90-T92 PolarHBondContact O-N 2.92Å; D90-L93 PolarHBondContact O-N 2.83Å; D90-R94 WeakPolarHBondContact O-CB 3.32Å; D90-R94 VanDerWaalsContact O-CG 3.27Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 2.83Å; D90-R94 IonicContact OD1-NE 2.65Å; D90-R94 IonicContact OD2-CZ 2.7Å; D90-R94 IonicContact OD2-NE 2.66Å; D90-R94 PolarHBondContact OD2-NE 2.92Å; D90-R94 IonicContact OD2-NH2 2.7Å; D90-R94 PolarHBondContact OD2-NH2 2.66Å
91	D	77.6	Confident	72	Confident	55 Å²	55	62.6 Å²	62.6	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-44.5	178.2	-68.7	-21.3	0	0	0	111.4	K87 L93 R94 L95	K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 WeakPolarHBondContact CG-OD2 3.45Å; K87-D91 WeakPolarHBondContact O-CB 3.37Å; K87-D91 PolarHBondContact O-N 3.47Å; D91-L93 PolarHBondContact O-N 3.33Å; D91-R94 PolarHBondContact O-N 3.11Å; D91-L95 WeakPolarHBondContact O-CB 3.44Å; D91-L95 WeakPolarHBondContact O-CG 3.27Å; D91-L95 PolarHBondContact O-N 2.78Å
92	T	75.5	Confident	70.3	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-30.4	178.9	-42.2	0	0	0	0	112.2	I51 R59 I63 I88 I89 D90 K96	I51-T92 HydrophobicContact CG2-CG2 4.4Å; R59-T92 HydrophobicContact CB-CG2 4.1Å; R59-T92 HydrophobicContact CG-CG2 4.36Å; I63-T92 HydrophobicContact CD1-CG2 3.51Å; I63-T92 HydrophobicContact CG1-CG2 3.79Å; I88-T92 WeakPolarHBondContact O-CB 3.36Å; I88-T92 PolarHBondContact O-N 2.9Å; I88-T92 PolarHBondContact O-OG1 2.99Å; I89-T92 PolarHBondContact O-N 3.37Å; D90-T92 PolarHBondContact O-N 2.92Å; T92-K96 PolarHBondContact O-N 2.86Å
93	L	77.8	Confident	68.2	Low	55 Å²	55	68 Å²	68	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-71	-40.9	172.3	-74.9	172.5	0	0	0	112	I89 D90 D91 L95 K96 A97	I89-L93 HydrophobicContact CG2-CD1 3.77Å; I89-L93 HydrophobicContact CG2-CG 4.39Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 WeakPolarHBondContact O-CG 3.24Å; I89-L93 PolarHBondContact O-N 2.9Å; D90-L93 PolarHBondContact O-N 2.83Å; D91-L93 PolarHBondContact O-N 3.33Å; L93-L95 VanDerWaalsContact C-N 3.35Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-K96 WeakPolarHBondContact O-CA 3.2Å; L93-K96 WeakPolarHBondContact O-CB 3.48Å; L93-K96 PolarHBondContact O-N 2.88Å; L93-A97 PolarHBondContact O-N 3.06Å
94	R	77	Confident	65.8	Low	157 Å²	157	68 Å²	68	59%	0.592	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-44.4	172.5	-72.7	171.8	-171.6	-146.3	10.1	111.3	D90 D91 K96 A97 S98	D90-R94 WeakPolarHBondContact O-CB 3.32Å; D90-R94 VanDerWaalsContact O-CG 3.27Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 2.83Å; D90-R94 IonicContact OD1-NE 2.65Å; D90-R94 IonicContact OD2-CZ 2.7Å; D90-R94 IonicContact OD2-NE 2.66Å; D90-R94 PolarHBondContact OD2-NE 2.92Å; D90-R94 IonicContact OD2-NH2 2.7Å; D90-R94 PolarHBondContact OD2-NH2 2.66Å; D91-R94 PolarHBondContact O-N 3.11Å; R94-K96 PolarHBondContact O-N 3.3Å; R94-A97 PolarHBondContact O-N 2.73Å; R94-S98 PolarHBondContact O-N 2.99Å; R94-S98 PolarHBondContact O-OG 2.93Å
95	L	69.7	Low	63.5	Low	43 Å²	43	70.5 Å²	70.5	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-62.5	-20.7	173.2	-74	176.2	0	0	0	113.8	I52 D91 L93 S98 N99	I52-L95 HydrophobicContact CB-CD1 4.29Å; I52-L95 HydrophobicContact CD1-CD2 3.85Å; I52-L95 HydrophobicContact CG1-CD1 4.44Å; I52-L95 HydrophobicContact CG1-CD2 4.26Å; D91-L95 WeakPolarHBondContact O-CB 3.44Å; D91-L95 WeakPolarHBondContact O-CG 3.27Å; D91-L95 PolarHBondContact O-N 2.78Å; L93-L95 VanDerWaalsContact C-N 3.35Å; L93-L95 PolarHBondContact O-N 3.43Å; L95-S98 PolarHBondContact O-OG 3.07Å; L95-N99 PolarHBondContact O-ND2 2.86Å
96	K	68.2	Low	61.3	Low	77 Å²	77	79.8 Å²	79.8	34%	0.335	45%	0.449	S	S	.	.	H	α-helix	trans	-81.4	-48.8	171.5	-159	171.5	-173.4	176.2	0	110.4	T92 L93 R94 S98 N99 T100	T92-K96 PolarHBondContact O-N 2.86Å; L93-K96 WeakPolarHBondContact O-CA 3.2Å; L93-K96 WeakPolarHBondContact O-CB 3.48Å; L93-K96 PolarHBondContact O-N 2.88Å; R94-K96 PolarHBondContact O-N 3.3Å; K96-S98 VanDerWaalsContact C-N 3.3Å; K96-S98 PolarHBondContact O-N 2.65Å; K96-N99 PolarHBondContact O-N 3.47Å; K96-N99 VanDerWaalsContact O-N 3.13Å; K96-T100 PolarHBondContact O-N 3.43Å; K96-T100 PolarHBondContact O-OG1 3.15Å
97	A	63.9	Low	58.8	Low	66 Å²	66	81.9 Å²	81.9	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-36.3	179	0	0	0	0	0	113.6	L93 R94 N99 T100	L93-A97 PolarHBondContact O-N 3.06Å; R94-A97 PolarHBondContact O-N 2.73Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 2.64Å; A97-T100 PolarHBondContact O-N 3.13Å
98	S	57.8	Low	56.4	Low	68 Å²	68	82 Å²	82	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-70.3	-19.5	178.4	63.7	0	0	0	0	114.5	R94 L95 K96 S101	R94-S98 PolarHBondContact O-N 2.99Å; R94-S98 PolarHBondContact O-OG 2.93Å; L95-S98 PolarHBondContact O-OG 3.07Å; K96-S98 VanDerWaalsContact C-N 3.3Å; K96-S98 PolarHBondContact O-N 2.65Å; S98-S101 PolarHBondContact O-OG 2.9Å
99	N	51.7	Low	54.2	Low	88 Å²	88	88 Å²	88	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-89.7	-35.3	176.4	-71.8	-43.4	0	0	0	111.7	L95 K96 A97 S101 S102	L95-N99 PolarHBondContact O-ND2 2.86Å; K96-N99 PolarHBondContact O-N 3.47Å; K96-N99 VanDerWaalsContact O-N 3.13Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 2.64Å; N99-S101 VanDerWaalsContact C-N 3.3Å; N99-S101 PolarHBondContact O-N 3.22Å; N99-S102 PolarHBondContact O-N 3.24Å; N99-S102 PolarHBondContact O-OG 3.1Å
100	T	47.7	Very low	51.8	Low	97 Å²	97	93.6 Å²	93.6	60%	0.595	55%	0.55	S	S	*	.	H	α-helix	trans	-70.9	-20.9	-177.2	-32.1	0	0	0	0	113.7	K96 A97 S102	K96-T100 PolarHBondContact O-N 3.43Å; K96-T100 PolarHBondContact O-OG1 3.15Å; A97-T100 PolarHBondContact O-N 3.13Å; T100-S102 PolarHBondContact O-N 3.18Å; T100-S102 VanDerWaalsContact O-N 3.13Å
101	S	41.2	Very low	49.6	Very low	105 Å²	105	97 Å²	97	73%	0.734	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-3.1	176.7	60.6	0	0	0	0	114.5	S98 N99	S98-S101 PolarHBondContact O-OG 2.9Å; N99-S101 VanDerWaalsContact C-N 3.3Å; N99-S101 PolarHBondContact O-N 3.22Å
102	S	39.7	Very low	47.8	Very low	84 Å²	84	97 Å²	97	59%	0.587	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-7.7	-176.4	69.2	0	0	0	0	115.3	N99 T100	N99-S102 PolarHBondContact O-N 3.24Å; N99-S102 PolarHBondContact O-OG 3.1Å; T100-S102 PolarHBondContact O-N 3.18Å; T100-S102 VanDerWaalsContact O-N 3.13Å
103	N	34.3	Very low	46	Very low	133 Å²	133	103.8 Å²	103.8	71%	0.711	61%	0.61	S	S	*	*	S	Bend	trans	-137.9	137.3	178.9	-77.3	-66.3	0	0	0	112.5
104	T	31.7	Very low	43.9	Very low	136 Å²	136	107.9 Å²	107.9	83%	0.834	63%	0.628	S	S	*	*			trans	-67.5	133.4	-171.1	38.1	0	0	0	0	114.5
105	A	30.8	Very low	42.2	Very low	91 Å²	91	105.9 Å²	105.9	75%	0.752	63%	0.625	S	S	*	*			trans	40.5	94.3	141.7	0	0	0	0	0	118.6
106	E	32.6	Very low	40.8	Very low	196 Å²	196	106 Å²	106	92%	0.916	63%	0.627	S	S	*	*			trans	-155.9	119.6	135.8	-117.2	165.8	-149.1	0	0	112.7
107	S	29.7	Very low	39.3	Very low	104 Å²	104	105.3 Å²	105.3	73%	0.727	64%	0.636	S	S	*	*			trans	31.3	137.8	147.2	-160.7	0	0	0	0	122.6
108	S	32.2	Very low	38.2	Very low	97 Å²	97	106.9 Å²	106.9	68%	0.678	64%	0.639	S	S	*	*			trans	74.5	72.3	152.2	-57.2	0	0	0	0	119.3
109	N	35.2	Very low	37.3	Very low	131 Å²	131	108.4 Å²	108.4	70%	0.701	64%	0.641	S	S	*	*			trans	-150.2	18.9	161.8	-94.5	-58	0	0	0	115.8	L111	N109-L111 VanDerWaalsContact C-N 3.28Å; N109-L111 PolarHBondContact O-N 2.94Å
110	T	32.7	Very low	36.8	Very low	130 Å²	130	113 Å²	113	80%	0.798	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-21	-177.5	27.5	0	0	0	0	115.1	A112	T110-A112 VanDerWaalsContact C-N 3.32Å; T110-A112 PolarHBondContact O-N 3.3Å
111	L	35.2	Very low	36.1	Very low	121 Å²	121	113.6 Å²	113.6	63%	0.634	66%	0.656	S	S	*	*	H	α-helix	trans	-74.4	-13.3	-177.6	-108.7	158.8	0	0	0	115.1	N109	N109-L111 VanDerWaalsContact C-N 3.28Å; N109-L111 PolarHBondContact O-N 2.94Å
112	A	38.7	Very low	35.8	Very low	54 Å²	54	113.5 Å²	113.5	45%	0.446	66%	0.655	S	S	.	*	H	α-helix	trans	-84.6	-24.1	-175.1	0	0	0	0	0	114.1	T110	T110-A112 VanDerWaalsContact C-N 3.32Å; T110-A112 PolarHBondContact O-N 3.3Å
113	L	38.6	Very low	35.4	Very low	146 Å²	146	118.7 Å²	118.7	76%	0.764	67%	0.667	S	S	*	*	H	α-helix	trans	-81.8	-33.5	-178.7	-97.6	155.4	0	0	0	112.7	Q115 V116	L113-Q115 PolarHBondContact O-N 3.37Å; L113-V116 PolarHBondContact O-N 3.32Å
114	E	33.6	Very low	35.2	Very low	141 Å²	141	120.3 Å²	120.3	66%	0.659	68%	0.676	S	S	*	*	H	α-helix	trans	-70	-33.5	-177.2	-158.9	166.7	-153.5	0	0	112.4	V116 A117 T118	E114-V116 VanDerWaalsContact C-N 3.3Å; E114-V116 PolarHBondContact O-N 3.47Å; E114-A117 PolarHBondContact O-N 2.98Å; E114-T118 PolarHBondContact O-OG1 3.15Å; E114-T118 VanDerWaalsContact O-OG1 3.12Å
115	Q	40.8	Very low	35.4	Very low	115 Å²	115	119.4 Å²	119.4	54%	0.537	67%	0.672	S	S	.	*	H	α-helix	trans	-71.9	-20.1	178.5	-62.6	-177.9	21.9	0	0	113.7	L113	L113-Q115 PolarHBondContact O-N 3.37Å
116	V	41.1	Very low	35.3	Very low	45 Å²	45	120.4 Å²	120.4	27%	0.273	67%	0.674	S	S	.	*	H	α-helix	trans	-78.8	-28.3	176	178.6	0	0	0	0	111.2	L113 E114	L113-V116 PolarHBondContact O-N 3.32Å; E114-V116 VanDerWaalsContact C-N 3.3Å; E114-V116 PolarHBondContact O-N 3.47Å
117	A	36.1	Very low	35.3	Very low	63 Å²	63	116.5 Å²	116.5	52%	0.521	67%	0.665	S	S	.	*	H	α-helix	trans	-69.9	-40.3	174.7	0	0	0	0	0	111.9	E114 L119 R120	E114-A117 PolarHBondContact O-N 2.98Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.4Å; A117-R120 PolarHBondContact O-N 2.82Å
118	T	40.1	Very low	35.3	Very low	99 Å²	99	118 Å²	118	61%	0.607	67%	0.665	S	S	*	*	H	α-helix	trans	-67.8	-22.8	-177.3	-9	0	0	0	0	113.9	E114 T121	E114-T118 PolarHBondContact O-OG1 3.15Å; E114-T118 VanDerWaalsContact O-OG1 3.12Å; T118-T121 PolarHBondContact O-OG1 2.85Å
119	L	39.6	Very low	35.4	Very low	100 Å²	100	120 Å²	120	52%	0.524	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.2	177.4	-81.3	163.6	0	0	0	113.9	M86 A117	M86-L119 HydrophobicContact CE-CB 4.22Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.4Å
120	R	40.3	Very low	35.4	Very low	186 Å²	186	121.2 Å²	121.2	70%	0.702	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	1.1	178.4	-70	-175.5	175	177.2	0.6	113.8	A117	A117-R120 PolarHBondContact O-N 2.82Å
121	T	34.9	Very low	35.2	Very low	108 Å²	108	120.5 Å²	120.5	66%	0.663	66%	0.661	S	S	*	*			trans	-125	62.4	-172.5	55.3	0	0	0	0	112.5	T118	T118-T121 PolarHBondContact O-OG1 2.85Å
122	S	33.8	Very low	35.2	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	67%	0.665	S	S	*	*	S	Bend	trans	-155.5	123.2	163.4	67.4	0	0	0	0	113.5
123	K	32.5	Very low	35.1	Very low	193 Å²	193	126.6 Å²	126.6	84%	0.839	68%	0.681	S	S	*	*			trans	75.3	78.6	170.3	-62	-173.6	173.2	-175.3	0	118.5
124	D	29.3	Very low	34.8	Very low	167 Å²	167	126.2 Å²	126.2	89%	0.893	68%	0.679	S	S	*	*				-90.7	141.8	124.8	-77.1	-51.7	0	0	0	108.8
125	P	35.1	Very low	34.9	Very low	118 Å²	118	127.2 Å²	127.2	77%	0.766	68%	0.684	S	S	*	*			trans	-130.2	113	151.2	26.2	-8.2	0	0	0	111.7
126	S	29.3	Very low	34.6	Very low	112 Å²	112	127 Å²	127	78%	0.783	69%	0.691	S	S	*	*			trans	-65.5	145.8	172.2	-174	0	0	0	0	111.7
127	P	32.1	Very low	34.1	Very low	113 Å²	113	133.9 Å²	133.9	73%	0.734	72%	0.717	S	S	*	*			trans	-84.6	129.7	177.3	33.2	-32.4	0	0	0	111.8
128	N	30.6	Very low	34.2	Very low	137 Å²	137	135.3 Å²	135.3	73%	0.733	72%	0.723	S	S	*	*				-172.7	158.9	117.2	-135.8	7.9	0	0	0	113.4
129	E	34.3	Very low	34.1	Very low	138 Å²	138	138 Å²	138	65%	0.645	73%	0.729	S	S	*	*			trans	77.2	130.9	143.9	-89	174.7	-124.4	0	0	124.5
130	Q	35.1	Very low	33.9	Very low	156 Å²	156	139.8 Å²	139.8	73%	0.729	74%	0.735	S	S	*	*			trans	92.2	84.3	144.3	-67.1	177.1	47.3	0	0	121.5
131	T	29.2	Very low	33.8	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	73%	0.733	S	S	*	*				40.8	117.5	116.3	-24.9	0	0	0	0	120.1
132	N	34.8	Very low	34.1	Very low	135 Å²	135	141.1 Å²	141.1	72%	0.722	74%	0.739	S	S	*	*				170.8	156.3	101.3	-104.9	-52.3	0	0	0	115.8
133	Q	35.2	Very low	34.4	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	74%	0.743	S	S	*	*			trans	66.9	147.4	158.2	-71.7	169.1	58	0	0	117.7
134	L	32.6	Very low	34.6	Very low	139 Å²	139	135.5 Å²	135.5	73%	0.728	73%	0.734	S	S	*	*			cis	-167.7	134.7	-21.4	-157.3	75.5	0	0	0	103.5
135	E	35.9	Very low	35.2	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	73%	0.731	S	S	*	*				177.4	125.1	81.2	-81.7	-177.4	151.2	0	0	106.6
136	T	34	Very low	35.2	Very low	110 Å²	110	137.6 Å²	137.6	68%	0.675	73%	0.732	S	S	*	*				74.8	107.6	95.3	-46.6	0	0	0	0	115.9
137	F	32.5	Very low	35.6	Very low	190 Å²	190	139.9 Å²	139.9	83%	0.833	73%	0.728	S	S	*	*				-177.7	124	118	-110.3	-79.7	0	0	0	112.6
138	S	37.1	Very low	35.5	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	73%	0.728	S	S	*	*			trans	34.9	147.4	148.3	-61.6	0	0	0	0	122.8
139	Q	38.8	Very low	35.4	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	73%	0.727	S	S	*	*			cis	-159.5	130.5	1.8	-115.5	173.4	-66	0	0	106.9
140	E	35.4	Very low	35.2	Very low	136 Å²	136	137.6 Å²	137.6	64%	0.636	73%	0.729	S	S	*	*				83.8	104.5	95	-162	-157.6	150.1	0	0	116.1
141	K	37.9	Very low	35	Very low	156 Å²	156	137.1 Å²	137.1	68%	0.678	73%	0.727	S	S	*	*				-179.5	125.9	110.4	-96.7	-178.5	-175.6	176.6	0	114.4
142	Q	40.7	Very low	35.2	Very low	166 Å²	166	137.5 Å²	137.5	78%	0.776	73%	0.725	S	S	*	*			trans	57.6	141.7	136.7	-64.1	175.2	-13.3	0	0	120.9
143	S	39.7	Very low	35.1	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	72%	0.723	S	S	*	*			cis	-176.2	150.4	-12.7	48.9	0	0	0	0	111.8
144	G	38	Very low	35	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	72%	0.72	S	S	*	*			trans	104	103.7	158.3	0	0	0	0	0	115.1
145	S	40.2	Very low	35.2	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	72%	0.722	S	S	*	*				82.5	139.6	66.7	75.4	0	0	0	0	113.1
146	R	36	Very low	35.3	Very low	212 Å²	212	132.9 Å²	132.9	80%	0.8	71%	0.712	S	S	*	*			cis	-168.1	148.8	1.9	-129.9	-179.9	-178.2	178.2	1.5	110.2
147	K	36.9	Very low	35.4	Very low	160 Å²	160	136.4 Å²	136.4	70%	0.696	72%	0.721	S	S	*	*			trans	60	118.7	136.5	-86.4	-173.7	176.5	-162.9	0	121
148	T	30.8	Very low	35.7	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	72%	0.715	S	S	*	*				65.1	146.3	91.6	66.2	0	0	0	0	115
149	V	29.5	Very low	35.8	Very low	119 Å²	119	132.4 Å²	132.4	72%	0.721	72%	0.719	S	S	*	*			cis	-174.7	160.9	0.4	131.2	0	0	0	0	106.7
150	C	29.7	Very low	35.7	Very low	102 Å²	102	130.3 Å²	130.3	69%	0.689	72%	0.721	S	S	*	*			trans	65.9	161.3	169	-77.2	0	0	0	0	116
151	E	30.7	Very low	35.7	Very low	147 Å²	147	129.1 Å²	129.1	69%	0.687	72%	0.723	S	S	*	*			cis	-162.1	160.1	0.1	-123.2	161.1	-134.1	0	0	111.3
152	N	32.1	Very low	35.6	Very low	122 Å²	122	128.6 Å²	128.6	65%	0.652	73%	0.727	S	S	*	*			trans	58.4	140.9	145	-58.8	-25.2	0	0	0	124.1
153	N	32.7	Very low	35.1	Very low	129 Å²	129	126 Å²	126	69%	0.69	72%	0.722	S	S	*	*			trans	67.6	150.2	147.7	-69.7	21.3	0	0	0	118.5
154	E	34.8	Very low	34.7	Very low	151 Å²	151	127.5 Å²	127.5	71%	0.706	72%	0.721	S	S	*	*			cis	-162.7	162.8	-4.2	-118.3	168.4	145.5	0	0	110.9
155	L	35.3	Very low	34.3	Very low	148 Å²	148	130 Å²	130	78%	0.775	72%	0.724	S	S	*	*			trans	52	118.7	148.4	-97.4	77.4	0	0	0	123.7
156	S	37.6	Very low	33.9	Very low	80 Å²	80	129.4 Å²	129.4	56%	0.559	72%	0.719	S	S	*	*				108.1	121.9	106.7	-161.6	0	0	0	0	121.7
157	Q	38.2	Very low	34	Very low	183 Å²	183	127.5 Å²	127.5	86%	0.855	72%	0.72	S	S	*	*			trans	63.4	149.3	145.4	-69.7	164.9	18.8	0	0	119.6
158	A	37.9	Very low	33.7	Very low	86 Å²	86	126.3 Å²	126.3	71%	0.711	73%	0.726	S	S	*	*			cis	-177.4	-170.3	-13.3	0	0	0	0	0	107.4
159	P	39.1	Very low	33.8	Very low	113 Å²	113	124.5 Å²	124.5	73%	0.734	73%	0.731	S	S	*	*				-125.9	-162.7	-59.5	33.5	-14.6	0	0	0	113
160	C	37.6	Very low	34.1	Very low	113 Å²	113	126.4 Å²	126.4	76%	0.764	73%	0.732	S	S	*	*			trans	86.5	134	160.5	-62.6	0	0	0	0	118.7
161	T	35.2	Very low	34.5	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	73%	0.73	S	S	*	*			cis	-165.7	133	-1.9	-87.2	0	0	0	0	111.6
162	L	35.1	Very low	34.8	Very low	146 Å²	146	128.2 Å²	128.2	76%	0.764	73%	0.732	S	S	*	*			trans	52.3	130.3	158.4	-55.4	166.1	0	0	0	119.4
163	T	29.6	Very low	35	Very low	110 Å²	110	127.8 Å²	127.8	68%	0.675	73%	0.734	S	S	*	*			cis	68.7	149.9	38.4	83.8	0	0	0	0	114.4
164	N	31.9	Very low	35.1	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	74%	0.739	S	S	*	*			cis	-156.5	-178.3	11.7	-135.2	1	0	0	0	114.1
165	T	28.9	Very low	35.1	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	74%	0.743	S	S	*	*			trans	-80.6	165.9	-177	15.3	0	0	0	0	117.1
166	S	32.8	Very low	35.2	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	75%	0.75	S	S	*	*			trans	102.6	143.4	136.3	74.7	0	0	0	0	123.3
167	Q	37.6	Very low	34.8	Very low	172 Å²	172	137.7 Å²	137.7	80%	0.804	76%	0.761	S	S	*	*			trans	80.4	110.8	149	-78.9	175.5	9.7	0	0	123.4
168	T	30	Very low	34.8	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	76%	0.76	S	S	*	*			trans	30.1	125.3	130.4	53.2	0	0	0	0	121.2
169	G	34.6	Very low	34.5	Very low	80 Å²	80	139.4 Å²	139.4	83%	0.825	77%	0.769	S	S	*	*			trans	180	130.5	161.3	0	0	0	0	0	114.2
170	E	35.5	Very low	34.4	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	77%	0.769	S	S	*	*			trans	-68.8	162.6	177.9	-80.5	-172.7	110.2	0	0	115.8
171	K	37.9	Very low	34.2	Very low	151 Å²	151	144.7 Å²	144.7	66%	0.657	77%	0.77	S	S	*	*			trans	85.6	128.6	142.5	-81.3	155.7	-171.4	150.8	0	122.4
172	D	36.8	Very low	34.1	Very low	136 Å²	136	143 Å²	143	73%	0.727	77%	0.774	S	S	*	*			trans	78.5	111.5	135.6	-67.1	-31	0	0	0	124
173	V	36.1	Very low	34.4	Very low	114 Å²	114	142 Å²	142	69%	0.691	77%	0.774	S	S	*	*				85.1	125.6	121.2	175.6	0	0	0	0	121
174	Q	34.9	Very low	34.5	Very low	170 Å²	170	144.3 Å²	144.3	79%	0.794	78%	0.78	S	S	*	*			trans	76.4	92.2	153.1	-80.2	167.3	2.6	0	0	123.8
175	K	35.3	Very low	34.7	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	78%	0.78	S	S	*	*				51.1	98.2	96.9	-166.6	-173.5	-170.9	179.6	0	119.7
176	R	36.7	Very low	35.1	Very low	244 Å²	244	145 Å²	145	92%	0.921	78%	0.779	S	S	*	*			trans	-147.1	124.3	140.5	-63	-170.8	-178.8	-171.9	0.5	107.6
177	C	29.9	Very low	35	Very low	118 Å²	118	149.3 Å²	149.3	80%	0.797	79%	0.788	S	S	*	*			cis	84	99.9	46.1	-76.8	0	0	0	0	116.7
178	A	37.2	Very low	34.9	Very low	99 Å²	99	151.8 Å²	151.8	82%	0.818	79%	0.79	S	S	*	*			trans	-175	110.1	144	0	0	0	0	0	105.6
179	K	31.9	Very low	35.3	Very low	206 Å²	206	152.5 Å²	152.5	90%	0.896	79%	0.787	S	S	*	*				37.7	104.1	53.9	-84.6	-162.9	179.4	-179.2	0	115.1
180	E	36.5	Very low	35.1	Very low	161 Å²	161	160.1 Å²	160.1	75%	0.752	79%	0.791	S	S	*	*			trans	175.1	162.1	135.9	-94.8	-163.8	148	0	0	108.7
181	K	34.4	Very low	35.1	Very low	177 Å²	177	161.8 Å²	161.8	77%	0.77	80%	0.796	S	S	*	*			cis	-174.8	149	-34.7	-115	-178.3	-155.3	157.7	0	107.5
182	G	33.1	Very low	34.9	Very low	74 Å²	74	163.7 Å²	163.7	76%	0.763	81%	0.807	S	S	*	*			trans	73.8	159.3	163.2	0	0	0	0	0	116.4
183	T	40.1	Very low	34.7	Very low	125 Å²	125	161.2 Å²	161.2	77%	0.767	81%	0.805	S	S	*	*			cis	-154.5	125.6	-4.7	26.3	0	0	0	0	107.4
184	I	32.1	Very low	34.5	Very low	158 Å²	158	165.3 Å²	165.3	81%	0.81	81%	0.814	S	S	*	*				46.8	106.8	99.5	-53.5	173.9	0	0	0	114.7
185	V	36	Very low	34.5	Very low	126 Å²	126	162.6 Å²	162.6	76%	0.764	81%	0.813	S	S	*	*			trans	-146.6	115.3	142.8	177.8	0	0	0	0	109.1
186	E	36.5	Very low	34.4	Very low	154 Å²	154	159.9 Å²	159.9	72%	0.72	81%	0.812	S	S	*	*			trans	39.5	124	149.6	-54	-178.6	137	0	0	119.8
187	Q	32	Very low	34.3	Very low	192 Å²	192	152.7 Å²	152.7	90%	0.897	80%	0.8	S	S	*	*			cis	61	79.4	27.8	-95.1	-161.4	9.1	0	0	116.8
188	R	34.8	Very low	34.4	Very low	225 Å²	225	153.5 Å²	153.5	85%	0.849	81%	0.805	S	S	*	*			trans	179.7	138.3	153.3	-102.8	169	-177.8	174.3	1.8	107.1
189	I	38	Very low	34.2	Very low	151 Å²	151	152.1 Å²	152.1	77%	0.774	80%	0.8	S	S	*	*			cis	-138.4	137.7	4.5	-59.2	-178.2	0	0	0	108.8
190	R	32.3	Very low	34.1	Very low	239 Å²	239	150.2 Å²	150.2	90%	0.902	80%	0.8	S	S	*	*			trans	-125.1	140.3	161.1	-116.7	-175.6	179.9	178.8	0.6	107.2
191	K	33.9	Very low	34	Very low	194 Å²	194	147.7 Å²	147.7	84%	0.843	80%	0.799	S	S	*	*			trans	77	105.4	177.9	-53.1	176	177.4	179.6	0	116.9
192	E	33.4	Very low	33.9	Very low	191 Å²	191	148 Å²	148	89%	0.893	80%	0.803	S	S	*	*				-129.5	120.9	113.4	-80.9	177.1	159.1	0	0	104.7
193	A	34.2	Very low	34	Very low	84 Å²	84	153.4 Å²	153.4	69%	0.694	81%	0.806	S	S	*	*				60.7	101.3	74.8	0	0	0	0	0	110.4
194	K	31.2	Very low	33.5	Very low	201 Å²	201	155.6 Å²	155.6	87%	0.874	81%	0.807	S	S	*	*				53.9	135.6	76.8	-79.6	-167.1	173.3	-175.5	0	113.2
195	S	34.1	Very low	33.5	Very low	112 Å²	112	153.6 Å²	153.6	78%	0.783	81%	0.808	S	S	*	*			trans	72.2	151.4	-169.1	87.9	0	0	0	0	112.6
196	T	34.9	Very low	33.2	Very low	126 Å²	126	153.3 Å²	153.3	77%	0.773	81%	0.81	S	S	*	*			cis	-167.1	161.7	-16.8	15.5	0	0	0	0	106.4
197	S	33.8	Very low	32.9	Very low	93 Å²	93	157 Å²	157	65%	0.65	82%	0.817	S	S	*	*			cis	-171.5	156.4	-5.4	43.3	0	0	0	0	109.5
198	C	31.6	Very low	32.9	Very low	135 Å²	135	154.6 Å²	154.6	91%	0.912	81%	0.81	S	S	*	*			trans	67.3	155.1	169.2	-58.4	0	0	0	0	116.2
199	G	33	Very low	32.8	Very low	70 Å²	70	153.3 Å²	153.3	72%	0.722	81%	0.811	S	S	*	*			cis	-157.8	171.5	1.9	0	0	0	0	0	113
200	N	30.5	Very low	32.5	Very low	166 Å²	166	153.7 Å²	153.7	89%	0.888	81%	0.812	S	S	*	*			trans	-85.3	148.5	-171.6	-50.5	-47.6	0	0	0	113.1
201	C	33.1	Very low	32.1	Very low	109 Å²	109	149.6 Å²	149.6	74%	0.736	81%	0.808	S	S	*	*			trans	-165.9	124.4	133.7	43.3	0	0	0	0	112.8
202	E	33.2	Very low	32	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	81%	0.809	S	S	*	*			trans	58.6	111.3	137.2	-62.9	160.4	-174.1	0	0	119.1
203	K	34.3	Very low	31.9	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	80%	0.796	S	S	*	*				70.1	123.3	54.8	-76.5	-166.4	168.6	-168.3	0	117.3
204	E	30.4	Very low	31.7	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	80%	0.802	S	S	*	*			trans	86.4	151.7	145.1	-83.3	165.2	123.6	0	0	122.5
205	S	31.5	Very low	31.6	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	79%	0.793	S	S	*	*			trans	68.5	134	-172.3	-109	0	0	0	0	117.3
206	C	30.3	Very low	31.4	Very low	119 Å²	119	145.7 Å²	145.7	80%	0.804	79%	0.793	S	S	*	*			cis	-127.5	124.7	9.5	-65.6	0	0	0	0	112.7
207	R	31.1	Very low	31.2	Very low	231 Å²	231	148.9 Å²	148.9	87%	0.872	80%	0.796	S	S	*	*			trans	-88.7	166.7	149.7	-79.5	-175.5	179	173.6	1	109.1
208	N	30.6	Very low	30.9	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	81%	0.808	S	S	*	*			trans	75.1	97.7	166.6	-53.5	-19.2	0	0	0	117
209	F	32.8	Very low	30.7	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.864	80%	0.795	S	S	*	*				-137.9	101.6	126.8	-99.9	-78.5	0	0	0	111.1
210	M	31.3	Very low	30.4	Very low	159 Å²	159	159 Å²	159	78%	0.783	80%	0.8	S	S	*	*			trans	61.3	99.1	145.8	-61.6	-175.4	179.9	0	0	121
211	N	25.9	Very low	30.4	Very low	154 Å²	154	155.6 Å²	155.6	82%	0.824	79%	0.787	S	S	*	*			trans	-49.7	151.2	132.6	-77.8	-37.8	0	0	0	111.8
212	I	31.7	Very low	30.1	Very low	171 Å²	171	157.3 Å²	157.3	88%	0.877	79%	0.794	S	S	*	*				175.8	139.4	129.6	-90	151.7	0	0	0	109.1
213	G	30.4	Very low	30.1	Very low	60 Å²	60	154.9 Å²	154.9	62%	0.619	79%	0.785	S	S	*	*			trans	109.7	60	164.8	0	0	0	0	0	116.1
214	H	30.6	Very low	29.8	Very low	173 Å²	173	157 Å²	157	80%	0.801	79%	0.788	S	S	*	*				63.4	120.9	96.8	-83.2	-95.1	0	0	0	117.9
215	V	27.5	Very low	29.9	Very low	116 Å²	116	160.1 Å²	160.1	70%	0.703	79%	0.793	S	S	*	*			trans	71.5	124.1	135.2	-179.3	0	0	0	0	115.7
216	K	31.9	Very low	29.9	Very low	180 Å²	180	163.8 Å²	163.8	78%	0.783	79%	0.794	S	S	*	*			cis	-157.2	144.1	43.8	-142.8	153	-164.7	179.1	0	110.8
217	K	29.4	Very low	29.8	Very low	192 Å²	192	165.9 Å²	165.9	84%	0.835	79%	0.792	S	S	*	*			trans	-67.7	143.2	164.5	-69.5	179.9	176.6	179.4	0	109.5
218	Y	28.6	Very low	29.7	Very low	230 Å²	230	161.2 Å²	161.2	90%	0.902	79%	0.792	S	S	*	*			trans	-122.7	129.6	152.4	-105.2	-84.3	0	0	0	108.3
219	T	27.1	Very low	29.5	Very low	102 Å²	102	158.8 Å²	158.8	63%	0.626	79%	0.787	S	S	*	*			trans	-119.1	144.3	-178.1	-51.9	0	0	0	0	107.7
220	E	26.7	Very low	29.3	Very low	180 Å²	180	157.9 Å²	157.9	84%	0.841	79%	0.786	S	S	*	*			trans	67.3	165.5	162.6	-88.1	173.3	179.9	0	0	118.8
221	P	29.7	Very low	29.2	Very low	93 Å²	93	158.4 Å²	158.4	60%	0.604	79%	0.79	S	S	*	*			cis	-125	152.9	-0.8	27.9	-7.7	0	0	0	116.4	I223	P221-I223 HydrophobicContact CB-CD1 4.34Å; P221-I223 HydrophobicContact CB-CG1 3.94Å; P221-I223 HydrophobicContact CG-CD1 3.84Å; P221-I223 HydrophobicContact CG-CG1 3.94Å; P221-I223 PolarHBondContact O-N 3.07Å
222	V	26.8	Very low	29.3	Very low	145 Å²	145	159.5 Å²	159.5	88%	0.879	79%	0.793	S	S	*	*			trans	-73.4	114.7	154.5	172.5	0	0	0	0	108
223	I	33.5	Very low	29.2	Very low	133 Å²	133	161.2 Å²	161.2	68%	0.682	79%	0.794	S	S	*	*			trans	-118.6	123.9	172.9	-63.9	-175.1	0	0	0	111	P221	P221-I223 HydrophobicContact CB-CD1 4.34Å; P221-I223 HydrophobicContact CB-CG1 3.94Å; P221-I223 HydrophobicContact CG-CD1 3.84Å; P221-I223 HydrophobicContact CG-CG1 3.94Å; P221-I223 PolarHBondContact O-N 3.07Å
224	R	27.8	Very low	29.3	Very low	232 Å²	232	163.3 Å²	163.3	88%	0.875	81%	0.806	S	S	*	*			trans	-79	135	172	-65.9	167.6	167	164.9	-6.2	111.1
225	R	33.1	Very low	29.4	Very low	236 Å²	236	161.7 Å²	161.7	89%	0.891	81%	0.808	S	S	*	*			trans	-144.4	114.3	150.5	-68.8	-177.9	176	160.4	-2.8	104.3
226	K	31.9	Very low	29.5	Very low	193 Å²	193	165 Å²	165	84%	0.839	82%	0.816	S	S	*	*			cis	52.5	108.6	37.6	-92.6	-156.2	175.7	-167.9	0	113.8
227	H	27.9	Very low	29.6	Very low	164 Å²	164	165.2 Å²	165.2	76%	0.759	82%	0.82	S	S	*	*			trans	46.4	116.3	161.5	-84.2	-95.7	0	0	0	119.4
228	C	27.9	Very low	29.9	Very low	132 Å²	132	164.5 Å²	164.5	89%	0.892	82%	0.82	S	S	*	*				-159.2	82.5	129.6	-110.6	0	0	0	0	108.6
229	S	27.4	Very low	30	Very low	93 Å²	93	163.5 Å²	163.5	65%	0.65	82%	0.823	S	S	*	*			trans	-104.2	80.7	166.4	52.5	0	0	0	0	107.8
230	E	28.3	Very low	30.5	Very low	178 Å²	178	163.4 Å²	163.4	83%	0.832	83%	0.832	S	S	*	*			trans	-172.9	157.8	173.4	-104.8	150.3	-142.3	0	0	107.2
231	L	29.3	Very low	31.2	Very low	169 Å²	169	159.1 Å²	159.1	89%	0.885	82%	0.822	S	S	*	*			trans	76.1	56	-172.3	-52.8	170.3	0	0	0	116.3
232	M	27	Very low	31.7	Very low	178 Å²	178	159 Å²	159	88%	0.877	82%	0.824	S	S	*	*			trans	-114.1	52.9	153.5	-85.5	-77	-76	0	0	110.3
233	F	30.4	Very low	32.4	Very low	207 Å²	207	156.4 Å²	156.4	91%	0.908	81%	0.812	S	S	*	*			trans	-154.3	93.4	168.9	-76.6	-67.7	0	0	0	110.4
234	A	32.9	Very low	32.9	Very low	104 Å²	104	159 Å²	159	86%	0.86	82%	0.818	S	S	*	*			trans	-160.6	119.2	157.9	0	0	0	0	0	109
235	T	32.8	Very low	33.6	Very low	139 Å²	139	157.9 Å²	157.9	85%	0.853	81%	0.814	S	S	*	*			trans	-63	164.4	-174.1	32.5	0	0	0	0	115.7	E237	T235-E237 PolarHBondContact O-N 2.94Å
236	E	30.2	Very low	33.8	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	80%	0.795	S	S	*	*	S	Bend	trans	-46.7	120.6	167.4	-60.4	160.5	122.4	0	0	112.7
237	E	33	Very low	34.1	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	78%	0.784	S	S	*	*			trans	173.3	76.1	148.1	-102.5	-174.2	174.5	0	0	111.2	T235	T235-E237 PolarHBondContact O-N 2.94Å
238	Q	34.7	Very low	34.7	Very low	178 Å²	178	146 Å²	146	83%	0.832	78%	0.78	S	S	*	*			trans	-162.3	39.8	163.2	-120.5	163.6	68.8	0	0	115.7	A240	Q238-A240 PolarHBondContact O-N 2.92Å; Q238-A240 VanDerWaalsContact O-N 3.13Å
239	Q	32.4	Very low	35.2	Very low	209 Å²	209	144.6 Å²	144.6	98%	0.977	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	58.9	-176.7	-154.8	174.9	26.6	0	0	113
240	A	36.8	Very low	35.7	Very low	99 Å²	99	145.3 Å²	145.3	82%	0.818	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	-11.8	-178.9	0	0	0	0	0	117.6	Q238	Q238-A240 PolarHBondContact O-N 2.92Å; Q238-A240 VanDerWaalsContact O-N 3.13Å
241	S	40.6	Very low	36.1	Very low	91 Å²	91	140.2 Å²	140.2	64%	0.636	74%	0.744	S	S	*	*	S	Bend	trans	-108.1	-4.8	-165.8	59.9	0	0	0	0	116.6	S243	S241-S243 PolarHBondContact O-N 3.28Å
242	S	41.9	Very low	36.5	Very low	90 Å²	90	137 Å²	137	63%	0.629	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-25.3	-171.4	58.9	0	0	0	0	115.4	K244 R245	S242-K244 VanDerWaalsContact C-N 3.28Å; S242-K244 PolarHBondContact O-N 3.14Å; S242-K244 VanDerWaalsContact O-N 3.14Å; S242-R245 PolarHBondContact O-N 3.02Å; S242-R245 VanDerWaalsContact O-N 3.11Å
243	S	41.1	Very low	37.1	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	71%	0.71	S	S	*	*	H	α-helix	trans	-60.9	-28.9	-169.1	-169.4	0	0	0	0	114.7	S241	S241-S243 PolarHBondContact O-N 3.28Å
244	K	43.5	Very low	37.6	Very low	186 Å²	186	127.5 Å²	127.5	81%	0.809	69%	0.694	S	S	*	*	H	α-helix	trans	-77.8	-19.6	178.4	-79.5	-176.2	175.7	177.7	0	114.9	S242	S242-K244 VanDerWaalsContact C-N 3.28Å; S242-K244 PolarHBondContact O-N 3.14Å; S242-K244 VanDerWaalsContact O-N 3.14Å
245	R	42.5	Very low	38	Very low	209 Å²	209	128.1 Å²	128.1	79%	0.789	68%	0.683	S	S	*	*	H	α-helix	trans	-81	-27.9	175.3	-83.8	-177.1	171.3	167	-1.8	112.9	S242 L247 Q248 L249	S242-R245 PolarHBondContact O-N 3.02Å; S242-R245 VanDerWaalsContact O-N 3.11Å; R245-L247 VanDerWaalsContact C-N 3.32Å; R245-L247 PolarHBondContact O-N 3.03Å; R245-Q248 PolarHBondContact O-N 2.91Å; R245-L249 PolarHBondContact O-N 3.33Å
246	V	36.8	Very low	38.4	Very low	80 Å²	80	125.2 Å²	125.2	49%	0.485	66%	0.659	S	S	.	*	H	α-helix	trans	-63.3	-36.6	178.4	-179.2	0	0	0	0	111.8	L250	V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.06Å
247	L	39.1	Very low	38.9	Very low	119 Å²	119	124.4 Å²	124.4	62%	0.623	65%	0.652	S	S	*	*	H	α-helix	trans	-71.4	-26.9	177	-77.5	165	0	0	0	113.9	R245 L250	R245-L247 VanDerWaalsContact C-N 3.32Å; R245-L247 PolarHBondContact O-N 3.03Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å
248	Q	39.3	Very low	39.2	Very low	144 Å²	144	127.1 Å²	127.1	67%	0.673	66%	0.655	S	S	*	*	H	α-helix	trans	-72.7	-40.3	177.1	-157.6	79.8	39.7	0	0	111.3	R245 L250 S251	R245-Q248 PolarHBondContact O-N 2.91Å; Q248-L250 VanDerWaalsContact C-N 3.27Å; Q248-L250 PolarHBondContact O-N 3.13Å; Q248-S251 WeakPolarHBondContact O-CB 3.37Å; Q248-S251 PolarHBondContact O-N 3.11Å
249	L	38.9	Very low	39.6	Very low	104 Å²	104	121 Å²	121	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-68.3	-24.8	177.6	-72.2	165.8	0	0	0	113	R245 S251 D252	R245-L249 PolarHBondContact O-N 3.33Å; L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 2.72Å; L249-D252 PolarHBondContact O-N 3.29Å
250	L	37.5	Very low	40.2	Very low	108 Å²	108	118.5 Å²	118.5	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-71.3	-19.9	174.2	-73	168.4	0	0	0	113.1	V246 L247 Q248 A253	V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.06Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å; Q248-L250 VanDerWaalsContact C-N 3.27Å; Q248-L250 PolarHBondContact O-N 3.13Å; L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.29Å
251	S	36.7	Very low	40.7	Very low	71 Å²	71	116.8 Å²	116.8	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-72.2	-30.7	173.6	-58	0	0	0	0	112.8	Q248 L249 A253 E254	Q248-S251 WeakPolarHBondContact O-CB 3.37Å; Q248-S251 PolarHBondContact O-N 3.11Å; L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 2.72Å; S251-A253 PolarHBondContact O-N 2.91Å; S251-E254 PolarHBondContact O-N 3.48Å
252	D	38.4	Very low	41.3	Very low	101 Å²	101	116 Å²	116	54%	0.54	59%	0.587	S	S	.	*	H	α-helix	trans	-69.2	-20.3	176.3	-75.2	-39.6	0	0	0	112.9	L249 E254 N255	L249-D252 PolarHBondContact O-N 3.29Å; D252-E254 PolarHBondContact O-N 3.46Å; D252-N255 WeakPolarHBondContact O-CB 3.29Å; D252-N255 PolarHBondContact O-N 2.86Å
253	A	39.6	Very low	41.9	Very low	62 Å²	62	112.5 Å²	112.5	51%	0.512	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-67.1	-22.3	173.8	0	0	0	0	0	113.1	L250 S251 N255 F256	L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.29Å; S251-A253 PolarHBondContact O-N 2.91Å; A253-N255 VanDerWaalsContact C-N 3.33Å; A253-F256 PolarHBondContact O-N 3.08Å
254	E	40.3	Very low	43.2	Very low	123 Å²	123	108.1 Å²	108.1	58%	0.575	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-74.4	-22.9	176.5	-69.4	-134.6	98.4	0	0	113.3	S251 D252 F256 K257	S251-E254 PolarHBondContact O-N 3.48Å; D252-E254 PolarHBondContact O-N 3.46Å; E254-F256 PolarHBondContact O-N 2.99Å; E254-F256 VanDerWaalsContact O-N 3.11Å; E254-K257 PolarHBondContact O-N 3.35Å; E254-K257 IonicContact OE1-NZ 3.71Å; E254-K257 PolarHBondContact OE1-NZ 3.41Å
255	N	41.9	Very low	44.3	Very low	117 Å²	117	99.5 Å²	99.5	63%	0.626	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.1	175	-73.7	-47	0	0	0	112.9	D252 A253 K257 R258	D252-N255 WeakPolarHBondContact O-CB 3.29Å; D252-N255 PolarHBondContact O-N 2.86Å; A253-N255 VanDerWaalsContact C-N 3.33Å; N255-K257 PolarHBondContact O-N 2.89Å; N255-R258 PolarHBondContact O-N 2.96Å
256	F	41.2	Very low	45.5	Very low	78 Å²	78	89.9 Å²	89.9	34%	0.342	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-63.2	-18.7	175.1	-101.3	-87.8	0	0	0	114.8	A253 E254 R258 V259 C607	A253-F256 PolarHBondContact O-N 3.08Å; E254-F256 PolarHBondContact O-N 2.99Å; E254-F256 VanDerWaalsContact O-N 3.11Å; F256-R258 PolarHBondContact O-N 3.32Å; F256-V259 HydrophobicContact CD1-CB 4.22Å; F256-V259 HydrophobicContact CD1-CG2 3.95Å; F256-V259 HydrophobicContact CE1-CG2 4.25Å; F256-V259 HydrophobicContact CG-CG2 4.45Å; F256-V259 PolarHBondContact O-N 2.7Å; F256-V259 VanDerWaalsContact O-N 3.11Å; F256-C607 HydrophobicContact CE2-CB 4.49Å
257	K	41.2	Very low	46.6	Very low	168 Å²	168	86.8 Å²	86.8	73%	0.73	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-61.7	-12.5	178	-75	169.5	178.9	159.4	0	114	E254 N255	E254-K257 PolarHBondContact O-N 3.35Å; E254-K257 IonicContact OE1-NZ 3.71Å; E254-K257 PolarHBondContact OE1-NZ 3.41Å; N255-K257 PolarHBondContact O-N 2.89Å
258	R	38.3	Very low	47.3	Very low	242 Å²	242	83.7 Å²	83.7	91%	0.913	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-104.9	-4.3	175.5	-72.5	-173	178.2	-173.2	1.4	115.4	N255 F256 K260	N255-R258 PolarHBondContact O-N 2.96Å; F256-R258 PolarHBondContact O-N 3.32Å; R258-K260 PolarHBondContact O-N 2.96Å
259	V	42.9	Very low	48	Very low	49 Å²	49	80.8 Å²	80.8	30%	0.297	42%	0.418	S	S	.	.	S	Bend	trans	-75.5	124.9	178	-177.9	0	0	0	0	109.3	F256 A261	F256-V259 HydrophobicContact CD1-CB 4.22Å; F256-V259 HydrophobicContact CD1-CG2 3.95Å; F256-V259 HydrophobicContact CE1-CG2 4.25Å; F256-V259 HydrophobicContact CG-CG2 4.45Å; F256-V259 PolarHBondContact O-N 2.7Å; F256-V259 VanDerWaalsContact O-N 3.11Å; V259-A261 PolarHBondContact O-N 2.88Å
260	K	46.5	Very low	48.9	Very low	157 Å²	157	79.6 Å²	79.6	68%	0.683	41%	0.41	S	S	*	.			trans	-58.7	129.6	-179.3	-68.4	-176.1	179.4	-179.4	0	110	R258 E262 T263	R258-K260 PolarHBondContact O-N 2.96Å; K260-E262 PolarHBondContact O-N 3.46Å; K260-T263 PolarHBondContact O-OG1 3.33Å
261	A	47.1	Very low	49.9	Very low	63 Å²	63	78 Å²	78	52%	0.521	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	32.2	-178	0	0	0	0	0	114.3	V259 K293	V259-A261 PolarHBondContact O-N 2.88Å; A261-K293 WeakPolarHBondContact O-CE 3.13Å; A261-K293 PolarHBondContact O-NZ 3.39Å
262	E	52.6	Low	50.9	Low	73 Å²	73	78.9 Å²	78.9	34%	0.341	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	0.8	-166.5	-60.1	179.3	143.5	0	0	112.2	K260 M615 C617	K260-E262 PolarHBondContact O-N 3.46Å; E262-M615 WeakPolarHBondContact O-CB 3.45Å; E262-M615 WeakPolarHBondContact O-CG 3.27Å; E262-M615 PolarHBondContact O-N 2.84Å; E262-C617 VanDerWaalsContact CD-SG 3.59Å; E262-C617 PolarHBondContact OE1-SG 3.11Å; E262-C617 VanDerWaalsContact OE1-SG 3.39Å; E262-C617 PolarHBondContact OE2-SG 2.94Å
263	T	55.2	Low	51.9	Low	17 Å²	17	76 Å²	76	10%	0.104	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	161	167.7	47.9	0	0	0	0	111.2	K260 H265 P291 W328 F613	K260-T263 PolarHBondContact O-OG1 3.33Å; T263-H265 PolarHBondContact OG1-NE2 3.13Å; T263-P291 VanDerWaalsContact O-CG 3.25Å; T263-P291 WeakPolarHBondContact O-CG 3.48Å; T263-W328 VanDerWaalsContact O-CH2 3.24Å; T263-W328 WeakPolarHBondContact O-CH2 3.32Å; T263-W328 VanDerWaalsContact O-CZ3 3.26Å; T263-W328 WeakPolarHBondContact O-CZ3 3.2Å; T263-F613 CarbonylContact C-O 3.46Å; T263-F613 WeakPolarHBondContact CA-O 3.41Å
264	F	68.6	Low	52.3	Low	0 Å²	0	79.6 Å²	79.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.8	151.1	82	-87.1	0	0	0	109.4	V266 M288 A289 I345 H349 F613 M615	F264-V266 HydrophobicContact CD2-CG2 4.24Å; F264-V266 HydrophobicContact CE2-CG2 3.66Å; F264-M288 HydrophobicContact CE2-SD 4.4Å; F264-A289 WeakPolarHBondContact CB-O 3.26Å; F264-I345 HydrophobicContact CE2-CG2 4.34Å; F264-I345 HydrophobicContact CZ-CG2 4.34Å; F264-H349 HydrophobicContact CE1-CB 3.74Å; F264-H349 AromaticContact CE1-CD2 3.63Å; F264-H349 AromaticContact CE1-CG 3.84Å; F264-H349 HydrophobicContact CZ-CB 3.83Å; F264-F613 HydrophobicContact CD1-CB 3.56Å; F264-F613 HydrophobicContact CD1-CG 4.36Å; F264-F613 HydrophobicContact CD2-CD2 4.41Å; F264-F613 HydrophobicContact CE1-CB 3.17Å; F264-F613 HydrophobicContact CE1-CD1 4.35Å; F264-F613 HydrophobicContact CE1-CD2 4.01Å; F264-F613 AromaticContact CE1-CG 3.62Å; F264-F613 HydrophobicContact CE1-CG 3.62Å; F264-F613 HydrophobicContact CE2-CB 4.39Å; F264-F613 AromaticContact CE2-CD2 3.74Å; F264-F613 HydrophobicContact CE2-CD2 3.74Å; F264-F613 HydrophobicContact CE2-CE2 4.31Å; F264-F613 HydrophobicContact CE2-CG 4.22Å; F264-F613 HydrophobicContact CG-CB 4.31Å; F264-F613 HydrophobicContact CZ-CB 3.64Å; F264-F613 HydrophobicContact CZ-CD1 4.19Å; F264-F613 AromaticContact CZ-CD2 3.5Å; F264-F613 HydrophobicContact CZ-CD2 3.5Å; F264-F613 VanDerWaalsContact CZ-CD2 3.5Å; F264-F613 HydrophobicContact CZ-CE2 4.17Å; F264-F613 AromaticContact CZ-CG 3.52Å; F264-F613 HydrophobicContact CZ-CG 3.52Å; F264-F613 PolarHBondContact N-O 2.9Å; F264-F613 PolarHBondContact O-N 3.34Å; F264-M615 HydrophobicContact CB-CE 3.85Å; F264-M615 HydrophobicContact CD1-CE 3.58Å; F264-M615 HydrophobicContact CG-CE 4.11Å
265	H	65.9	Low	52.9	Low	5 Å²	5	75.3 Å²	75.3	2%	0.023	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.7	-170.8	-59.2	-107.3	0	0	0	109.6	T263 F267 M288 A289 W328 C610 V611	T263-H265 PolarHBondContact OG1-NE2 3.13Å; H265-F267 HydrophobicContact CB-CE2 4.5Å; H265-F267 HydrophobicContact CB-CZ 4.47Å; H265-M288 CarbonylContact O-C 3.52Å; H265-M288 WeakPolarHBondContact O-CA 3.24Å; H265-A289 HydrophobicContact CB-CB 4.33Å; H265-A289 PolarHBondContact N-O 3.38Å; H265-A289 PolarHBondContact O-N 3.35Å; H265-W328 AromaticContact CD2-CH2 3.49Å; H265-W328 VanDerWaalsContact CD2-CH2 3.49Å; H265-W328 WeakPolarHBondContact CD2-CH2 3.25Å; H265-W328 AromaticContact CD2-CZ3 3.64Å; H265-W328 AromaticContact NE2-CH2 3.51Å; H265-W328 AromaticContact NE2-CZ2 3.96Å; H265-C610 HydrophobicContact CB-CB 4.28Å; H265-C610 PolarHBondContact ND1-SG 3.08Å; H265-C610 VanDerWaalsContact ND1-SG 3.37Å; H265-V611 WeakPolarHBondContact CA-O 3.19Å
266	V	67.5	Low	52.9	Low	7 Å²	7	77.7 Å²	77.7	4%	0.042	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.8	170.2	-174	0	0	0	0	107.7	F264 M288 I345 C610 V611 F613	F264-V266 HydrophobicContact CD2-CG2 4.24Å; F264-V266 HydrophobicContact CE2-CG2 3.66Å; V266-M288 HydrophobicContact CG1-CG 4.32Å; V266-M288 HydrophobicContact CG2-CG 4.05Å; V266-M288 HydrophobicContact CG2-SD 4.4Å; V266-I345 HydrophobicContact CG1-CD1 4.06Å; V266-I345 HydrophobicContact CG2-CG2 4.1Å; V266-C610 CarbonylContact O-C 3.59Å; V266-C610 VanDerWaalsContact O-CA 3.3Å; V266-C610 WeakPolarHBondContact O-CA 3.16Å; V266-V611 HydrophobicContact CB-CB 4.49Å; V266-V611 PolarHBondContact N-O 3.29Å; V266-V611 PolarHBondContact O-N 2.9Å; V266-F613 HydrophobicContact CB-CE2 4.37Å; V266-F613 HydrophobicContact CG2-CD2 4.01Å; V266-F613 HydrophobicContact CG2-CE2 3.59Å
267	F	60.4	Low	52.9	Low	14 Å²	14	79.7 Å²	79.7	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.7	-177.7	-61.8	-89.3	0	0	0	110.8	H265 T287 A289 Y330 W605 C610	H265-F267 HydrophobicContact CB-CE2 4.5Å; H265-F267 HydrophobicContact CB-CZ 4.47Å; F267-T287 PolarHBondContact N-O 3.43Å; F267-A289 HydrophobicContact CE2-CB 3.69Å; F267-A289 HydrophobicContact CZ-CB 4.04Å; F267-Y330 HydrophobicContact CE2-CD1 4.04Å; F267-Y330 AromaticContact CE2-CE1 3.63Å; F267-Y330 HydrophobicContact CE2-CE1 3.63Å; F267-Y330 AromaticContact CZ-CE1 3.82Å; F267-Y330 HydrophobicContact CZ-CE1 3.82Å; F267-W605 AromaticContact CD1-CE3 3.91Å; F267-W605 HydrophobicContact CD1-CE3 3.91Å; F267-W605 AromaticContact CD2-CE3 3.77Å; F267-W605 HydrophobicContact CD2-CE3 3.77Å; F267-W605 AromaticContact CD2-CZ3 3.64Å; F267-W605 HydrophobicContact CD2-CZ3 3.64Å; F267-W605 AromaticContact CE1-CE3 3.87Å; F267-W605 HydrophobicContact CE1-CE3 3.87Å; F267-W605 AromaticContact CE2-CE3 3.74Å; F267-W605 HydrophobicContact CE2-CE3 3.74Å; F267-W605 AromaticContact CE2-CZ3 3.7Å; F267-W605 HydrophobicContact CE2-CZ3 3.7Å; F267-W605 AromaticContact CG-CE3 3.86Å; F267-W605 HydrophobicContact CG-CE3 3.86Å; F267-W605 HydrophobicContact CG-CZ3 4.12Å; F267-W605 AromaticContact CZ-CE3 3.8Å; F267-W605 HydrophobicContact CZ-CE3 3.8Å; F267-W605 HydrophobicContact CZ-CZ3 4.22Å; F267-C610 HydrophobicContact CD1-CB 4.15Å; F267-C610 HydrophobicContact CE1-CB 4.35Å
268	T	54.4	Low	53	Low	54 Å²	54	81.4 Å²	81.4	33%	0.331	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.1	165.5	68.9	0	0	0	0	107.8	N609	T268-N609 PolarHBondContact N-O 2.61Å; T268-N609 WeakPolarHBondContact O-CB 3.36Å; T268-N609 PolarHBondContact O-ND2 2.69Å; T268-N609 PolarHBondContact OG1-O 3.02Å
269	P	52.1	Low	53.4	Low	83 Å²	83	74.9 Å²	74.9	54%	0.539	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)		-98.5	138.8	73	-16.8	32.9	0	0	0	113.8	H271	P269-H271 PolarHBondContact O-CD2 3.38Å
270	E	58.1	Low	53.6	Low	79 Å²	79	73.7 Å²	73.7	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.9	161.2	-60.3	176.7	127.2	0	0	107	K286 H338	E270-K286 HydrophobicContact CG-CG 4.36Å; E270-K286 WeakPolarHBondContact OE1-CE 3.41Å; E270-K286 IonicContact OE1-NZ 2.73Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; E270-H338 VanDerWaalsContact CD-CE1 3.42Å; E270-H338 VanDerWaalsContact CD-ND1 3.35Å; E270-H338 IonicContact OE1-CE1 3.73Å; E270-H338 PolarHBondContact OE1-CE1 3.12Å; E270-H338 IonicContact OE1-ND1 2.63Å; E270-H338 PolarHBondContact OE1-ND1 3.33Å; E270-H338 IonicContact OE2-CE1 2.71Å; E270-H338 PolarHBondContact OE2-CE1 3.4Å; E270-H338 IonicContact OE2-ND1 3.78Å; E270-H338 PolarHBondContact OE2-ND1 3.1Å
271	H	59.5	Low	54.1	Low	74 Å²	74	68.3 Å²	68.3	34%	0.343	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.4	178.5	-66.6	-96.8	0	0	0	109	P269 M273 K285	P269-H271 PolarHBondContact O-CD2 3.38Å; H271-M273 HydrophobicContact CB-SD 4.31Å; H271-M273 PolarHBondContact O-N 2.69Å; H271-K285 HydrophobicContact CB-CB 4.18Å; H271-K285 HydrophobicContact CB-CD 4.18Å; H271-K285 PolarHBondContact N-O 2.97Å; H271-K285 WeakPolarHBondContact O-CB 3.36Å; H271-K285 PolarHBondContact O-N 3.35Å
272	I	56.9	Low	55.1	Low	90 Å²	90	70.2 Å²	70.2	46%	0.462	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111	166.2	-58.9	177	0	0	0	106.7	F274 R282 F283	I272-F274 HydrophobicContact CB-CE2 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.89Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å; I272-R282 HydrophobicContact CG2-CB 4.48Å; I272-F283 WeakPolarHBondContact CA-O 3.14Å
273	M	59	Low	56.1	Low	41 Å²	41	66.9 Å²	66.9	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.1	179.5	-62.1	-65.5	-74.6	0	0	109.6	H271 F283 K285 I596	H271-M273 HydrophobicContact CB-SD 4.31Å; H271-M273 PolarHBondContact O-N 2.69Å; M273-F283 HydrophobicContact CB-CD1 3.89Å; M273-F283 HydrophobicContact CB-CD2 3.86Å; M273-F283 HydrophobicContact CB-CE1 3.46Å; M273-F283 VanDerWaalsContact CB-CE1 3.46Å; M273-F283 HydrophobicContact CB-CE2 3.45Å; M273-F283 VanDerWaalsContact CB-CE2 3.45Å; M273-F283 HydrophobicContact CB-CG 4.08Å; M273-F283 HydrophobicContact CB-CZ 3.24Å; M273-F283 HydrophobicContact CG-CD2 4.24Å; M273-F283 HydrophobicContact CG-CE1 4.48Å; M273-F283 HydrophobicContact CG-CE2 3.64Å; M273-F283 HydrophobicContact CG-CZ 3.79Å; M273-F283 PolarHBondContact N-O 2.94Å; M273-F283 PolarHBondContact O-N 3.49Å; M273-F283 VanDerWaalsContact O-N 3.07Å; M273-K285 HydrophobicContact CG-CB 4.28Å; M273-I596 HydrophobicContact CE-CG2 4.09Å
274	F	49.8	Very low	57.2	Low	137 Å²	137	66.7 Å²	66.7	60%	0.601	35%	0.35	S	S	*	.			trans	-109.2	145.9	176.7	-63.6	-100.7	0	0	0	108.8	I272 R282	I272-F274 HydrophobicContact CB-CE2 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.89Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å; F274-R282 HydrophobicContact CD1-CG 3.92Å; F274-R282 HydrophobicContact CE1-CG 3.86Å
275	F	51.1	Low	58	Low	33 Å²	33	67.1 Å²	67.1	15%	0.145	35%	0.351	C	S	.	.			trans	-121	125.1	175.6	-137.4	-62.6	0	0	0	107.1	E277 C280 F283 L592 I596	F275-E277 HydrophobicContact CD1-CB 4.09Å; F275-E277 HydrophobicContact CD1-CG 4.47Å; F275-E277 HydrophobicContact CE1-CB 4.23Å; F275-E277 HydrophobicContact CE1-CG 4.24Å; F275-C280 HydrophobicContact CB-CB 3.48Å; F275-C280 VanDerWaalsContact CB-CB 3.48Å; F275-C280 HydrophobicContact CD1-CB 3.98Å; F275-C280 HydrophobicContact CD2-CB 4.25Å; F275-C280 HydrophobicContact CG-CB 3.63Å; F275-F283 HydrophobicContact CD2-CE1 4.08Å; F275-L592 HydrophobicContact CE1-CD2 3.76Å; F275-L592 HydrophobicContact CE1-CG 4.28Å; F275-L592 HydrophobicContact CE2-CD2 4.14Å; F275-L592 HydrophobicContact CE2-CG 4Å; F275-L592 HydrophobicContact CZ-CD1 3.96Å; F275-L592 HydrophobicContact CZ-CD2 3.36Å; F275-L592 HydrophobicContact CZ-CG 3.41Å; F275-L592 VanDerWaalsContact CZ-CG 3.41Å; F275-I596 HydrophobicContact CD2-CD1 4.25Å; F275-I596 HydrophobicContact CE1-CD1 4.28Å; F275-I596 HydrophobicContact CE2-CD1 3.2Å; F275-I596 HydrophobicContact CZ-CD1 3.18Å
276	D	42.9	Very low	58.8	Low	168 Å²	168	67.7 Å²	67.7	90%	0.898	35%	0.354	S	S	*	.			trans	-94.5	-10.5	-172.6	-126.3	6.2	0	0	0	113.3
277	E	40.8	Very low	59.5	Low	120 Å²	120	67.9 Å²	67.9	56%	0.561	36%	0.355	S	S	*	.	S	Bend	trans	-72.8	138.6	172	-67.7	-179.6	162.8	0	0	111.1	F275 S279 C280	F275-E277 HydrophobicContact CD1-CB 4.09Å; F275-E277 HydrophobicContact CD1-CG 4.47Å; F275-E277 HydrophobicContact CE1-CB 4.23Å; F275-E277 HydrophobicContact CE1-CG 4.24Å; E277-S279 PolarHBondContact O-N 3.38Å; E277-C280 PolarHBondContact O-N 3Å; E277-C280 VanDerWaalsContact O-N 3.11Å
278	E	43.6	Very low	60.6	Low	203 Å²	203	67.2 Å²	67.2	95%	0.949	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	8.1	-147.7	-59.4	-178.3	123.3	0	0	118.5
279	S	46.6	Very low	61.9	Low	105 Å²	105	64.8 Å²	64.8	73%	0.734	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.1	-6.2	-179	54.5	0	0	0	0	115.2	E277	E277-S279 PolarHBondContact O-N 3.38Å
280	C	46.6	Very low	63.4	Low	25 Å²	25	60.8 Å²	60.8	17%	0.169	31%	0.312	C	S	.	.			trans	-95.1	112.8	-168	-76.7	0	0	0	0	113.8	F275 E277 I589	F275-C280 HydrophobicContact CB-CB 3.48Å; F275-C280 VanDerWaalsContact CB-CB 3.48Å; F275-C280 HydrophobicContact CD1-CB 3.98Å; F275-C280 HydrophobicContact CD2-CB 4.25Å; F275-C280 HydrophobicContact CG-CB 3.63Å; E277-C280 PolarHBondContact O-N 3Å; E277-C280 VanDerWaalsContact O-N 3.11Å; C280-I589 VanDerWaalsContact SG-CG2 3.56Å
281	G	57.5	Low	64.5	Low	43 Å²	43	57.3 Å²	57.3	44%	0.443	30%	0.296	S	S	.	.			trans	-69.5	161.2	-178.8	0	0	0	0	0	114.9
282	R	67.3	Low	65.6	Low	104 Å²	104	58.5 Å²	58.5	39%	0.392	30%	0.3	S	S	.	.			trans	-53.7	143.9	173.2	-57.9	-180	-172.8	-176.6	-1.3	111.2	H15 I272 F274	H15-R282 PolarHBondContact CD2-NH1 3.04Å; H15-R282 PolarHBondContact CE1-NH1 3.43Å; H15-R282 VanDerWaalsContact CG-NH2 3.32Å; H15-R282 PolarHBondContact ND1-NH1 3.48Å; H15-R282 PolarHBondContact ND1-NH2 3.12Å; H15-R282 PolarHBondContact NE2-NH1 2.84Å; I272-R282 HydrophobicContact CG2-CB 4.48Å; F274-R282 HydrophobicContact CD1-CG 3.92Å; F274-R282 HydrophobicContact CE1-CG 3.86Å
283	F	73.9	Confident	66.8	Low	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.5	175.6	66.4	-87.7	0	0	0	113.1	I272 M273 F275 A334 G335 W584 V593 L597	I272-F283 WeakPolarHBondContact CA-O 3.14Å; M273-F283 HydrophobicContact CB-CD1 3.89Å; M273-F283 HydrophobicContact CB-CD2 3.86Å; M273-F283 HydrophobicContact CB-CE1 3.46Å; M273-F283 VanDerWaalsContact CB-CE1 3.46Å; M273-F283 HydrophobicContact CB-CE2 3.45Å; M273-F283 VanDerWaalsContact CB-CE2 3.45Å; M273-F283 HydrophobicContact CB-CG 4.08Å; M273-F283 HydrophobicContact CB-CZ 3.24Å; M273-F283 HydrophobicContact CG-CD2 4.24Å; M273-F283 HydrophobicContact CG-CE1 4.48Å; M273-F283 HydrophobicContact CG-CE2 3.64Å; M273-F283 HydrophobicContact CG-CZ 3.79Å; M273-F283 PolarHBondContact N-O 2.94Å; M273-F283 PolarHBondContact O-N 3.49Å; M273-F283 VanDerWaalsContact O-N 3.07Å; F275-F283 HydrophobicContact CD2-CE1 4.08Å; F283-A334 HydrophobicContact CD2-CB 3.76Å; F283-A334 HydrophobicContact CE2-CB 4.14Å; F283-G335 WeakPolarHBondContact CA-O 3.47Å; F283-W584 HydrophobicContact CB-CH2 3.3Å; F283-W584 HydrophobicContact CB-CZ2 3.38Å; F283-W584 HydrophobicContact CB-CZ3 4.33Å; F283-W584 HydrophobicContact CD1-CZ2 4.46Å; F283-W584 HydrophobicContact CD2-CH2 4.48Å; F283-W584 AromaticContact CG-CH2 3.93Å; F283-W584 HydrophobicContact CG-CH2 3.93Å; F283-W584 HydrophobicContact CG-CZ2 4.16Å; F283-V593 HydrophobicContact CE2-CG1 4.43Å; F283-L597 HydrophobicContact CE2-CD2 4.07Å
284	I	79.2	Confident	68	Low	14 Å²	14	59.6 Å²	59.6	7%	0.072	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.3	-175.2	-49.2	-161.1	0	0	0	108	A334 G335 H338	I284-A334 WeakPolarHBondContact O-CA 3.42Å; I284-G335 PolarHBondContact N-O 2.77Å; I284-G335 PolarHBondContact O-N 3.4Å; I284-G335 VanDerWaalsContact O-N 3.09Å; I284-H338 WeakPolarHBondContact CD1-CD2 3.08Å; I284-H338 VanDerWaalsContact CD1-NE2 3.27Å; I284-H338 WeakPolarHBondContact CD1-NE2 3.3Å
285	K	84.2	Confident	69.6	Low	8 Å²	8	53.1 Å²	53.1	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.1	178.3	170.9	-168.1	157.3	-147.9	0	109.5	H271 M273 V332 A333 L597 E600	H271-K285 HydrophobicContact CB-CB 4.18Å; H271-K285 HydrophobicContact CB-CD 4.18Å; H271-K285 PolarHBondContact N-O 2.97Å; H271-K285 WeakPolarHBondContact O-CB 3.36Å; H271-K285 PolarHBondContact O-N 3.35Å; M273-K285 HydrophobicContact CG-CB 4.28Å; K285-V332 HydrophobicContact CD-CG1 3.98Å; K285-V332 HydrophobicContact CG-CG1 3.56Å; K285-A333 CarbonylContact C-O 3.54Å; K285-A333 WeakPolarHBondContact CA-O 3.34Å; K285-L597 HydrophobicContact CB-CD2 4.43Å; K285-L597 HydrophobicContact CD-CD2 3.88Å; K285-L597 HydrophobicContact CG-CD2 3.98Å; K285-E600 WeakPolarHBondContact CE-OE2 3.47Å; K285-E600 IonicContact NZ-OE1 3.06Å; K285-E600 PolarHBondContact NZ-OE1 2.94Å; K285-E600 IonicContact NZ-OE2 3.86Å; K285-E600 PolarHBondContact NZ-OE2 2.81Å
286	K	84.6	Confident	71	Confident	17 Å²	17	54.1 Å²	54.1	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.7	165.5	-66.7	-169.4	-176.6	-156.3	0	110.4	E270 A333 V341 N342 I345	E270-K286 HydrophobicContact CG-CG 4.36Å; E270-K286 WeakPolarHBondContact OE1-CE 3.41Å; E270-K286 IonicContact OE1-NZ 2.73Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; K286-A333 PolarHBondContact N-O 3.07Å; K286-A333 PolarHBondContact O-N 3.39Å; K286-V341 HydrophobicContact CB-CG1 3.81Å; K286-V341 HydrophobicContact CD-CG1 3.78Å; K286-V341 HydrophobicContact CG-CG1 3.79Å; K286-N342 PolarHBondContact NZ-OD1 2.9Å; K286-I345 HydrophobicContact CD-CD1 3.57Å
287	T	81	Confident	72.9	Confident	11 Å²	11	51 Å²	51	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.8	177.3	-43.3	0	0	0	0	111.1	F267 Y330 L331 V332 W605	F267-T287 PolarHBondContact N-O 3.43Å; T287-Y330 HydrophobicContact CG2-CD1 4.45Å; T287-L331 WeakPolarHBondContact CA-O 3.28Å; T287-V332 HydrophobicContact CG2-CG2 3.93Å; T287-W605 HydrophobicContact CG2-CH2 3.42Å; T287-W605 VanDerWaalsContact CG2-CH2 3.42Å; T287-W605 HydrophobicContact CG2-CZ3 3.54Å
288	M	83.6	Confident	75.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	-176.6	-58.4	-177	-82.2	0	0	110.9	F264 H265 V266 Y330 L331 A333 I345 I348	F264-M288 HydrophobicContact CE2-SD 4.4Å; H265-M288 CarbonylContact O-C 3.52Å; H265-M288 WeakPolarHBondContact O-CA 3.24Å; V266-M288 HydrophobicContact CG1-CG 4.32Å; V266-M288 HydrophobicContact CG2-CG 4.05Å; V266-M288 HydrophobicContact CG2-SD 4.4Å; M288-Y330 CarbonylContact O-C 3.59Å; M288-Y330 VanDerWaalsContact O-CA 3.27Å; M288-Y330 WeakPolarHBondContact O-CA 3.27Å; M288-L331 HydrophobicContact CE-CB 4.32Å; M288-L331 HydrophobicContact CE-CD2 3.32Å; M288-L331 HydrophobicContact CE-CG 4.23Å; M288-L331 PolarHBondContact N-O 2.96Å; M288-L331 PolarHBondContact O-N 3.39Å; M288-A333 HydrophobicContact CE-CB 4.36Å; M288-I345 HydrophobicContact CE-CG1 4.42Å; M288-I345 HydrophobicContact SD-CG1 3.67Å; M288-I348 HydrophobicContact CE-CD1 3.77Å
289	A	81.5	Confident	77.1	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.4	164.3	0	0	0	0	0	109.7	F264 H265 F267 W328 Y330	F264-A289 WeakPolarHBondContact CB-O 3.26Å; H265-A289 HydrophobicContact CB-CB 4.33Å; H265-A289 PolarHBondContact N-O 3.38Å; H265-A289 PolarHBondContact O-N 3.35Å; F267-A289 HydrophobicContact CE2-CB 3.69Å; F267-A289 HydrophobicContact CZ-CB 4.04Å; A289-W328 HydrophobicContact CB-CB 4.4Å; A289-W328 HydrophobicContact CB-CD2 4.41Å; A289-W328 HydrophobicContact CB-CE3 3.91Å; A289-Y330 HydrophobicContact CB-CD1 4.03Å; A289-Y330 HydrophobicContact CB-CE1 3.75Å
290	I	83.6	Confident	78.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.7	178.7	-60.5	174.7	0	0	0	108.3	K292 F295 L298 R329 L331 I348 L352	I290-K292 PolarHBondContact O-N 3.49Å; I290-F295 HydrophobicContact CB-CD2 4.29Å; I290-F295 HydrophobicContact CG2-CD2 4.38Å; I290-L298 HydrophobicContact CD1-CD1 4.47Å; I290-L298 HydrophobicContact CD1-CD2 3.73Å; I290-R329 PolarHBondContact N-O 2.82Å; I290-R329 PolarHBondContact O-N 2.89Å; I290-L331 HydrophobicContact CD1-CB 4.18Å; I290-L331 HydrophobicContact CD1-CD1 4.28Å; I290-I348 HydrophobicContact CD1-CG2 4.22Å; I290-L352 HydrophobicContact CG2-CD1 4.12Å
291	P	81.6	Confident	80.2	Confident	6 Å²	6	37.8 Å²	37.8	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132.1	176.1	-23.6	33.2	0	0	0	111.5	T263 K293 Y294 W328	T263-P291 VanDerWaalsContact O-CG 3.25Å; T263-P291 WeakPolarHBondContact O-CG 3.48Å; P291-K293 HydrophobicContact CB-CD 4.47Å; P291-K293 HydrophobicContact CB-CG 4.05Å; P291-K293 PolarHBondContact O-N 2.93Å; P291-Y294 HydrophobicContact CB-CD2 3.95Å; P291-Y294 HydrophobicContact CB-CE2 4.38Å; P291-Y294 HydrophobicContact CG-CD2 4.03Å; P291-Y294 HydrophobicContact CG-CE2 4.28Å; P291-Y294 PolarHBondContact O-N 3.2Å; P291-W328 HydrophobicContact CB-CZ3 4.4Å; P291-W328 HydrophobicContact CG-CE3 4.08Å; P291-W328 HydrophobicContact CG-CH2 4.04Å; P291-W328 HydrophobicContact CG-CZ3 3.52Å
292	K	83	Confident	81.1	Confident	99 Å²	99	43.8 Å²	43.8	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-52.4	-31.1	-177.2	-174	178.2	177.7	-179.3	0	112.8	I290 Y294 F295 N326 Y327	I290-K292 PolarHBondContact O-N 3.49Å; K292-Y294 VanDerWaalsContact C-N 3.26Å; K292-Y294 PolarHBondContact O-N 3.31Å; K292-F295 PolarHBondContact O-N 2.82Å; K292-N326 WeakPolarHBondContact CD-O 3.47Å; K292-Y327 WeakPolarHBondContact CB-O 3.37Å; K292-Y327 PolarHBondContact N-O 2.87Å
293	K	82	Confident	81.8	Confident	114 Å²	114	39.6 Å²	39.6	50%	0.496	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-28.3	176.6	74.4	-170.6	-168.1	-175.5	0	114.4	A261 P291	A261-K293 WeakPolarHBondContact O-CE 3.13Å; A261-K293 PolarHBondContact O-NZ 3.39Å; P291-K293 HydrophobicContact CB-CD 4.47Å; P291-K293 HydrophobicContact CB-CG 4.05Å; P291-K293 PolarHBondContact O-N 2.93Å
294	Y	82.9	Confident	82.2	Confident	40 Å²	40	40.7 Å²	40.7	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-98	-16	178.2	-62.9	-62.9	0	0	0	113.7	P291 K292 G296 R297 L298 L352 M615	P291-Y294 HydrophobicContact CB-CD2 3.95Å; P291-Y294 HydrophobicContact CB-CE2 4.38Å; P291-Y294 HydrophobicContact CG-CD2 4.03Å; P291-Y294 HydrophobicContact CG-CE2 4.28Å; P291-Y294 PolarHBondContact O-N 3.2Å; K292-Y294 VanDerWaalsContact C-N 3.26Å; K292-Y294 PolarHBondContact O-N 3.31Å; Y294-G296 VanDerWaalsContact C-N 3.3Å; Y294-G296 PolarHBondContact O-N 2.85Å; Y294-R297 WeakPolarHBondContact O-CB 3.34Å; Y294-R297 PolarHBondContact O-N 2.84Å; Y294-R297 VanDerWaalsContact O-N 3.1Å; Y294-L298 PolarHBondContact O-N 3.38Å; Y294-L352 HydrophobicContact CD1-CD2 4.21Å; Y294-L352 HydrophobicContact CG-CD2 3.88Å; Y294-M615 HydrophobicContact CD2-CE 4.3Å; Y294-M615 HydrophobicContact CD2-SD 3.96Å; Y294-M615 HydrophobicContact CE2-CE 4.23Å; Y294-M615 HydrophobicContact CE2-SD 3.37Å; Y294-M615 WeakPolarHBondContact CE2-SD 3.37Å
295	F	83.4	Confident	82.6	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-31.9	-166.9	-156.7	-99.7	0	0	0	113.8	I290 K292 L298 I299 I319 R329	I290-F295 HydrophobicContact CB-CD2 4.29Å; I290-F295 HydrophobicContact CG2-CD2 4.38Å; K292-F295 PolarHBondContact O-N 2.82Å; F295-L298 PolarHBondContact O-N 3.09Å; F295-I299 HydrophobicContact CD1-CD1 3.56Å; F295-I299 HydrophobicContact CD1-CG1 4.09Å; F295-I299 HydrophobicContact CE1-CD1 3.56Å; F295-I299 HydrophobicContact CE1-CG1 4.04Å; F295-I299 WeakPolarHBondContact O-CG1 3.26Å; F295-I299 PolarHBondContact O-N 2.82Å; F295-I299 VanDerWaalsContact O-N 3.11Å; F295-I319 HydrophobicContact CE1-CD1 4.13Å; F295-I319 HydrophobicContact CE1-CG1 4.42Å; F295-I319 HydrophobicContact CE1-CG2 3.75Å; F295-I319 HydrophobicContact CZ-CB 4.29Å; F295-I319 HydrophobicContact CZ-CD1 4.04Å; F295-I319 HydrophobicContact CZ-CG1 3.9Å; F295-I319 HydrophobicContact CZ-CG2 3.58Å; F295-R329 HydrophobicContact CD1-CB 4.25Å; F295-R329 HydrophobicContact CD1-CG 4.41Å; F295-R329 HydrophobicContact CD2-CB 3.57Å; F295-R329 HydrophobicContact CD2-CG 4.47Å; F295-R329 HydrophobicContact CE1-CB 4.21Å; F295-R329 HydrophobicContact CE2-CB 3.58Å; F295-R329 HydrophobicContact CG-CB 3.91Å; F295-R329 HydrophobicContact CG-CG 4.33Å; F295-R329 HydrophobicContact CZ-CB 3.9Å
296	G	81.8	Confident	82.7	Confident	53 Å²	53	40.6 Å²	40.6	55%	0.546	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-38.6	175.4	0	0	0	0	0	113.3	Y294 G300	Y294-G296 VanDerWaalsContact C-N 3.3Å; Y294-G296 PolarHBondContact O-N 2.85Å; G296-G300 PolarHBondContact O-N 3.03Å; G296-G300 VanDerWaalsContact O-N 3.1Å
297	R	82.6	Confident	82.6	Confident	102 Å²	102	43.4 Å²	43.4	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-65.7	-42.3	175.3	-64	170.9	175.2	-88.6	-4.5	111.1	Y294 G300 N355 D357	Y294-R297 WeakPolarHBondContact O-CB 3.34Å; Y294-R297 PolarHBondContact O-N 2.84Å; Y294-R297 VanDerWaalsContact O-N 3.1Å; R297-G300 PolarHBondContact O-N 2.91Å; R297-N355 VanDerWaalsContact CZ-OD1 3.29Å; R297-N355 PolarHBondContact NE-OD1 3.28Å; R297-N355 PolarHBondContact NH1-ND2 3.46Å; R297-N355 PolarHBondContact NH1-OD1 2.77Å; R297-D357 WeakPolarHBondContact CD-OD1 3.33Å; R297-D357 WeakPolarHBondContact CG-OD1 3.28Å; R297-D357 IonicContact CZ-OD1 3.64Å; R297-D357 IonicContact CZ-OD2 3.12Å; R297-D357 IonicContact NH1-OD1 3.95Å; R297-D357 PolarHBondContact NH1-OD1 3.18Å; R297-D357 IonicContact NH1-OD2 3.14Å; R297-D357 PolarHBondContact NH1-OD2 3.41Å
298	L	86.2	Confident	82.8	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-41.5	-179.4	-162.4	97.7	0	0	0	112.8	I290 Y294 F295 T305 L331 I348 L352	I290-L298 HydrophobicContact CD1-CD1 4.47Å; I290-L298 HydrophobicContact CD1-CD2 3.73Å; Y294-L298 PolarHBondContact O-N 3.38Å; F295-L298 PolarHBondContact O-N 3.09Å; L298-T305 WeakPolarHBondContact O-CB 3.27Å; L298-T305 WeakPolarHBondContact O-CG2 3.47Å; L298-L331 HydrophobicContact CD2-CD1 3.37Å; L298-I348 HydrophobicContact CD1-CB 4.4Å; L298-I348 HydrophobicContact CD1-CD1 4.44Å; L298-I348 HydrophobicContact CD1-CG1 4.07Å; L298-I348 HydrophobicContact CD1-CG2 3.78Å; L298-L352 HydrophobicContact CD1-CD1 4.49Å; L298-L352 HydrophobicContact CD1-CD2 4.4Å
299	I	85.7	Confident	83.1	Confident	43 Å²	43	42.9 Å²	42.9	22%	0.221	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-43.6	173.8	-64.7	169	0	0	0	110.4	F295 G303 T304 T305 V306 I319	F295-I299 HydrophobicContact CD1-CD1 3.56Å; F295-I299 HydrophobicContact CD1-CG1 4.09Å; F295-I299 HydrophobicContact CE1-CD1 3.56Å; F295-I299 HydrophobicContact CE1-CG1 4.04Å; F295-I299 WeakPolarHBondContact O-CG1 3.26Å; F295-I299 PolarHBondContact O-N 2.82Å; F295-I299 VanDerWaalsContact O-N 3.11Å; I299-G303 CarbonylContact O-C 3.57Å; I299-G303 WeakPolarHBondContact O-CA 3.3Å; I299-T304 PolarHBondContact O-N 2.83Å; I299-T305 PolarHBondContact O-N 3.27Å; I299-V306 PolarHBondContact O-N 2.86Å; I299-I319 HydrophobicContact CD1-CD1 4.17Å; I299-I319 HydrophobicContact CG1-CD1 3.79Å
300	G	81.9	Confident	83.4	Confident	19 Å²	19	43.1 Å²	43.1	20%	0.196	22%	0.22	C	C	.	.			trans	74.6	179.3	-169.2	0	0	0	0	0	113.1	G296 R297 K302 G303 T305	G296-G300 PolarHBondContact O-N 3.03Å; G296-G300 VanDerWaalsContact O-N 3.1Å; R297-G300 PolarHBondContact O-N 2.91Å; G300-K302 PolarHBondContact O-N 2.99Å; G300-G303 PolarHBondContact O-N 2.61Å; G300-T305 VanDerWaalsContact CA-OG1 3.24Å; G300-T305 WeakPolarHBondContact CA-OG1 3.47Å
301	I	77.5	Confident	83.4	Confident	112 Å²	112	43.6 Å²	43.6	57%	0.574	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-68.3	118.9	179.4	-60.5	171.2	0	0	0	108.7	G303 T304	I301-G303 PolarHBondContact O-N 3.24Å; I301-T304 VanDerWaalsContact O-CG2 3.31Å; I301-T304 WeakPolarHBondContact O-CG2 3.39Å; I301-T304 PolarHBondContact O-N 3.2Å; I301-T304 PolarHBondContact O-OG1 2.9Å
302	K	76.5	Confident	83.6	Confident	169 Å²	169	43.3 Å²	43.3	74%	0.735	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	59.4	19.3	-177.9	-57	174.6	178.9	177	0	115.3	G300	G300-K302 PolarHBondContact O-N 2.99Å
303	G	81.4	Confident	83.8	Confident	15 Å²	15	39 Å²	39	16%	0.155	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	90	6.2	178.8	0	0	0	0	0	115.6	I299 G300 I301 T305 V306 Q307	I299-G303 CarbonylContact O-C 3.57Å; I299-G303 WeakPolarHBondContact O-CA 3.3Å; G300-G303 PolarHBondContact O-N 2.61Å; I301-G303 PolarHBondContact O-N 3.24Å; G303-T305 PolarHBondContact O-N 2.87Å; G303-V306 PolarHBondContact O-N 2.79Å; G303-Q307 WeakPolarHBondContact O-CG 3.3Å; G303-Q307 PolarHBondContact O-N 3.03Å; G303-Q307 VanDerWaalsContact O-N 3.12Å
304	T	82.6	Confident	83.8	Confident	25 Å²	25	34.3 Å²	34.3	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-37.5	-174.6	50.2	0	0	0	0	113.9	I299 I301 Q307 I308 V360	I299-T304 PolarHBondContact O-N 2.83Å; I301-T304 VanDerWaalsContact O-CG2 3.31Å; I301-T304 WeakPolarHBondContact O-CG2 3.39Å; I301-T304 PolarHBondContact O-N 3.2Å; I301-T304 PolarHBondContact O-OG1 2.9Å; T304-Q307 PolarHBondContact O-N 3.43Å; T304-I308 WeakPolarHBondContact O-CG1 3.47Å; T304-I308 PolarHBondContact O-N 2.93Å; T304-V360 HydrophobicContact CG2-CG2 4.04Å
305	T	86	Confident	84	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-39.4	179.2	-54.2	0	0	0	0	111.2	L298 I299 G300 G303 Q307 I308 L309 F358	L298-T305 WeakPolarHBondContact O-CB 3.27Å; L298-T305 WeakPolarHBondContact O-CG2 3.47Å; I299-T305 PolarHBondContact O-N 3.27Å; G300-T305 VanDerWaalsContact CA-OG1 3.24Å; G300-T305 WeakPolarHBondContact CA-OG1 3.47Å; G303-T305 PolarHBondContact O-N 2.87Å; T305-Q307 VanDerWaalsContact C-N 3.35Å; T305-Q307 PolarHBondContact O-N 2.74Å; T305-I308 PolarHBondContact O-N 3.45Å; T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.38Å; T305-L309 PolarHBondContact O-N 2.77Å; T305-F358 HydrophobicContact CG2-CB 4.08Å; T305-F358 PolarHBondContact OG1-O 3.14Å
306	V	87.3	Confident	84.1	Confident	15 Å²	15	32.6 Å²	32.6	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-42.2	171.7	160.1	0	0	0	0	111.5	I299 G303 L309 E310 I317	I299-V306 PolarHBondContact O-N 2.86Å; G303-V306 PolarHBondContact O-N 2.79Å; V306-L309 WeakPolarHBondContact O-CB 3.44Å; V306-L309 PolarHBondContact O-N 2.85Å; V306-E310 HydrophobicContact CG1-CG 4.44Å; V306-E310 WeakPolarHBondContact O-CG 3.15Å; V306-E310 PolarHBondContact O-N 3.06Å; V306-I317 HydrophobicContact CG1-CB 3.93Å; V306-I317 HydrophobicContact CG1-CD1 4.22Å; V306-I317 HydrophobicContact CG1-CG2 3.8Å; V306-I317 HydrophobicContact CG2-CG2 4.36Å
307	Q	83.2	Confident	84.5	Confident	75 Å²	75	30.4 Å²	30.4	35%	0.35	15%	0.153	S	C	.	.	H	α-helix	trans	-63.5	-42.5	177.3	-69.8	172.8	-22.5	0	0	112.2	G303 T304 T305 L309 E310 V311	G303-Q307 WeakPolarHBondContact O-CG 3.3Å; G303-Q307 PolarHBondContact O-N 3.03Å; G303-Q307 VanDerWaalsContact O-N 3.12Å; T304-Q307 PolarHBondContact O-N 3.43Å; T305-Q307 VanDerWaalsContact C-N 3.35Å; T305-Q307 PolarHBondContact O-N 2.74Å; Q307-L309 VanDerWaalsContact C-N 3.32Å; Q307-L309 PolarHBondContact O-N 3.25Å; Q307-E310 PolarHBondContact O-N 3.24Å; Q307-V311 WeakPolarHBondContact O-CG2 3.29Å; Q307-V311 PolarHBondContact O-N 3.04Å; Q307-V311 VanDerWaalsContact O-N 3.09Å
308	I	85.3	Confident	84.6	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-55.8	-48.2	171.3	-74.2	163.3	0	0	0	110.3	T304 T305 V311 L312 F358 V360 I363 I546	T304-I308 WeakPolarHBondContact O-CG1 3.47Å; T304-I308 PolarHBondContact O-N 2.93Å; T305-I308 PolarHBondContact O-N 3.45Å; I308-V311 PolarHBondContact O-N 2.83Å; I308-L312 HydrophobicContact CG2-CD1 3.58Å; I308-L312 HydrophobicContact CG2-CG 4.08Å; I308-L312 WeakPolarHBondContact O-CB 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.23Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.98Å; I308-F358 HydrophobicContact CD1-CB 4.44Å; I308-F358 HydrophobicContact CG2-CD2 4.02Å; I308-V360 HydrophobicContact CD1-CG2 3.53Å; I308-V360 HydrophobicContact CG1-CG2 4.12Å; I308-I363 HydrophobicContact CD1-CD1 3.83Å; I308-I546 HydrophobicContact CB-CD1 4.26Å; I308-I546 HydrophobicContact CG1-CD1 4.22Å; I308-I546 HydrophobicContact CG2-CD1 3.81Å
309	L	88.9	Confident	84.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-44.6	-179.5	-72.1	174	0	0	0	112.7	T305 V306 Q307 T313 I317 L344 L347 I348 L351	T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.38Å; T305-L309 PolarHBondContact O-N 2.77Å; V306-L309 WeakPolarHBondContact O-CB 3.44Å; V306-L309 PolarHBondContact O-N 2.85Å; Q307-L309 VanDerWaalsContact C-N 3.32Å; Q307-L309 PolarHBondContact O-N 3.25Å; L309-T313 WeakPolarHBondContact O-CB 3.38Å; L309-T313 WeakPolarHBondContact O-CG2 3.47Å; L309-T313 PolarHBondContact O-N 3.17Å; L309-T313 PolarHBondContact O-OG1 3.34Å; L309-I317 HydrophobicContact CB-CD1 3.98Å; L309-L344 HydrophobicContact CB-CD1 3.86Å; L309-L344 HydrophobicContact CD2-CD1 4.32Å; L309-L344 HydrophobicContact CG-CD1 4.48Å; L309-L347 HydrophobicContact CD2-CD2 3.4Å; L309-L347 HydrophobicContact CD2-CG 3.62Å; L309-I348 HydrophobicContact CD1-CG1 4.09Å; L309-L351 HydrophobicContact CD1-CD1 4.29Å; L309-L351 HydrophobicContact CD2-CD1 3.89Å; L309-L351 HydrophobicContact CG-CD1 4.47Å
310	E	87.4	Confident	84.2	Confident	8 Å²	8	28 Å²	28	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-49.9	175.3	-73.1	-178.7	136.3	0	0	111.2	V306 Q307 T313 N314 T315 I317 R594	V306-E310 HydrophobicContact CG1-CG 4.44Å; V306-E310 WeakPolarHBondContact O-CG 3.15Å; V306-E310 PolarHBondContact O-N 3.06Å; Q307-E310 PolarHBondContact O-N 3.24Å; E310-T313 PolarHBondContact O-N 3.46Å; E310-N314 WeakPolarHBondContact O-CA 3.3Å; E310-N314 PolarHBondContact O-N 2.89Å; E310-T315 WeakPolarHBondContact CA-O 3.44Å; E310-T315 VanDerWaalsContact CB-O 3.23Å; E310-T315 WeakPolarHBondContact CB-O 3.34Å; E310-T315 WeakPolarHBondContact CG-O 3.5Å; E310-T315 PolarHBondContact O-N 3.11Å; E310-T315 VanDerWaalsContact O-N 3.16Å; E310-I317 HydrophobicContact CG-CB 3.97Å; E310-I317 HydrophobicContact CG-CD1 3.95Å; E310-I317 HydrophobicContact CG-CG1 3.86Å; E310-I317 PolarHBondContact OE1-N 3.27Å; E310-R594 IonicContact OE1-CZ 3.46Å; E310-R594 IonicContact OE1-NE 3.45Å; E310-R594 PolarHBondContact OE1-NE 3.41Å; E310-R594 VanDerWaalsContact OE1-NE 3.12Å; E310-R594 IonicContact OE1-NH2 3.28Å; E310-R594 PolarHBondContact OE1-NH2 3.48Å; E310-R594 IonicContact OE2-CZ 2.79Å; E310-R594 IonicContact OE2-NH2 3.54Å; E310-R594 PolarHBondContact OE2-NH2 3.17Å
311	V	83.7	Confident	83.4	Confident	9 Å²	9	34.9 Å²	34.9	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-48.1	-179.7	173.5	0	0	0	0	112.1	Q307 I308 T313 R542 L545 I546 I579	Q307-V311 WeakPolarHBondContact O-CG2 3.29Å; Q307-V311 PolarHBondContact O-N 3.04Å; Q307-V311 VanDerWaalsContact O-N 3.09Å; I308-V311 PolarHBondContact O-N 2.83Å; V311-T313 PolarHBondContact O-N 3.26Å; V311-R542 PolarHBondContact O-NH2 3.39Å; V311-R542 VanDerWaalsContact O-NH2 3.1Å; V311-L545 HydrophobicContact CG1-CB 4.38Å; V311-I546 HydrophobicContact CG1-CD1 4.35Å; V311-I546 HydrophobicContact CG1-CG1 3.92Å; V311-I579 HydrophobicContact CG2-CD1 3.91Å
312	L	86.7	Confident	82.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-32.2	-178.2	-78.2	-179.6	0	0	0	113.2	I308 L347 F358 I541 R542 F543 I546	I308-L312 HydrophobicContact CG2-CD1 3.58Å; I308-L312 HydrophobicContact CG2-CG 4.08Å; I308-L312 WeakPolarHBondContact O-CB 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.23Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.98Å; L312-L347 HydrophobicContact CB-CD2 4.33Å; L312-L347 HydrophobicContact CD1-CD2 3.96Å; L312-F358 HydrophobicContact CD1-CE2 4.22Å; L312-I541 HydrophobicContact CB-CG2 4.02Å; L312-I541 HydrophobicContact CD1-CG2 4.17Å; L312-I541 HydrophobicContact CD2-CG2 4.15Å; L312-I541 HydrophobicContact CG-CG2 4.35Å; L312-R542 PolarHBondContact O-N 3.07Å; L312-F543 HydrophobicContact CD1-CD1 4.48Å; L312-F543 HydrophobicContact CD1-CE1 3.86Å; L312-F543 HydrophobicContact CD1-CE2 3.97Å; L312-F543 HydrophobicContact CD1-CZ 3.56Å; L312-F543 HydrophobicContact CD2-CB 4.3Å; L312-F543 HydrophobicContact CD2-CD1 3.88Å; L312-F543 HydrophobicContact CD2-CD2 3.92Å; L312-F543 HydrophobicContact CD2-CE1 4.1Å; L312-F543 HydrophobicContact CD2-CE2 4.12Å; L312-F543 HydrophobicContact CD2-CG 3.79Å; L312-F543 HydrophobicContact CD2-CZ 4.2Å; L312-I546 HydrophobicContact CD1-CD1 4.44Å; L312-I546 HydrophobicContact CD2-CD1 3.74Å; L312-I546 HydrophobicContact CD2-CG1 4.33Å; L312-I546 HydrophobicContact CG-CD1 3.74Å
313	T	85.9	Confident	81.8	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-112.7	-6.4	-170.1	62.5	0	0	0	0	114.6	L309 E310 V311 T315 L344 L347 I541	L309-T313 WeakPolarHBondContact O-CB 3.38Å; L309-T313 WeakPolarHBondContact O-CG2 3.47Å; L309-T313 PolarHBondContact O-N 3.17Å; L309-T313 PolarHBondContact O-OG1 3.34Å; E310-T313 PolarHBondContact O-N 3.46Å; V311-T313 PolarHBondContact O-N 3.26Å; T313-T315 VanDerWaalsContact C-N 3.3Å; T313-T315 PolarHBondContact OG1-OG1 2.9Å; T313-L344 HydrophobicContact CG2-CB 4.03Å; T313-L344 HydrophobicContact CG2-CD1 4.11Å; T313-L347 HydrophobicContact CG2-CD2 3.97Å; T313-I541 HydrophobicContact CG2-CD1 3.93Å
314	N	83.6	Confident	80.4	Confident	16 Å²	16	36 Å²	36	9%	0.086	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	30.4	-173.4	-154.8	36.8	0	0	0	114.5	E310 E340 E583 W584	E310-N314 WeakPolarHBondContact O-CA 3.3Å; E310-N314 PolarHBondContact O-N 2.89Å; N314-E340 HydrophobicContact CB-CG 4.41Å; N314-E340 PolarHBondContact ND2-OE1 3.3Å; N314-E583 WeakPolarHBondContact OD1-CA 3.34Å; N314-W584 WeakPolarHBondContact ND2-CB 3.35Å; N314-W584 PolarHBondContact OD1-N 3.39Å; N314-W584 VanDerWaalsContact OD1-N 3.16Å
315	T	86.5	Confident	79.4	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	20%	0.195	C	C	.	.			trans	-110.2	164.9	-176.5	59.8	0	0	0	0	112.3	E310 T313 A334 E340 L344	E310-T315 WeakPolarHBondContact CA-O 3.44Å; E310-T315 VanDerWaalsContact CB-O 3.23Å; E310-T315 WeakPolarHBondContact CB-O 3.34Å; E310-T315 WeakPolarHBondContact CG-O 3.5Å; E310-T315 PolarHBondContact O-N 3.11Å; E310-T315 VanDerWaalsContact O-N 3.16Å; T313-T315 VanDerWaalsContact C-N 3.3Å; T313-T315 PolarHBondContact OG1-OG1 2.9Å; T315-A334 CarbonylContact C-O 3.53Å; T315-A334 VanDerWaalsContact CA-O 3.28Å; T315-A334 WeakPolarHBondContact CA-O 3.46Å; T315-A334 VanDerWaalsContact CB-O 3.26Å; T315-A334 WeakPolarHBondContact CB-O 3.36Å; T315-E340 HydrophobicContact CG2-CB 4.02Å; T315-L344 HydrophobicContact CG2-CB 4.17Å; T315-L344 HydrophobicContact CG2-CD2 4.45Å
316	V	85.8	Confident	78.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.6	169.7	178.5	0	0	0	0	108.7	A334 V585 K590 V593 R594 L597	V316-A334 HydrophobicContact CB-CB 4.44Å; V316-A334 PolarHBondContact N-O 3.39Å; V316-A334 PolarHBondContact O-N 3.13Å; V316-V585 HydrophobicContact CG2-CB 4.43Å; V316-V585 HydrophobicContact CG2-CG2 4.18Å; V316-K590 HydrophobicContact CG2-CG 4.08Å; V316-V593 HydrophobicContact CB-CG1 4.13Å; V316-V593 HydrophobicContact CG1-CB 4.43Å; V316-V593 HydrophobicContact CG1-CG1 3.93Å; V316-V593 HydrophobicContact CG2-CG1 4.38Å; V316-R594 HydrophobicContact CG1-CG 3.37Å; V316-L597 HydrophobicContact CG1-CD1 4.41Å
317	I	89.2	Confident	77.8	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.4	-179.1	-68.3	174.1	0	0	0	109	V306 L309 E310 L331 L344	V306-I317 HydrophobicContact CG1-CB 3.93Å; V306-I317 HydrophobicContact CG1-CD1 4.22Å; V306-I317 HydrophobicContact CG1-CG2 3.8Å; V306-I317 HydrophobicContact CG2-CG2 4.36Å; L309-I317 HydrophobicContact CB-CD1 3.98Å; E310-I317 HydrophobicContact CG-CB 3.97Å; E310-I317 HydrophobicContact CG-CD1 3.95Å; E310-I317 HydrophobicContact CG-CG1 3.86Å; E310-I317 PolarHBondContact OE1-N 3.27Å; I317-L331 HydrophobicContact CG1-CD2 4.39Å; I317-L331 HydrophobicContact CG2-CD1 3.77Å; I317-L331 HydrophobicContact CG2-CD2 3.93Å; I317-L331 HydrophobicContact CG2-CG 3.8Å; I317-L344 HydrophobicContact CD1-CD1 3.88Å; I317-L344 HydrophobicContact CD1-CD2 3.82Å; I317-L344 HydrophobicContact CD1-CG 4.49Å; I317-L344 HydrophobicContact CG1-CD2 3.8Å
318	S	86.4	Confident	77.5	Confident	6 Å²	6	48 Å²	48	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.9	166.2	178.5	0	0	0	0	110.4	V332 S598	S318-V332 PolarHBondContact N-O 2.96Å; S318-V332 PolarHBondContact O-N 2.94Å; S318-S598 PolarHBondContact OG-OG 3.38Å
319	I	84.1	Confident	77.4	Confident	65 Å²	65	51.9 Å²	51.9	33%	0.333	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.6	-178	-73	173.3	0	0	0	108.1	F295 I299	F295-I319 HydrophobicContact CE1-CD1 4.13Å; F295-I319 HydrophobicContact CE1-CG1 4.42Å; F295-I319 HydrophobicContact CE1-CG2 3.75Å; F295-I319 HydrophobicContact CZ-CB 4.29Å; F295-I319 HydrophobicContact CZ-CD1 4.04Å; F295-I319 HydrophobicContact CZ-CG1 3.9Å; F295-I319 HydrophobicContact CZ-CG2 3.58Å; I299-I319 HydrophobicContact CD1-CD1 4.17Å; I299-I319 HydrophobicContact CG1-CD1 3.79Å
320	K	77.4	Confident	77	Confident	26 Å²	26	53.8 Å²	53.8	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.9	173.1	-72.4	-169.8	179.3	-175	0	110.3	P322 Y330 V332 L597 E600	K320-P322 WeakPolarHBondContact O-CD 3.48Å; K320-Y330 PolarHBondContact N-O 2.97Å; K320-Y330 PolarHBondContact O-N 3.43Å; K320-V332 HydrophobicContact CD-CG2 3.88Å; K320-V332 HydrophobicContact CG-CG2 3.98Å; K320-L597 WeakPolarHBondContact CE-O 3.42Å; K320-L597 PolarHBondContact NZ-O 3.47Å; K320-E600 PolarHBondContact NZ-O 2.87Å
321	Q	66.4	Low	77	Confident	164 Å²	164	53.4 Å²	53.4	77%	0.766	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-81.1	116.8	163.6	-58.4	-166.3	31.5	0	0	107.6
322	P	62.6	Low	77.1	Confident	32 Å²	32	53 Å²	53	21%	0.208	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.8	140.4	175.4	28.1	-31.1	0	0	0	110.6	K320 M324 W328 Y330	K320-P322 WeakPolarHBondContact O-CD 3.48Å; P322-M324 PolarHBondContact O-N 3.48Å; P322-W328 WeakPolarHBondContact CG-O 3.38Å; P322-Y330 HydrophobicContact CB-CD2 3.55Å; P322-Y330 HydrophobicContact CB-CE2 3.49Å; P322-Y330 VanDerWaalsContact CB-CE2 3.49Å; P322-Y330 HydrophobicContact CG-CD2 3.63Å; P322-Y330 HydrophobicContact CG-CE2 3.75Å
323	P	57.4	Low	77.2	Confident	109 Å²	109	53 Å²	53	71%	0.708	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.8	175.8	25.9	-33	0	0	0	113.8
324	M	52.4	Low	77.2	Confident	180 Å²	180	52.6 Å²	52.6	89%	0.887	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	20.2	-162.6	-66.8	-65.2	-178.5	0	0	116	P322	P322-M324 PolarHBondContact O-N 3.48Å
325	S	61.1	Low	77.3	Confident	36 Å²	36	51.8 Å²	51.8	25%	0.252	25%	0.254	S	S	.	.			trans	-140.7	117.3	-176.9	150.9	0	0	0	0	114.4	W328	S325-W328 WeakPolarHBondContact OG-CA 3.41Å; S325-W328 WeakPolarHBondContact OG-CB 3.46Å; S325-W328 PolarHBondContact OG-N 3.37Å; S325-W328 PolarHBondContact OG-O 2.96Å
326	N	67.8	Low	76.9	Confident	129 Å²	129	58.7 Å²	58.7	69%	0.69	28%	0.28	S	S	*	.	S	Bend	trans	-78	-20.1	172.6	-82.3	-36.3	0	0	0	114.1	K292	K292-N326 WeakPolarHBondContact CD-O 3.47Å
327	Y	72.8	Confident	76.6	Confident	181 Å²	181	59.6 Å²	59.6	71%	0.71	29%	0.286	S	S	*	.	S	Bend	trans	-102.5	-29.9	-170.1	-65.7	-76.4	0	0	0	114.4	K292	K292-Y327 WeakPolarHBondContact CB-O 3.37Å; K292-Y327 PolarHBondContact N-O 2.87Å
328	W	76.7	Confident	76.2	Confident	27 Å²	27	62.1 Å²	62.1	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.9	-175.3	-55.9	94.6	0	0	0	111.5	T263 H265 A289 P291 P322 S325	T263-W328 VanDerWaalsContact O-CH2 3.24Å; T263-W328 WeakPolarHBondContact O-CH2 3.32Å; T263-W328 VanDerWaalsContact O-CZ3 3.26Å; T263-W328 WeakPolarHBondContact O-CZ3 3.2Å; H265-W328 AromaticContact CD2-CH2 3.49Å; H265-W328 VanDerWaalsContact CD2-CH2 3.49Å; H265-W328 WeakPolarHBondContact CD2-CH2 3.25Å; H265-W328 AromaticContact CD2-CZ3 3.64Å; H265-W328 AromaticContact NE2-CH2 3.51Å; H265-W328 AromaticContact NE2-CZ2 3.96Å; A289-W328 HydrophobicContact CB-CB 4.4Å; A289-W328 HydrophobicContact CB-CD2 4.41Å; A289-W328 HydrophobicContact CB-CE3 3.91Å; P291-W328 HydrophobicContact CB-CZ3 4.4Å; P291-W328 HydrophobicContact CG-CE3 4.08Å; P291-W328 HydrophobicContact CG-CH2 4.04Å; P291-W328 HydrophobicContact CG-CZ3 3.52Å; P322-W328 WeakPolarHBondContact CG-O 3.38Å; S325-W328 WeakPolarHBondContact OG-CA 3.41Å; S325-W328 WeakPolarHBondContact OG-CB 3.46Å; S325-W328 PolarHBondContact OG-N 3.37Å; S325-W328 PolarHBondContact OG-O 2.96Å
329	R	81.9	Confident	76	Confident	82 Å²	82	66.8 Å²	66.8	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.5	165.7	-76.7	-173.4	167.4	-173	-2.2	109.4	I290 F295	I290-R329 PolarHBondContact N-O 2.82Å; I290-R329 PolarHBondContact O-N 2.89Å; F295-R329 HydrophobicContact CD1-CB 4.25Å; F295-R329 HydrophobicContact CD1-CG 4.41Å; F295-R329 HydrophobicContact CD2-CB 3.57Å; F295-R329 HydrophobicContact CD2-CG 4.47Å; F295-R329 HydrophobicContact CE1-CB 4.21Å; F295-R329 HydrophobicContact CE2-CB 3.58Å; F295-R329 HydrophobicContact CG-CB 3.91Å; F295-R329 HydrophobicContact CG-CG 4.33Å; F295-R329 HydrophobicContact CZ-CB 3.9Å
330	Y	81.8	Confident	76.1	Confident	40 Å²	40	65 Å²	65	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130	-173.1	-66	-92.6	0	0	0	110.9	F267 T287 M288 A289 K320 P322 W605	F267-Y330 HydrophobicContact CE2-CD1 4.04Å; F267-Y330 AromaticContact CE2-CE1 3.63Å; F267-Y330 HydrophobicContact CE2-CE1 3.63Å; F267-Y330 AromaticContact CZ-CE1 3.82Å; F267-Y330 HydrophobicContact CZ-CE1 3.82Å; T287-Y330 HydrophobicContact CG2-CD1 4.45Å; M288-Y330 CarbonylContact O-C 3.59Å; M288-Y330 VanDerWaalsContact O-CA 3.27Å; M288-Y330 WeakPolarHBondContact O-CA 3.27Å; A289-Y330 HydrophobicContact CB-CD1 4.03Å; A289-Y330 HydrophobicContact CB-CE1 3.75Å; K320-Y330 PolarHBondContact N-O 2.97Å; K320-Y330 PolarHBondContact O-N 3.43Å; P322-Y330 HydrophobicContact CB-CD2 3.55Å; P322-Y330 HydrophobicContact CB-CE2 3.49Å; P322-Y330 VanDerWaalsContact CB-CE2 3.49Å; P322-Y330 HydrophobicContact CG-CD2 3.63Å; P322-Y330 HydrophobicContact CG-CE2 3.75Å; Y330-W605 HydrophobicContact CD1-CE3 4.11Å; Y330-W605 AromaticContact CD1-CH2 3.37Å; Y330-W605 HydrophobicContact CD1-CH2 3.37Å; Y330-W605 HydrophobicContact CD1-CZ2 4.33Å; Y330-W605 AromaticContact CD1-CZ3 3.27Å; Y330-W605 HydrophobicContact CD1-CZ3 3.27Å; Y330-W605 HydrophobicContact CE1-CD2 4.38Å; Y330-W605 AromaticContact CE1-CE3 3.69Å; Y330-W605 HydrophobicContact CE1-CE3 3.69Å; Y330-W605 AromaticContact CE1-CH2 3.76Å; Y330-W605 HydrophobicContact CE1-CH2 3.76Å; Y330-W605 HydrophobicContact CE1-CZ2 4.48Å; Y330-W605 AromaticContact CE1-CZ3 3.34Å; Y330-W605 HydrophobicContact CE1-CZ3 3.34Å; Y330-W605 AromaticContact CG-CH2 3.96Å; Y330-W605 HydrophobicContact CG-CH2 3.96Å; Y330-W605 HydrophobicContact CG-CZ3 4.29Å
331	L	87.1	Confident	76.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129	171.8	-171.1	155.9	0	0	0	108.3	T287 M288 I290 L298 I317 A333 I348	T287-L331 WeakPolarHBondContact CA-O 3.28Å; M288-L331 HydrophobicContact CE-CB 4.32Å; M288-L331 HydrophobicContact CE-CD2 3.32Å; M288-L331 HydrophobicContact CE-CG 4.23Å; M288-L331 PolarHBondContact N-O 2.96Å; M288-L331 PolarHBondContact O-N 3.39Å; I290-L331 HydrophobicContact CD1-CB 4.18Å; I290-L331 HydrophobicContact CD1-CD1 4.28Å; L298-L331 HydrophobicContact CD2-CD1 3.37Å; I317-L331 HydrophobicContact CG1-CD2 4.39Å; I317-L331 HydrophobicContact CG2-CD1 3.77Å; I317-L331 HydrophobicContact CG2-CD2 3.93Å; I317-L331 HydrophobicContact CG2-CG 3.8Å; L331-A333 HydrophobicContact CD2-CB 4.08Å; L331-I348 HydrophobicContact CD1-CD1 4.24Å
332	V	86.7	Confident	77.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.6	173.8	-166.9	0	0	0	0	107.8	K285 T287 S318 K320 L597	K285-V332 HydrophobicContact CD-CG1 3.98Å; K285-V332 HydrophobicContact CG-CG1 3.56Å; T287-V332 HydrophobicContact CG2-CG2 3.93Å; S318-V332 PolarHBondContact N-O 2.96Å; S318-V332 PolarHBondContact O-N 2.94Å; K320-V332 HydrophobicContact CD-CG2 3.88Å; K320-V332 HydrophobicContact CG-CG2 3.98Å; V332-L597 HydrophobicContact CG1-CD1 4.5Å; V332-L597 HydrophobicContact CG1-CD2 3.87Å
333	A	88.1	Confident	78.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.1	176.8	0	0	0	0	0	109.8	K285 K286 M288 L331 V341 L344	K285-A333 CarbonylContact C-O 3.54Å; K285-A333 WeakPolarHBondContact CA-O 3.34Å; K286-A333 PolarHBondContact N-O 3.07Å; K286-A333 PolarHBondContact O-N 3.39Å; M288-A333 HydrophobicContact CE-CB 4.36Å; L331-A333 HydrophobicContact CD2-CB 4.08Å; A333-V341 HydrophobicContact CB-CG1 3.92Å; A333-L344 HydrophobicContact CB-CD2 3.56Å
334	A	86.1	Confident	80.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.3	170.8	0	0	0	0	0	110.8	F283 I284 T315 V316 V593 L597	F283-A334 HydrophobicContact CD2-CB 3.76Å; F283-A334 HydrophobicContact CE2-CB 4.14Å; I284-A334 WeakPolarHBondContact O-CA 3.42Å; T315-A334 CarbonylContact C-O 3.53Å; T315-A334 VanDerWaalsContact CA-O 3.28Å; T315-A334 WeakPolarHBondContact CA-O 3.46Å; T315-A334 VanDerWaalsContact CB-O 3.26Å; T315-A334 WeakPolarHBondContact CB-O 3.36Å; V316-A334 HydrophobicContact CB-CB 4.44Å; V316-A334 PolarHBondContact N-O 3.39Å; V316-A334 PolarHBondContact O-N 3.13Å; A334-V593 HydrophobicContact CB-CG1 4.22Å; A334-L597 HydrophobicContact CB-CD1 3.82Å; A334-L597 HydrophobicContact CB-CD2 4.34Å
335	G	84.5	Confident	82.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	168.3	174.9	0	0	0	0	0	110.8	F283 I284 C337 W584	F283-G335 WeakPolarHBondContact CA-O 3.47Å; I284-G335 PolarHBondContact N-O 2.77Å; I284-G335 PolarHBondContact O-N 3.4Å; I284-G335 VanDerWaalsContact O-N 3.09Å; G335-C337 VanDerWaalsContact C-N 3.28Å; G335-C337 PolarHBondContact O-N 2.93Å; G335-W584 VanDerWaalsContact C-CZ3 3.49Å; G335-W584 VanDerWaalsContact CA-CZ3 3.45Å
336	R	78.2	Confident	83.4	Confident	148 Å²	148	44.3 Å²	44.3	56%	0.558	20%	0.199	S	C	*	.	S	Bend	trans	-66.8	-31.7	179.4	-165.6	178.3	177	163.2	1	112.3	E340 W584	R336-E340 WeakPolarHBondContact CA-OE2 3.14Å; R336-E340 WeakPolarHBondContact CB-OE2 3.41Å; R336-E340 PolarHBondContact N-OE2 2.74Å; R336-W584 HydrophobicContact CB-CB 4.28Å; R336-W584 HydrophobicContact CB-CD2 3.66Å; R336-W584 HydrophobicContact CB-CE3 4.16Å; R336-W584 HydrophobicContact CB-CG 3.61Å; R336-W584 HydrophobicContact CG-CD2 4.27Å; R336-W584 HydrophobicContact CG-CG 3.92Å; R336-W584 VanDerWaalsContact N-CE3 3.35Å
337	C	79.4	Confident	84.5	Confident	21 Å²	21	38.1 Å²	38.1	14%	0.142	17%	0.166	C	C	.	.	S	Bend	trans	-148.1	166.8	-177.7	66	0	0	0	0	111.7	L8 G335 F339 E340	L8-C337 HydrophobicContact CD2-CB 4.04Å; G335-C337 VanDerWaalsContact C-N 3.28Å; G335-C337 PolarHBondContact O-N 2.93Å; C337-F339 PolarHBondContact O-N 3.23Å; C337-E340 PolarHBondContact O-N 3Å
338	H	81.3	Confident	85.3	Confident	58 Å²	58	29.5 Å²	29.5	27%	0.269	13%	0.132	S	C	.	.	H	α-helix	trans	-60.4	-29.5	-179.6	-59.1	-96.2	0	0	0	111.9	E270 I284 N342	E270-H338 VanDerWaalsContact CD-CE1 3.42Å; E270-H338 VanDerWaalsContact CD-ND1 3.35Å; E270-H338 IonicContact OE1-CE1 3.73Å; E270-H338 PolarHBondContact OE1-CE1 3.12Å; E270-H338 IonicContact OE1-ND1 2.63Å; E270-H338 PolarHBondContact OE1-ND1 3.33Å; E270-H338 IonicContact OE2-CE1 2.71Å; E270-H338 PolarHBondContact OE2-CE1 3.4Å; E270-H338 IonicContact OE2-ND1 3.78Å; E270-H338 PolarHBondContact OE2-ND1 3.1Å; I284-H338 WeakPolarHBondContact CD1-CD2 3.08Å; I284-H338 VanDerWaalsContact CD1-NE2 3.27Å; I284-H338 WeakPolarHBondContact CD1-NE2 3.3Å; H338-N342 WeakPolarHBondContact O-CB 3.36Å; H338-N342 PolarHBondContact O-N 2.86Å; H338-N342 PolarHBondContact O-ND2 3.13Å; H338-N342 PolarHBondContact O-OD1 3.24Å
339	F	83	Confident	85.9	Confident	104 Å²	104	30.3 Å²	30.3	46%	0.456	14%	0.137	S	C	.	.	H	α-helix	trans	-61.1	-52.2	-180	-177.5	-111	0	0	0	112	C337 V341 N342 N343	C337-F339 PolarHBondContact O-N 3.23Å; F339-V341 PolarHBondContact O-N 3.36Å; F339-N342 PolarHBondContact O-N 3.25Å; F339-N343 VanDerWaalsContact CD1-ND2 3.3Å; F339-N343 WeakPolarHBondContact CD1-ND2 3.42Å; F339-N343 WeakPolarHBondContact CE1-ND2 3.32Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.44Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.34Å; F339-N343 WeakPolarHBondContact O-CB 3.23Å; F339-N343 PolarHBondContact O-N 2.92Å; F339-N343 PolarHBondContact O-ND2 3.45Å; F339-N343 VanDerWaalsContact O-ND2 3.13Å; F339-N343 PolarHBondContact O-OD1 2.86Å
340	E	85.5	Confident	86.3	Confident	27 Å²	27	26.5 Å²	26.5	13%	0.126	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-47.1	178	-68.2	175.2	158.6	0	0	111.9	N314 T315 R336 C337 N343 L344	N314-E340 HydrophobicContact CB-CG 4.41Å; N314-E340 PolarHBondContact ND2-OE1 3.3Å; T315-E340 HydrophobicContact CG2-CB 4.02Å; R336-E340 WeakPolarHBondContact CA-OE2 3.14Å; R336-E340 WeakPolarHBondContact CB-OE2 3.41Å; R336-E340 PolarHBondContact N-OE2 2.74Å; C337-E340 PolarHBondContact O-N 3Å; E340-N343 PolarHBondContact O-N 3.41Å; E340-L344 PolarHBondContact O-N 3.45Å
341	V	86.7	Confident	86.7	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.3	-38.9	-179.5	-170.2	0	0	0	0	111.8	K286 A333 F339 L344 I345	K286-V341 HydrophobicContact CB-CG1 3.81Å; K286-V341 HydrophobicContact CD-CG1 3.78Å; K286-V341 HydrophobicContact CG-CG1 3.79Å; A333-V341 HydrophobicContact CB-CG1 3.92Å; F339-V341 PolarHBondContact O-N 3.36Å; V341-L344 PolarHBondContact O-N 3.39Å; V341-I345 HydrophobicContact CG1-CD1 4.29Å; V341-I345 VanDerWaalsContact O-CG1 3.28Å; V341-I345 WeakPolarHBondContact O-CG1 3.39Å; V341-I345 PolarHBondContact O-N 2.97Å
342	N	86.6	Confident	86.8	Confident	62 Å²	62	25.5 Å²	25.5	33%	0.332	12%	0.12	S	C	.	.	H	α-helix	trans	-67.7	-36.1	175.3	-70.5	-16.7	0	0	0	111.6	K286 H338 F339 I345 S346	K286-N342 PolarHBondContact NZ-OD1 2.9Å; H338-N342 WeakPolarHBondContact O-CB 3.36Å; H338-N342 PolarHBondContact O-N 2.86Å; H338-N342 PolarHBondContact O-ND2 3.13Å; H338-N342 PolarHBondContact O-OD1 3.24Å; F339-N342 PolarHBondContact O-N 3.25Å; N342-I345 PolarHBondContact O-N 2.84Å; N342-S346 PolarHBondContact O-N 3.44Å; N342-S346 PolarHBondContact O-OG 2.86Å; N342-S346 VanDerWaalsContact O-OG 3.13Å
343	N	89	Confident	86.8	Confident	9 Å²	9	27.4 Å²	27.4	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-67.4	-37.4	175.7	-66.6	-20.5	0	0	0	111.4	F339 E340 S346 L347 H539 I541	F339-N343 VanDerWaalsContact CD1-ND2 3.3Å; F339-N343 WeakPolarHBondContact CD1-ND2 3.42Å; F339-N343 WeakPolarHBondContact CE1-ND2 3.32Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.44Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.34Å; F339-N343 WeakPolarHBondContact O-CB 3.23Å; F339-N343 PolarHBondContact O-N 2.92Å; F339-N343 PolarHBondContact O-ND2 3.45Å; F339-N343 VanDerWaalsContact O-ND2 3.13Å; F339-N343 PolarHBondContact O-OD1 2.86Å; E340-N343 PolarHBondContact O-N 3.41Å; N343-S346 PolarHBondContact O-N 3Å; N343-L347 WeakPolarHBondContact O-CB 3.22Å; N343-L347 PolarHBondContact O-N 3.25Å; N343-H539 HydrophobicContact CB-CB 4.26Å; N343-H539 PolarHBondContact ND2-O 3.04Å; N343-H539 WeakPolarHBondContact OD1-CB 3.33Å; N343-H539 PolarHBondContact OD1-ND1 2.84Å; N343-I541 HydrophobicContact CB-CD1 3.98Å
344	L	90.4	Very high	86.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-46.9	168	178.3	69.6	0	0	0	112.1	L309 T313 T315 I317 A333 E340 V341 S346 L347 I348	L309-L344 HydrophobicContact CB-CD1 3.86Å; L309-L344 HydrophobicContact CD2-CD1 4.32Å; L309-L344 HydrophobicContact CG-CD1 4.48Å; T313-L344 HydrophobicContact CG2-CB 4.03Å; T313-L344 HydrophobicContact CG2-CD1 4.11Å; T315-L344 HydrophobicContact CG2-CB 4.17Å; T315-L344 HydrophobicContact CG2-CD2 4.45Å; I317-L344 HydrophobicContact CD1-CD1 3.88Å; I317-L344 HydrophobicContact CD1-CD2 3.82Å; I317-L344 HydrophobicContact CD1-CG 4.49Å; I317-L344 HydrophobicContact CG1-CD2 3.8Å; A333-L344 HydrophobicContact CB-CD2 3.56Å; E340-L344 PolarHBondContact O-N 3.45Å; V341-L344 PolarHBondContact O-N 3.39Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.32Å; L344-L347 PolarHBondContact O-N 3.46Å; L344-I348 HydrophobicContact CD1-CD1 3.84Å; L344-I348 HydrophobicContact CD1-CG1 4.04Å; L344-I348 HydrophobicContact CD2-CD1 4.21Å; L344-I348 HydrophobicContact CG-CD1 3.77Å; L344-I348 HydrophobicContact CG-CG1 4.29Å; L344-I348 WeakPolarHBondContact O-CB 3.43Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.23Å
345	I	88.9	Confident	86.8	Confident	11 Å²	11	31.5 Å²	31.5	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-57.8	-45.1	177.4	-69.1	162.1	0	0	0	110.6	F264 V266 K286 M288 V341 N342 I348 H349 F613	F264-I345 HydrophobicContact CE2-CG2 4.34Å; F264-I345 HydrophobicContact CZ-CG2 4.34Å; V266-I345 HydrophobicContact CG1-CD1 4.06Å; V266-I345 HydrophobicContact CG2-CG2 4.1Å; K286-I345 HydrophobicContact CD-CD1 3.57Å; M288-I345 HydrophobicContact CE-CG1 4.42Å; M288-I345 HydrophobicContact SD-CG1 3.67Å; V341-I345 HydrophobicContact CG1-CD1 4.29Å; V341-I345 VanDerWaalsContact O-CG1 3.28Å; V341-I345 WeakPolarHBondContact O-CG1 3.39Å; V341-I345 PolarHBondContact O-N 2.97Å; N342-I345 PolarHBondContact O-N 2.84Å; I345-I348 PolarHBondContact O-N 2.85Å; I345-H349 WeakPolarHBondContact O-CB 3.11Å; I345-H349 PolarHBondContact O-N 3.16Å; I345-F613 HydrophobicContact CG2-CE2 4.49Å; I345-F613 HydrophobicContact CG2-CZ 4.42Å
346	S	89.1	Confident	86.8	Confident	31 Å²	31	32.1 Å²	32.1	22%	0.217	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-43.3	176.5	-65.6	0	0	0	0	112.6	N342 N343 L344 H349 F350 H539	N342-S346 PolarHBondContact O-N 3.44Å; N342-S346 PolarHBondContact O-OG 2.86Å; N342-S346 VanDerWaalsContact O-OG 3.13Å; N343-S346 PolarHBondContact O-N 3Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.32Å; S346-H349 PolarHBondContact O-N 3.19Å; S346-F350 WeakPolarHBondContact O-CB 3.47Å; S346-F350 PolarHBondContact O-N 2.7Å; S346-H539 PolarHBondContact OG-CE1 3.4Å; S346-H539 VanDerWaalsContact OG-CE1 3.25Å
347	L	90.5	Very high	87.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.3	-41.9	178.3	-176.8	57.2	0	0	0	111.6	L309 L312 T313 N343 L344 F350 L351 F358 L535 I541	L309-L347 HydrophobicContact CD2-CD2 3.4Å; L309-L347 HydrophobicContact CD2-CG 3.62Å; L312-L347 HydrophobicContact CB-CD2 4.33Å; L312-L347 HydrophobicContact CD1-CD2 3.96Å; T313-L347 HydrophobicContact CG2-CD2 3.97Å; N343-L347 WeakPolarHBondContact O-CB 3.22Å; N343-L347 PolarHBondContact O-N 3.25Å; L344-L347 PolarHBondContact O-N 3.46Å; L347-F350 HydrophobicContact CD1-CD1 4.41Å; L347-F350 PolarHBondContact O-N 3.16Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.42Å; L347-F358 HydrophobicContact CD1-CE2 4.27Å; L347-L535 HydrophobicContact CD1-CD1 4.12Å; L347-I541 HydrophobicContact CB-CD1 4.38Å; L347-I541 HydrophobicContact CD2-CD1 4.23Å; L347-I541 HydrophobicContact CD2-CG2 4.07Å
348	I	90.7	Very high	87.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-45.6	173.3	-71.9	177.6	0	0	0	110.6	M288 I290 L298 L309 L331 L344 I345 F350 L351 L352	M288-I348 HydrophobicContact CE-CD1 3.77Å; I290-I348 HydrophobicContact CD1-CG2 4.22Å; L298-I348 HydrophobicContact CD1-CB 4.4Å; L298-I348 HydrophobicContact CD1-CD1 4.44Å; L298-I348 HydrophobicContact CD1-CG1 4.07Å; L298-I348 HydrophobicContact CD1-CG2 3.78Å; L309-I348 HydrophobicContact CD1-CG1 4.09Å; L331-I348 HydrophobicContact CD1-CD1 4.24Å; L344-I348 HydrophobicContact CD1-CD1 3.84Å; L344-I348 HydrophobicContact CD1-CG1 4.04Å; L344-I348 HydrophobicContact CD2-CD1 4.21Å; L344-I348 HydrophobicContact CG-CD1 3.77Å; L344-I348 HydrophobicContact CG-CG1 4.29Å; L344-I348 WeakPolarHBondContact O-CB 3.43Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.23Å; I345-I348 PolarHBondContact O-N 2.85Å; I348-F350 VanDerWaalsContact C-N 3.32Å; I348-F350 PolarHBondContact O-N 2.84Å; I348-L351 PolarHBondContact O-N 3Å; I348-L352 HydrophobicContact CG2-CD1 3.7Å; I348-L352 HydrophobicContact CG2-CG 4.35Å; I348-L352 WeakPolarHBondContact O-CB 3.2Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.39Å
349	H	88.7	Confident	87.5	Confident	43 Å²	43	27 Å²	27	20%	0.199	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-46.2	175.5	176.9	-143.5	0	0	0	111.4	F264 I345 S346 L352 K353	F264-H349 HydrophobicContact CE1-CB 3.74Å; F264-H349 AromaticContact CE1-CD2 3.63Å; F264-H349 AromaticContact CE1-CG 3.84Å; F264-H349 HydrophobicContact CZ-CB 3.83Å; I345-H349 WeakPolarHBondContact O-CB 3.11Å; I345-H349 PolarHBondContact O-N 3.16Å; S346-H349 PolarHBondContact O-N 3.19Å; H349-L352 PolarHBondContact O-N 3.13Å; H349-K353 WeakPolarHBondContact O-CB 3.45Å; H349-K353 PolarHBondContact O-N 2.88Å
350	F	90.2	Very high	87.3	Confident	3 Å²	3	22.6 Å²	22.6	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-49.8	177.3	169.2	-94.9	0	0	0	112.8	S346 L347 I348 L352 K353 Y354 V356 C528 E531 F532 L535	S346-F350 WeakPolarHBondContact O-CB 3.47Å; S346-F350 PolarHBondContact O-N 2.7Å; L347-F350 HydrophobicContact CD1-CD1 4.41Å; L347-F350 PolarHBondContact O-N 3.16Å; I348-F350 VanDerWaalsContact C-N 3.32Å; I348-F350 PolarHBondContact O-N 2.84Å; F350-L352 VanDerWaalsContact C-N 3.26Å; F350-L352 PolarHBondContact O-N 3.12Å; F350-K353 PolarHBondContact O-N 3.4Å; F350-Y354 AromaticContact CD2-CD2 3.51Å; F350-Y354 HydrophobicContact CD2-CD2 3.51Å; F350-Y354 AromaticContact CD2-CE2 3.83Å; F350-Y354 HydrophobicContact CD2-CE2 3.83Å; F350-Y354 AromaticContact CE2-CD2 3.53Å; F350-Y354 HydrophobicContact CE2-CD2 3.53Å; F350-Y354 AromaticContact CE2-CE2 3.91Å; F350-Y354 HydrophobicContact CE2-CE2 3.91Å; F350-Y354 HydrophobicContact CE2-CG 4.34Å; F350-Y354 HydrophobicContact CG-CD2 4.32Å; F350-Y354 HydrophobicContact CZ-CD2 4.36Å; F350-Y354 PolarHBondContact O-N 3.41Å; F350-V356 HydrophobicContact CE1-CG2 4.36Å; F350-C528 WeakPolarHBondContact CE2-O 3.4Å; F350-E531 HydrophobicContact CD2-CB 4.01Å; F350-E531 HydrophobicContact CE2-CB 4.04Å; F350-F532 AromaticContact CE1-CD1 3.95Å; F350-F532 HydrophobicContact CE1-CD1 3.95Å; F350-F532 HydrophobicContact CE1-CE1 4.28Å; F350-F532 HydrophobicContact CE1-CG 4.14Å; F350-F532 HydrophobicContact CE2-CB 4.09Å; F350-F532 HydrophobicContact CZ-CB 3.74Å; F350-F532 AromaticContact CZ-CD1 3.62Å; F350-F532 HydrophobicContact CZ-CD1 3.62Å; F350-F532 HydrophobicContact CZ-CE1 4.38Å; F350-F532 AromaticContact CZ-CG 3.75Å; F350-F532 HydrophobicContact CZ-CG 3.75Å; F350-L535 HydrophobicContact CB-CD1 3.58Å; F350-L535 HydrophobicContact CD1-CD1 3.73Å; F350-L535 HydrophobicContact CD2-CD1 3.73Å; F350-L535 HydrophobicContact CE1-CD1 4.36Å; F350-L535 HydrophobicContact CE2-CD1 4.36Å; F350-L535 HydrophobicContact CG-CD1 3.38Å
351	L	90.6	Very high	87	Confident	9 Å²	9	28.6 Å²	28.6	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-56.7	-42.2	177.9	-70.2	-176.2	0	0	0	111.6	L309 L347 I348 N355 V356 F358	L309-L351 HydrophobicContact CD1-CD1 4.29Å; L309-L351 HydrophobicContact CD2-CD1 3.89Å; L309-L351 HydrophobicContact CG-CD1 4.47Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.42Å; I348-L351 PolarHBondContact O-N 3Å; L351-N355 CarbonylContact O-C 3.16Å; L351-N355 WeakPolarHBondContact O-CA 3.46Å; L351-N355 PolarHBondContact O-N 2.92Å; L351-V356 HydrophobicContact CD2-CB 3.79Å; L351-V356 HydrophobicContact CD2-CG1 3.79Å; L351-V356 PolarHBondContact O-N 3.43Å; L351-F358 HydrophobicContact CD1-CD2 4.12Å; L351-F358 HydrophobicContact CD1-CE2 4.34Å; L351-F358 HydrophobicContact CD2-CD1 4.04Å; L351-F358 HydrophobicContact CD2-CD2 3.9Å; L351-F358 HydrophobicContact CD2-CE1 3.87Å; L351-F358 HydrophobicContact CD2-CE2 3.73Å; L351-F358 HydrophobicContact CD2-CG 4.05Å; L351-F358 HydrophobicContact CD2-CZ 3.7Å; L351-F358 HydrophobicContact CG-CE2 4.46Å
352	L	88.4	Confident	86.9	Confident	10 Å²	10	30.5 Å²	30.5	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-75.7	-36.1	-178.9	-62.4	178.1	0	0	0	112.9	I290 Y294 L298 I348 H349 F350 M615	I290-L352 HydrophobicContact CG2-CD1 4.12Å; Y294-L352 HydrophobicContact CD1-CD2 4.21Å; Y294-L352 HydrophobicContact CG-CD2 3.88Å; L298-L352 HydrophobicContact CD1-CD1 4.49Å; L298-L352 HydrophobicContact CD1-CD2 4.4Å; I348-L352 HydrophobicContact CG2-CD1 3.7Å; I348-L352 HydrophobicContact CG2-CG 4.35Å; I348-L352 WeakPolarHBondContact O-CB 3.2Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.39Å; H349-L352 PolarHBondContact O-N 3.13Å; F350-L352 VanDerWaalsContact C-N 3.26Å; F350-L352 PolarHBondContact O-N 3.12Å; L352-M615 HydrophobicContact CB-CE 3.58Å; L352-M615 HydrophobicContact CB-SD 3.83Å; L352-M615 HydrophobicContact CD1-CE 3.58Å; L352-M615 HydrophobicContact CG-CE 4.16Å
353	K	87.4	Confident	86.8	Confident	40 Å²	40	27.6 Å²	27.6	17%	0.174	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-45.9	177.4	172.5	175.8	174.9	-173.4	0	112.6	H349 F350 E531 P616	H349-K353 WeakPolarHBondContact O-CB 3.45Å; H349-K353 PolarHBondContact O-N 2.88Å; F350-K353 PolarHBondContact O-N 3.4Å; K353-E531 IonicContact NZ-OE1 2.73Å; K353-E531 PolarHBondContact NZ-OE1 2.69Å; K353-E531 IonicContact NZ-OE2 2.89Å; K353-E531 PolarHBondContact NZ-OE2 2.93Å; K353-P616 HydrophobicContact CG-CG 3.75Å
354	Y	87.6	Confident	86.3	Confident	21 Å²	21	27.6 Å²	27.6	8%	0.082	14%	0.136	C	C	.	.	H	α-helix	trans	-92.1	-10.6	179.9	-70	-76.9	0	0	0	113.5	F350 K524 E527 C528 E531	F350-Y354 AromaticContact CD2-CD2 3.51Å; F350-Y354 HydrophobicContact CD2-CD2 3.51Å; F350-Y354 AromaticContact CD2-CE2 3.83Å; F350-Y354 HydrophobicContact CD2-CE2 3.83Å; F350-Y354 AromaticContact CE2-CD2 3.53Å; F350-Y354 HydrophobicContact CE2-CD2 3.53Å; F350-Y354 AromaticContact CE2-CE2 3.91Å; F350-Y354 HydrophobicContact CE2-CE2 3.91Å; F350-Y354 HydrophobicContact CE2-CG 4.34Å; F350-Y354 HydrophobicContact CG-CD2 4.32Å; F350-Y354 HydrophobicContact CZ-CD2 4.36Å; F350-Y354 PolarHBondContact O-N 3.41Å; Y354-K524 HydrophobicContact CD1-CG 4.21Å; Y354-K524 HydrophobicContact CE1-CG 4.12Å; Y354-E527 HydrophobicContact CE1-CB 4.4Å; Y354-C528 HydrophobicContact CD1-CB 3.47Å; Y354-C528 VanDerWaalsContact CD1-CB 3.47Å; Y354-C528 HydrophobicContact CE1-CB 3.7Å; Y354-C528 HydrophobicContact CG-CB 3.94Å; Y354-E531 HydrophobicContact CE2-CB 4.21Å; Y354-E531 WeakPolarHBondContact CE2-OE2 3.4Å; Y354-E531 VanDerWaalsContact OH-CD 3.27Å; Y354-E531 PolarHBondContact OH-OE1 2.91Å
355	N	85.5	Confident	85.8	Confident	64 Å²	64	29.7 Å²	29.7	34%	0.342	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	51.3	-174.7	-169.9	91	0	0	0	110.8	R297 L351	R297-N355 VanDerWaalsContact CZ-OD1 3.29Å; R297-N355 PolarHBondContact NE-OD1 3.28Å; R297-N355 PolarHBondContact NH1-ND2 3.46Å; R297-N355 PolarHBondContact NH1-OD1 2.77Å; L351-N355 CarbonylContact O-C 3.16Å; L351-N355 WeakPolarHBondContact O-CA 3.46Å; L351-N355 PolarHBondContact O-N 2.92Å
356	V	86.1	Confident	85.5	Confident	13 Å²	13	30 Å²	30	8%	0.079	15%	0.153	C	C	.	.			trans	-91.1	123.6	177.8	173.9	0	0	0	0	108.6	F350 L351 F358 F497	F350-V356 HydrophobicContact CE1-CG2 4.36Å; L351-V356 HydrophobicContact CD2-CB 3.79Å; L351-V356 HydrophobicContact CD2-CG1 3.79Å; L351-V356 PolarHBondContact O-N 3.43Å; V356-F358 HydrophobicContact CG1-CD1 3.72Å; V356-F358 HydrophobicContact CG1-CE1 3.64Å; V356-F497 HydrophobicContact CG1-CB 3.92Å; V356-F497 HydrophobicContact CG1-CD1 3.76Å; V356-F497 HydrophobicContact CG1-CE1 4.49Å; V356-F497 HydrophobicContact CG1-CG 3.89Å
357	D	85.1	Confident	85	Confident	75 Å²	75	28.7 Å²	28.7	40%	0.401	14%	0.143	S	C	.	.			trans	-101.5	99.9	178.3	-60.7	-39.6	0	0	0	109.6	R297 D359 F497	R297-D357 WeakPolarHBondContact CD-OD1 3.33Å; R297-D357 WeakPolarHBondContact CG-OD1 3.28Å; R297-D357 IonicContact CZ-OD1 3.64Å; R297-D357 IonicContact CZ-OD2 3.12Å; R297-D357 IonicContact NH1-OD1 3.95Å; R297-D357 PolarHBondContact NH1-OD1 3.18Å; R297-D357 IonicContact NH1-OD2 3.14Å; R297-D357 PolarHBondContact NH1-OD2 3.41Å; D357-D359 PolarHBondContact O-N 3.13Å; D357-F497 VanDerWaalsContact O-CE1 3.29Å; D357-F497 WeakPolarHBondContact O-CE1 3.46Å
358	F	84.5	Confident	84.1	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.153	C	C	.	.			trans	-73	95.6	175	-75.9	-13	0	0	0	111.3	T305 I308 L312 L347 L351 V356 I363 F497 F532 F543	T305-F358 HydrophobicContact CG2-CB 4.08Å; T305-F358 PolarHBondContact OG1-O 3.14Å; I308-F358 HydrophobicContact CD1-CB 4.44Å; I308-F358 HydrophobicContact CG2-CD2 4.02Å; L312-F358 HydrophobicContact CD1-CE2 4.22Å; L347-F358 HydrophobicContact CD1-CE2 4.27Å; L351-F358 HydrophobicContact CD1-CD2 4.12Å; L351-F358 HydrophobicContact CD1-CE2 4.34Å; L351-F358 HydrophobicContact CD2-CD1 4.04Å; L351-F358 HydrophobicContact CD2-CD2 3.9Å; L351-F358 HydrophobicContact CD2-CE1 3.87Å; L351-F358 HydrophobicContact CD2-CE2 3.73Å; L351-F358 HydrophobicContact CD2-CG 4.05Å; L351-F358 HydrophobicContact CD2-CZ 3.7Å; L351-F358 HydrophobicContact CG-CE2 4.46Å; V356-F358 HydrophobicContact CG1-CD1 3.72Å; V356-F358 HydrophobicContact CG1-CE1 3.64Å; F358-I363 HydrophobicContact CB-CD1 4.41Å; F358-F497 HydrophobicContact CD1-CD1 4.43Å; F358-F497 HydrophobicContact CD1-CD2 4Å; F358-F497 HydrophobicContact CD1-CE1 4.2Å; F358-F497 AromaticContact CD1-CE2 3.74Å; F358-F497 HydrophobicContact CD1-CE2 3.74Å; F358-F497 HydrophobicContact CD1-CG 4.35Å; F358-F497 AromaticContact CD1-CZ 3.85Å; F358-F497 HydrophobicContact CD1-CZ 3.85Å; F358-F497 AromaticContact CE1-CD2 3.85Å; F358-F497 HydrophobicContact CE1-CD2 3.85Å; F358-F497 AromaticContact CE1-CE2 4Å; F358-F497 HydrophobicContact CE1-CE2 4Å; F358-F497 HydrophobicContact CE1-CG 4.26Å; F358-F532 HydrophobicContact CE1-CE1 4.17Å; F358-F532 AromaticContact CE1-CZ 3.91Å; F358-F532 HydrophobicContact CE1-CZ 3.91Å; F358-F532 HydrophobicContact CZ-CE1 4.36Å; F358-F532 HydrophobicContact CZ-CE2 4.46Å; F358-F532 AromaticContact CZ-CZ 3.77Å; F358-F532 HydrophobicContact CZ-CZ 3.77Å; F358-F543 HydrophobicContact CE2-CE1 4.45Å; F358-F543 AromaticContact CE2-CZ 3.89Å; F358-F543 HydrophobicContact CE2-CZ 3.89Å; F358-F543 HydrophobicContact CZ-CE1 4.3Å; F358-F543 AromaticContact CZ-CZ 3.69Å; F358-F543 HydrophobicContact CZ-CZ 3.69Å
359	D	82.2	Confident	83.2	Confident	45 Å²	45	36.3 Å²	36.3	24%	0.241	18%	0.178	C	C	.	.			trans	-92.2	127.6	167.7	-176.2	5.5	0	0	0	111.2	D357 R361 T362 I363	D357-D359 PolarHBondContact O-N 3.13Å; D359-R361 VanDerWaalsContact C-N 3.26Å; D359-R361 PolarHBondContact O-N 3.47Å; D359-R361 PolarHBondContact OD1-N 3.47Å; D359-T362 WeakPolarHBondContact O-CB 3.41Å; D359-T362 PolarHBondContact O-N 3.33Å; D359-I363 WeakPolarHBondContact O-CG1 3.46Å; D359-I363 PolarHBondContact O-N 3.24Å
360	V	80	Confident	81.8	Confident	10 Å²	10	37.5 Å²	37.5	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-50.5	-45.7	169.5	165.9	0	0	0	0	111.2	T304 I308 T362 I363 S364 F573	T304-V360 HydrophobicContact CG2-CG2 4.04Å; I308-V360 HydrophobicContact CD1-CG2 3.53Å; I308-V360 HydrophobicContact CG1-CG2 4.12Å; V360-T362 VanDerWaalsContact C-N 3.27Å; V360-T362 PolarHBondContact O-N 3.45Å; V360-I363 PolarHBondContact O-N 3.49Å; V360-S364 WeakPolarHBondContact O-CB 3.39Å; V360-S364 PolarHBondContact O-N 2.68Å; V360-S364 PolarHBondContact O-OG 2.83Å; V360-F573 HydrophobicContact CB-CD2 4.37Å; V360-F573 HydrophobicContact CG1-CB 4.17Å; V360-F573 HydrophobicContact CG1-CD2 3.41Å; V360-F573 VanDerWaalsContact CG1-CD2 3.41Å; V360-F573 HydrophobicContact CG1-CE2 4.08Å; V360-F573 HydrophobicContact CG1-CG 4.09Å; V360-F573 HydrophobicContact CG2-CD2 3.96Å; V360-F573 HydrophobicContact CG2-CE2 4.3Å; V360-F573 HydrophobicContact CG2-CG 4.18Å
361	R	79.2	Confident	80	Confident	153 Å²	153	39.5 Å²	39.5	58%	0.577	20%	0.198	S	C	*	.	H	α-helix	trans	-62.6	-38.5	-175.7	-70.4	175.4	161.9	176	-7.8	111.6	D359 S365 E570	D359-R361 VanDerWaalsContact C-N 3.26Å; D359-R361 PolarHBondContact O-N 3.47Å; D359-R361 PolarHBondContact OD1-N 3.47Å; R361-S365 VanDerWaalsContact O-CB 3.23Å; R361-S365 WeakPolarHBondContact O-CB 3.37Å; R361-S365 PolarHBondContact O-N 3.38Å; R361-E570 IonicContact CZ-OE1 2.68Å; R361-E570 IonicContact NE-OE1 2.83Å; R361-E570 PolarHBondContact NE-OE1 2.94Å; R361-E570 IonicContact NH2-OE1 2.86Å; R361-E570 PolarHBondContact NH2-OE1 3.18Å
362	T	84.1	Confident	78.1	Confident	40 Å²	40	45 Å²	45	25%	0.245	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-50.4	174.5	-63.2	0	0	0	0	111.5	D359 V360 S364 S365 I366 H496 F497	D359-T362 WeakPolarHBondContact O-CB 3.41Å; D359-T362 PolarHBondContact O-N 3.33Å; V360-T362 VanDerWaalsContact C-N 3.27Å; V360-T362 PolarHBondContact O-N 3.45Å; T362-S364 PolarHBondContact O-N 3.11Å; T362-S365 PolarHBondContact O-N 3.12Å; T362-S365 VanDerWaalsContact O-N 3.16Å; T362-I366 HydrophobicContact CG2-CD1 3.94Å; T362-I366 WeakPolarHBondContact O-CD1 3.47Å; T362-I366 VanDerWaalsContact O-CG1 3.3Å; T362-I366 WeakPolarHBondContact O-CG1 3.43Å; T362-I366 PolarHBondContact O-N 3.16Å; T362-H496 VanDerWaalsContact CG2-CD2 3.46Å; T362-H496 WeakPolarHBondContact CG2-CD2 3.23Å; T362-H496 WeakPolarHBondContact CG2-NE2 3.32Å; T362-F497 HydrophobicContact CG2-CE1 4.26Å; T362-F497 HydrophobicContact CG2-CZ 4.04Å
363	I	84.3	Confident	75.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-48.3	178.5	-66.2	165.9	0	0	0	110.6	I308 F358 D359 V360 S365 I366 C367 I493 F497 I546 L550	I308-I363 HydrophobicContact CD1-CD1 3.83Å; F358-I363 HydrophobicContact CB-CD1 4.41Å; D359-I363 WeakPolarHBondContact O-CG1 3.46Å; D359-I363 PolarHBondContact O-N 3.24Å; V360-I363 PolarHBondContact O-N 3.49Å; I363-S365 PolarHBondContact O-N 3.04Å; I363-I366 PolarHBondContact O-N 2.86Å; I363-C367 PolarHBondContact O-N 2.91Å; I363-C367 PolarHBondContact O-SG 2.97Å; I363-I493 HydrophobicContact CG2-CD1 4.02Å; I363-F497 HydrophobicContact CD1-CE2 4.36Å; I363-F497 HydrophobicContact CD1-CZ 4.46Å; I363-F497 HydrophobicContact CG1-CE2 3.84Å; I363-F497 HydrophobicContact CG1-CZ 3.97Å; I363-I546 HydrophobicContact CG2-CG2 4.16Å; I363-L550 HydrophobicContact CG2-CD1 3.86Å
364	S	79.9	Confident	73.3	Confident	9 Å²	9	55.6 Å²	55.6	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-46	173.6	-60.6	0	0	0	0	111.7	V360 T362 I366 C367 L368 L550	V360-S364 WeakPolarHBondContact O-CB 3.39Å; V360-S364 PolarHBondContact O-N 2.68Å; V360-S364 PolarHBondContact O-OG 2.83Å; T362-S364 PolarHBondContact O-N 3.11Å; S364-I366 VanDerWaalsContact C-N 3.29Å; S364-I366 PolarHBondContact O-N 3.15Å; S364-C367 PolarHBondContact O-N 3.18Å; S364-L368 WeakPolarHBondContact O-CB 3.32Å; S364-L368 WeakPolarHBondContact O-CD1 3.34Å; S364-L368 WeakPolarHBondContact O-CG 3.44Å; S364-L368 PolarHBondContact O-N 3.03Å; S364-L550 WeakPolarHBondContact OG-CD2 3.37Å
365	S	79.5	Confident	70.8	Confident	44 Å²	44	59 Å²	59	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-37.9	178.5	-167.4	0	0	0	0	112.5	R361 T362 I363 K369	R361-S365 VanDerWaalsContact O-CB 3.23Å; R361-S365 WeakPolarHBondContact O-CB 3.37Å; R361-S365 PolarHBondContact O-N 3.38Å; T362-S365 PolarHBondContact O-N 3.12Å; T362-S365 VanDerWaalsContact O-N 3.16Å; I363-S365 PolarHBondContact O-N 3.04Å; S365-K369 VanDerWaalsContact O-CB 3.27Å; S365-K369 WeakPolarHBondContact O-CB 3.29Å; S365-K369 VanDerWaalsContact O-CD 3.31Å; S365-K369 WeakPolarHBondContact O-CD 3.45Å; S365-K369 WeakPolarHBondContact O-CG 3.45Å; S365-K369 PolarHBondContact O-N 3.26Å; S365-K369 WeakPolarHBondContact OG-CE 3.38Å; S365-K369 PolarHBondContact OG-NZ 2.97Å
366	I	82.1	Confident	68.3	Low	18 Å²	18	62.9 Å²	62.9	9%	0.092	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-53.3	176.2	-64.7	158.8	0	0	0	110.3	T362 I363 S364 L368 K369 L370 A492 I493 H496	T362-I366 HydrophobicContact CG2-CD1 3.94Å; T362-I366 WeakPolarHBondContact O-CD1 3.47Å; T362-I366 VanDerWaalsContact O-CG1 3.3Å; T362-I366 WeakPolarHBondContact O-CG1 3.43Å; T362-I366 PolarHBondContact O-N 3.16Å; I363-I366 PolarHBondContact O-N 2.86Å; S364-I366 VanDerWaalsContact C-N 3.29Å; S364-I366 PolarHBondContact O-N 3.15Å; I366-L368 VanDerWaalsContact C-N 3.29Å; I366-L368 PolarHBondContact O-N 3.34Å; I366-K369 PolarHBondContact O-N 3.03Å; I366-L370 HydrophobicContact CG2-CD1 3.87Å; I366-L370 WeakPolarHBondContact O-CD1 3.28Å; I366-L370 WeakPolarHBondContact O-CG 3.43Å; I366-L370 PolarHBondContact O-N 3.34Å; I366-L370 VanDerWaalsContact O-N 3.11Å; I366-A492 HydrophobicContact CG2-CB 3.71Å; I366-I493 HydrophobicContact CD1-CG1 4.49Å; I366-I493 HydrophobicContact CG2-CG1 4.13Å; I366-H496 HydrophobicContact CD1-CB 3.6Å; I366-H496 HydrophobicContact CG1-CB 4.49Å
367	C	78.6	Confident	65.9	Low	3 Å²	3	73.9 Å²	73.9	2%	0.02	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-41	-179.3	-61.3	0	0	0	0	111.9	I363 S364 T371	I363-C367 PolarHBondContact O-N 2.91Å; I363-C367 PolarHBondContact O-SG 2.97Å; S364-C367 PolarHBondContact O-N 3.18Å; C367-T371 PolarHBondContact O-N 3.31Å; C367-T371 PolarHBondContact O-OG1 2.75Å; C367-T371 VanDerWaalsContact O-OG1 3.13Å
368	L	72.5	Confident	63.4	Low	40 Å²	40	76.8 Å²	76.8	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-67	-50.9	175.1	-69	166.8	0	0	0	111.3	S364 I366 L370 T371 W372 A554 I571	S364-L368 WeakPolarHBondContact O-CB 3.32Å; S364-L368 WeakPolarHBondContact O-CD1 3.34Å; S364-L368 WeakPolarHBondContact O-CG 3.44Å; S364-L368 PolarHBondContact O-N 3.03Å; I366-L368 VanDerWaalsContact C-N 3.29Å; I366-L368 PolarHBondContact O-N 3.34Å; L368-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact O-N 3.11Å; L368-T371 WeakPolarHBondContact CA-OG1 3.31Å; L368-T371 CarbonylContact O-C 3.14Å; L368-T371 PolarHBondContact O-N 2.59Å; L368-T371 PolarHBondContact O-OG1 2.71Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; L368-W372 WeakPolarHBondContact O-CB 3.42Å; L368-W372 PolarHBondContact O-N 2.97Å; L368-A554 HydrophobicContact CD2-CB 3.35Å; L368-I571 HydrophobicContact CD1-CD1 4.15Å; L368-I571 HydrophobicContact CD2-CD1 4.26Å
369	K	71	Confident	61	Low	120 Å²	120	84.8 Å²	84.8	52%	0.522	42%	0.419	S	S	.	.	H	α-helix	trans	-53.8	-38.8	179.6	-79.7	164.1	-178.4	154.6	0	111.7	S365 I366 W372 L373	S365-K369 VanDerWaalsContact O-CB 3.27Å; S365-K369 WeakPolarHBondContact O-CB 3.29Å; S365-K369 VanDerWaalsContact O-CD 3.31Å; S365-K369 WeakPolarHBondContact O-CD 3.45Å; S365-K369 WeakPolarHBondContact O-CG 3.45Å; S365-K369 PolarHBondContact O-N 3.26Å; S365-K369 WeakPolarHBondContact OG-CE 3.38Å; S365-K369 PolarHBondContact OG-NZ 2.97Å; I366-K369 PolarHBondContact O-N 3.03Å; K369-W372 PolarHBondContact O-N 2.81Å; K369-L373 HydrophobicContact CB-CD1 4.12Å; K369-L373 VanDerWaalsContact O-CB 3.3Å; K369-L373 WeakPolarHBondContact O-CB 3.25Å; K369-L373 WeakPolarHBondContact O-CD1 3.39Å; K369-L373 PolarHBondContact O-N 3.31Å
370	L	58.8	Low	58.6	Low	68 Å²	68	87.8 Å²	87.8	36%	0.356	44%	0.443	S	S	.	.	H	α-helix	trans	-73	-25.7	178.6	-63.2	161.8	0	0	0	114.1	I366 L368 A492	I366-L370 HydrophobicContact CG2-CD1 3.87Å; I366-L370 WeakPolarHBondContact O-CD1 3.28Å; I366-L370 WeakPolarHBondContact O-CG 3.43Å; I366-L370 PolarHBondContact O-N 3.34Å; I366-L370 VanDerWaalsContact O-N 3.11Å; L368-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact O-N 3.11Å; L370-A492 HydrophobicContact CD1-CB 3.41Å; L370-A492 VanDerWaalsContact CD1-CB 3.41Å; L370-A492 HydrophobicContact CD2-CB 4.37Å; L370-A492 HydrophobicContact CG-CB 4.42Å
371	T	52	Low	56.2	Low	46 Å²	46	91.9 Å²	91.9	28%	0.282	47%	0.472	S	S	.	.	H	α-helix	trans	-88.2	-16.2	172.6	49.4	0	0	0	0	113.9	C367 L368 K487 V551	C367-T371 PolarHBondContact O-N 3.31Å; C367-T371 PolarHBondContact O-OG1 2.75Å; C367-T371 VanDerWaalsContact O-OG1 3.13Å; L368-T371 WeakPolarHBondContact CA-OG1 3.31Å; L368-T371 CarbonylContact O-C 3.14Å; L368-T371 PolarHBondContact O-N 2.59Å; L368-T371 PolarHBondContact O-OG1 2.71Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; T371-K487 HydrophobicContact CG2-CD 4.42Å; T371-V551 HydrophobicContact CG2-CG1 4.33Å; T371-V551 HydrophobicContact CG2-CG2 3.86Å
372	W	52	Low	53.9	Low	124 Å²	124	92.6 Å²	92.6	47%	0.47	48%	0.482	S	S	.	.	H	α-helix	trans	-110.3	-4.4	-176.7	-72.5	102	0	0	0	115	L368 K369 E374 I558	L368-W372 WeakPolarHBondContact O-CB 3.42Å; L368-W372 PolarHBondContact O-N 2.97Å; K369-W372 PolarHBondContact O-N 2.81Å; W372-E374 PolarHBondContact O-N 2.95Å; W372-I558 HydrophobicContact CH2-CD1 3.47Å; W372-I558 VanDerWaalsContact CH2-CD1 3.47Å; W372-I558 HydrophobicContact CH2-CG1 3.58Å; W372-I558 HydrophobicContact CH2-CG2 4.42Å; W372-I558 HydrophobicContact CZ2-CD1 3.14Å; W372-I558 HydrophobicContact CZ2-CG1 3.33Å; W372-I558 HydrophobicContact CZ3-CD1 4.48Å
373	L	38.9	Very low	51.3	Low	147 Å²	147	95.9 Å²	95.9	77%	0.77	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	60.1	174.5	-108.5	112.2	0	0	0	112.7	K369	K369-L373 HydrophobicContact CB-CD1 4.12Å; K369-L373 VanDerWaalsContact O-CB 3.3Å; K369-L373 WeakPolarHBondContact O-CB 3.25Å; K369-L373 WeakPolarHBondContact O-CD1 3.39Å; K369-L373 PolarHBondContact O-N 3.31Å
374	E	35.3	Very low	48.7	Very low	125 Å²	125	101.7 Å²	101.7	58%	0.584	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	11.4	162.6	-140	-174.3	-85.4	0	0	112.7	W372 K701	W372-E374 PolarHBondContact O-N 2.95Å; E374-K701 IonicContact OE2-NZ 2.74Å; E374-K701 PolarHBondContact OE2-NZ 3.4Å
375	S	35.6	Very low	46.4	Very low	94 Å²	94	107 Å²	107	66%	0.657	57%	0.574	S	S	*	*	S	Bend	trans	-98.9	125.3	172.3	-63.5	0	0	0	0	111.9	R377	S375-R377 PolarHBondContact O-N 3.33Å
376	D	33.6	Very low	43.9	Very low	145 Å²	145	108.2 Å²	108.2	78%	0.775	59%	0.594	S	S	*	*			trans	-48	119	-170	-68.7	-70.3	0	0	0	115.8	N378	D376-N378 VanDerWaalsContact C-N 3.33Å
377	R	33.9	Very low	41.8	Very low	243 Å²	243	115.9 Å²	115.9	92%	0.917	63%	0.633	S	S	*	*			trans	-98.3	44.5	159.5	-80.5	-171.3	167.2	-166	-3.7	112	S375	S375-R377 PolarHBondContact O-N 3.33Å
378	N	33.2	Very low	39.7	Very low	137 Å²	137	124.8 Å²	124.8	73%	0.733	67%	0.672	S	S	*	*			trans	-129.2	67.8	172.2	-82.3	-24.5	0	0	0	110.5	D376	D376-N378 VanDerWaalsContact C-N 3.33Å
379	N	33.9	Very low	38	Very low	169 Å²	169	128.8 Å²	128.8	90%	0.904	69%	0.693	S	S	*	*			trans	-162.7	76.5	160.8	-97	-32.7	0	0	0	110
380	S	31.4	Very low	36.4	Very low	107 Å²	107	131 Å²	131	75%	0.748	70%	0.703	S	S	*	*			trans	-95	145.8	165.1	62.3	0	0	0	0	110.2
381	S	29.7	Very low	35.4	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	72%	0.722	S	S	*	*			trans	59.9	106.2	171.1	61.9	0	0	0	0	117.3
382	H	31.1	Very low	34.7	Very low	167 Å²	167	139.3 Å²	139.3	77%	0.773	74%	0.741	S	S	*	*				-173.4	143	94.5	-107.5	-89	0	0	0	114.6
383	T	30.2	Very low	33.7	Very low	109 Å²	109	145.3 Å²	145.3	67%	0.669	76%	0.764	S	S	*	*			trans	60.7	110.8	148	45.8	0	0	0	0	124.2
384	T	29.3	Very low	33.6	Very low	123 Å²	123	142.2 Å²	142.2	76%	0.755	75%	0.754	S	S	*	*				60.1	114.8	126.9	61.6	0	0	0	0	122.1
385	S	31.5	Very low	33.9	Very low	120 Å²	120	145 Å²	145	84%	0.839	76%	0.764	S	S	*	*				151.1	146.4	98.5	62.5	0	0	0	0	113.5
386	G	27.2	Very low	34.1	Very low	70 Å²	70	151.8 Å²	151.8	72%	0.722	78%	0.776	S	S	*	*			trans	29.5	122.2	158.6	0	0	0	0	0	122.3
387	I	38.6	Very low	34.1	Very low	179 Å²	179	154.6 Å²	154.6	92%	0.918	78%	0.781	S	S	*	*				-152.7	138.5	111	-94.1	144.2	0	0	0	108.1
388	K	33.8	Very low	34.4	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	77%	0.771	S	S	*	*			trans	-106.9	143.8	176.8	-68	173.3	176.5	173.1	0	109.5
389	D	37.4	Very low	34.5	Very low	123 Å²	123	152 Å²	152	66%	0.658	78%	0.781	S	S	*	*				-163.4	128.6	121.8	-99.8	-31.3	0	0	0	107.6
390	K	38.1	Very low	34.7	Very low	167 Å²	167	151.4 Å²	151.4	73%	0.726	77%	0.773	S	S	*	*				52.8	134.3	92.1	-60.7	-174.3	-153.4	122.1	0	112.4
391	Q	37.9	Very low	34.9	Very low	161 Å²	161	152.4 Å²	152.4	75%	0.752	77%	0.77	S	S	*	*			cis	-156.4	170.1	9	-126.3	163.3	-64	0	0	105.3
392	D	35.4	Very low	35.3	Very low	128 Å²	128	158.7 Å²	158.7	68%	0.684	78%	0.778	S	S	*	*			cis	-156.9	155.1	18	-158.5	-23.8	0	0	0	109.5
393	R	31	Very low	35.6	Very low	250 Å²	250	156 Å²	156	94%	0.943	77%	0.774	S	S	*	*			trans	-159.1	100.2	175.5	-154.4	-176.7	-164.1	-173	6.4	111.6
394	S	37.3	Very low	35.9	Very low	82 Å²	82	157.7 Å²	157.7	57%	0.573	78%	0.779	S	S	*	*			trans	-154.5	120.8	163	82.8	0	0	0	0	109.3
395	K	41.3	Very low	36.4	Very low	183 Å²	183	157.1 Å²	157.1	80%	0.796	78%	0.78	S	S	*	*				164.5	154.3	89.9	-89.6	150.1	-171.6	170.6	0	104.7
396	R	40	Very low	36.8	Very low	237 Å²	237	159.1 Å²	159.1	89%	0.894	78%	0.781	S	S	*	*			cis	-152.3	164.8	16.5	-116.8	158.5	-176.8	-176.6	-0.4	109.6
397	K	34.9	Very low	37.3	Very low	204 Å²	204	166.1 Å²	166.1	89%	0.887	79%	0.786	S	S	*	*			trans	-91.5	171.7	177.7	-72.7	179.2	169.5	-176.2	0	113
398	A	38.6	Very low	37.2	Very low	86 Å²	86	167.1 Å²	167.1	71%	0.711	79%	0.787	S	S	*	*			trans	90.8	108.3	146.5	0	0	0	0	0	118.8
399	Y	36.3	Very low	37.1	Very low	238 Å²	238	164 Å²	164	93%	0.933	78%	0.779	S	S	*	*				-154.4	155.2	96.5	-115.5	-88.9	0	0	0	109.7
400	E	37.2	Very low	37.1	Very low	158 Å²	158	166.5 Å²	166.5	74%	0.738	79%	0.792	S	S	*	*			trans	-132.8	154.8	-167	-155	-179.1	-129.4	0	0	110.8
401	N	36.4	Very low	36.7	Very low	128 Å²	128	167 Å²	167	68%	0.684	80%	0.796	S	S	*	*			trans	70.9	107.3	166.9	-52.2	-53.3	0	0	0	118.8
402	R	37.9	Very low	36.3	Very low	228 Å²	228	165.9 Å²	165.9	86%	0.86	80%	0.801	S	S	*	*				179.9	127.6	94.9	-95.6	-178.8	-178.2	-169.5	-0.2	114.6
403	T	37.3	Very low	36.1	Very low	112 Å²	112	165.1 Å²	165.1	69%	0.687	81%	0.812	S	S	*	*			trans	54.5	122.6	143.9	53.7	0	0	0	0	122.3
404	D	36.4	Very low	36	Very low	144 Å²	144	158.5 Å²	158.5	77%	0.77	81%	0.805	S	S	*	*			trans	60	96.9	134.4	-52.1	-29.9	0	0	0	120.4
405	S	40.7	Very low	35.5	Very low	110 Å²	110	160.5 Å²	160.5	77%	0.769	81%	0.813	S	S	*	*				178.7	150.8	102.9	35.6	0	0	0	0	112.9
406	D	40	Very low	34.8	Very low	162 Å²	162	156.7 Å²	156.7	87%	0.866	81%	0.808	S	S	*	*			trans	57.1	88.5	156	-57.9	-10.4	0	0	0	119.5
407	R	36	Very low	34.2	Very low	217 Å²	217	153.1 Å²	153.1	82%	0.819	80%	0.801	S	S	*	*			trans	-72.2	132.3	168.2	171.1	-166.5	-166.8	173.6	2.3	112.7	D409	R407-D409 IonicContact NE-OD2 3.25Å
408	E	37.2	Very low	33.7	Very low	200 Å²	200	148.6 Å²	148.6	94%	0.935	80%	0.795	S	S	*	*			trans	-151.3	107.4	140.9	-122.2	178.1	-150.1	0	0	111.1
409	D	32.7	Very low	33.4	Very low	125 Å²	125	152.1 Å²	152.1	67%	0.668	80%	0.8	S	S	*	*			trans	-82.9	141	175.1	-53	-73.9	0	0	0	110.4	R407	R407-D409 IonicContact NE-OD2 3.25Å
410	L	36.2	Very low	33.3	Very low	177 Å²	177	146.5 Å²	146.5	93%	0.927	79%	0.791	S	S	*	*			trans	-155.2	71.4	154.5	-139	97.3	0	0	0	114.2
411	E	30.5	Very low	33.3	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	80%	0.798	S	S	*	*			trans	-82.9	162.3	152.9	-75.9	-163.5	142.7	0	0	111.1
412	T	29.6	Very low	33.3	Very low	138 Å²	138	151.2 Å²	151.2	85%	0.847	81%	0.809	S	S	*	*			trans	61.5	99	167.6	46.2	0	0	0	0	118.9
413	A	31	Very low	33.2	Very low	112 Å²	112	144 Å²	144	93%	0.926	81%	0.806	S	S	*	*			trans	-98.3	94.7	156.5	0	0	0	0	0	110.6
414	S	28.2	Very low	33.1	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	82%	0.819	S	S	*	*			trans	-83.4	161.8	173.2	174.4	0	0	0	0	112.4
415	V	27.4	Very low	33	Very low	124 Å²	124	144 Å²	144	75%	0.752	82%	0.819	S	S	*	*	S	Bend	trans	-48.6	139.5	169.3	172.3	0	0	0	0	113.8
416	C	25.3	Very low	32.6	Very low	103 Å²	103	144 Å²	144	70%	0.696	82%	0.818	S	S	*	*			trans	55	120.8	161.3	-68.5	0	0	0	0	120.6
417	H	28	Very low	32.3	Very low	162 Å²	162	140.8 Å²	140.8	75%	0.75	81%	0.809	S	S	*	*				-175.4	164.5	99.1	-108.1	-73.1	0	0	0	114.3
418	S	25.6	Very low	32.1	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	81%	0.81	S	S	*	*			trans	-58.7	147.9	171	-35.6	0	0	0	0	113
419	I	32.4	Very low	32	Very low	160 Å²	160	137.8 Å²	137.8	82%	0.821	80%	0.799	S	S	*	*			trans	-120.1	130.8	163.8	-63.8	179	0	0	0	109
420	V	34.2	Very low	32.2	Very low	121 Å²	121	141 Å²	141	73%	0.733	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-94.2	135.9	167.5	170.7	0	0	0	0	106.9	E422	V420-E422 HydrophobicContact CG1-CG 4.48Å
421	E	36.5	Very low	32	Very low	192 Å²	192	138.8 Å²	138.8	90%	0.897	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92.8	121.1	162.9	-70.5	-169.1	160.8	0	0	109.4
422	E	35.3	Very low	32.3	Very low	193 Å²	193	134.9 Å²	134.9	90%	0.902	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-92.5	127.1	164.2	-72.7	-170.5	145.7	0	0	109.8	V420	V420-E422 HydrophobicContact CG1-CG 4.48Å
423	G	35.7	Very low	32.4	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	79%	0.789	S	S	*	*			trans	-119.6	117.2	169.9	0	0	0	0	0	110
424	N	35.4	Very low	32.6	Very low	182 Å²	182	138.4 Å²	138.4	97%	0.973	79%	0.788	S	S	*	*			trans	-56.1	140	-178.7	-81.7	-49.4	0	0	0	113.3
425	G	34	Very low	32.6	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	78%	0.782	S	S	*	*			trans	-171.4	43.9	-175.2	0	0	0	0	0	119.3
426	S	32.7	Very low	33	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	79%	0.789	S	S	*	*			trans	48.7	131.8	153.5	-164.5	0	0	0	0	123
427	S	33.9	Very low	33.4	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	79%	0.789	S	S	*	*			trans	73.6	104.7	140.4	53.7	0	0	0	0	123
428	R	33.3	Very low	33.5	Very low	223 Å²	223	137.2 Å²	137.2	84%	0.842	79%	0.787	S	S	*	*				77	111.4	119.5	-75	-177.9	177.2	172.1	1	121.1
429	N	33.6	Very low	34	Very low	131 Å²	131	137.1 Å²	137.1	70%	0.701	79%	0.787	S	S	*	*				106.8	120.6	121.2	-68.4	-8.1	0	0	0	120.7
430	K	37.3	Very low	34.1	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	79%	0.791	S	S	*	*			trans	76.2	95.8	141.8	-66.4	179.6	178.7	-175.2	0	120.1
431	T	32	Very low	34.2	Very low	131 Å²	131	144.6 Å²	144.6	80%	0.804	80%	0.8	S	S	*	*			trans	-48	174.7	136.8	26.4	0	0	0	0	114.7
432	P	37.7	Very low	34.1	Very low	96 Å²	96	144.9 Å²	144.9	62%	0.623	80%	0.798	S	S	*	*			cis	-140.2	-178	-20.4	35.8	-16.3	0	0	0	115.4
433	N	31.6	Very low	34.1	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	80%	0.796	S	S	*	*			trans	61.7	121.8	149.3	-62.1	-18	0	0	0	120.8
434	L	34.3	Very low	34	Very low	174 Å²	174	150.8 Å²	150.8	91%	0.911	80%	0.801	S	S	*	*				-160.4	150.3	116.7	-107.2	156.9	0	0	0	111.8
435	S	29	Very low	34.1	Very low	94 Å²	94	149.2 Å²	149.2	66%	0.657	79%	0.791	S	S	*	*			trans	-95.3	145.6	-168.4	50.6	0	0	0	0	113.7
436	V	34.8	Very low	34.1	Very low	149 Å²	149	151 Å²	151	90%	0.903	79%	0.791	S	S	*	*			trans	-140.3	126.6	149.4	-176.1	0	0	0	0	109.5
437	S	33.7	Very low	33.9	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	79%	0.789	S	S	*	*			trans	-79.1	-179.9	175.6	-39.1	0	0	0	0	111
438	D	30.8	Very low	33.8	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	79%	0.793	S	S	*	*			cis	-161.9	-158.8	5.7	-146.7	-50	0	0	0	109.2
439	S	35.2	Very low	33.7	Very low	107 Å²	107	151.1 Å²	151.1	75%	0.748	80%	0.797	S	S	*	*			trans	83.6	67.7	162.8	76.3	0	0	0	0	118.9
440	R	35.9	Very low	33.8	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	80%	0.803	S	S	*	*				31.3	112.4	121.9	-61.9	176.6	176.6	178.6	-1.5	118.9
441	E	35.9	Very low	33.8	Very low	198 Å²	198	147.8 Å²	147.8	93%	0.925	80%	0.802	S	S	*	*			trans	-133	146	141	-158.9	172.4	-159.1	0	0	111.4	R443	E441-R443 PolarHBondContact O-N 3.05Å
442	K	33.7	Very low	33.8	Very low	198 Å²	198	151.1 Å²	151.1	86%	0.861	81%	0.806	S	S	*	*			trans	-77.4	113.8	-161.5	-65.4	166.5	179.9	168	0	112.6
443	R	36.3	Very low	33.8	Very low	229 Å²	229	155.5 Å²	155.5	86%	0.864	82%	0.818	S	S	*	*			trans	-104	123.5	156.6	-72.6	-172.9	-174.2	161.8	5.3	110.6	E441 I445	E441-R443 PolarHBondContact O-N 3.05Å; R443-I445 PolarHBondContact O-N 3Å
444	N	33.9	Very low	34.2	Very low	166 Å²	166	157 Å²	157	89%	0.888	82%	0.817	S	S	*	*			trans	-71.9	85.3	176.6	-69.1	-26.9	0	0	0	110.9	C446	N444-C446 PolarHBondContact O-N 3.22Å
445	I	37.4	Very low	34.3	Very low	148 Å²	148	156 Å²	156	76%	0.759	81%	0.813	S	S	*	*			trans	-81.8	110.9	167	-62.5	174.9	0	0	0	107.7	R443 S447	R443-I445 PolarHBondContact O-N 3Å; I445-S447 PolarHBondContact O-N 3.39Å
446	C	32.5	Very low	34.9	Very low	113 Å²	113	157.1 Å²	157.1	76%	0.764	82%	0.821	S	S	*	*			trans	-72.3	99.4	175.2	-174.3	0	0	0	0	110.1	N444 C448	N444-C446 PolarHBondContact O-N 3.22Å; C446-C448 PolarHBondContact O-N 3.1Å; C446-C448 VanDerWaalsContact SG-SG 3.65Å
447	S	29.4	Very low	34.7	Very low	104 Å²	104	153.7 Å²	153.7	73%	0.727	82%	0.815	S	S	*	*			trans	-89.9	78.8	-179.9	61	0	0	0	0	112.1	I445 K449	I445-S447 PolarHBondContact O-N 3.39Å; S447-K449 PolarHBondContact O-N 3.23Å
448	C	32	Very low	34.7	Very low	111 Å²	111	161.4 Å²	161.4	75%	0.75	83%	0.83	S	S	*	*			trans	-81.5	105.4	168.5	-63.8	0	0	0	0	110	C446	C446-C448 PolarHBondContact O-N 3.1Å; C446-C448 VanDerWaalsContact SG-SG 3.65Å
449	K	30.8	Very low	34.6	Very low	214 Å²	214	159.6 Å²	159.6	93%	0.93	83%	0.833	S	S	*	*			trans	-64.5	131.1	172.1	-67.7	167.2	177.2	168.5	0	109.8	S447	S447-K449 PolarHBondContact O-N 3.23Å
450	A	35.6	Very low	34.4	Very low	99 Å²	99	166 Å²	166	82%	0.818	84%	0.841	S	S	*	*			trans	-132.1	108	165.5	0	0	0	0	0	110.4
451	N	37	Very low	34.3	Very low	153 Å²	153	161.9 Å²	161.9	82%	0.818	84%	0.836	S	S	*	*			trans	34.7	118.5	166.1	-108.1	-16.5	0	0	0	122.6
452	K	32.4	Very low	34	Very low	200 Å²	200	158.5 Å²	158.5	87%	0.87	83%	0.834	S	S	*	*			trans	-78.1	124.7	150.6	-71.9	174	174.8	175.6	0	108.6
453	Q	38.4	Very low	34.3	Very low	189 Å²	189	153.2 Å²	153.2	88%	0.883	82%	0.823	S	S	*	*			trans	-144.1	151.5	146.1	-120.1	170.5	-1.6	0	0	111.3
454	K	38.9	Very low	34.4	Very low	181 Å²	181	148.2 Å²	148.2	79%	0.787	82%	0.818	S	S	*	*			trans	-102	154	-159.4	-66.8	173.5	172	177.2	0	111.4
455	N	36.9	Very low	34.9	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	82%	0.817	S	S	*	*			trans	70.2	142.1	158	-57.2	-9.4	0	0	0	115.6
456	S	40.7	Very low	35.7	Very low	117 Å²	117	143.8 Å²	143.8	82%	0.818	80%	0.799	S	S	*	*			cis	-165.6	147	-6.3	41.3	0	0	0	0	111.2
457	G	30.8	Very low	37.3	Very low	77 Å²	77	144 Å²	144	79%	0.794	80%	0.797	S	S	*	*			trans	97.3	45.9	134.1	0	0	0	0	0	121.1
458	R	34.2	Very low	39.8	Very low	259 Å²	259	145.6 Å²	145.6	98%	0.977	79%	0.791	S	S	*	*			trans	-158.1	118.4	136.2	-126	172.1	-179.2	171.1	0.3	112.6
459	A	28.7	Very low	42.4	Very low	96 Å²	96	143.9 Å²	143.9	79%	0.793	77%	0.774	S	S	*	*			trans	-83.7	139.2	-178.9	0	0	0	0	0	112.1
460	R	30	Very low	45.2	Very low	241 Å²	241	137.6 Å²	137.6	91%	0.909	75%	0.754	S	S	*	*			trans	-168.4	134.6	135.7	-102.6	160.6	-164.6	-166.3	3.2	110.3
461	L	35	Very low	47.8	Very low	153 Å²	153	135 Å²	135	80%	0.801	73%	0.726	S	S	*	*			trans	66.7	84.1	167.9	-58.9	170.6	0	0	0	117.6
462	S	30	Very low	50.3	Low	127 Å²	127	130.4 Å²	130.4	89%	0.888	71%	0.705	S	S	*	*			trans	-66.9	123.5	148.9	52	0	0	0	0	110.3
463	S	39.1	Very low	53	Low	88 Å²	88	121.8 Å²	121.8	62%	0.615	67%	0.669	S	S	*	*			trans	-138.9	111.5	167.9	49.8	0	0	0	0	112.3
464	T	38.5	Very low	55.4	Low	124 Å²	124	117.9 Å²	117.9	76%	0.761	65%	0.65	S	S	*	*			trans	54.6	122.6	153.7	54.3	0	0	0	0	120	C466	T464-C466 PolarHBondContact O-N 3.11Å
465	N	44.5	Very low	57.7	Low	164 Å²	164	109.5 Å²	109.5	88%	0.877	61%	0.614	S	S	*	*			trans	-53.7	96.7	160.2	-69.6	-36.6	0	0	0	110.7	T467	N465-T467 PolarHBondContact O-N 2.84Å; N465-T467 VanDerWaalsContact O-N 3.16Å
466	C	53.5	Low	60.1	Low	57 Å²	57	108.1 Å²	108.1	39%	0.385	60%	0.601	S	S	.	*			trans	-80.8	98	179	-149.5	0	0	0	0	109.4	T464 F468 Q521	T464-C466 PolarHBondContact O-N 3.11Å; C466-F468 WeakPolarHBondContact O-CD2 3.41Å; C466-F468 PolarHBondContact O-N 3.46Å; C466-Q521 PolarHBondContact SG-NE2 3.4Å
467	T	67.3	Low	62.2	Low	116 Å²	116	105.2 Å²	105.2	71%	0.712	58%	0.577	S	S	*	*			trans	-71.4	98.4	177.8	49.1	0	0	0	0	110.3	N465 L469	N465-T467 PolarHBondContact O-N 2.84Å; N465-T467 VanDerWaalsContact O-N 3.16Å; T467-L469 PolarHBondContact O-N 2.89Å
468	F	80.5	Confident	64.8	Low	138 Å²	138	105.8 Å²	105.8	61%	0.605	57%	0.568	S	S	*	*			trans	-65.7	124.9	171.7	-66.8	-81	0	0	0	110.7	C466	C466-F468 WeakPolarHBondContact O-CD2 3.41Å; C466-F468 PolarHBondContact O-N 3.46Å
469	L	88.4	Confident	67.3	Low	76 Å²	76	95.4 Å²	95.4	40%	0.398	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.8	166	-63.3	174.6	0	0	0	108.2	T467 K519 G520 Q523 I526	T467-L469 PolarHBondContact O-N 2.89Å; L469-K519 VanDerWaalsContact O-CA 3.31Å; L469-K519 WeakPolarHBondContact O-CA 3.44Å; L469-G520 PolarHBondContact N-O 3.19Å; L469-G520 PolarHBondContact O-N 3.21Å; L469-Q523 HydrophobicContact CD1-CB 4.15Å; L469-I526 HydrophobicContact CB-CD1 3.53Å
470	T	88.3	Confident	70	Confident	82 Å²	82	90.9 Å²	90.9	50%	0.503	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	176.7	-57.2	0	0	0	0	108.9	I518 K519	T470-I518 WeakPolarHBondContact CA-O 3.38Å; T470-K519 HydrophobicContact CG2-CG 4.02Å
471	D	91.4	Very high	72.6	Confident	43 Å²	43	81.6 Å²	81.6	23%	0.23	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.8	179.4	-161.1	-25.9	0	0	0	108.9	C517 I518 I526 K530	D471-C517 CarbonylContact O-C 3.54Å; D471-C517 WeakPolarHBondContact O-CA 3.36Å; D471-I518 PolarHBondContact N-O 3.43Å; D471-I518 PolarHBondContact O-N 3.28Å; D471-I526 HydrophobicContact CB-CD1 4.36Å; D471-I526 HydrophobicContact CB-CG2 3.5Å; D471-K530 VanDerWaalsContact CG-CE 3.43Å; D471-K530 WeakPolarHBondContact OD1-CE 3.28Å; D471-K530 IonicContact OD1-NZ 3.26Å; D471-K530 PolarHBondContact OD1-NZ 3.04Å; D471-K530 VanDerWaalsContact OD2-CE 3.3Å; D471-K530 WeakPolarHBondContact OD2-CE 3.33Å; D471-K530 IonicContact OD2-NZ 2.69Å; D471-K530 PolarHBondContact OD2-NZ 2.79Å
472	C	88.6	Confident	75	Confident	57 Å²	57	80.6 Å²	80.6	39%	0.385	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.1	-169.5	-62.7	0	0	0	0	109.9	M515 V516 C517	C472-M515 HydrophobicContact CB-CE 3.7Å; C472-V516 WeakPolarHBondContact CA-O 3.43Å; C472-C517 PolarHBondContact SG-SG 3.08Å
473	L	90.2	Very high	77.7	Confident	20 Å²	20	74.5 Å²	74.5	11%	0.105	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143	174.7	68.4	104.3	0	0	0	110.3	V475 V516 I518 K530 I533	L473-V475 HydrophobicContact CD1-CG2 3.25Å; L473-V475 HydrophobicContact CG-CG2 4.48Å; L473-V516 HydrophobicContact CD1-CB 4.2Å; L473-V516 HydrophobicContact CG-CB 4.04Å; L473-V516 PolarHBondContact N-O 3.01Å; L473-V516 PolarHBondContact O-N 2.98Å; L473-I518 HydrophobicContact CD2-CD1 3.49Å; L473-I518 VanDerWaalsContact CD2-CD1 3.49Å; L473-I518 HydrophobicContact CD2-CG1 4.22Å; L473-K530 HydrophobicContact CD2-CG 3.94Å; L473-I533 HydrophobicContact CD1-CG2 4.27Å; L473-I533 HydrophobicContact CD2-CD1 4.1Å
474	Q	87.9	Confident	79.9	Confident	106 Å²	106	72 Å²	72	50%	0.495	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.7	-178.7	-167.3	173.4	31.2	0	0	109.8	N513 M515	Q474-N513 HydrophobicContact CG-CB 3.59Å; Q474-N513 PolarHBondContact NE2-ND2 3.47Å; Q474-N513 VanDerWaalsContact NE2-ND2 3.16Å; Q474-M515 HydrophobicContact CB-SD 3.6Å; Q474-M515 HydrophobicContact CG-SD 3.79Å
475	V	88	Confident	82	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.1	-176.6	-178.7	0	0	0	0	109.7	L473 H479 V480 I483 N513 R514 V516 I537	L473-V475 HydrophobicContact CD1-CG2 3.25Å; L473-V475 HydrophobicContact CG-CG2 4.48Å; V475-H479 HydrophobicContact CG1-CB 3.68Å; V475-V480 HydrophobicContact CG1-CG2 4.21Å; V475-I483 HydrophobicContact CG1-CD1 3.66Å; V475-I483 HydrophobicContact CG2-CD1 4.2Å; V475-N513 CarbonylContact O-C 3.59Å; V475-N513 WeakPolarHBondContact O-CA 3.25Å; V475-R514 PolarHBondContact N-O 3.31Å; V475-R514 PolarHBondContact O-N 3.26Å; V475-V516 HydrophobicContact CB-CG2 4.13Å; V475-V516 HydrophobicContact CG2-CB 4.33Å; V475-V516 HydrophobicContact CG2-CG2 3.53Å; V475-I537 HydrophobicContact CG1-CD1 4.23Å; V475-I537 HydrophobicContact CG2-CD1 4.49Å
476	K	87.5	Confident	83.5	Confident	125 Å²	125	62.5 Å²	62.5	54%	0.543	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.1	171.9	-63.2	-179.2	176.5	-178.1	0	111	S478 H479 N513	K476-S478 PolarHBondContact O-N 3.03Å; K476-S478 VanDerWaalsContact O-N 3.09Å; K476-H479 PolarHBondContact O-N 3.39Å; K476-N513 WeakPolarHBondContact CA-OD1 3.25Å; K476-N513 WeakPolarHBondContact CG-OD1 3.29Å
477	N	84.7	Confident	84.5	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	35%	0.352	S	S	.	.	H	α-helix	trans	-55.3	-35.1	-177.8	-65.7	-6.2	0	0	0	112.4	H479 V480 G512 N513 R514	N477-H479 PolarHBondContact O-N 2.64Å; N477-H479 VanDerWaalsContact O-N 3.13Å; N477-V480 WeakPolarHBondContact O-CB 3.42Å; N477-V480 PolarHBondContact O-N 3.22Å; N477-G512 PolarHBondContact N-O 2.96Å; N477-G512 PolarHBondContact OD1-O 2.92Å; N477-N513 WeakPolarHBondContact OD1-CA 3.38Å; N477-N513 PolarHBondContact OD1-N 3.41Å; N477-R514 WeakPolarHBondContact OD1-CG 3.41Å; N477-R514 PolarHBondContact OD1-N 3.1Å; N477-R514 VanDerWaalsContact OD1-N 3.1Å
478	S	85.2	Confident	85.3	Confident	88 Å²	88	60.5 Å²	60.5	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-15.2	174.7	57.7	0	0	0	0	115.8	K476	K476-S478 PolarHBondContact O-N 3.03Å; K476-S478 VanDerWaalsContact O-N 3.09Å
479	H	86.4	Confident	85.5	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-99.9	-15	174.8	-59.6	-38	0	0	0	112.9	V475 K476 N477 G481 R482 I483 I537	V475-H479 HydrophobicContact CG1-CB 3.68Å; K476-H479 PolarHBondContact O-N 3.39Å; N477-H479 PolarHBondContact O-N 2.64Å; N477-H479 VanDerWaalsContact O-N 3.13Å; H479-G481 PolarHBondContact O-N 3.32Å; H479-R482 WeakPolarHBondContact O-CB 3.44Å; H479-R482 PolarHBondContact O-N 3.23Å; H479-I483 WeakPolarHBondContact O-CG1 3.14Å; H479-I483 PolarHBondContact O-N 3.45Å; H479-I537 HydrophobicContact CB-CG1 4.26Å
480	V	85.8	Confident	85.4	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-44.1	-175.7	179.9	0	0	0	0	110.8	V475 N477 R482 I483 M484 F504 R514	V475-V480 HydrophobicContact CG1-CG2 4.21Å; N477-V480 WeakPolarHBondContact O-CB 3.42Å; N477-V480 PolarHBondContact O-N 3.22Å; V480-R482 VanDerWaalsContact C-N 3.26Å; V480-R482 PolarHBondContact O-N 3.18Å; V480-I483 PolarHBondContact O-N 3.17Å; V480-M484 HydrophobicContact CG1-CE 3.86Å; V480-M484 HydrophobicContact CG1-CG 4.07Å; V480-M484 HydrophobicContact CG1-SD 3.85Å; V480-M484 WeakPolarHBondContact O-CG 3.3Å; V480-M484 PolarHBondContact O-N 3.1Å; V480-F504 HydrophobicContact CG1-CD1 4.05Å; V480-F504 HydrophobicContact CG1-CE1 3.73Å; V480-F504 HydrophobicContact CG1-CZ 4.17Å; V480-R514 HydrophobicContact CG2-CB 4.25Å
481	G	84	Confident	85.5	Confident	46 Å²	46	47.9 Å²	47.9	47%	0.474	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-32.9	173.7	0	0	0	0	0	114.1	H479 G485	H479-G481 PolarHBondContact O-N 3.32Å; G481-G485 WeakPolarHBondContact O-CA 3.41Å; G481-G485 PolarHBondContact O-N 3.26Å
482	R	84.7	Confident	85.4	Confident	132 Å²	132	46.5 Å²	46.5	50%	0.498	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-29.2	175.9	-59.6	-174.1	-178.5	-171.4	-1.5	113	H479 V480 I536	H479-R482 WeakPolarHBondContact O-CB 3.44Å; H479-R482 PolarHBondContact O-N 3.23Å; V480-R482 VanDerWaalsContact C-N 3.26Å; V480-R482 PolarHBondContact O-N 3.18Å; R482-I536 HydrophobicContact CB-CG2 4.24Å; R482-I536 WeakPolarHBondContact O-CG2 3.5Å
483	I	87.5	Confident	85.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-86.7	-39.4	-179.7	-60	162.3	0	0	0	111	V475 H479 V480 I490 I491 I494 F504 I533 I537	V475-I483 HydrophobicContact CG1-CD1 3.66Å; V475-I483 HydrophobicContact CG2-CD1 4.2Å; H479-I483 WeakPolarHBondContact O-CG1 3.14Å; H479-I483 PolarHBondContact O-N 3.45Å; V480-I483 PolarHBondContact O-N 3.17Å; I483-I490 CarbonylContact O-C 3.31Å; I483-I490 WeakPolarHBondContact O-CB 3.32Å; I483-I490 WeakPolarHBondContact O-CG2 3.37Å; I483-I491 PolarHBondContact O-N 2.9Å; I483-I491 VanDerWaalsContact O-N 3.09Å; I483-I494 HydrophobicContact CG2-CD1 4.14Å; I483-F504 HydrophobicContact CG2-CZ 4.27Å; I483-I533 HydrophobicContact CD1-CG2 3.94Å; I483-I533 HydrophobicContact CG1-CG2 4.37Å; I483-I533 HydrophobicContact CG2-CG1 4.35Å; I483-I537 HydrophobicContact CD1-CD1 3.91Å; I483-I537 HydrophobicContact CD1-CG1 4.12Å; I483-I537 HydrophobicContact CG1-CG1 4.31Å
484	M	85.4	Confident	85.5	Confident	36 Å²	36	42.9 Å²	42.9	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-69.1	-48.5	175.2	-64.3	-168.3	-52	0	0	110.6	V480 G488 S489 I490 I491 F504	V480-M484 HydrophobicContact CG1-CE 3.86Å; V480-M484 HydrophobicContact CG1-CG 4.07Å; V480-M484 HydrophobicContact CG1-SD 3.85Å; V480-M484 WeakPolarHBondContact O-CG 3.3Å; V480-M484 PolarHBondContact O-N 3.1Å; M484-G488 CarbonylContact O-C 3.38Å; M484-G488 WeakPolarHBondContact O-CA 3.36Å; M484-S489 PolarHBondContact O-N 3.16Å; M484-I490 PolarHBondContact O-N 2.89Å; M484-I491 PolarHBondContact O-N 2.67Å; M484-F504 HydrophobicContact CG-CD2 4.46Å; M484-F504 HydrophobicContact CG-CE1 4.48Å; M484-F504 HydrophobicContact CG-CE2 3.5Å; M484-F504 HydrophobicContact CG-CZ 3.52Å; M484-F504 HydrophobicContact SD-CD2 4.25Å; M484-F504 HydrophobicContact SD-CE2 3.84Å; M484-F504 HydrophobicContact SD-CZ 4.21Å
485	G	81.5	Confident	85.7	Confident	20 Å²	20	40.3 Å²	40.3	21%	0.206	22%	0.221	C	C	.	.			trans	67	-179	-168.6	0	0	0	0	0	113	G481 K487 G488	G481-G485 WeakPolarHBondContact O-CA 3.41Å; G481-G485 PolarHBondContact O-N 3.26Å; G485-K487 PolarHBondContact O-N 3.09Å; G485-G488 PolarHBondContact O-N 2.72Å
486	T	76.1	Confident	85.9	Confident	68 Å²	68	44.6 Å²	44.6	42%	0.417	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58.5	120.8	177.3	43.7	0	0	0	0	110.2	G488 S489 D548	T486-G488 PolarHBondContact O-N 2.87Å; T486-G488 VanDerWaalsContact O-N 3.11Å; T486-S489 VanDerWaalsContact O-CB 3.25Å; T486-S489 WeakPolarHBondContact O-CB 3.33Å; T486-S489 PolarHBondContact O-N 2.65Å; T486-S489 PolarHBondContact O-OG 3.11Å; T486-S489 PolarHBondContact OG1-OG 3.05Å; T486-D548 VanDerWaalsContact CG2-OD1 3.28Å; T486-D548 WeakPolarHBondContact CG2-OD1 3.45Å; T486-D548 PolarHBondContact OG1-OD1 2.64Å
487	K	75.3	Confident	86	Confident	114 Å²	114	39.9 Å²	39.9	50%	0.496	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	53.1	25	-176.8	-58.1	-172.2	176.2	-169.8	0	116	T371 G485 S489	T371-K487 HydrophobicContact CG2-CD 4.42Å; G485-K487 PolarHBondContact O-N 3.09Å; K487-S489 VanDerWaalsContact C-N 3.34Å
488	G	83.2	Confident	86.4	Confident	16 Å²	16	37.2 Å²	37.2	17%	0.165	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	77.8	16.7	-177.6	0	0	0	0	0	114.5	M484 G485 T486 I490 I491 A492	M484-G488 CarbonylContact O-C 3.38Å; M484-G488 WeakPolarHBondContact O-CA 3.36Å; G485-G488 PolarHBondContact O-N 2.72Å; T486-G488 PolarHBondContact O-N 2.87Å; T486-G488 VanDerWaalsContact O-N 3.11Å; G488-I490 PolarHBondContact O-N 3.46Å; G488-I491 WeakPolarHBondContact O-CG2 3.36Å; G488-A492 PolarHBondContact O-N 2.85Å
489	S	84.7	Confident	86.7	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.035	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-41.7	179.4	53.5	0	0	0	0	113.6	M484 T486 K487 I493 T547	M484-S489 PolarHBondContact O-N 3.16Å; T486-S489 VanDerWaalsContact O-CB 3.25Å; T486-S489 WeakPolarHBondContact O-CB 3.33Å; T486-S489 PolarHBondContact O-N 2.65Å; T486-S489 PolarHBondContact O-OG 3.11Å; T486-S489 PolarHBondContact OG1-OG 3.05Å; K487-S489 VanDerWaalsContact C-N 3.34Å; S489-I493 WeakPolarHBondContact O-CD1 3.31Å; S489-I493 VanDerWaalsContact O-CG1 3.3Å; S489-I493 WeakPolarHBondContact O-CG1 3.24Å; S489-I493 PolarHBondContact O-N 3.18Å; S489-I493 VanDerWaalsContact O-N 3.16Å; S489-T547 WeakPolarHBondContact OG-CG2 3.49Å
490	I	87.5	Confident	87	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-72.9	-43.8	-176.8	-60.6	176.3	0	0	0	110.6	I483 M484 G488 A492 I493 I494 I536 F543 T547	I483-I490 CarbonylContact O-C 3.31Å; I483-I490 WeakPolarHBondContact O-CB 3.32Å; I483-I490 WeakPolarHBondContact O-CG2 3.37Å; M484-I490 PolarHBondContact O-N 2.89Å; G488-I490 PolarHBondContact O-N 3.46Å; I490-A492 VanDerWaalsContact C-N 3.32Å; I490-A492 PolarHBondContact O-N 3.15Å; I490-I493 WeakPolarHBondContact O-CB 3.34Å; I490-I493 PolarHBondContact O-N 2.92Å; I490-I493 VanDerWaalsContact O-N 3.14Å; I490-I494 HydrophobicContact CG2-CD1 4.29Å; I490-I494 WeakPolarHBondContact O-CG1 3.46Å; I490-I494 PolarHBondContact O-N 3.24Å; I490-I536 HydrophobicContact CG2-CD1 3.81Å; I490-F543 HydrophobicContact CD1-CB 3.87Å; I490-F543 HydrophobicContact CG1-CB 3.9Å; I490-F543 HydrophobicContact CG2-CB 4.19Å; I490-T547 HydrophobicContact CG1-CG2 4.16Å
491	I	90.6	Very high	87.2	Confident	20 Å²	20	41 Å²	41	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-41.8	177.4	178.7	166.1	0	0	0	111.5	I483 M484 G488 I493 I494 E495 I502 F504	I483-I491 PolarHBondContact O-N 2.9Å; I483-I491 VanDerWaalsContact O-N 3.09Å; M484-I491 PolarHBondContact O-N 2.67Å; G488-I491 WeakPolarHBondContact O-CG2 3.36Å; I491-I493 VanDerWaalsContact C-N 3.33Å; I491-I493 PolarHBondContact O-N 2.95Å; I491-I494 WeakPolarHBondContact O-CB 3.19Å; I491-I494 PolarHBondContact O-N 3.29Å; I491-I494 VanDerWaalsContact O-N 3.13Å; I491-E495 HydrophobicContact CG1-CG 4.34Å; I491-E495 WeakPolarHBondContact O-CG 3.4Å; I491-E495 PolarHBondContact O-N 3.29Å; I491-I502 HydrophobicContact CD1-CB 3.74Å; I491-I502 HydrophobicContact CD1-CG2 3.56Å; I491-I502 HydrophobicContact CG1-CB 3.97Å; I491-I502 HydrophobicContact CG1-CD1 4.46Å; I491-I502 HydrophobicContact CG1-CG2 4.14Å; I491-F504 HydrophobicContact CD1-CD2 4.32Å; I491-F504 HydrophobicContact CD1-CE2 3.45Å; I491-F504 VanDerWaalsContact CD1-CE2 3.45Å; I491-F504 HydrophobicContact CD1-CZ 3.99Å
492	A	88.2	Confident	87.6	Confident	14 Å²	14	39.3 Å²	39.3	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-31.8	176.4	0	0	0	0	0	113.5	I366 L370 G488 I490 H496	I366-A492 HydrophobicContact CG2-CB 3.71Å; L370-A492 HydrophobicContact CD1-CB 3.41Å; L370-A492 VanDerWaalsContact CD1-CB 3.41Å; L370-A492 HydrophobicContact CD2-CB 4.37Å; L370-A492 HydrophobicContact CG-CB 4.42Å; G488-A492 PolarHBondContact O-N 2.85Å; I490-A492 VanDerWaalsContact C-N 3.32Å; I490-A492 PolarHBondContact O-N 3.15Å; A492-H496 VanDerWaalsContact O-CB 3.28Å; A492-H496 WeakPolarHBondContact O-CB 3.41Å; A492-H496 PolarHBondContact O-N 3.5Å
493	I	89.7	Confident	87.9	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-44.6	170.2	-73.6	165.1	0	0	0	110.2	I363 I366 S489 I490 I491 H496 F497 F532 F543 T547	I363-I493 HydrophobicContact CG2-CD1 4.02Å; I366-I493 HydrophobicContact CD1-CG1 4.49Å; I366-I493 HydrophobicContact CG2-CG1 4.13Å; S489-I493 WeakPolarHBondContact O-CD1 3.31Å; S489-I493 VanDerWaalsContact O-CG1 3.3Å; S489-I493 WeakPolarHBondContact O-CG1 3.24Å; S489-I493 PolarHBondContact O-N 3.18Å; S489-I493 VanDerWaalsContact O-N 3.16Å; I490-I493 WeakPolarHBondContact O-CB 3.34Å; I490-I493 PolarHBondContact O-N 2.92Å; I490-I493 VanDerWaalsContact O-N 3.14Å; I491-I493 VanDerWaalsContact C-N 3.33Å; I491-I493 PolarHBondContact O-N 2.95Å; I493-H496 PolarHBondContact O-N 2.92Å; I493-F497 HydrophobicContact CG2-CD2 3.81Å; I493-F497 HydrophobicContact CG2-CE2 3.94Å; I493-F497 VanDerWaalsContact O-CD2 3.28Å; I493-F497 WeakPolarHBondContact O-CD2 3.43Å; I493-F497 PolarHBondContact O-N 3.38Å; I493-F497 VanDerWaalsContact O-N 3.1Å; I493-F532 HydrophobicContact CG2-CZ 4.2Å; I493-F543 HydrophobicContact CG2-CD1 4.4Å; I493-F543 HydrophobicContact CG2-CE1 4.2Å; I493-T547 HydrophobicContact CD1-CG2 3.86Å
494	I	92.1	Very high	87.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-50.7	176.8	-58.3	164	0	0	0	110.2	I483 I490 I491 H496 F497 S498 I502 A529 F532 I533 I536	I483-I494 HydrophobicContact CG2-CD1 4.14Å; I490-I494 HydrophobicContact CG2-CD1 4.29Å; I490-I494 WeakPolarHBondContact O-CG1 3.46Å; I490-I494 PolarHBondContact O-N 3.24Å; I491-I494 WeakPolarHBondContact O-CB 3.19Å; I491-I494 PolarHBondContact O-N 3.29Å; I491-I494 VanDerWaalsContact O-N 3.13Å; I494-H496 VanDerWaalsContact C-N 3.31Å; I494-H496 PolarHBondContact O-N 2.66Å; I494-F497 PolarHBondContact O-N 2.71Å; I494-S498 VanDerWaalsContact O-CB 3.25Å; I494-S498 WeakPolarHBondContact O-CB 3.43Å; I494-S498 PolarHBondContact O-N 2.89Å; I494-S498 PolarHBondContact O-OG 3.4Å; I494-I502 HydrophobicContact CB-CD1 4.08Å; I494-I502 HydrophobicContact CG2-CD1 3.55Å; I494-A529 HydrophobicContact CG2-CB 4.33Å; I494-F532 HydrophobicContact CB-CD1 4.41Å; I494-F532 HydrophobicContact CG1-CD1 4.32Å; I494-F532 HydrophobicContact CG1-CD2 4.07Å; I494-F532 HydrophobicContact CG1-CE2 4.26Å; I494-F532 HydrophobicContact CG1-CG 4.1Å; I494-F532 HydrophobicContact CG1-CZ 4.49Å; I494-F532 HydrophobicContact CG2-CB 4.06Å; I494-F532 HydrophobicContact CG2-CD1 4.11Å; I494-F532 HydrophobicContact CG2-CG 4.13Å; I494-I533 HydrophobicContact CD1-CG1 4.09Å; I494-I536 HydrophobicContact CD1-CD1 3.59Å; I494-I536 HydrophobicContact CG1-CD1 4.02Å
495	E	92.4	Very high	87.7	Confident	52 Å²	52	41.5 Å²	41.5	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-53.1	-48.3	177.7	-75.3	-175.4	135.6	0	0	111.4	I491 S498 N499 T500 V501 I502	I491-E495 HydrophobicContact CG1-CG 4.34Å; I491-E495 WeakPolarHBondContact O-CG 3.4Å; I491-E495 PolarHBondContact O-N 3.29Å; E495-S498 PolarHBondContact O-OG 3.33Å; E495-N499 WeakPolarHBondContact O-CA 3.37Å; E495-N499 PolarHBondContact O-N 2.89Å; E495-T500 WeakPolarHBondContact CA-O 3.42Å; E495-T500 VanDerWaalsContact CB-O 3.24Å; E495-T500 WeakPolarHBondContact CB-O 3.36Å; E495-T500 WeakPolarHBondContact CG-O 3.42Å; E495-T500 PolarHBondContact O-N 2.73Å; E495-T500 VanDerWaalsContact O-N 3.16Å; E495-V501 WeakPolarHBondContact OE1-CA 3.24Å; E495-I502 HydrophobicContact CG-CB 4.06Å; E495-I502 HydrophobicContact CG-CD1 4.08Å; E495-I502 HydrophobicContact CG-CG1 3.89Å; E495-I502 PolarHBondContact OE1-N 3.35Å
496	H	90.8	Very high	87.1	Confident	95 Å²	95	46.7 Å²	46.7	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-51.7	-179.6	-175.1	77.8	0	0	0	113	T362 I366 A492 I493 I494 N499	T362-H496 VanDerWaalsContact CG2-CD2 3.46Å; T362-H496 WeakPolarHBondContact CG2-CD2 3.23Å; T362-H496 WeakPolarHBondContact CG2-NE2 3.32Å; I366-H496 HydrophobicContact CD1-CB 3.6Å; I366-H496 HydrophobicContact CG1-CB 4.49Å; A492-H496 VanDerWaalsContact O-CB 3.28Å; A492-H496 WeakPolarHBondContact O-CB 3.41Å; A492-H496 PolarHBondContact O-N 3.5Å; I493-H496 PolarHBondContact O-N 2.92Å; I494-H496 VanDerWaalsContact C-N 3.31Å; I494-H496 PolarHBondContact O-N 2.66Å; H496-N499 PolarHBondContact O-N 2.63Å
497	F	91	Very high	86.6	Confident	26 Å²	26	46.3 Å²	46.3	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-76.4	-22	-176.6	-73.7	-59.1	0	0	0	113.9	V356 D357 F358 T362 I363 I493 I494 F532	V356-F497 HydrophobicContact CG1-CB 3.92Å; V356-F497 HydrophobicContact CG1-CD1 3.76Å; V356-F497 HydrophobicContact CG1-CE1 4.49Å; V356-F497 HydrophobicContact CG1-CG 3.89Å; D357-F497 VanDerWaalsContact O-CE1 3.29Å; D357-F497 WeakPolarHBondContact O-CE1 3.46Å; F358-F497 HydrophobicContact CD1-CD1 4.43Å; F358-F497 HydrophobicContact CD1-CD2 4Å; F358-F497 HydrophobicContact CD1-CE1 4.2Å; F358-F497 AromaticContact CD1-CE2 3.74Å; F358-F497 HydrophobicContact CD1-CE2 3.74Å; F358-F497 HydrophobicContact CD1-CG 4.35Å; F358-F497 AromaticContact CD1-CZ 3.85Å; F358-F497 HydrophobicContact CD1-CZ 3.85Å; F358-F497 AromaticContact CE1-CD2 3.85Å; F358-F497 HydrophobicContact CE1-CD2 3.85Å; F358-F497 AromaticContact CE1-CE2 4Å; F358-F497 HydrophobicContact CE1-CE2 4Å; F358-F497 HydrophobicContact CE1-CG 4.26Å; T362-F497 HydrophobicContact CG2-CE1 4.26Å; T362-F497 HydrophobicContact CG2-CZ 4.04Å; I363-F497 HydrophobicContact CD1-CE2 4.36Å; I363-F497 HydrophobicContact CD1-CZ 4.46Å; I363-F497 HydrophobicContact CG1-CE2 3.84Å; I363-F497 HydrophobicContact CG1-CZ 3.97Å; I493-F497 HydrophobicContact CG2-CD2 3.81Å; I493-F497 HydrophobicContact CG2-CE2 3.94Å; I493-F497 VanDerWaalsContact O-CD2 3.28Å; I493-F497 WeakPolarHBondContact O-CD2 3.43Å; I493-F497 PolarHBondContact O-N 3.38Å; I493-F497 VanDerWaalsContact O-N 3.1Å; I494-F497 PolarHBondContact O-N 2.71Å; F497-F532 HydrophobicContact CB-CE1 4.02Å; F497-F532 HydrophobicContact CD2-CE1 4.36Å
498	S	91.9	Very high	86	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-89.5	-17.7	174.4	62.9	0	0	0	0	113.6	I494 E495 T500 D525	I494-S498 VanDerWaalsContact O-CB 3.25Å; I494-S498 WeakPolarHBondContact O-CB 3.43Å; I494-S498 PolarHBondContact O-N 2.89Å; I494-S498 PolarHBondContact O-OG 3.4Å; E495-S498 PolarHBondContact O-OG 3.33Å; S498-T500 VanDerWaalsContact C-N 3.31Å; S498-T500 PolarHBondContact OG-N 2.94Å; S498-T500 PolarHBondContact OG-OG1 2.93Å; S498-D525 VanDerWaalsContact O-CB 3.25Å; S498-D525 WeakPolarHBondContact O-CB 3.49Å
499	N	91	Very high	84.9	Confident	113 Å²	113	53.2 Å²	53.2	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	41.6	-166.7	-53.1	-87.3	0	0	0	112.4	E495 H496	E495-N499 WeakPolarHBondContact O-CA 3.37Å; E495-N499 PolarHBondContact O-N 2.89Å; H496-N499 PolarHBondContact O-N 2.63Å
500	T	93	Very high	83.8	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	164.8	176.9	67.5	0	0	0	0	111.5	E495 S498 I518 K519 D525 A529	E495-T500 WeakPolarHBondContact CA-O 3.42Å; E495-T500 VanDerWaalsContact CB-O 3.24Å; E495-T500 WeakPolarHBondContact CB-O 3.36Å; E495-T500 WeakPolarHBondContact CG-O 3.42Å; E495-T500 PolarHBondContact O-N 2.73Å; E495-T500 VanDerWaalsContact O-N 3.16Å; S498-T500 VanDerWaalsContact C-N 3.31Å; S498-T500 PolarHBondContact OG-N 2.94Å; S498-T500 PolarHBondContact OG-OG1 2.93Å; T500-I518 HydrophobicContact CG2-CG2 3.82Å; T500-K519 CarbonylContact C-O 3.55Å; T500-K519 WeakPolarHBondContact CA-O 3.46Å; T500-K519 WeakPolarHBondContact CB-O 3.28Å; T500-D525 VanDerWaalsContact CG2-C 3.5Å; T500-D525 HydrophobicContact CG2-CB 3.93Å; T500-D525 VanDerWaalsContact CG2-O 3.28Å; T500-D525 WeakPolarHBondContact CG2-O 3.46Å; T500-A529 HydrophobicContact CG2-CB 4.03Å
501	V	91.6	Very high	82.7	Confident	88 Å²	88	66.4 Å²	66.4	53%	0.533	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.3	167.8	179.3	0	0	0	0	107.8	E495 K519	E495-V501 WeakPolarHBondContact OE1-CA 3.24Å; V501-K519 HydrophobicContact CB-CB 4.48Å; V501-K519 PolarHBondContact N-O 3.19Å; V501-K519 PolarHBondContact O-N 3.41Å
502	I	92.3	Very high	82	Confident	11 Å²	11	67.8 Å²	67.8	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.8	-173.7	-58.5	174.9	0	0	0	108.4	I491 I494 E495 V516 I518 A529 I533	I491-I502 HydrophobicContact CD1-CB 3.74Å; I491-I502 HydrophobicContact CD1-CG2 3.56Å; I491-I502 HydrophobicContact CG1-CB 3.97Å; I491-I502 HydrophobicContact CG1-CD1 4.46Å; I491-I502 HydrophobicContact CG1-CG2 4.14Å; I494-I502 HydrophobicContact CB-CD1 4.08Å; I494-I502 HydrophobicContact CG2-CD1 3.55Å; E495-I502 HydrophobicContact CG-CB 4.06Å; E495-I502 HydrophobicContact CG-CD1 4.08Å; E495-I502 HydrophobicContact CG-CG1 3.89Å; E495-I502 PolarHBondContact OE1-N 3.35Å; I502-V516 HydrophobicContact CG2-CG1 3.49Å; I502-V516 VanDerWaalsContact CG2-CG1 3.49Å; I502-I518 HydrophobicContact CG1-CG1 4.3Å; I502-I518 HydrophobicContact CG1-CG2 4.43Å; I502-A529 HydrophobicContact CD1-CB 4.43Å; I502-I533 HydrophobicContact CD1-CD1 4.41Å
503	S	89.6	Confident	81.8	Confident	40 Å²	40	69.1 Å²	69.1	28%	0.28	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.9	-178.5	48	0	0	0	0	110.2	C517	S503-C517 PolarHBondContact N-O 3.16Å; S503-C517 PolarHBondContact O-N 3.21Å; S503-C517 PolarHBondContact OG-O 2.74Å
504	F	86.9	Confident	81.6	Confident	55 Å²	55	70.7 Å²	70.7	24%	0.241	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.4	168.4	-59.5	-85.2	0	0	0	108.4	V480 I483 M484 I491 V516	V480-F504 HydrophobicContact CG1-CD1 4.05Å; V480-F504 HydrophobicContact CG1-CE1 3.73Å; V480-F504 HydrophobicContact CG1-CZ 4.17Å; I483-F504 HydrophobicContact CG2-CZ 4.27Å; M484-F504 HydrophobicContact CG-CD2 4.46Å; M484-F504 HydrophobicContact CG-CE1 4.48Å; M484-F504 HydrophobicContact CG-CE2 3.5Å; M484-F504 HydrophobicContact CG-CZ 3.52Å; M484-F504 HydrophobicContact SD-CD2 4.25Å; M484-F504 HydrophobicContact SD-CE2 3.84Å; M484-F504 HydrophobicContact SD-CZ 4.21Å; I491-F504 HydrophobicContact CD1-CD2 4.32Å; I491-F504 HydrophobicContact CD1-CE2 3.45Å; I491-F504 VanDerWaalsContact CD1-CE2 3.45Å; I491-F504 HydrophobicContact CD1-CZ 3.99Å; F504-V516 HydrophobicContact CD1-CG2 3.66Å; F504-V516 HydrophobicContact CE1-CG2 3.53Å
505	K	82	Confident	81.3	Confident	119 Å²	119	72.6 Å²	72.6	52%	0.517	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.9	163.8	-72.7	-176.2	-177.2	169.7	0	108.7	M507 M515 C517	K505-M507 PolarHBondContact O-N 2.93Å; K505-M515 HydrophobicContact CB-CB 4.28Å; K505-M515 PolarHBondContact N-O 3.42Å; K505-M515 PolarHBondContact O-N 2.92Å; K505-C517 VanDerWaalsContact CD-SG 3.55Å; K505-C517 WeakPolarHBondContact CE-SG 3.46Å
506	D	68.5	Low	81.2	Confident	128 Å²	128	70.1 Å²	70.1	68%	0.684	36%	0.362	S	S	*	.			trans	-63.9	131	170.8	-56	-45.7	0	0	0	109.3
507	M	66	Low	81.2	Confident	61 Å²	61	65.7 Å²	65.7	30%	0.3	34%	0.341	S	S	.	.			trans	-108.4	151.7	170.4	-68.4	-64.5	-70.6	0	0	107.3	K505 E509 E511 N513 M515	K505-M507 PolarHBondContact O-N 2.93Å; M507-E509 PolarHBondContact O-N 3.34Å; M507-E511 VanDerWaalsContact CE-OE2 3.28Å; M507-E511 WeakPolarHBondContact CE-OE2 3.28Å; M507-N513 WeakPolarHBondContact CB-O 3.46Å; M507-M515 HydrophobicContact CE-CG 4.16Å; M507-M515 HydrophobicContact CG-CB 4.17Å; M507-M515 HydrophobicContact CG-CG 3.66Å; M507-M515 HydrophobicContact SD-CB 4.21Å; M507-M515 HydrophobicContact SD-CG 3.46Å; M507-M515 WeakPolarHBondContact SD-CG 3.28Å
508	P	63.5	Low	81.4	Confident	84 Å²	84	64.5 Å²	64.5	55%	0.545	34%	0.336	S	S	.	.			trans	-56.9	129.6	175.7	24.6	-34.2	0	0	0	110.3	K510 E511	P508-K510 PolarHBondContact O-N 3.36Å; P508-E511 PolarHBondContact O-N 3.34Å
509	E	59.2	Low	81.4	Confident	191 Å²	191	68.9 Å²	68.9	89%	0.893	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-18.1	-169.6	-61.5	-179.7	146	0	0	115.8	M507 E511	M507-E509 PolarHBondContact O-N 3.34Å; E509-E511 PolarHBondContact O-N 3.44Å
510	K	61.9	Low	81.4	Confident	208 Å²	208	63.5 Å²	63.5	90%	0.904	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.3	173.2	-60.5	-173.8	-179.9	-177.3	0	112.6	P508	P508-K510 PolarHBondContact O-N 3.36Å
511	E	63.8	Low	81.2	Confident	81 Å²	81	69.1 Å²	69.1	38%	0.379	35%	0.352	S	S	.	.	S	Bend	trans	-94	116.6	169.8	-66.4	178.6	-153.8	0	0	108.9	M507 P508 E509 N513	M507-E511 VanDerWaalsContact CE-OE2 3.28Å; M507-E511 WeakPolarHBondContact CE-OE2 3.28Å; P508-E511 PolarHBondContact O-N 3.34Å; E509-E511 PolarHBondContact O-N 3.44Å; E511-N513 PolarHBondContact O-N 2.9Å
512	G	76.4	Confident	81.2	Confident	48 Å²	48	71.6 Å²	71.6	50%	0.495	35%	0.352	S	S	.	.	S	Bend	trans	-68.9	25.3	176.5	0	0	0	0	0	114.8	N477	N477-G512 PolarHBondContact N-O 2.96Å; N477-G512 PolarHBondContact OD1-O 2.92Å
513	N	84.3	Confident	81	Confident	43 Å²	43	75 Å²	75	23%	0.23	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.2	-173.6	-58.6	-33.5	0	0	0	110.6	Q474 V475 K476 N477 M507 E511	Q474-N513 HydrophobicContact CG-CB 3.59Å; Q474-N513 PolarHBondContact NE2-ND2 3.47Å; Q474-N513 VanDerWaalsContact NE2-ND2 3.16Å; V475-N513 CarbonylContact O-C 3.59Å; V475-N513 WeakPolarHBondContact O-CA 3.25Å; K476-N513 WeakPolarHBondContact CA-OD1 3.25Å; K476-N513 WeakPolarHBondContact CG-OD1 3.29Å; N477-N513 WeakPolarHBondContact OD1-CA 3.38Å; N477-N513 PolarHBondContact OD1-N 3.41Å; M507-N513 WeakPolarHBondContact CB-O 3.46Å; E511-N513 PolarHBondContact O-N 2.9Å
514	R	84.6	Confident	81.1	Confident	33 Å²	33	76.8 Å²	76.8	13%	0.125	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	153.8	166.1	-75.8	175.6	-165.8	152.2	12.4	110.5	V475 N477 V480 E728	V475-R514 PolarHBondContact N-O 3.31Å; V475-R514 PolarHBondContact O-N 3.26Å; N477-R514 WeakPolarHBondContact OD1-CG 3.41Å; N477-R514 PolarHBondContact OD1-N 3.1Å; N477-R514 VanDerWaalsContact OD1-N 3.1Å; V480-R514 HydrophobicContact CG2-CB 4.25Å; R514-E728 IonicContact CZ-OE1 3.02Å; R514-E728 VanDerWaalsContact CZ-OE1 3.31Å; R514-E728 IonicContact NH1-OE1 3.77Å; R514-E728 PolarHBondContact NH1-OE1 3.32Å; R514-E728 IonicContact NH1-OE2 2.59Å; R514-E728 PolarHBondContact NH1-OE2 3.16Å; R514-E728 VanDerWaalsContact NH1-OE2 3.15Å; R514-E728 IonicContact NH2-OE1 3.15Å; R514-E728 PolarHBondContact NH2-OE1 3.09Å
515	M	86.4	Confident	81.3	Confident	40 Å²	40	74.7 Å²	74.7	20%	0.197	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.4	174.7	-74.1	-59	-62.7	0	0	110.2	C472 Q474 K505 M507	C472-M515 HydrophobicContact CB-CE 3.7Å; Q474-M515 HydrophobicContact CB-SD 3.6Å; Q474-M515 HydrophobicContact CG-SD 3.79Å; K505-M515 HydrophobicContact CB-CB 4.28Å; K505-M515 PolarHBondContact N-O 3.42Å; K505-M515 PolarHBondContact O-N 2.92Å; M507-M515 HydrophobicContact CE-CG 4.16Å; M507-M515 HydrophobicContact CG-CB 4.17Å; M507-M515 HydrophobicContact CG-CG 3.66Å; M507-M515 HydrophobicContact SD-CB 4.21Å; M507-M515 HydrophobicContact SD-CG 3.46Å; M507-M515 WeakPolarHBondContact SD-CG 3.28Å
516	V	91.4	Very high	81.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.5	175.9	-176.4	0	0	0	0	108.6	C472 L473 V475 I502 F504 I533	C472-V516 WeakPolarHBondContact CA-O 3.43Å; L473-V516 HydrophobicContact CD1-CB 4.2Å; L473-V516 HydrophobicContact CG-CB 4.04Å; L473-V516 PolarHBondContact N-O 3.01Å; L473-V516 PolarHBondContact O-N 2.98Å; V475-V516 HydrophobicContact CB-CG2 4.13Å; V475-V516 HydrophobicContact CG2-CB 4.33Å; V475-V516 HydrophobicContact CG2-CG2 3.53Å; I502-V516 HydrophobicContact CG2-CG1 3.49Å; I502-V516 VanDerWaalsContact CG2-CG1 3.49Å; F504-V516 HydrophobicContact CD1-CG2 3.66Å; F504-V516 HydrophobicContact CE1-CG2 3.53Å; V516-I533 HydrophobicContact CG1-CD1 4.29Å
517	C	91	Very high	82.9	Confident	2 Å²	2	67 Å²	67	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.6	179	-64.7	0	0	0	0	110.1	D471 C472 S503 K505	D471-C517 CarbonylContact O-C 3.54Å; D471-C517 WeakPolarHBondContact O-CA 3.36Å; C472-C517 PolarHBondContact SG-SG 3.08Å; S503-C517 PolarHBondContact N-O 3.16Å; S503-C517 PolarHBondContact O-N 3.21Å; S503-C517 PolarHBondContact OG-O 2.74Å; K505-C517 VanDerWaalsContact CD-SG 3.55Å; K505-C517 WeakPolarHBondContact CE-SG 3.46Å
518	I	93.7	Very high	84.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.9	177.4	-54.8	172.6	0	0	0	108.5	T470 D471 L473 T500 I502 I526 A529 K530 I533	T470-I518 WeakPolarHBondContact CA-O 3.38Å; D471-I518 PolarHBondContact N-O 3.43Å; D471-I518 PolarHBondContact O-N 3.28Å; L473-I518 HydrophobicContact CD2-CD1 3.49Å; L473-I518 VanDerWaalsContact CD2-CD1 3.49Å; L473-I518 HydrophobicContact CD2-CG1 4.22Å; T500-I518 HydrophobicContact CG2-CG2 3.82Å; I502-I518 HydrophobicContact CG1-CG1 4.3Å; I502-I518 HydrophobicContact CG1-CG2 4.43Å; I518-I526 HydrophobicContact CB-CG2 4.47Å; I518-I526 HydrophobicContact CG2-CB 4.42Å; I518-I526 HydrophobicContact CG2-CG1 4.21Å; I518-I526 HydrophobicContact CG2-CG2 4.24Å; I518-A529 HydrophobicContact CD1-CB 3.92Å; I518-A529 HydrophobicContact CG2-CB 3.81Å; I518-K530 HydrophobicContact CD1-CG 3.66Å; I518-I533 HydrophobicContact CD1-CD1 4.03Å
519	K	92.3	Very high	85.6	Confident	93 Å²	93	60.3 Å²	60.3	40%	0.404	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.4	174.3	-59	-174.8	-179.6	174.2	0	110.1	L469 T470 T500 V501	L469-K519 VanDerWaalsContact O-CA 3.31Å; L469-K519 WeakPolarHBondContact O-CA 3.44Å; T470-K519 HydrophobicContact CG2-CG 4.02Å; T500-K519 CarbonylContact C-O 3.55Å; T500-K519 WeakPolarHBondContact CA-O 3.46Å; T500-K519 WeakPolarHBondContact CB-O 3.28Å; V501-K519 HydrophobicContact CB-CB 4.48Å; V501-K519 PolarHBondContact N-O 3.19Å; V501-K519 PolarHBondContact O-N 3.41Å
520	G	90.5	Very high	87.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.6	-178.8	0	0	0	0	0	112.5	L469	L469-G520 PolarHBondContact N-O 3.19Å; L469-G520 PolarHBondContact O-N 3.21Å
521	Q	89.7	Confident	88.6	Confident	125 Å²	125	46.9 Å²	46.9	58%	0.584	22%	0.224	S	C	*	.	S	Bend	trans	-76.8	-30.1	175.1	-169.1	178.7	10.8	0	0	111.8	C466	C466-Q521 PolarHBondContact SG-NE2 3.4Å
522	R	90.4	Very high	90	Very high	140 Å²	140	43 Å²	43	53%	0.528	21%	0.206	S	C	.	.	S	Bend	trans	-130.1	150.9	-179.6	-47.5	172.1	-66.1	-166.1	0.9	110.4	K524 D525 I526	R522-K524 VanDerWaalsContact C-N 3.26Å; R522-K524 PolarHBondContact O-N 3.45Å; R522-D525 VanDerWaalsContact CB-OD2 3.24Å; R522-D525 WeakPolarHBondContact CB-OD2 3.32Å; R522-D525 WeakPolarHBondContact CG-OD2 3.16Å; R522-D525 IonicContact CZ-OD1 3.31Å; R522-D525 IonicContact CZ-OD2 3.51Å; R522-D525 PolarHBondContact N-OD2 3.38Å; R522-D525 IonicContact NE-OD1 2.71Å; R522-D525 PolarHBondContact NE-OD1 2.94Å; R522-D525 IonicContact NE-OD2 2.69Å; R522-D525 PolarHBondContact NE-OD2 2.94Å; R522-D525 IonicContact NH2-OD1 2.68Å; R522-D525 PolarHBondContact NH2-OD1 3.36Å; R522-D525 IonicContact NH2-OD2 3.49Å; R522-D525 PolarHBondContact NH2-OD2 3.49Å; R522-D525 WeakPolarHBondContact O-CB 3.4Å; R522-D525 PolarHBondContact O-N 2.96Å; R522-I526 PolarHBondContact O-N 3.36Å
523	Q	89.4	Confident	90.7	Very high	82 Å²	82	40.8 Å²	40.8	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-59.9	-36.9	177.5	-173.8	59.5	26.2	0	0	112.4	L469 D525 I526 E527	L469-Q523 HydrophobicContact CD1-CB 4.15Å; Q523-D525 PolarHBondContact O-N 3.23Å; Q523-I526 PolarHBondContact O-N 3.47Å; Q523-E527 HydrophobicContact CG-CG 4.46Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.43Å; Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 3.37Å
524	K	91.1	Very high	91	Very high	79 Å²	79	43 Å²	43	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-32.8	175.1	-177	175.4	178.5	178.7	0	113.1	Y354 R522 C528	Y354-K524 HydrophobicContact CD1-CG 4.21Å; Y354-K524 HydrophobicContact CE1-CG 4.12Å; R522-K524 VanDerWaalsContact C-N 3.26Å; R522-K524 PolarHBondContact O-N 3.45Å; K524-C528 WeakPolarHBondContact O-CB 3.44Å; K524-C528 PolarHBondContact O-N 3.07Å
525	D	92.2	Very high	91.2	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-40.6	-179.8	-58.7	-30.7	0	0	0	110.3	S498 T500 R522 Q523 C528 A529	S498-D525 VanDerWaalsContact O-CB 3.25Å; S498-D525 WeakPolarHBondContact O-CB 3.49Å; T500-D525 VanDerWaalsContact CG2-C 3.5Å; T500-D525 HydrophobicContact CG2-CB 3.93Å; T500-D525 VanDerWaalsContact CG2-O 3.28Å; T500-D525 WeakPolarHBondContact CG2-O 3.46Å; R522-D525 VanDerWaalsContact CB-OD2 3.24Å; R522-D525 WeakPolarHBondContact CB-OD2 3.32Å; R522-D525 WeakPolarHBondContact CG-OD2 3.16Å; R522-D525 IonicContact CZ-OD1 3.31Å; R522-D525 IonicContact CZ-OD2 3.51Å; R522-D525 PolarHBondContact N-OD2 3.38Å; R522-D525 IonicContact NE-OD1 2.71Å; R522-D525 PolarHBondContact NE-OD1 2.94Å; R522-D525 IonicContact NE-OD2 2.69Å; R522-D525 PolarHBondContact NE-OD2 2.94Å; R522-D525 IonicContact NH2-OD1 2.68Å; R522-D525 PolarHBondContact NH2-OD1 3.36Å; R522-D525 IonicContact NH2-OD2 3.49Å; R522-D525 PolarHBondContact NH2-OD2 3.49Å; R522-D525 WeakPolarHBondContact O-CB 3.4Å; R522-D525 PolarHBondContact O-N 2.96Å; Q523-D525 PolarHBondContact O-N 3.23Å; D525-C528 WeakPolarHBondContact O-CB 3.39Å; D525-C528 PolarHBondContact O-N 3.2Å; D525-A529 PolarHBondContact O-N 2.99Å
526	I	91.2	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-44.3	173.5	-63.7	179.3	0	0	0	111.1	L469 D471 I518 R522 Q523 C528 A529 K530	L469-I526 HydrophobicContact CB-CD1 3.53Å; D471-I526 HydrophobicContact CB-CD1 4.36Å; D471-I526 HydrophobicContact CB-CG2 3.5Å; I518-I526 HydrophobicContact CB-CG2 4.47Å; I518-I526 HydrophobicContact CG2-CB 4.42Å; I518-I526 HydrophobicContact CG2-CG1 4.21Å; I518-I526 HydrophobicContact CG2-CG2 4.24Å; R522-I526 PolarHBondContact O-N 3.36Å; Q523-I526 PolarHBondContact O-N 3.47Å; I526-C528 VanDerWaalsContact C-N 3.34Å; I526-C528 PolarHBondContact O-N 3.27Å; I526-A529 PolarHBondContact O-N 3.12Å; I526-K530 WeakPolarHBondContact O-CG 3.47Å; I526-K530 PolarHBondContact O-N 3.13Å
527	E	92.4	Very high	91.1	Very high	85 Å²	85	41 Å²	41	40%	0.397	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-40.3	175.3	-72	168.5	-174.5	0	0	112	Y354 Q523 K530 E531	Y354-E527 HydrophobicContact CE1-CB 4.4Å; Q523-E527 HydrophobicContact CG-CG 4.46Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.43Å; Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 3.37Å; E527-K530 PolarHBondContact O-N 3.06Å; E527-E531 PolarHBondContact O-N 3.32Å
528	C	92.4	Very high	90.7	Very high	6 Å²	6	47 Å²	47	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-51.7	172.4	-173.9	0	0	0	0	110.9	F350 Y354 K524 D525 I526 K530 E531 F532	F350-C528 WeakPolarHBondContact CE2-O 3.4Å; Y354-C528 HydrophobicContact CD1-CB 3.47Å; Y354-C528 VanDerWaalsContact CD1-CB 3.47Å; Y354-C528 HydrophobicContact CE1-CB 3.7Å; Y354-C528 HydrophobicContact CG-CB 3.94Å; K524-C528 WeakPolarHBondContact O-CB 3.44Å; K524-C528 PolarHBondContact O-N 3.07Å; D525-C528 WeakPolarHBondContact O-CB 3.39Å; D525-C528 PolarHBondContact O-N 3.2Å; I526-C528 VanDerWaalsContact C-N 3.34Å; I526-C528 PolarHBondContact O-N 3.27Å; C528-K530 PolarHBondContact O-N 2.91Å; C528-E531 PolarHBondContact O-N 3.46Å; C528-F532 WeakPolarHBondContact O-CB 3.4Å; C528-F532 PolarHBondContact O-N 3.01Å
529	A	93.1	Very high	90	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-41	178	0	0	0	0	0	112.8	I494 T500 I502 I518 D525 I526 F532 I533	I494-A529 HydrophobicContact CG2-CB 4.33Å; T500-A529 HydrophobicContact CG2-CB 4.03Å; I502-A529 HydrophobicContact CD1-CB 4.43Å; I518-A529 HydrophobicContact CD1-CB 3.92Å; I518-A529 HydrophobicContact CG2-CB 3.81Å; D525-A529 PolarHBondContact O-N 2.99Å; I526-A529 PolarHBondContact O-N 3.12Å; A529-F532 PolarHBondContact O-N 3.18Å; A529-I533 WeakPolarHBondContact O-CG1 3.49Å; A529-I533 PolarHBondContact O-N 2.95Å
530	K	93.1	Very high	89.3	Confident	53 Å²	53	47.8 Å²	47.8	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-48.7	175.3	-78.2	-172.5	164.1	-177.5	0	112.2	D471 L473 I518 I526 E527 C528 F532 I533 H534	D471-K530 VanDerWaalsContact CG-CE 3.43Å; D471-K530 WeakPolarHBondContact OD1-CE 3.28Å; D471-K530 IonicContact OD1-NZ 3.26Å; D471-K530 PolarHBondContact OD1-NZ 3.04Å; D471-K530 VanDerWaalsContact OD2-CE 3.3Å; D471-K530 WeakPolarHBondContact OD2-CE 3.33Å; D471-K530 IonicContact OD2-NZ 2.69Å; D471-K530 PolarHBondContact OD2-NZ 2.79Å; L473-K530 HydrophobicContact CD2-CG 3.94Å; I518-K530 HydrophobicContact CD1-CG 3.66Å; I526-K530 WeakPolarHBondContact O-CG 3.47Å; I526-K530 PolarHBondContact O-N 3.13Å; E527-K530 PolarHBondContact O-N 3.06Å; C528-K530 PolarHBondContact O-N 2.91Å; K530-F532 VanDerWaalsContact C-N 3.34Å; K530-I533 PolarHBondContact O-N 3.18Å; K530-H534 PolarHBondContact O-CD2 3.41Å; K530-H534 PolarHBondContact O-N 3.06Å
531	E	91.6	Very high	88.9	Confident	63 Å²	63	48 Å²	48	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-34	178.6	-76.3	-175.7	-148	0	0	112.4	F350 K353 Y354 E527 C528 H534 L535	F350-E531 HydrophobicContact CD2-CB 4.01Å; F350-E531 HydrophobicContact CE2-CB 4.04Å; K353-E531 IonicContact NZ-OE1 2.73Å; K353-E531 PolarHBondContact NZ-OE1 2.69Å; K353-E531 IonicContact NZ-OE2 2.89Å; K353-E531 PolarHBondContact NZ-OE2 2.93Å; Y354-E531 HydrophobicContact CE2-CB 4.21Å; Y354-E531 WeakPolarHBondContact CE2-OE2 3.4Å; Y354-E531 VanDerWaalsContact OH-CD 3.27Å; Y354-E531 PolarHBondContact OH-OE1 2.91Å; E527-E531 PolarHBondContact O-N 3.32Å; C528-E531 PolarHBondContact O-N 3.46Å; E531-H534 PolarHBondContact O-N 3.28Å; E531-L535 WeakPolarHBondContact O-CG 3.3Å; E531-L535 PolarHBondContact O-N 3.37Å
532	F	92.5	Very high	88.4	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-47.5	172.7	-151	150.8	0	0	0	111.1	F350 F358 I493 I494 F497 C528 A529 K530 H534 L535 I536 F543	F350-F532 AromaticContact CE1-CD1 3.95Å; F350-F532 HydrophobicContact CE1-CD1 3.95Å; F350-F532 HydrophobicContact CE1-CE1 4.28Å; F350-F532 HydrophobicContact CE1-CG 4.14Å; F350-F532 HydrophobicContact CE2-CB 4.09Å; F350-F532 HydrophobicContact CZ-CB 3.74Å; F350-F532 AromaticContact CZ-CD1 3.62Å; F350-F532 HydrophobicContact CZ-CD1 3.62Å; F350-F532 HydrophobicContact CZ-CE1 4.38Å; F350-F532 AromaticContact CZ-CG 3.75Å; F350-F532 HydrophobicContact CZ-CG 3.75Å; F358-F532 HydrophobicContact CE1-CE1 4.17Å; F358-F532 AromaticContact CE1-CZ 3.91Å; F358-F532 HydrophobicContact CE1-CZ 3.91Å; F358-F532 HydrophobicContact CZ-CE1 4.36Å; F358-F532 HydrophobicContact CZ-CE2 4.46Å; F358-F532 AromaticContact CZ-CZ 3.77Å; F358-F532 HydrophobicContact CZ-CZ 3.77Å; I493-F532 HydrophobicContact CG2-CZ 4.2Å; I494-F532 HydrophobicContact CB-CD1 4.41Å; I494-F532 HydrophobicContact CG1-CD1 4.32Å; I494-F532 HydrophobicContact CG1-CD2 4.07Å; I494-F532 HydrophobicContact CG1-CE2 4.26Å; I494-F532 HydrophobicContact CG1-CG 4.1Å; I494-F532 HydrophobicContact CG1-CZ 4.49Å; I494-F532 HydrophobicContact CG2-CB 4.06Å; I494-F532 HydrophobicContact CG2-CD1 4.11Å; I494-F532 HydrophobicContact CG2-CG 4.13Å; F497-F532 HydrophobicContact CB-CE1 4.02Å; F497-F532 HydrophobicContact CD2-CE1 4.36Å; C528-F532 WeakPolarHBondContact O-CB 3.4Å; C528-F532 PolarHBondContact O-N 3.01Å; A529-F532 PolarHBondContact O-N 3.18Å; K530-F532 VanDerWaalsContact C-N 3.34Å; F532-H534 VanDerWaalsContact C-N 3.32Å; F532-H534 PolarHBondContact O-N 2.61Å; F532-L535 WeakPolarHBondContact O-CB 3.28Å; F532-L535 PolarHBondContact O-N 2.92Å; F532-I536 HydrophobicContact CD2-CD1 3.89Å; F532-I536 HydrophobicContact CD2-CG1 4.4Å; F532-I536 HydrophobicContact CE2-CD1 4.09Å; F532-I536 PolarHBondContact O-N 2.92Å; F532-I536 VanDerWaalsContact O-N 3.16Å; F532-F543 HydrophobicContact CE2-CD2 4.38Å; F532-F543 AromaticContact CE2-CE2 3.57Å; F532-F543 HydrophobicContact CE2-CE2 3.57Å; F532-F543 AromaticContact CE2-CZ 3.65Å; F532-F543 HydrophobicContact CE2-CZ 3.65Å; F532-F543 HydrophobicContact CZ-CE1 4.4Å; F532-F543 HydrophobicContact CZ-CE2 4.21Å; F532-F543 AromaticContact CZ-CZ 3.8Å; F532-F543 HydrophobicContact CZ-CZ 3.8Å
533	I	92	Very high	88	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-42.9	174.4	-70.3	165.8	0	0	0	110.7	L473 I483 I494 I502 V516 I518 A529 K530 L535 I536 I537	L473-I533 HydrophobicContact CD1-CG2 4.27Å; L473-I533 HydrophobicContact CD2-CD1 4.1Å; I483-I533 HydrophobicContact CD1-CG2 3.94Å; I483-I533 HydrophobicContact CG1-CG2 4.37Å; I483-I533 HydrophobicContact CG2-CG1 4.35Å; I494-I533 HydrophobicContact CD1-CG1 4.09Å; I502-I533 HydrophobicContact CD1-CD1 4.41Å; V516-I533 HydrophobicContact CG1-CD1 4.29Å; I518-I533 HydrophobicContact CD1-CD1 4.03Å; A529-I533 WeakPolarHBondContact O-CG1 3.49Å; A529-I533 PolarHBondContact O-N 2.95Å; K530-I533 PolarHBondContact O-N 3.18Å; I533-L535 VanDerWaalsContact C-N 3.35Å; I533-L535 PolarHBondContact O-N 3.4Å; I533-I536 PolarHBondContact O-N 3.43Å; I533-I537 HydrophobicContact CG2-CD1 3.61Å; I533-I537 HydrophobicContact CG2-CG1 4.26Å; I533-I537 WeakPolarHBondContact O-CG1 3.26Å; I533-I537 PolarHBondContact O-N 2.82Å
534	H	90.1	Very high	87.3	Confident	89 Å²	89	36.4 Å²	36.4	41%	0.412	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-37.4	176.6	-77.7	-158.7	0	0	0	112.9	K530 E531 F532 I537 F538	K530-H534 PolarHBondContact O-CD2 3.41Å; K530-H534 PolarHBondContact O-N 3.06Å; E531-H534 PolarHBondContact O-N 3.28Å; F532-H534 VanDerWaalsContact C-N 3.32Å; F532-H534 PolarHBondContact O-N 2.61Å; H534-I537 PolarHBondContact O-N 2.7Å; H534-F538 HydrophobicContact CB-CD2 4.05Å; H534-F538 WeakPolarHBondContact O-CB 3.31Å; H534-F538 WeakPolarHBondContact O-CD2 3.15Å; H534-F538 PolarHBondContact O-N 3.37Å
535	L	89	Confident	86.6	Confident	10 Å²	10	35 Å²	35	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-42.4	173.5	-74.5	165.4	0	0	0	111.9	L347 F350 E531 F532 I533 H539 S540 I541	L347-L535 HydrophobicContact CD1-CD1 4.12Å; F350-L535 HydrophobicContact CB-CD1 3.58Å; F350-L535 HydrophobicContact CD1-CD1 3.73Å; F350-L535 HydrophobicContact CD2-CD1 3.73Å; F350-L535 HydrophobicContact CE1-CD1 4.36Å; F350-L535 HydrophobicContact CE2-CD1 4.36Å; F350-L535 HydrophobicContact CG-CD1 3.38Å; E531-L535 WeakPolarHBondContact O-CG 3.3Å; E531-L535 PolarHBondContact O-N 3.37Å; F532-L535 WeakPolarHBondContact O-CB 3.28Å; F532-L535 PolarHBondContact O-N 2.92Å; I533-L535 VanDerWaalsContact C-N 3.35Å; I533-L535 PolarHBondContact O-N 3.4Å; L535-H539 HydrophobicContact CD2-CB 4.12Å; L535-H539 CarbonylContact O-C 3.5Å; L535-H539 VanDerWaalsContact O-C 3.31Å; L535-H539 VanDerWaalsContact O-CA 3.32Å; L535-H539 WeakPolarHBondContact O-CA 3.5Å; L535-H539 VanDerWaalsContact O-CB 3.31Å; L535-H539 WeakPolarHBondContact O-CB 3.31Å; L535-H539 PolarHBondContact O-N 3.1Å; L535-H539 VanDerWaalsContact O-N 3.08Å; L535-S540 PolarHBondContact O-N 3.13Å; L535-I541 HydrophobicContact CB-CG1 4.13Å; L535-I541 WeakPolarHBondContact O-CG1 3.2Å; L535-I541 PolarHBondContact O-N 2.9Å
536	I	88.1	Confident	85.9	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-41	179.5	-67	162.8	0	0	0	111.3	R482 I490 I494 F532 I533 F543	R482-I536 HydrophobicContact CB-CG2 4.24Å; R482-I536 WeakPolarHBondContact O-CG2 3.5Å; I490-I536 HydrophobicContact CG2-CD1 3.81Å; I494-I536 HydrophobicContact CD1-CD1 3.59Å; I494-I536 HydrophobicContact CG1-CD1 4.02Å; F532-I536 HydrophobicContact CD2-CD1 3.89Å; F532-I536 HydrophobicContact CD2-CG1 4.4Å; F532-I536 HydrophobicContact CE2-CD1 4.09Å; F532-I536 PolarHBondContact O-N 2.92Å; F532-I536 VanDerWaalsContact O-N 3.16Å; I533-I536 PolarHBondContact O-N 3.43Å; I536-F543 HydrophobicContact CD1-CD2 4.37Å; I536-F543 HydrophobicContact CG1-CD2 4.13Å
537	I	86.4	Confident	85.1	Confident	15 Å²	15	34.7 Å²	34.7	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-74.7	-54.2	-179.2	-61.4	172	0	0	0	111.9	V475 H479 I483 I533 H534	V475-I537 HydrophobicContact CG1-CD1 4.23Å; V475-I537 HydrophobicContact CG2-CD1 4.49Å; H479-I537 HydrophobicContact CB-CG1 4.26Å; I483-I537 HydrophobicContact CD1-CD1 3.91Å; I483-I537 HydrophobicContact CD1-CG1 4.12Å; I483-I537 HydrophobicContact CG1-CG1 4.31Å; I533-I537 HydrophobicContact CG2-CD1 3.61Å; I533-I537 HydrophobicContact CG2-CG1 4.26Å; I533-I537 WeakPolarHBondContact O-CG1 3.26Å; I533-I537 PolarHBondContact O-N 2.82Å; H534-I537 PolarHBondContact O-N 2.7Å
538	F	83.6	Confident	84.1	Confident	130 Å²	130	33.9 Å²	33.9	57%	0.57	17%	0.168	S	C	*	.	H	α-helix	trans	-100.3	-28.2	-165.4	-59.3	-69.8	0	0	0	114	H534	H534-F538 HydrophobicContact CB-CD2 4.05Å; H534-F538 WeakPolarHBondContact O-CB 3.31Å; H534-F538 WeakPolarHBondContact O-CD2 3.15Å; H534-F538 PolarHBondContact O-N 3.37Å
539	H	79.2	Confident	83	Confident	61 Å²	61	34.7 Å²	34.7	28%	0.282	17%	0.171	S	C	.	.	S	Bend	trans	-97.8	10.5	173.9	-67.9	-76.5	0	0	0	112.8	N343 S346 L535 I541	N343-H539 HydrophobicContact CB-CB 4.26Å; N343-H539 PolarHBondContact ND2-O 3.04Å; N343-H539 WeakPolarHBondContact OD1-CB 3.33Å; N343-H539 PolarHBondContact OD1-ND1 2.84Å; S346-H539 PolarHBondContact OG-CE1 3.4Å; S346-H539 VanDerWaalsContact OG-CE1 3.25Å; L535-H539 HydrophobicContact CD2-CB 4.12Å; L535-H539 CarbonylContact O-C 3.5Å; L535-H539 VanDerWaalsContact O-C 3.31Å; L535-H539 VanDerWaalsContact O-CA 3.32Å; L535-H539 WeakPolarHBondContact O-CA 3.5Å; L535-H539 VanDerWaalsContact O-CB 3.31Å; L535-H539 WeakPolarHBondContact O-CB 3.31Å; L535-H539 PolarHBondContact O-N 3.1Å; L535-H539 VanDerWaalsContact O-N 3.08Å; H539-I541 HydrophobicContact CB-CD1 4.22Å; H539-I541 HydrophobicContact CB-CG1 4.05Å; H539-I541 WeakPolarHBondContact O-CD1 3.38Å; H539-I541 PolarHBondContact O-N 3.24Å
540	S	77.6	Confident	81.9	Confident	48 Å²	48	34.9 Å²	34.9	34%	0.336	17%	0.172	S	C	.	.			trans	48.1	34.4	174.4	-65.1	0	0	0	0	114.6	L535 R542	L535-S540 PolarHBondContact O-N 3.13Å; S540-R542 VanDerWaalsContact O-CG 3.25Å; S540-R542 WeakPolarHBondContact O-CG 3.21Å; S540-R542 PolarHBondContact O-N 3.01Å
541	I	82.5	Confident	80.7	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.17	C	C	.	.			trans	-69.6	117.1	-175.9	-57.7	-59.8	0	0	0	110.2	L312 T313 N343 L347 L535 H539 F543	L312-I541 HydrophobicContact CB-CG2 4.02Å; L312-I541 HydrophobicContact CD1-CG2 4.17Å; L312-I541 HydrophobicContact CD2-CG2 4.15Å; L312-I541 HydrophobicContact CG-CG2 4.35Å; T313-I541 HydrophobicContact CG2-CD1 3.93Å; N343-I541 HydrophobicContact CB-CD1 3.98Å; L347-I541 HydrophobicContact CB-CD1 4.38Å; L347-I541 HydrophobicContact CD2-CD1 4.23Å; L347-I541 HydrophobicContact CD2-CG2 4.07Å; L535-I541 HydrophobicContact CB-CG1 4.13Å; L535-I541 WeakPolarHBondContact O-CG1 3.2Å; L535-I541 PolarHBondContact O-N 2.9Å; H539-I541 HydrophobicContact CB-CD1 4.22Å; H539-I541 HydrophobicContact CB-CG1 4.05Å; H539-I541 WeakPolarHBondContact O-CD1 3.38Å; H539-I541 PolarHBondContact O-N 3.24Å; I541-F543 HydrophobicContact CB-CE2 4.44Å; I541-F543 HydrophobicContact CG2-CD2 3.74Å; I541-F543 HydrophobicContact CG2-CE2 3.46Å; I541-F543 VanDerWaalsContact CG2-CE2 3.46Å; I541-F543 HydrophobicContact CG2-CZ 4.46Å; I541-F543 PolarHBondContact O-N 3.35Å
542	R	78.9	Confident	79.6	Confident	79 Å²	79	33.3 Å²	33.3	30%	0.298	17%	0.173	S	C	.	.			trans	-89.5	62.3	-162.1	-55	-178.8	-60.1	178.5	9.5	113.8	V311 L312 S540 G544 L545	V311-R542 PolarHBondContact O-NH2 3.39Å; V311-R542 VanDerWaalsContact O-NH2 3.1Å; L312-R542 PolarHBondContact O-N 3.07Å; S540-R542 VanDerWaalsContact O-CG 3.25Å; S540-R542 WeakPolarHBondContact O-CG 3.21Å; S540-R542 PolarHBondContact O-N 3.01Å; R542-G544 PolarHBondContact O-N 3.02Å; R542-L545 HydrophobicContact CB-CD1 3.86Å; R542-L545 HydrophobicContact CB-CG 4.13Å; R542-L545 VanDerWaalsContact CZ-CD1 3.47Å; R542-L545 PolarHBondContact O-N 2.92Å
543	F	81.1	Confident	78.4	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-30.6	179.2	-85.1	-87.8	0	0	0	114.4	L312 F358 I490 I493 F532 I536 I541 L545 I546 T547	L312-F543 HydrophobicContact CD1-CD1 4.48Å; L312-F543 HydrophobicContact CD1-CE1 3.86Å; L312-F543 HydrophobicContact CD1-CE2 3.97Å; L312-F543 HydrophobicContact CD1-CZ 3.56Å; L312-F543 HydrophobicContact CD2-CB 4.3Å; L312-F543 HydrophobicContact CD2-CD1 3.88Å; L312-F543 HydrophobicContact CD2-CD2 3.92Å; L312-F543 HydrophobicContact CD2-CE1 4.1Å; L312-F543 HydrophobicContact CD2-CE2 4.12Å; L312-F543 HydrophobicContact CD2-CG 3.79Å; L312-F543 HydrophobicContact CD2-CZ 4.2Å; F358-F543 HydrophobicContact CE2-CE1 4.45Å; F358-F543 AromaticContact CE2-CZ 3.89Å; F358-F543 HydrophobicContact CE2-CZ 3.89Å; F358-F543 HydrophobicContact CZ-CE1 4.3Å; F358-F543 AromaticContact CZ-CZ 3.69Å; F358-F543 HydrophobicContact CZ-CZ 3.69Å; I490-F543 HydrophobicContact CD1-CB 3.87Å; I490-F543 HydrophobicContact CG1-CB 3.9Å; I490-F543 HydrophobicContact CG2-CB 4.19Å; I493-F543 HydrophobicContact CG2-CD1 4.4Å; I493-F543 HydrophobicContact CG2-CE1 4.2Å; F532-F543 HydrophobicContact CE2-CD2 4.38Å; F532-F543 AromaticContact CE2-CE2 3.57Å; F532-F543 HydrophobicContact CE2-CE2 3.57Å; F532-F543 AromaticContact CE2-CZ 3.65Å; F532-F543 HydrophobicContact CE2-CZ 3.65Å; F532-F543 HydrophobicContact CZ-CE1 4.4Å; F532-F543 HydrophobicContact CZ-CE2 4.21Å; F532-F543 AromaticContact CZ-CZ 3.8Å; F532-F543 HydrophobicContact CZ-CZ 3.8Å; I536-F543 HydrophobicContact CD1-CD2 4.37Å; I536-F543 HydrophobicContact CG1-CD2 4.13Å; I541-F543 HydrophobicContact CB-CE2 4.44Å; I541-F543 HydrophobicContact CG2-CD2 3.74Å; I541-F543 HydrophobicContact CG2-CE2 3.46Å; I541-F543 VanDerWaalsContact CG2-CE2 3.46Å; I541-F543 HydrophobicContact CG2-CZ 4.46Å; I541-F543 PolarHBondContact O-N 3.35Å; F543-L545 PolarHBondContact O-N 3.4Å; F543-I546 PolarHBondContact O-N 2.8Å; F543-T547 PolarHBondContact O-N 3.09Å; F543-T547 VanDerWaalsContact O-N 3.11Å
544	G	75.7	Confident	77.2	Confident	21 Å²	21	35.3 Å²	35.3	22%	0.216	18%	0.184	C	C	.	.	H	α-helix	trans	-50.2	-39.9	175.6	0	0	0	0	0	113.8	R542 I546 T547 D548	R542-G544 PolarHBondContact O-N 3.02Å; G544-I546 VanDerWaalsContact C-N 3.26Å; G544-I546 PolarHBondContact O-N 3.45Å; G544-T547 VanDerWaalsContact CA-OG1 3.31Å; G544-T547 WeakPolarHBondContact CA-OG1 3.36Å; G544-T547 PolarHBondContact O-N 2.87Å; G544-T547 PolarHBondContact O-OG1 3.27Å; G544-D548 VanDerWaalsContact O-CB 3.26Å; G544-D548 WeakPolarHBondContact O-CB 3.45Å; G544-D548 PolarHBondContact O-N 2.78Å
545	L	76.2	Confident	76	Confident	50 Å²	50	32.7 Å²	32.7	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-35.8	179.5	-65	177	0	0	0	112.8	V311 R542 F543 Q549 P580	V311-L545 HydrophobicContact CG1-CB 4.38Å; R542-L545 HydrophobicContact CB-CD1 3.86Å; R542-L545 HydrophobicContact CB-CG 4.13Å; R542-L545 VanDerWaalsContact CZ-CD1 3.47Å; R542-L545 PolarHBondContact O-N 2.92Å; F543-L545 PolarHBondContact O-N 3.4Å; L545-Q549 WeakPolarHBondContact O-CB 3.39Å; L545-Q549 PolarHBondContact O-N 3.1Å; L545-P580 HydrophobicContact CD2-CG 4.38Å
546	I	76.7	Confident	75	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-80.7	-42.1	179.5	-65.3	-177.2	0	0	0	110.4	I308 V311 L312 I363 F543 G544 L550 F573	I308-I546 HydrophobicContact CB-CD1 4.26Å; I308-I546 HydrophobicContact CG1-CD1 4.22Å; I308-I546 HydrophobicContact CG2-CD1 3.81Å; V311-I546 HydrophobicContact CG1-CD1 4.35Å; V311-I546 HydrophobicContact CG1-CG1 3.92Å; L312-I546 HydrophobicContact CD1-CD1 4.44Å; L312-I546 HydrophobicContact CD2-CD1 3.74Å; L312-I546 HydrophobicContact CD2-CG1 4.33Å; L312-I546 HydrophobicContact CG-CD1 3.74Å; I363-I546 HydrophobicContact CG2-CG2 4.16Å; F543-I546 PolarHBondContact O-N 2.8Å; G544-I546 VanDerWaalsContact C-N 3.26Å; G544-I546 PolarHBondContact O-N 3.45Å; I546-L550 HydrophobicContact CG2-CD1 3.75Å; I546-L550 HydrophobicContact CG2-CG 4.36Å; I546-L550 VanDerWaalsContact O-CB 3.3Å; I546-L550 WeakPolarHBondContact O-CB 3.39Å; I546-L550 VanDerWaalsContact O-CG 3.28Å; I546-L550 WeakPolarHBondContact O-CG 3.41Å; I546-L550 PolarHBondContact O-N 2.86Å; I546-F573 HydrophobicContact CG2-CZ 4.35Å
547	T	75.1	Confident	74	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-45.7	179.4	55.9	0	0	0	0	111	S489 I490 I493 F543 G544 L550 V551	S489-T547 WeakPolarHBondContact OG-CG2 3.49Å; I490-T547 HydrophobicContact CG1-CG2 4.16Å; I493-T547 HydrophobicContact CD1-CG2 3.86Å; F543-T547 PolarHBondContact O-N 3.09Å; F543-T547 VanDerWaalsContact O-N 3.11Å; G544-T547 VanDerWaalsContact CA-OG1 3.31Å; G544-T547 WeakPolarHBondContact CA-OG1 3.36Å; G544-T547 PolarHBondContact O-N 2.87Å; G544-T547 PolarHBondContact O-OG1 3.27Å; T547-L550 PolarHBondContact O-N 3.09Å; T547-V551 WeakPolarHBondContact O-CB 3.24Å; T547-V551 VanDerWaalsContact O-CG2 3.24Å; T547-V551 WeakPolarHBondContact O-CG2 3.37Å; T547-V551 PolarHBondContact O-N 3.06Å
548	D	70.9	Confident	72.8	Confident	68 Å²	68	38 Å²	38	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-71	-37.5	-176.1	-58.1	-17.8	0	0	0	110.6	T486 G544 S552	T486-D548 VanDerWaalsContact CG2-OD1 3.28Å; T486-D548 WeakPolarHBondContact CG2-OD1 3.45Å; T486-D548 PolarHBondContact OG1-OD1 2.64Å; G544-D548 VanDerWaalsContact O-CB 3.26Å; G544-D548 WeakPolarHBondContact O-CB 3.45Å; G544-D548 PolarHBondContact O-N 2.78Å; D548-S552 WeakPolarHBondContact O-CB 3.17Å; D548-S552 PolarHBondContact O-N 3.06Å; D548-S552 PolarHBondContact O-OG 3.24Å
549	Q	69.9	Low	71.8	Confident	24 Å²	24	36 Å²	36	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-44	173.5	-177.4	167	70.1	0	0	112.5	L545 S552 Q553 M578	L545-Q549 WeakPolarHBondContact O-CB 3.39Å; L545-Q549 PolarHBondContact O-N 3.1Å; Q549-S552 PolarHBondContact O-N 2.95Å; Q549-Q553 WeakPolarHBondContact O-CG 3.28Å; Q549-Q553 PolarHBondContact O-N 3.21Å; Q549-M578 PolarHBondContact NE2-O 3.26Å; Q549-M578 VanDerWaalsContact NE2-O 3.13Å
550	L	70.2	Confident	71.2	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-40.4	176.6	-78.1	173	0	0	0	112.4	I363 S364 I546 T547 Q553 A554 F573	I363-L550 HydrophobicContact CG2-CD1 3.86Å; S364-L550 WeakPolarHBondContact OG-CD2 3.37Å; I546-L550 HydrophobicContact CG2-CD1 3.75Å; I546-L550 HydrophobicContact CG2-CG 4.36Å; I546-L550 VanDerWaalsContact O-CB 3.3Å; I546-L550 WeakPolarHBondContact O-CB 3.39Å; I546-L550 VanDerWaalsContact O-CG 3.28Å; I546-L550 WeakPolarHBondContact O-CG 3.41Å; I546-L550 PolarHBondContact O-N 2.86Å; T547-L550 PolarHBondContact O-N 3.09Å; L550-Q553 PolarHBondContact O-N 2.91Å; L550-A554 WeakPolarHBondContact O-CB 3.46Å; L550-A554 PolarHBondContact O-N 3.43Å; L550-F573 HydrophobicContact CD1-CE2 4.31Å; L550-F573 HydrophobicContact CD2-CD2 4.1Å; L550-F573 HydrophobicContact CD2-CE2 3.74Å; L550-F573 HydrophobicContact CG-CE2 4.08Å
551	V	66.7	Low	70.2	Confident	32 Å²	32	40.8 Å²	40.8	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-43.1	173.4	169.8	0	0	0	0	110.5	T371 T547 A554 V555	T371-V551 HydrophobicContact CG2-CG1 4.33Å; T371-V551 HydrophobicContact CG2-CG2 3.86Å; T547-V551 WeakPolarHBondContact O-CB 3.24Å; T547-V551 VanDerWaalsContact O-CG2 3.24Å; T547-V551 WeakPolarHBondContact O-CG2 3.37Å; T547-V551 PolarHBondContact O-N 3.06Å; V551-A554 WeakPolarHBondContact O-CB 3.47Å; V551-A554 PolarHBondContact O-N 3.06Å; V551-V555 VanDerWaalsContact O-CG2 3.3Å; V551-V555 WeakPolarHBondContact O-CG2 3.3Å; V551-V555 PolarHBondContact O-N 3Å
552	S	68.5	Low	69	Low	51 Å²	51	46.3 Å²	46.3	36%	0.357	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-42.6	178.3	-57.9	0	0	0	0	112.2	D548 Q549 V555 N556	D548-S552 WeakPolarHBondContact O-CB 3.17Å; D548-S552 PolarHBondContact O-N 3.06Å; D548-S552 PolarHBondContact O-OG 3.24Å; Q549-S552 PolarHBondContact O-N 2.95Å; S552-V555 PolarHBondContact O-N 3.18Å; S552-N556 VanDerWaalsContact O-CG 3.27Å; S552-N556 PolarHBondContact O-N 3.28Å; S552-N556 PolarHBondContact O-ND2 3.11Å
553	Q	69.1	Low	68.1	Low	38 Å²	38	50 Å²	50	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.6	-75.8	-178.2	-9.4	0	0	112.4	Q549 L550 N556 A557 I571 C577	Q549-Q553 WeakPolarHBondContact O-CG 3.28Å; Q549-Q553 PolarHBondContact O-N 3.21Å; L550-Q553 PolarHBondContact O-N 2.91Å; Q553-N556 PolarHBondContact O-N 2.99Å; Q553-A557 WeakPolarHBondContact O-CB 3.09Å; Q553-A557 PolarHBondContact O-N 3.21Å; Q553-I571 HydrophobicContact CB-CG2 4.34Å; Q553-C577 PolarHBondContact NE2-SG 3.17Å
554	A	64.9	Low	66.7	Low	5 Å²	5	52.2 Å²	52.2	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-50.1	175.3	0	0	0	0	0	111.4	L368 L550 V551 N556 A557 I558 I571	L368-A554 HydrophobicContact CD2-CB 3.35Å; L550-A554 WeakPolarHBondContact O-CB 3.46Å; L550-A554 PolarHBondContact O-N 3.43Å; V551-A554 WeakPolarHBondContact O-CB 3.47Å; V551-A554 PolarHBondContact O-N 3.06Å; A554-N556 VanDerWaalsContact C-N 3.34Å; A554-N556 PolarHBondContact O-N 2.95Å; A554-A557 WeakPolarHBondContact O-CB 3.13Å; A554-A557 PolarHBondContact O-N 3.31Å; A554-A557 VanDerWaalsContact O-N 3.11Å; A554-I558 VanDerWaalsContact O-CG1 3.27Å; A554-I558 WeakPolarHBondContact O-CG1 3.25Å; A554-I558 PolarHBondContact O-N 3.34Å; A554-I571 HydrophobicContact CB-CD1 4.28Å
555	V	65.8	Low	65.4	Low	34 Å²	34	61.1 Å²	61.1	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-47	178.4	173.6	0	0	0	0	111.1	V551 S552 A557 I558 E559 L693	V551-V555 VanDerWaalsContact O-CG2 3.3Å; V551-V555 WeakPolarHBondContact O-CG2 3.3Å; V551-V555 PolarHBondContact O-N 3Å; S552-V555 PolarHBondContact O-N 3.18Å; V555-A557 VanDerWaalsContact C-N 3.31Å; V555-A557 PolarHBondContact O-N 3.17Å; V555-I558 WeakPolarHBondContact O-CB 3.48Å; V555-I558 PolarHBondContact O-N 3.04Å; V555-E559 PolarHBondContact O-N 2.86Å; V555-L693 HydrophobicContact CG2-CD1 3.57Å; V555-L693 HydrophobicContact CG2-CG 4.4Å
556	N	68.1	Low	63.7	Low	86 Å²	86	66.7 Å²	66.7	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-33.7	177.3	-69.7	-24	0	0	0	113.1	S552 Q553 A554 K560	S552-N556 VanDerWaalsContact O-CG 3.27Å; S552-N556 PolarHBondContact O-N 3.28Å; S552-N556 PolarHBondContact O-ND2 3.11Å; Q553-N556 PolarHBondContact O-N 2.99Å; A554-N556 VanDerWaalsContact C-N 3.34Å; A554-N556 PolarHBondContact O-N 2.95Å; N556-K560 VanDerWaalsContact O-CG 3.32Å; N556-K560 WeakPolarHBondContact O-CG 3.23Å; N556-K560 PolarHBondContact O-N 3.14Å; N556-K560 VanDerWaalsContact O-N 3.13Å
557	A	66.3	Low	62	Low	19 Å²	19	69 Å²	69	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-38	175.3	0	0	0	0	0	112.1	Q553 A554 V555 K560 Q561	Q553-A557 WeakPolarHBondContact O-CB 3.09Å; Q553-A557 PolarHBondContact O-N 3.21Å; A554-A557 WeakPolarHBondContact O-CB 3.13Å; A554-A557 PolarHBondContact O-N 3.31Å; A554-A557 VanDerWaalsContact O-N 3.11Å; V555-A557 VanDerWaalsContact C-N 3.31Å; V555-A557 PolarHBondContact O-N 3.17Å; A557-K560 PolarHBondContact O-N 3.13Å; A557-Q561 PolarHBondContact O-N 3.17Å
558	I	61.1	Low	60.5	Low	38 Å²	38	75.9 Å²	75.9	20%	0.195	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-48.1	173.4	-59	160.5	0	0	0	110.3	W372 A554 V555 K560 Q561 M562	W372-I558 HydrophobicContact CH2-CD1 3.47Å; W372-I558 VanDerWaalsContact CH2-CD1 3.47Å; W372-I558 HydrophobicContact CH2-CG1 3.58Å; W372-I558 HydrophobicContact CH2-CG2 4.42Å; W372-I558 HydrophobicContact CZ2-CD1 3.14Å; W372-I558 HydrophobicContact CZ2-CG1 3.33Å; W372-I558 HydrophobicContact CZ3-CD1 4.48Å; A554-I558 VanDerWaalsContact O-CG1 3.27Å; A554-I558 WeakPolarHBondContact O-CG1 3.25Å; A554-I558 PolarHBondContact O-N 3.34Å; V555-I558 WeakPolarHBondContact O-CB 3.48Å; V555-I558 PolarHBondContact O-N 3.04Å; I558-K560 PolarHBondContact O-N 3.43Å; I558-Q561 CarbonylContact O-C 3.59Å; I558-Q561 PolarHBondContact O-N 2.86Å; I558-Q561 VanDerWaalsContact O-N 3.07Å; I558-M562 HydrophobicContact CG2-CE 3.94Å; I558-M562 HydrophobicContact CG2-CG 4.25Å; I558-M562 HydrophobicContact CG2-SD 4.24Å; I558-M562 WeakPolarHBondContact O-CG 3.3Å; I558-M562 PolarHBondContact O-N 2.85Å
559	E	63.1	Low	59.3	Low	86 Å²	86	79 Å²	79	40%	0.402	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-36.3	-178.9	-163.3	-171.1	159	0	0	111.2	V555 K563	V555-E559 PolarHBondContact O-N 2.86Å; E559-K563 VanDerWaalsContact O-CG 3.31Å; E559-K563 WeakPolarHBondContact O-CG 3.21Å; E559-K563 PolarHBondContact O-N 3.43Å; E559-K563 WeakPolarHBondContact OE1-CE 3.33Å; E559-K563 IonicContact OE1-NZ 2.71Å; E559-K563 PolarHBondContact OE1-NZ 2.93Å
560	K	66.2	Low	58.1	Low	128 Å²	128	84.4 Å²	84.4	56%	0.557	43%	0.429	S	S	*	.	H	α-helix	trans	-65.7	-47.1	170.6	-73.7	175.5	-179	-178.1	0	112	N556 A557 I558 M562 K563 S564	N556-K560 VanDerWaalsContact O-CG 3.32Å; N556-K560 WeakPolarHBondContact O-CG 3.23Å; N556-K560 PolarHBondContact O-N 3.14Å; N556-K560 VanDerWaalsContact O-N 3.13Å; A557-K560 PolarHBondContact O-N 3.13Å; I558-K560 PolarHBondContact O-N 3.43Å; K560-M562 PolarHBondContact O-N 2.79Å; K560-K563 CarbonylContact O-C 3.51Å; K560-K563 PolarHBondContact O-N 3.39Å; K560-K563 VanDerWaalsContact O-N 3.09Å; K560-S564 PolarHBondContact O-N 3.38Å; K560-S564 PolarHBondContact O-OG 3.32Å
561	Q	57.9	Low	57.1	Low	82 Å²	82	86.6 Å²	86.6	38%	0.383	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-38.2	175.6	-83.3	-169.7	-24.9	0	0	113.6	A557 I558 K563 S564 G567 Y569	A557-Q561 PolarHBondContact O-N 3.17Å; I558-Q561 CarbonylContact O-C 3.59Å; I558-Q561 PolarHBondContact O-N 2.86Å; I558-Q561 VanDerWaalsContact O-N 3.07Å; Q561-K563 PolarHBondContact O-N 3Å; Q561-S564 CarbonylContact O-C 3.43Å; Q561-S564 PolarHBondContact O-N 3.46Å; Q561-G567 PolarHBondContact NE2-O 3.38Å; Q561-Y569 HydrophobicContact CG-CD2 4.35Å
562	M	56.3	Low	56	Low	122 Å²	122	87 Å²	87	60%	0.601	45%	0.445	S	S	*	.	H	α-helix	trans	-64.9	-28.7	174.8	-73.3	-172.6	171.3	0	0	112.1	I558 K560 I700	I558-M562 HydrophobicContact CG2-CE 3.94Å; I558-M562 HydrophobicContact CG2-CG 4.25Å; I558-M562 HydrophobicContact CG2-SD 4.24Å; I558-M562 WeakPolarHBondContact O-CG 3.3Å; I558-M562 PolarHBondContact O-N 2.85Å; K560-M562 PolarHBondContact O-N 2.79Å; M562-I700 HydrophobicContact CE-CD1 3.92Å; M562-I700 HydrophobicContact CE-CG1 4.04Å
563	K	60.7	Low	55	Low	158 Å²	158	85.9 Å²	85.9	69%	0.687	43%	0.433	S	S	*	.	H	α-helix	trans	-86.8	-25.7	175	-68	172.5	-171.9	175.4	0	113.3	E559 K560 Q561	E559-K563 VanDerWaalsContact O-CG 3.31Å; E559-K563 WeakPolarHBondContact O-CG 3.21Å; E559-K563 PolarHBondContact O-N 3.43Å; E559-K563 WeakPolarHBondContact OE1-CE 3.33Å; E559-K563 IonicContact OE1-NZ 2.71Å; E559-K563 PolarHBondContact OE1-NZ 2.93Å; K560-K563 CarbonylContact O-C 3.51Å; K560-K563 PolarHBondContact O-N 3.39Å; K560-K563 VanDerWaalsContact O-N 3.09Å; Q561-K563 PolarHBondContact O-N 3Å
564	S	52.1	Low	53.9	Low	48 Å²	48	93 Å²	93	34%	0.336	46%	0.458	S	S	.	.			trans	-118.9	110.3	180	69	0	0	0	0	112.5	K560 Q561 H566	K560-S564 PolarHBondContact O-N 3.38Å; K560-S564 PolarHBondContact O-OG 3.32Å; Q561-S564 CarbonylContact O-C 3.43Å; Q561-S564 PolarHBondContact O-N 3.46Å; S564-H566 PolarHBondContact O-N 3.47Å
565	K	48.6	Very low	52.7	Low	209 Å²	209	98.6 Å²	98.6	91%	0.909	49%	0.488	S	S	*	.	S	Bend	trans	-59.8	3	-177.7	-74.7	-175.2	173.9	179.5	0	116.7
566	H	39.4	Very low	51.5	Low	167 Å²	167	99.8 Å²	99.8	77%	0.773	51%	0.507	S	S	*	.	S	Bend	trans	-137.1	137.9	-175.2	-75.9	15.5	0	0	0	111.9	S564	S564-H566 PolarHBondContact O-N 3.47Å
567	G	41.7	Very low	50.1	Low	49 Å²	49	96.7 Å²	96.7	51%	0.505	49%	0.492	S	S	.	.			trans	113.6	123.4	158.8	0	0	0	0	0	116	Q561	Q561-G567 PolarHBondContact NE2-O 3.38Å
568	V	43.1	Very low	48.8	Very low	145 Å²	145	104 Å²	104	88%	0.879	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-74	121.7	163.6	177	0	0	0	0	108.2
569	Y	46.7	Very low	47.9	Very low	134 Å²	134	103.6 Å²	103.6	53%	0.525	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-92.2	121.8	175.8	-96.3	-90.3	0	0	0	111.3	Q561	Q561-Y569 HydrophobicContact CG-CD2 4.35Å
570	E	44.2	Very low	46.9	Very low	137 Å²	137	103 Å²	103	64%	0.64	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-81.4	118.2	163.8	-172.4	175	-175.8	0	0	108.5	R361 S572	R361-E570 IonicContact CZ-OE1 2.68Å; R361-E570 IonicContact NE-OE1 2.83Å; R361-E570 PolarHBondContact NE-OE1 2.94Å; R361-E570 IonicContact NH2-OE1 2.86Å; R361-E570 PolarHBondContact NH2-OE1 3.18Å; E570-S572 PolarHBondContact O-N 2.99Å
571	I	49.1	Very low	45.6	Very low	50 Å²	50	105.2 Å²	105.2	26%	0.256	54%	0.544	S	S	.	.			trans	-72.4	101.4	176.7	-62.8	170.8	0	0	0	108.4	L368 Q553 A554	L368-I571 HydrophobicContact CD1-CD1 4.15Å; L368-I571 HydrophobicContact CD2-CD1 4.26Å; Q553-I571 HydrophobicContact CB-CG2 4.34Å; A554-I571 HydrophobicContact CB-CD1 4.28Å
572	S	43.7	Very low	45.2	Very low	42 Å²	42	111.5 Å²	111.5	29%	0.294	57%	0.565	S	S	.	*			trans	-90.2	122.5	179.5	147.2	0	0	0	0	110.2	E570 R574 D575	E570-S572 PolarHBondContact O-N 2.99Å; S572-R574 PolarHBondContact O-N 2.85Å; S572-R574 VanDerWaalsContact O-N 3.14Å; S572-R574 WeakPolarHBondContact OG-CB 3.49Å; S572-R574 PolarHBondContact OG-N 2.81Å; S572-D575 WeakPolarHBondContact CB-OD2 3.4Å; S572-D575 PolarHBondContact O-N 2.92Å; S572-D575 PolarHBondContact OG-OD2 3.16Å
573	F	47.2	Very low	45.1	Very low	27 Å²	27	106.7 Å²	106.7	12%	0.118	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-6.3	172.8	-129.7	-92.8	0	0	0	113	V360 I546 L550	V360-F573 HydrophobicContact CB-CD2 4.37Å; V360-F573 HydrophobicContact CG1-CB 4.17Å; V360-F573 HydrophobicContact CG1-CD2 3.41Å; V360-F573 VanDerWaalsContact CG1-CD2 3.41Å; V360-F573 HydrophobicContact CG1-CE2 4.08Å; V360-F573 HydrophobicContact CG1-CG 4.09Å; V360-F573 HydrophobicContact CG2-CD2 3.96Å; V360-F573 HydrophobicContact CG2-CE2 4.3Å; V360-F573 HydrophobicContact CG2-CG 4.18Å; I546-F573 HydrophobicContact CG2-CZ 4.35Å; L550-F573 HydrophobicContact CD1-CE2 4.31Å; L550-F573 HydrophobicContact CD2-CD2 4.1Å; L550-F573 HydrophobicContact CD2-CE2 3.74Å; L550-F573 HydrophobicContact CG-CE2 4.08Å
574	R	45.7	Very low	44.9	Very low	186 Å²	186	101.1 Å²	101.1	70%	0.702	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-24.8	179.2	-83.5	-172.5	167	-144.8	-5.7	113.2	S572 G576	S572-R574 PolarHBondContact O-N 2.85Å; S572-R574 VanDerWaalsContact O-N 3.14Å; S572-R574 WeakPolarHBondContact OG-CB 3.49Å; S572-R574 PolarHBondContact OG-N 2.81Å; R574-G576 PolarHBondContact O-N 3.41Å
575	D	40.7	Very low	45.3	Very low	123 Å²	123	99.1 Å²	99.1	66%	0.658	50%	0.501	S	S	*	.	S	Bend	trans	-87.1	81.7	-170.5	-62.4	-57.2	0	0	0	111.2	S572 C577	S572-D575 WeakPolarHBondContact CB-OD2 3.4Å; S572-D575 PolarHBondContact O-N 2.92Å; S572-D575 PolarHBondContact OG-OD2 3.16Å; D575-C577 PolarHBondContact O-N 2.91Å
576	G	39.1	Very low	45.9	Very low	60 Å²	60	92.7 Å²	92.7	62%	0.619	48%	0.481	S	S	*	.			trans	59.7	46.9	158.2	0	0	0	0	0	115.3	R574 M578	R574-G576 PolarHBondContact O-N 3.41Å; G576-M578 PolarHBondContact O-N 2.88Å
577	C	38.6	Very low	46.9	Very low	21 Å²	21	89 Å²	89	14%	0.142	47%	0.467	C	S	.	.			trans	-53.5	101.5	166.9	-80.4	0	0	0	0	110.4	Q553 D575 I579	Q553-C577 PolarHBondContact NE2-SG 3.17Å; D575-C577 PolarHBondContact O-N 2.91Å; C577-I579 VanDerWaalsContact C-N 3.25Å; C577-I579 HydrophobicContact CB-CG1 4.17Å; C577-I579 PolarHBondContact O-N 3.49Å
578	M	39.6	Very low	47.6	Very low	171 Å²	171	89.7 Å²	89.7	84%	0.842	47%	0.473	S	S	*	.			trans	-68.1	92.2	160.4	-67	-62.4	168.6	0	0	106.6	Q549 G576	Q549-M578 PolarHBondContact NE2-O 3.26Å; Q549-M578 VanDerWaalsContact NE2-O 3.13Å; G576-M578 PolarHBondContact O-N 2.88Å
579	I	41.9	Very low	48.4	Very low	31 Å²	31	84.9 Å²	84.9	16%	0.159	44%	0.443	C	S	.	.			trans	-78.5	126.2	170.5	-54.2	163.2	0	0	0	105.1	V311 C577 E583	V311-I579 HydrophobicContact CG2-CD1 3.91Å; C577-I579 VanDerWaalsContact C-N 3.25Å; C577-I579 HydrophobicContact CB-CG1 4.17Å; C577-I579 PolarHBondContact O-N 3.49Å; I579-E583 HydrophobicContact CB-CG 4.07Å; I579-E583 WeakPolarHBondContact CD1-OE1 3.24Å; I579-E583 VanDerWaalsContact CG2-CD 3.47Å; I579-E583 HydrophobicContact CG2-CG 3.53Å
580	P	41.9	Very low	49.5	Very low	74 Å²	74	79.1 Å²	79.1	48%	0.481	42%	0.42	S	S	.	.			trans	-58.2	151.4	-174.9	22.2	-33.7	0	0	0	111.8	L545 R582 E583	L545-P580 HydrophobicContact CD2-CG 4.38Å; P580-R582 PolarHBondContact O-N 2.79Å; P580-E583 PolarHBondContact O-N 2.77Å
581	D	39.3	Very low	50.7	Low	173 Å²	173	78.8 Å²	78.8	93%	0.925	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	12.9	-168.3	-62.9	-55.1	0	0	0	117.4	E583	D581-E583 VanDerWaalsContact C-N 3.3Å
582	R	49.8	Very low	51.4	Low	214 Å²	214	79.1 Å²	79.1	81%	0.808	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	7.4	170.9	-63.4	-172.6	176.6	-166.1	-0.4	113.5	P580 W584	P580-R582 PolarHBondContact O-N 2.79Å; R582-W584 PolarHBondContact O-N 3.49Å
583	E	54.5	Low	52.7	Low	21 Å²	21	77.3 Å²	77.3	10%	0.098	41%	0.407	C	S	.	.			trans	-68.2	126.6	165.6	-57.5	-146.3	107.9	0	0	109.3	N314 I579 P580 D581 V585 K590	N314-E583 WeakPolarHBondContact OD1-CA 3.34Å; I579-E583 HydrophobicContact CB-CG 4.07Å; I579-E583 WeakPolarHBondContact CD1-OE1 3.24Å; I579-E583 VanDerWaalsContact CG2-CD 3.47Å; I579-E583 HydrophobicContact CG2-CG 3.53Å; P580-E583 PolarHBondContact O-N 2.77Å; D581-E583 VanDerWaalsContact C-N 3.3Å; E583-V585 PolarHBondContact O-N 2.83Å; E583-V585 VanDerWaalsContact O-N 3.16Å; E583-K590 IonicContact OE1-NZ 3.39Å; E583-K590 PolarHBondContact OE1-NZ 2.99Å; E583-K590 WeakPolarHBondContact OE2-CE 3.28Å; E583-K590 IonicContact OE2-NZ 3.81Å; E583-K590 PolarHBondContact OE2-NZ 3.16Å
584	W	56.5	Low	54	Low	42 Å²	42	79.4 Å²	79.4	16%	0.159	41%	0.414	C	S	.	.	S	Bend	trans	-60.7	-25.8	176.1	156.4	53.7	0	0	0	111.7	F283 N314 G335 R336 R582	F283-W584 HydrophobicContact CB-CH2 3.3Å; F283-W584 HydrophobicContact CB-CZ2 3.38Å; F283-W584 HydrophobicContact CB-CZ3 4.33Å; F283-W584 HydrophobicContact CD1-CZ2 4.46Å; F283-W584 HydrophobicContact CD2-CH2 4.48Å; F283-W584 AromaticContact CG-CH2 3.93Å; F283-W584 HydrophobicContact CG-CH2 3.93Å; F283-W584 HydrophobicContact CG-CZ2 4.16Å; N314-W584 WeakPolarHBondContact ND2-CB 3.35Å; N314-W584 PolarHBondContact OD1-N 3.39Å; N314-W584 VanDerWaalsContact OD1-N 3.16Å; G335-W584 VanDerWaalsContact C-CZ3 3.49Å; G335-W584 VanDerWaalsContact CA-CZ3 3.45Å; R336-W584 HydrophobicContact CB-CB 4.28Å; R336-W584 HydrophobicContact CB-CD2 3.66Å; R336-W584 HydrophobicContact CB-CE3 4.16Å; R336-W584 HydrophobicContact CB-CG 3.61Å; R336-W584 HydrophobicContact CG-CD2 4.27Å; R336-W584 HydrophobicContact CG-CG 3.92Å; R336-W584 VanDerWaalsContact N-CE3 3.35Å; R582-W584 PolarHBondContact O-N 3.49Å
585	V	60.3	Low	55.1	Low	5 Å²	5	72.6 Å²	72.6	3%	0.03	39%	0.394	C	S	.	.	S	Bend	trans	-126.2	111	178.8	-165.7	0	0	0	0	109.4	V316 E583 I589 K590 V593	V316-V585 HydrophobicContact CG2-CB 4.43Å; V316-V585 HydrophobicContact CG2-CG2 4.18Å; E583-V585 PolarHBondContact O-N 2.83Å; E583-V585 VanDerWaalsContact O-N 3.16Å; V585-I589 HydrophobicContact CG1-CB 3.51Å; V585-I589 HydrophobicContact CG1-CG2 3.45Å; V585-I589 VanDerWaalsContact CG1-CG2 3.45Å; V585-K590 HydrophobicContact CB-CG 3.78Å; V585-K590 HydrophobicContact CG1-CB 4.28Å; V585-K590 HydrophobicContact CG1-CG 3.73Å; V585-K590 VanDerWaalsContact O-CE 3.28Å; V585-K590 WeakPolarHBondContact O-CE 3.32Å; V585-K590 WeakPolarHBondContact O-CG 3.12Å; V585-V593 HydrophobicContact CG1-CG2 4.22Å
586	P	61.4	Low	56.4	Low	75 Å²	75	69.1 Å²	69.1	49%	0.487	37%	0.374	S	S	.	.			trans	-54.4	150.6	169.1	-27.6	35.1	0	0	0	112.2	G588 I589 K590	P586-G588 PolarHBondContact O-N 3.44Å; P586-I589 HydrophobicContact CB-CD1 4.46Å; P586-I589 HydrophobicContact CG-CD1 4.14Å; P586-I589 PolarHBondContact O-N 2.85Å; P586-K590 PolarHBondContact O-N 3.21Å
587	N	59.5	Low	58	Low	90 Å²	90	66.2 Å²	66.2	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-53.3	-34.2	-171.7	-81.7	-40.6	0	0	0	115	K590	N587-K590 PolarHBondContact O-N 3.39Å
588	G	56.2	Low	59.6	Low	62 Å²	62	68.5 Å²	68.5	64%	0.639	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-48.3	173.1	0	0	0	0	0	112.8	P586 K590 H591 L592	P586-G588 PolarHBondContact O-N 3.44Å; G588-K590 VanDerWaalsContact C-N 3.28Å; G588-K590 PolarHBondContact O-N 3.42Å; G588-H591 PolarHBondContact O-N 3.14Å; G588-L592 PolarHBondContact O-N 2.96Å
589	I	61.6	Low	60.7	Low	45 Å²	45	68.3 Å²	68.3	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-69.2	-27	178.9	-57.9	161.6	0	0	0	110.6	C280 V585 P586 H591 L592 V593	C280-I589 VanDerWaalsContact SG-CG2 3.56Å; V585-I589 HydrophobicContact CG1-CB 3.51Å; V585-I589 HydrophobicContact CG1-CG2 3.45Å; V585-I589 VanDerWaalsContact CG1-CG2 3.45Å; P586-I589 HydrophobicContact CB-CD1 4.46Å; P586-I589 HydrophobicContact CG-CD1 4.14Å; P586-I589 PolarHBondContact O-N 2.85Å; I589-H591 VanDerWaalsContact C-N 3.28Å; I589-H591 PolarHBondContact O-N 3.23Å; I589-L592 WeakPolarHBondContact O-CB 3.43Å; I589-L592 PolarHBondContact O-N 3.16Å; I589-L592 VanDerWaalsContact O-N 3.13Å; I589-V593 HydrophobicContact CG2-CG2 4.18Å; I589-V593 WeakPolarHBondContact O-CG2 3.26Å; I589-V593 PolarHBondContact O-N 3.33Å
590	K	69.3	Low	61.5	Low	12 Å²	12	69.5 Å²	69.5	5%	0.052	36%	0.36	C	S	.	.	H	α-helix	trans	-60.2	-39.4	174	-74.2	-177.6	175.1	166.3	0	111.8	V316 E583 V585 P586 N587 G588 L592 R594	V316-K590 HydrophobicContact CG2-CG 4.08Å; E583-K590 IonicContact OE1-NZ 3.39Å; E583-K590 PolarHBondContact OE1-NZ 2.99Å; E583-K590 WeakPolarHBondContact OE2-CE 3.28Å; E583-K590 IonicContact OE2-NZ 3.81Å; E583-K590 PolarHBondContact OE2-NZ 3.16Å; V585-K590 HydrophobicContact CB-CG 3.78Å; V585-K590 HydrophobicContact CG1-CB 4.28Å; V585-K590 HydrophobicContact CG1-CG 3.73Å; V585-K590 VanDerWaalsContact O-CE 3.28Å; V585-K590 WeakPolarHBondContact O-CE 3.32Å; V585-K590 WeakPolarHBondContact O-CG 3.12Å; P586-K590 PolarHBondContact O-N 3.21Å; N587-K590 PolarHBondContact O-N 3.39Å; G588-K590 VanDerWaalsContact C-N 3.28Å; G588-K590 PolarHBondContact O-N 3.42Å; K590-L592 VanDerWaalsContact C-N 3.32Å; K590-R594 WeakPolarHBondContact O-CB 3.35Å; K590-R594 VanDerWaalsContact O-CG 3.32Å; K590-R594 WeakPolarHBondContact O-CG 3.18Å; K590-R594 PolarHBondContact O-N 2.71Å
591	H	68.6	Low	62	Low	131 Å²	131	74 Å²	74	61%	0.606	38%	0.375	S	S	*	.	H	α-helix	trans	-66.1	-39.3	176.9	-171.1	66.3	0	0	0	111.3	G588 I589 R594 T595	G588-H591 PolarHBondContact O-N 3.14Å; I589-H591 VanDerWaalsContact C-N 3.28Å; I589-H591 PolarHBondContact O-N 3.23Å; H591-R594 PolarHBondContact O-N 3.28Å; H591-T595 WeakPolarHBondContact O-CB 3.4Å; H591-T595 PolarHBondContact O-N 3.46Å; H591-T595 PolarHBondContact O-OG1 3.33Å
592	L	63.8	Low	62.6	Low	57 Å²	57	68.8 Å²	68.8	30%	0.298	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-46.8	176.2	-178.5	61.2	0	0	0	112.4	F275 G588 I589 K590 T595 I596	F275-L592 HydrophobicContact CE1-CD2 3.76Å; F275-L592 HydrophobicContact CE1-CG 4.28Å; F275-L592 HydrophobicContact CE2-CD2 4.14Å; F275-L592 HydrophobicContact CE2-CG 4Å; F275-L592 HydrophobicContact CZ-CD1 3.96Å; F275-L592 HydrophobicContact CZ-CD2 3.36Å; F275-L592 HydrophobicContact CZ-CG 3.41Å; F275-L592 VanDerWaalsContact CZ-CG 3.41Å; G588-L592 PolarHBondContact O-N 2.96Å; I589-L592 WeakPolarHBondContact O-CB 3.43Å; I589-L592 PolarHBondContact O-N 3.16Å; I589-L592 VanDerWaalsContact O-N 3.13Å; K590-L592 VanDerWaalsContact C-N 3.32Å; L592-T595 WeakPolarHBondContact O-CB 3.42Å; L592-T595 PolarHBondContact O-N 3.05Å; L592-T595 VanDerWaalsContact O-N 3.14Å; L592-I596 PolarHBondContact O-N 3.47Å
593	V	70.5	Confident	62.5	Low	3 Å²	3	61.3 Å²	61.3	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-48.9	172.6	172.9	0	0	0	0	110.7	F283 V316 A334 V585 I589 T595 I596 L597	F283-V593 HydrophobicContact CE2-CG1 4.43Å; V316-V593 HydrophobicContact CB-CG1 4.13Å; V316-V593 HydrophobicContact CG1-CB 4.43Å; V316-V593 HydrophobicContact CG1-CG1 3.93Å; V316-V593 HydrophobicContact CG2-CG1 4.38Å; A334-V593 HydrophobicContact CB-CG1 4.22Å; V585-V593 HydrophobicContact CG1-CG2 4.22Å; I589-V593 HydrophobicContact CG2-CG2 4.18Å; I589-V593 WeakPolarHBondContact O-CG2 3.26Å; I589-V593 PolarHBondContact O-N 3.33Å; V593-T595 PolarHBondContact O-N 2.87Å; V593-I596 PolarHBondContact O-N 3.49Å; V593-L597 HydrophobicContact CG1-CD1 3.99Å; V593-L597 HydrophobicContact CG1-CG 4.2Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.32Å; V593-L597 PolarHBondContact O-N 2.95Å
594	R	75.9	Confident	62	Low	71 Å²	71	68.6 Å²	68.6	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-36.2	175.3	-72.1	-170.9	-162.1	108	-9.3	112	E310 V316 K590 H591 S598	E310-R594 IonicContact OE1-CZ 3.46Å; E310-R594 IonicContact OE1-NE 3.45Å; E310-R594 PolarHBondContact OE1-NE 3.41Å; E310-R594 VanDerWaalsContact OE1-NE 3.12Å; E310-R594 IonicContact OE1-NH2 3.28Å; E310-R594 PolarHBondContact OE1-NH2 3.48Å; E310-R594 IonicContact OE2-CZ 2.79Å; E310-R594 IonicContact OE2-NH2 3.54Å; E310-R594 PolarHBondContact OE2-NH2 3.17Å; V316-R594 HydrophobicContact CG1-CG 3.37Å; K590-R594 WeakPolarHBondContact O-CB 3.35Å; K590-R594 VanDerWaalsContact O-CG 3.32Å; K590-R594 WeakPolarHBondContact O-CG 3.18Å; K590-R594 PolarHBondContact O-N 2.71Å; H591-R594 PolarHBondContact O-N 3.28Å; R594-S598 VanDerWaalsContact O-CB 3.3Å; R594-S598 WeakPolarHBondContact O-CB 3.21Å; R594-S598 PolarHBondContact O-N 3.02Å; R594-S598 PolarHBondContact O-OG 2.8Å
595	T	67.9	Low	61.7	Low	43 Å²	43	70.3 Å²	70.3	26%	0.264	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-47.2	177.6	-62.2	0	0	0	0	111.5	H591 L592 V593 S598 K599	H591-T595 WeakPolarHBondContact O-CB 3.4Å; H591-T595 PolarHBondContact O-N 3.46Å; H591-T595 PolarHBondContact O-OG1 3.33Å; L592-T595 WeakPolarHBondContact O-CB 3.42Å; L592-T595 PolarHBondContact O-N 3.05Å; L592-T595 VanDerWaalsContact O-N 3.14Å; V593-T595 PolarHBondContact O-N 2.87Å; T595-S598 PolarHBondContact O-N 2.68Å; T595-K599 HydrophobicContact CG2-CD 4.03Å; T595-K599 HydrophobicContact CG2-CG 4.38Å; T595-K599 WeakPolarHBondContact O-CB 3.09Å; T595-K599 WeakPolarHBondContact O-CG 3.19Å; T595-K599 PolarHBondContact O-N 3.02Å
596	I	68	Low	61	Low	50 Å²	50	75 Å²	75	26%	0.256	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-48.1	175.9	-80.4	156	0	0	0	111.6	M273 F275 L592 V593 S598 K599 E600	M273-I596 HydrophobicContact CE-CG2 4.09Å; F275-I596 HydrophobicContact CD2-CD1 4.25Å; F275-I596 HydrophobicContact CE1-CD1 4.28Å; F275-I596 HydrophobicContact CE2-CD1 3.2Å; F275-I596 HydrophobicContact CZ-CD1 3.18Å; L592-I596 PolarHBondContact O-N 3.47Å; V593-I596 PolarHBondContact O-N 3.49Å; I596-S598 PolarHBondContact O-N 3.05Å; I596-S598 VanDerWaalsContact O-N 3.13Å; I596-K599 PolarHBondContact O-N 3.16Å; I596-E600 PolarHBondContact O-N 2.8Å; I596-E600 VanDerWaalsContact O-N 3.15Å
597	L	74.2	Confident	60.1	Low	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-32.2	175.7	-67.5	179.5	0	0	0	112	F283 K285 V316 K320 V332 A334 V593	F283-L597 HydrophobicContact CE2-CD2 4.07Å; K285-L597 HydrophobicContact CB-CD2 4.43Å; K285-L597 HydrophobicContact CD-CD2 3.88Å; K285-L597 HydrophobicContact CG-CD2 3.98Å; V316-L597 HydrophobicContact CG1-CD1 4.41Å; K320-L597 WeakPolarHBondContact CE-O 3.42Å; K320-L597 PolarHBondContact NZ-O 3.47Å; V332-L597 HydrophobicContact CG1-CD1 4.5Å; V332-L597 HydrophobicContact CG1-CD2 3.87Å; A334-L597 HydrophobicContact CB-CD1 3.82Å; A334-L597 HydrophobicContact CB-CD2 4.34Å; V593-L597 HydrophobicContact CG1-CD1 3.99Å; V593-L597 HydrophobicContact CG1-CG 4.2Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.32Å; V593-L597 PolarHBondContact O-N 2.95Å
598	S	70.6	Confident	59.1	Low	68 Å²	68	73.2 Å²	73.2	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-83.7	-35.4	-179.4	-53.3	0	0	0	0	113.7	S318 R594 T595 I596	S318-S598 PolarHBondContact OG-OG 3.38Å; R594-S598 VanDerWaalsContact O-CB 3.3Å; R594-S598 WeakPolarHBondContact O-CB 3.21Å; R594-S598 PolarHBondContact O-N 3.02Å; R594-S598 PolarHBondContact O-OG 2.8Å; T595-S598 PolarHBondContact O-N 2.68Å; I596-S598 PolarHBondContact O-N 3.05Å; I596-S598 VanDerWaalsContact O-N 3.13Å
599	K	63.5	Low	58.6	Low	168 Å²	168	74.1 Å²	74.1	73%	0.73	40%	0.396	S	S	*	.	H	α-helix	trans	-73.3	-29.8	179.9	-78.2	-178.8	176.5	-178.2	0	113.7	T595 I596 E601	T595-K599 HydrophobicContact CG2-CD 4.03Å; T595-K599 HydrophobicContact CG2-CG 4.38Å; T595-K599 WeakPolarHBondContact O-CB 3.09Å; T595-K599 WeakPolarHBondContact O-CG 3.19Å; T595-K599 PolarHBondContact O-N 3.02Å; I596-K599 PolarHBondContact O-N 3.16Å; K599-E601 PolarHBondContact O-N 3.15Å
600	E	58.3	Low	57.7	Low	55 Å²	55	72.9 Å²	72.9	26%	0.257	39%	0.392	S	S	.	.	S	Bend	trans	-63.7	126.5	-177.1	-164.1	-169.5	159.3	0	0	111	K285 K320 I596	K285-E600 WeakPolarHBondContact CE-OE2 3.47Å; K285-E600 IonicContact NZ-OE1 3.06Å; K285-E600 PolarHBondContact NZ-OE1 2.94Å; K285-E600 IonicContact NZ-OE2 3.86Å; K285-E600 PolarHBondContact NZ-OE2 2.81Å; K320-E600 PolarHBondContact NZ-O 2.87Å; I596-E600 PolarHBondContact O-N 2.8Å; I596-E600 VanDerWaalsContact O-N 3.15Å
601	E	53	Low	57	Low	169 Å²	169	75.8 Å²	75.8	79%	0.79	41%	0.41	S	S	*	.			trans	-63.7	151.2	179.5	-73.6	-146.1	149.4	0	0	112.2	K599 G603	K599-E601 PolarHBondContact O-N 3.15Å; E601-G603 PolarHBondContact O-N 3.5Å
602	P	51.2	Low	56.1	Low	64 Å²	64	75 Å²	75	42%	0.416	41%	0.406	S	S	.	.			trans	-75.2	75.4	178.6	34.3	-37.4	0	0	0	110.2	W605	P602-W605 HydrophobicContact CB-CZ2 3.58Å; P602-W605 VanDerWaalsContact CB-NE1 3.31Å; P602-W605 PolarHBondContact O-NE1 2.7Å
603	G	48.1	Very low	55.6	Low	56 Å²	56	75.3 Å²	75.3	58%	0.577	41%	0.406	S	S	*	.			trans	-54.3	153.4	-179.6	0	0	0	0	0	114.5	E601 W605	E601-G603 PolarHBondContact O-N 3.5Å; G603-W605 PolarHBondContact O-N 2.78Å; G603-W605 VanDerWaalsContact O-N 3.17Å; G603-W605 PolarHBondContact O-NE1 3.11Å; G603-W605 VanDerWaalsContact O-NE1 3.13Å
604	E	43.6	Very low	54.6	Low	175 Å²	175	79.6 Å²	79.6	82%	0.818	44%	0.436	S	S	*	.			trans	-43.7	112.7	-163	-65	-172.3	157.9	0	0	115	N606	E604-N606 PolarHBondContact O-N 3.21Å
605	W	50.3	Low	53.3	Low	78 Å²	78	76.7 Å²	76.7	30%	0.295	43%	0.425	S	S	.	.			trans	-86.5	81.7	-168.8	-60	70.5	0	0	0	111.7	F267 T287 Y330 P602 G603 C607	F267-W605 AromaticContact CD1-CE3 3.91Å; F267-W605 HydrophobicContact CD1-CE3 3.91Å; F267-W605 AromaticContact CD2-CE3 3.77Å; F267-W605 HydrophobicContact CD2-CE3 3.77Å; F267-W605 AromaticContact CD2-CZ3 3.64Å; F267-W605 HydrophobicContact CD2-CZ3 3.64Å; F267-W605 AromaticContact CE1-CE3 3.87Å; F267-W605 HydrophobicContact CE1-CE3 3.87Å; F267-W605 AromaticContact CE2-CE3 3.74Å; F267-W605 HydrophobicContact CE2-CE3 3.74Å; F267-W605 AromaticContact CE2-CZ3 3.7Å; F267-W605 HydrophobicContact CE2-CZ3 3.7Å; F267-W605 AromaticContact CG-CE3 3.86Å; F267-W605 HydrophobicContact CG-CE3 3.86Å; F267-W605 HydrophobicContact CG-CZ3 4.12Å; F267-W605 AromaticContact CZ-CE3 3.8Å; F267-W605 HydrophobicContact CZ-CE3 3.8Å; F267-W605 HydrophobicContact CZ-CZ3 4.22Å; T287-W605 HydrophobicContact CG2-CH2 3.42Å; T287-W605 VanDerWaalsContact CG2-CH2 3.42Å; T287-W605 HydrophobicContact CG2-CZ3 3.54Å; Y330-W605 HydrophobicContact CD1-CE3 4.11Å; Y330-W605 AromaticContact CD1-CH2 3.37Å; Y330-W605 HydrophobicContact CD1-CH2 3.37Å; Y330-W605 HydrophobicContact CD1-CZ2 4.33Å; Y330-W605 AromaticContact CD1-CZ3 3.27Å; Y330-W605 HydrophobicContact CD1-CZ3 3.27Å; Y330-W605 HydrophobicContact CE1-CD2 4.38Å; Y330-W605 AromaticContact CE1-CE3 3.69Å; Y330-W605 HydrophobicContact CE1-CE3 3.69Å; Y330-W605 AromaticContact CE1-CH2 3.76Å; Y330-W605 HydrophobicContact CE1-CH2 3.76Å; Y330-W605 HydrophobicContact CE1-CZ2 4.48Å; Y330-W605 AromaticContact CE1-CZ3 3.34Å; Y330-W605 HydrophobicContact CE1-CZ3 3.34Å; Y330-W605 AromaticContact CG-CH2 3.96Å; Y330-W605 HydrophobicContact CG-CH2 3.96Å; Y330-W605 HydrophobicContact CG-CZ3 4.29Å; P602-W605 HydrophobicContact CB-CZ2 3.58Å; P602-W605 VanDerWaalsContact CB-NE1 3.31Å; P602-W605 PolarHBondContact O-NE1 2.7Å; G603-W605 PolarHBondContact O-N 2.78Å; G603-W605 VanDerWaalsContact O-N 3.17Å; G603-W605 PolarHBondContact O-NE1 3.11Å; G603-W605 VanDerWaalsContact O-NE1 3.13Å; W605-C607 PolarHBondContact O-N 3.21Å
606	N	46.3	Very low	52.1	Low	102 Å²	102	78 Å²	78	55%	0.545	43%	0.434	S	S	.	.			trans	-71.3	103.7	176.2	-165.8	-16.3	0	0	0	111.5	E604 A608 N609	E604-N606 PolarHBondContact O-N 3.21Å; N606-A608 PolarHBondContact O-N 2.92Å; N606-A608 WeakPolarHBondContact OD1-CB 3.47Å; N606-A608 PolarHBondContact OD1-N 3.39Å; N606-N609 PolarHBondContact O-N 3.43Å
607	C	43.1	Very low	50.5	Low	47 Å²	47	79.6 Å²	79.6	32%	0.318	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-68.1	-13.5	179.7	-67.6	0	0	0	0	113.9	F256 W605 N609 C610	F256-C607 HydrophobicContact CE2-CB 4.49Å; W605-C607 PolarHBondContact O-N 3.21Å; C607-N609 PolarHBondContact O-N 3.02Å; C607-C610 PolarHBondContact O-N 3.3Å; C607-C610 PolarHBondContact O-SG 2.91Å
608	A	36.6	Very low	48.4	Very low	82 Å²	82	82.6 Å²	82.6	68%	0.678	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-60	-26.5	172.2	0	0	0	0	0	112.3	N606	N606-A608 PolarHBondContact O-N 2.92Å; N606-A608 WeakPolarHBondContact OD1-CB 3.47Å; N606-A608 PolarHBondContact OD1-N 3.39Å
609	N	47.4	Very low	46.4	Very low	80 Å²	80	89 Å²	89	43%	0.428	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-103.3	26.4	-179.8	-57.8	-7.9	0	0	0	112.6	T268 N606 C607	T268-N609 PolarHBondContact N-O 2.61Å; T268-N609 WeakPolarHBondContact O-CB 3.36Å; T268-N609 PolarHBondContact O-ND2 2.69Å; T268-N609 PolarHBondContact OG1-O 3.02Å; N606-N609 PolarHBondContact O-N 3.43Å; C607-N609 PolarHBondContact O-N 3.02Å
610	C	41.1	Very low	44.8	Very low	20 Å²	20	86.5 Å²	86.5	14%	0.135	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.2	175.3	77.6	0	0	0	0	112.5	H265 V266 F267 C607	H265-C610 HydrophobicContact CB-CB 4.28Å; H265-C610 PolarHBondContact ND1-SG 3.08Å; H265-C610 VanDerWaalsContact ND1-SG 3.37Å; V266-C610 CarbonylContact O-C 3.59Å; V266-C610 VanDerWaalsContact O-CA 3.3Å; V266-C610 WeakPolarHBondContact O-CA 3.16Å; F267-C610 HydrophobicContact CD1-CB 4.15Å; F267-C610 HydrophobicContact CE1-CB 4.35Å; C607-C610 PolarHBondContact O-N 3.3Å; C607-C610 PolarHBondContact O-SG 2.91Å
611	V	54.3	Low	43.3	Very low	72 Å²	72	92.5 Å²	92.5	44%	0.436	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.7	167.3	-176.4	0	0	0	0	107.8	H265 V266 F613	H265-V611 WeakPolarHBondContact CA-O 3.19Å; V266-V611 HydrophobicContact CB-CB 4.49Å; V266-V611 PolarHBondContact N-O 3.29Å; V266-V611 PolarHBondContact O-N 2.9Å; V611-F613 HydrophobicContact CB-CE2 4.13Å; V611-F613 HydrophobicContact CG1-CD2 4.2Å; V611-F613 HydrophobicContact CG1-CE2 3.56Å; V611-F613 HydrophobicContact CG1-CZ 3.88Å
612	Q	51.3	Low	42.2	Very low	114 Å²	114	91.1 Å²	91.1	53%	0.533	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.3	179.8	-52.2	-165.8	0.2	0	0	110.7
613	F	52.9	Low	41.3	Very low	64 Å²	64	93.7 Å²	93.7	28%	0.281	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.6	174.5	-68	-94.9	0	0	0	109.3	T263 F264 V266 I345 V611	T263-F613 CarbonylContact C-O 3.46Å; T263-F613 WeakPolarHBondContact CA-O 3.41Å; F264-F613 HydrophobicContact CD1-CB 3.56Å; F264-F613 HydrophobicContact CD1-CG 4.36Å; F264-F613 HydrophobicContact CD2-CD2 4.41Å; F264-F613 HydrophobicContact CE1-CB 3.17Å; F264-F613 HydrophobicContact CE1-CD1 4.35Å; F264-F613 HydrophobicContact CE1-CD2 4.01Å; F264-F613 AromaticContact CE1-CG 3.62Å; F264-F613 HydrophobicContact CE1-CG 3.62Å; F264-F613 HydrophobicContact CE2-CB 4.39Å; F264-F613 AromaticContact CE2-CD2 3.74Å; F264-F613 HydrophobicContact CE2-CD2 3.74Å; F264-F613 HydrophobicContact CE2-CE2 4.31Å; F264-F613 HydrophobicContact CE2-CG 4.22Å; F264-F613 HydrophobicContact CG-CB 4.31Å; F264-F613 HydrophobicContact CZ-CB 3.64Å; F264-F613 HydrophobicContact CZ-CD1 4.19Å; F264-F613 AromaticContact CZ-CD2 3.5Å; F264-F613 HydrophobicContact CZ-CD2 3.5Å; F264-F613 VanDerWaalsContact CZ-CD2 3.5Å; F264-F613 HydrophobicContact CZ-CE2 4.17Å; F264-F613 AromaticContact CZ-CG 3.52Å; F264-F613 HydrophobicContact CZ-CG 3.52Å; F264-F613 PolarHBondContact N-O 2.9Å; F264-F613 PolarHBondContact O-N 3.34Å; V266-F613 HydrophobicContact CB-CE2 4.37Å; V266-F613 HydrophobicContact CG2-CD2 4.01Å; V266-F613 HydrophobicContact CG2-CE2 3.59Å; I345-F613 HydrophobicContact CG2-CE2 4.49Å; I345-F613 HydrophobicContact CG2-CZ 4.42Å; V611-F613 HydrophobicContact CB-CE2 4.13Å; V611-F613 HydrophobicContact CG1-CD2 4.2Å; V611-F613 HydrophobicContact CG1-CE2 3.56Å; V611-F613 HydrophobicContact CG1-CZ 3.88Å
614	S	49	Very low	40.4	Very low	93 Å²	93	101.6 Å²	101.6	65%	0.65	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	126.5	179.8	56.6	0	0	0	0	112
615	M	48.1	Very low	39.8	Very low	10 Å²	10	96.3 Å²	96.3	5%	0.049	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-87.1	134.6	170.8	-57.9	-176	-170.8	0	0	110.8	E262 F264 Y294 L352 C617	E262-M615 WeakPolarHBondContact O-CB 3.45Å; E262-M615 WeakPolarHBondContact O-CG 3.27Å; E262-M615 PolarHBondContact O-N 2.84Å; F264-M615 HydrophobicContact CB-CE 3.85Å; F264-M615 HydrophobicContact CD1-CE 3.58Å; F264-M615 HydrophobicContact CG-CE 4.11Å; Y294-M615 HydrophobicContact CD2-CE 4.3Å; Y294-M615 HydrophobicContact CD2-SD 3.96Å; Y294-M615 HydrophobicContact CE2-CE 4.23Å; Y294-M615 HydrophobicContact CE2-SD 3.37Å; Y294-M615 WeakPolarHBondContact CE2-SD 3.37Å; L352-M615 HydrophobicContact CB-CE 3.58Å; L352-M615 HydrophobicContact CB-SD 3.83Å; L352-M615 HydrophobicContact CD1-CE 3.58Å; L352-M615 HydrophobicContact CG-CE 4.16Å; M615-C617 PolarHBondContact O-N 3.35Å
616	P	43.1	Very low	38.9	Very low	70 Å²	70	98.1 Å²	98.1	46%	0.455	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-68.7	127.7	174	27.9	-32.6	0	0	0	110.3	K353 A618	K353-P616 HydrophobicContact CG-CG 3.75Å; P616-A618 PolarHBondContact O-N 2.76Å
617	C	35.1	Very low	38.2	Very low	85 Å²	85	103 Å²	103	57%	0.574	59%	0.585	S	S	*	*			trans	-61.9	102.7	-176.8	-56.7	0	0	0	0	111.6	E262 M615 K619	E262-C617 VanDerWaalsContact CD-SG 3.59Å; E262-C617 PolarHBondContact OE1-SG 3.11Å; E262-C617 VanDerWaalsContact OE1-SG 3.39Å; E262-C617 PolarHBondContact OE2-SG 2.94Å; M615-C617 PolarHBondContact O-N 3.35Å; C617-K619 PolarHBondContact O-N 3.43Å
618	A	30	Very low	37.7	Very low	63 Å²	63	111.8 Å²	111.8	52%	0.521	61%	0.611	S	S	.	*			trans	-66.6	118	151.1	0	0	0	0	0	107.2	P616 V620	P616-A618 PolarHBondContact O-N 2.76Å; A618-V620 HydrophobicContact CB-CG2 4.31Å; A618-V620 PolarHBondContact O-N 2.82Å
619	K	27.7	Very low	37.4	Very low	203 Å²	203	114.8 Å²	114.8	88%	0.883	61%	0.614	S	S	*	*			trans	-67.5	73	171.8	-73.2	-175.3	179.1	178.7	0	110.1	C617 Q621	C617-K619 PolarHBondContact O-N 3.43Å; K619-Q621 PolarHBondContact O-N 3.28Å; K619-Q621 VanDerWaalsContact O-N 3.15Å
620	V	29.8	Very low	36.7	Very low	114 Å²	114	119.4 Å²	119.4	69%	0.691	64%	0.638	S	S	*	*			trans	-74.3	100.7	166.5	-178.6	0	0	0	0	106.4	A618 I622	A618-V620 HydrophobicContact CB-CG2 4.31Å; A618-V620 PolarHBondContact O-N 2.82Å; V620-I622 PolarHBondContact O-N 3.41Å
621	Q	27.2	Very low	36.4	Very low	182 Å²	182	126.1 Å²	126.1	85%	0.85	67%	0.667	S	S	*	*			trans	-65.7	104	168.2	-65.5	-174.4	10.2	0	0	107.7	K619 P623	K619-Q621 PolarHBondContact O-N 3.28Å; K619-Q621 VanDerWaalsContact O-N 3.15Å; Q621-P623 WeakPolarHBondContact O-CD 3.38Å
622	I	30.7	Very low	35.5	Very low	140 Å²	140	130.9 Å²	130.9	72%	0.718	68%	0.682	S	S	*	*			trans	-76.2	121.5	165.3	-59	175.6	0	0	0	106.2	V620 K624	V620-I622 PolarHBondContact O-N 3.41Å; I622-K624 PolarHBondContact O-N 3.16Å
623	P	30.9	Very low	34.7	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	70%	0.698	S	S	*	*			trans	-58.4	121.8	176.3	-23.4	34.1	0	0	0	110.4	Q621 G625	Q621-P623 WeakPolarHBondContact O-CD 3.38Å; P623-G625 PolarHBondContact O-N 3.06Å; P623-G625 VanDerWaalsContact O-N 3.15Å
624	K	29.8	Very low	33.6	Very low	222 Å²	222	138.4 Å²	138.4	97%	0.965	72%	0.723	S	S	*	*			trans	-82.5	83.6	170.7	-76.2	-178.6	176.7	175	0	109.4	I622	I622-K624 PolarHBondContact O-N 3.16Å
625	G	31.5	Very low	33.1	Very low	63 Å²	63	142.6 Å²	142.6	65%	0.649	73%	0.733	S	S	*	*			trans	-138.9	135.2	168.4	0	0	0	0	0	110	P623	P623-G625 PolarHBondContact O-N 3.06Å; P623-G625 VanDerWaalsContact O-N 3.15Å
626	S	31.3	Very low	32.3	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	76%	0.763	S	S	*	*			cis	-142.6	132.4	-6.7	-84.3	0	0	0	0	109.9	R628	S626-R628 PolarHBondContact O-N 2.87Å
627	K	30.7	Very low	32	Very low	204 Å²	204	152.4 Å²	152.4	89%	0.887	78%	0.776	S	S	*	*			trans	-81.9	99.5	164.7	-78.3	-174.3	174.3	-174.1	0	109.2
628	R	33.8	Very low	31.8	Very low	233 Å²	233	156.2 Å²	156.2	88%	0.879	79%	0.786	S	S	*	*			trans	-128.7	102.3	151.5	-69.8	-172.4	-179.4	-176.3	1.5	105.2	S626	S626-R628 PolarHBondContact O-N 2.87Å
629	I	29.6	Very low	32	Very low	144 Å²	144	158.5 Å²	158.5	74%	0.738	79%	0.789	S	S	*	*				56.1	94.6	79.9	-55.6	171.9	0	0	0	110.3
630	L	33.6	Very low	32.5	Very low	177 Å²	177	158.5 Å²	158.5	93%	0.927	78%	0.784	S	S	*	*			trans	-147.6	119.2	141.5	-110.5	158.6	0	0	0	106.9
631	H	34.1	Very low	32.7	Very low	161 Å²	161	159.6 Å²	159.6	75%	0.745	79%	0.786	S	S	*	*			trans	-109.4	147.5	-172.5	-114.5	-69.5	0	0	0	109.3
632	K	35.8	Very low	33	Very low	172 Å²	172	156.8 Å²	156.8	75%	0.748	78%	0.781	S	S	*	*			trans	68.2	131.3	162.3	-61.4	176.5	172.7	-174	0	114.7
633	N	35	Very low	33.1	Very low	161 Å²	161	156.9 Å²	156.9	86%	0.861	79%	0.788	S	S	*	*				-132.3	145.4	55.1	-77.6	-25.8	0	0	0	115.3
634	E	29.8	Very low	33.2	Very low	176 Å²	176	154.6 Å²	154.6	82%	0.822	79%	0.786	S	S	*	*			trans	-95	172	160.5	-65.2	171.4	119	0	0	109.9
635	Q	36.6	Very low	33.4	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	78%	0.781	S	S	*	*			trans	106.4	134.9	176	-67.3	-175.6	-14.2	0	0	114.2
636	N	31.8	Very low	33.6	Very low	129 Å²	129	151.8 Å²	151.8	69%	0.69	78%	0.784	S	S	*	*			cis	-167.1	167.4	-21	-131.5	-13.5	0	0	0	108.8
637	Q	37	Very low	33.8	Very low	156 Å²	156	150.3 Å²	150.3	73%	0.729	78%	0.779	S	S	*	*			trans	65.5	118	162.1	-66.8	163.6	4.3	0	0	116.4
638	Q	32.2	Very low	34.1	Very low	166 Å²	166	147.1 Å²	147.1	78%	0.776	77%	0.772	S	S	*	*				90.9	137	61.2	-87.2	-173.7	-75.8	0	0	114.8
639	D	33.6	Very low	34.2	Very low	110 Å²	110	142.8 Å²	142.8	59%	0.588	77%	0.765	S	S	*	*			trans	87	111.3	146	-83.4	34.3	0	0	0	122.3
640	R	37	Very low	34.5	Very low	203 Å²	203	139.8 Å²	139.8	77%	0.766	76%	0.757	S	S	*	*				120.2	109	128.3	-73	159.4	-171.4	-150.1	-1	119.8
641	N	35	Very low	34.7	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	75%	0.751	S	S	*	*				65.8	118.6	125.4	-52.8	-5.8	0	0	0	119.5
642	T	33.7	Very low	34.9	Very low	122 Å²	122	140.7 Å²	140.7	75%	0.748	76%	0.756	S	S	*	*				97	134.9	54.2	-54.8	0	0	0	0	113.7
643	T	32.2	Very low	34.9	Very low	143 Å²	143	141 Å²	141	88%	0.877	76%	0.758	S	S	*	*			trans	89.1	136.7	156.6	16.6	0	0	0	0	123.6
644	G	33.8	Very low	34.7	Very low	69 Å²	69	142.2 Å²	142.2	71%	0.711	76%	0.755	S	S	*	*			trans	102.6	109.9	169.3	0	0	0	0	0	113.8
645	S	32.8	Very low	35	Very low	124 Å²	124	139.6 Å²	139.6	87%	0.867	75%	0.747	S	S	*	*			cis	63.6	130.1	34.9	-138.1	0	0	0	0	112.9
646	S	36	Very low	34.8	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	75%	0.748	S	S	*	*			cis	-163	162.7	10.7	59.9	0	0	0	0	113
647	A	35.2	Very low	34.6	Very low	85 Å²	85	136.4 Å²	136.4	70%	0.702	75%	0.746	S	S	*	*			trans	66.3	148.3	152.8	0	0	0	0	0	118
648	N	36.8	Very low	34.2	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	75%	0.754	S	S	*	*			cis	-175.3	162.3	44.4	-129	-20.6	0	0	0	112.5
649	I	37.7	Very low	34.1	Very low	143 Å²	143	135.5 Å²	135.5	73%	0.733	75%	0.754	S	S	*	*			trans	67.8	138.5	147	-65.4	163.6	0	0	0	118.7
650	S	35.7	Very low	33.9	Very low	81 Å²	81	135.5 Å²	135.5	57%	0.566	76%	0.761	S	S	*	*			cis	-168.6	151.6	-16.3	-95.9	0	0	0	0	112.8
651	Q	36.8	Very low	33.4	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	76%	0.762	S	S	*	*			trans	46.1	121.6	140	-61.6	162.2	-48.1	0	0	122.8
652	Q	37.8	Very low	33.4	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	77%	0.769	S	S	*	*				-174.8	117.2	109.4	-95.3	177.6	33	0	0	109
653	K	35.7	Very low	33.2	Very low	178 Å²	178	136 Å²	136	77%	0.774	77%	0.768	S	S	*	*				93.1	93.5	83.2	-158.9	-176.1	-171.5	-170.5	0	110.7
654	K	32.5	Very low	33.3	Very low	186 Å²	186	138.9 Å²	138.9	81%	0.809	77%	0.772	S	S	*	*				72.1	146.9	77.4	-122.9	-170.7	-172.7	-169.9	0	115
655	D	35.3	Very low	33	Very low	122 Å²	122	144.5 Å²	144.5	65%	0.652	78%	0.779	S	S	*	*			trans	81.9	143.8	169.9	-43.5	-33.2	0	0	0	115.3
656	L	32	Very low	33	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	78%	0.776	S	S	*	*			cis	-150.4	164.5	3.3	-155.9	76	0	0	0	111.1
657	A	27.5	Very low	32.7	Very low	78 Å²	78	146.1 Å²	146.1	65%	0.645	78%	0.784	S	S	*	*			trans	-105.3	168.9	171.3	0	0	0	0	0	112.4
658	Q	29.1	Very low	32.3	Very low	192 Å²	192	150.1 Å²	150.1	90%	0.897	79%	0.793	S	S	*	*			trans	65.1	117.4	164.5	-68.7	177.2	-38.8	0	0	119.8
659	S	30.3	Very low	32	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	79%	0.794	S	S	*	*			trans	-168	98.3	145.1	-176.4	0	0	0	0	106.6
660	C	29	Very low	31.7	Very low	109 Å²	109	151.9 Å²	151.9	74%	0.736	80%	0.8	S	S	*	*				67.4	112.8	85.4	-72.6	0	0	0	0	114.3
661	D	27.6	Very low	31.6	Very low	147 Å²	147	159.2 Å²	159.2	79%	0.786	82%	0.816	S	S	*	*			trans	4.7	135.9	153.7	-53.5	-46.5	0	0	0	119.2
662	H	34.5	Very low	31.2	Very low	190 Å²	190	159.2 Å²	159.2	88%	0.88	82%	0.816	S	S	*	*				-150.5	135.2	127.3	-111.7	45.5	0	0	0	113.3
663	N	28.4	Very low	30.9	Very low	138 Å²	138	157.8 Å²	157.8	74%	0.738	81%	0.814	S	S	*	*			trans	-46.7	147.5	179.6	-66.5	-61.4	0	0	0	115.8
664	Q	34.9	Very low	30.7	Very low	203 Å²	203	155.9 Å²	155.9	95%	0.949	81%	0.812	S	S	*	*			trans	-147.3	118.4	132	-118.9	165	79.6	0	0	111.2
665	Q	27.5	Very low	30.7	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	82%	0.819	S	S	*	*			trans	-75.8	136.7	174.5	-69.1	166.7	-42.3	0	0	110
666	A	32.8	Very low	30.9	Very low	98 Å²	98	152.5 Å²	152.5	81%	0.81	82%	0.82	S	S	*	*			trans	-142.2	117.9	163	0	0	0	0	0	109.9
667	N	29.4	Very low	31.2	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57	136	-167.9	-62.8	-53.4	0	0	0	115.5
668	L	27.3	Very low	31.8	Very low	169 Å²	169	149.3 Å²	149.3	89%	0.885	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.6	126.8	162.9	-86.5	159.7	0	0	0	110.9
669	P	31.3	Very low	32.3	Very low	117 Å²	117	144.1 Å²	144.1	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-84.3	133.7	158	32	-28.4	0	0	0	110.5
670	K	29.9	Very low	32.6	Very low	199 Å²	199	145 Å²	145	87%	0.865	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-73.4	131.8	171.8	-62.3	174.1	177.5	178.4	0	111
671	R	33.8	Very low	33.1	Very low	236 Å²	236	145.4 Å²	145.4	89%	0.891	77%	0.769	S	S	*	*			trans	-152	114.8	145.8	-69.9	-164.6	170.9	158	-3.1	106
672	E	29	Very low	33.6	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	76%	0.756	S	S	*	*				65.1	106.3	68.2	-67.9	-178.1	171.6	0	0	112.8
673	D	31.6	Very low	34	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	73%	0.733	S	S	*	*			trans	30.3	112.9	150.8	-55	-23.5	0	0	0	120.3
674	D	31	Very low	34.8	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	72%	0.722	S	S	*	*			trans	-165.9	77.8	138.8	-114.8	-27.3	0	0	0	112.7	S676	D674-S676 PolarHBondContact O-N 3.07Å
675	C	32.5	Very low	35.3	Very low	142 Å²	142	130.4 Å²	130.4	96%	0.959	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	48.4	-178.6	-135.6	0	0	0	0	113.4
676	S	40.1	Very low	36.3	Very low	95 Å²	95	126.8 Å²	126.8	66%	0.664	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	-17.6	-177.4	-51.9	0	0	0	0	114.1	D674	D674-S676 PolarHBondContact O-N 3.07Å
677	S	38.7	Very low	37.2	Very low	57 Å²	57	124.8 Å²	124.8	40%	0.399	67%	0.673	S	S	.	*	H	α-helix	trans	-78.7	-33.8	-165.7	52.7	0	0	0	0	115.3	A679 Q680 E681	S677-A679 VanDerWaalsContact C-N 3.34Å; S677-A679 PolarHBondContact O-N 3.31Å; S677-Q680 CarbonylContact O-C 3.58Å; S677-Q680 WeakPolarHBondContact O-CA 3.39Å; S677-Q680 PolarHBondContact O-N 3.33Å; S677-E681 PolarHBondContact O-N 3.25Å
678	L	38.9	Very low	38.4	Very low	119 Å²	119	118.9 Å²	118.9	62%	0.623	65%	0.647	S	S	*	*	H	α-helix	trans	-61.8	-29.2	-166	-94.4	155.5	0	0	0	116.2	N682	L678-N682 PolarHBondContact O-N 3.11Å; L678-N682 PolarHBondContact O-ND2 3.11Å
679	A	39.1	Very low	39.4	Very low	82 Å²	82	112.5 Å²	112.5	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-75.1	-39.7	174.2	0	0	0	0	0	111.4	S677 N682 A683	S677-A679 VanDerWaalsContact C-N 3.34Å; S677-A679 PolarHBondContact O-N 3.31Å; A679-N682 PolarHBondContact O-N 2.91Å; A679-A683 PolarHBondContact O-N 3.26Å
680	Q	37.9	Very low	40.5	Very low	131 Å²	131	109.8 Å²	109.8	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-74.3	-33.3	178.7	-164.4	166.5	-5.5	0	0	111.6	S677 A683 N684	S677-Q680 CarbonylContact O-C 3.58Å; S677-Q680 WeakPolarHBondContact O-CA 3.39Å; S677-Q680 PolarHBondContact O-N 3.33Å; Q680-A683 PolarHBondContact O-N 3.13Å; Q680-N684 WeakPolarHBondContact O-CB 3.3Å; Q680-N684 PolarHBondContact O-N 2.83Å; Q680-N684 PolarHBondContact O-ND2 3.06Å
681	E	38.4	Very low	41.8	Very low	117 Å²	117	104.6 Å²	104.6	55%	0.547	58%	0.581	S	S	.	*	H	α-helix	trans	-61.2	-42.9	169.9	-95	-170.5	133	0	0	112.4	S677 N684 F685	S677-E681 PolarHBondContact O-N 3.25Å; E681-N684 PolarHBondContact O-N 3.33Å; E681-F685 WeakPolarHBondContact O-CB 3.41Å; E681-F685 PolarHBondContact O-N 3.3Å
682	N	39.8	Very low	42.9	Very low	94 Å²	94	101.2 Å²	101.2	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-68.6	-38	177.6	-83.5	-73.4	0	0	0	112.6	L678 A679 N686	L678-N682 PolarHBondContact O-N 3.11Å; L678-N682 PolarHBondContact O-ND2 3.11Å; A679-N682 PolarHBondContact O-N 2.91Å; N682-N686 PolarHBondContact O-N 2.94Å; N682-N686 VanDerWaalsContact O-N 3.11Å; N682-N686 PolarHBondContact O-ND2 3.48Å
683	A	42.5	Very low	43.9	Very low	49 Å²	49	95.1 Å²	95.1	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-47.2	172	0	0	0	0	0	111.3	A679 Q680 F685 N686 A687	A679-A683 PolarHBondContact O-N 3.26Å; Q680-A683 PolarHBondContact O-N 3.13Å; A683-F685 VanDerWaalsContact C-N 3.34Å; A683-F685 PolarHBondContact O-N 3.23Å; A683-N686 PolarHBondContact O-N 3.33Å; A683-A687 WeakPolarHBondContact O-CB 3.47Å; A683-A687 PolarHBondContact O-N 2.92Å
684	N	45.5	Very low	45.3	Very low	95 Å²	95	92.6 Å²	92.6	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-62.9	-36.4	176.4	-72.4	-16.2	0	0	0	112.3	Q680 E681 A688	Q680-N684 WeakPolarHBondContact O-CB 3.3Å; Q680-N684 PolarHBondContact O-N 2.83Å; Q680-N684 PolarHBondContact O-ND2 3.06Å; E681-N684 PolarHBondContact O-N 3.33Å; N684-A688 WeakPolarHBondContact O-CB 3.48Å; N684-A688 PolarHBondContact O-N 3.06Å
685	F	44.5	Very low	46.7	Very low	126 Å²	126	90.1 Å²	90.1	55%	0.553	51%	0.507	S	S	*	.	H	α-helix	trans	-67.3	-44	177.3	-175.3	-91	0	0	0	111.5	E681 A683 T689	E681-F685 WeakPolarHBondContact O-CB 3.41Å; E681-F685 PolarHBondContact O-N 3.3Å; A683-F685 VanDerWaalsContact C-N 3.34Å; A683-F685 PolarHBondContact O-N 3.23Å; F685-T689 VanDerWaalsContact O-CB 3.27Å; F685-T689 WeakPolarHBondContact O-CB 3.3Å; F685-T689 PolarHBondContact O-N 3.43Å; F685-T689 PolarHBondContact O-OG1 3.24Å
686	N	48	Very low	47.5	Very low	109 Å²	109	85.3 Å²	85.3	58%	0.583	48%	0.477	S	S	*	.	H	α-helix	trans	-66.4	-43.1	175.2	-72.4	-26	0	0	0	111.7	N682 A683 T689 A690	N682-N686 PolarHBondContact O-N 2.94Å; N682-N686 VanDerWaalsContact O-N 3.11Å; N682-N686 PolarHBondContact O-ND2 3.48Å; A683-N686 PolarHBondContact O-N 3.33Å; N686-T689 PolarHBondContact O-N 2.97Å; N686-A690 WeakPolarHBondContact O-CB 3.16Å; N686-A690 PolarHBondContact O-N 2.94Å
687	A	52.5	Low	48	Very low	57 Å²	57	84.3 Å²	84.3	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-63.9	-45.5	175.7	0	0	0	0	0	112.2	A683 T689 A690 E691	A683-A687 WeakPolarHBondContact O-CB 3.47Å; A683-A687 PolarHBondContact O-N 2.92Å; A687-T689 VanDerWaalsContact C-N 3.31Å; A687-T689 PolarHBondContact O-N 3.3Å; A687-A690 PolarHBondContact O-N 3.38Å; A687-E691 PolarHBondContact O-N 3.31Å
688	A	53.7	Low	48.7	Very low	38 Å²	38	86.5 Å²	86.5	31%	0.314	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-34.6	175.9	0	0	0	0	0	112.2	N684 R692	N684-A688 WeakPolarHBondContact O-CB 3.48Å; N684-A688 PolarHBondContact O-N 3.06Å; A688-R692 VanDerWaalsContact O-CB 3.3Å; A688-R692 WeakPolarHBondContact O-CB 3.49Å; A688-R692 WeakPolarHBondContact O-CD 3.27Å; A688-R692 WeakPolarHBondContact O-CG 3.32Å; A688-R692 PolarHBondContact O-N 3.36Å
689	T	49.6	Very low	49.1	Very low	36 Å²	36	85.1 Å²	85.1	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-68.1	-42.1	174.2	-59.5	0	0	0	0	110.8	F685 N686 A687 R692 L693	F685-T689 VanDerWaalsContact O-CB 3.27Å; F685-T689 WeakPolarHBondContact O-CB 3.3Å; F685-T689 PolarHBondContact O-N 3.43Å; F685-T689 PolarHBondContact O-OG1 3.24Å; N686-T689 PolarHBondContact O-N 2.97Å; A687-T689 VanDerWaalsContact C-N 3.31Å; A687-T689 PolarHBondContact O-N 3.3Å; T689-R692 PolarHBondContact O-N 3.26Å; T689-L693 VanDerWaalsContact O-CB 3.32Å; T689-L693 WeakPolarHBondContact O-CB 3.48Å; T689-L693 PolarHBondContact O-N 3.06Å
690	A	53.8	Low	49.6	Very low	60 Å²	60	84.6 Å²	84.6	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174.3	0	0	0	0	0	112.5	N686 A687 L693 R694	N686-A690 WeakPolarHBondContact O-CB 3.16Å; N686-A690 PolarHBondContact O-N 2.94Å; A687-A690 PolarHBondContact O-N 3.38Å; A690-L693 WeakPolarHBondContact O-CB 3.09Å; A690-L693 PolarHBondContact O-N 3.11Å; A690-R694 PolarHBondContact O-N 3.43Å
691	E	56.8	Low	49.7	Very low	90 Å²	90	85 Å²	85	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-66.4	-41.1	176.1	-91.5	-60.7	124.8	0	0	113.1	A687 L693 R694 L695	A687-E691 PolarHBondContact O-N 3.31Å; E691-L693 VanDerWaalsContact C-N 3.26Å; E691-L693 PolarHBondContact O-N 2.88Å; E691-R694 VanDerWaalsContact CD-NE 3.26Å; E691-R694 WeakPolarHBondContact O-CB 3.15Å; E691-R694 PolarHBondContact O-N 3.43Å; E691-R694 WeakPolarHBondContact OE1-CD 3.47Å; E691-R694 IonicContact OE1-CZ 3.83Å; E691-R694 IonicContact OE1-NE 2.6Å; E691-R694 PolarHBondContact OE1-NE 3.41Å; E691-R694 IonicContact OE1-NH2 2.76Å; E691-R694 IonicContact OE2-CZ 2.68Å; E691-R694 VanDerWaalsContact OE2-CZ 3.25Å; E691-R694 IonicContact OE2-NE 3.71Å; E691-R694 PolarHBondContact OE2-NE 2.93Å; E691-R694 IonicContact OE2-NH2 3.02Å; E691-R694 PolarHBondContact OE2-NH2 3.25Å; E691-L695 WeakPolarHBondContact O-CB 3.18Å; E691-L695 WeakPolarHBondContact O-CG 3.27Å; E691-L695 PolarHBondContact O-N 3.35Å
692	R	56.2	Low	49.9	Very low	165 Å²	165	83.3 Å²	83.3	62%	0.623	46%	0.456	S	S	*	.	H	α-helix	trans	-61.1	-37.1	172.8	-75.5	169.7	-174.4	176.7	4.2	111.8	A688 T689 L695 A696	A688-R692 VanDerWaalsContact O-CB 3.3Å; A688-R692 WeakPolarHBondContact O-CB 3.49Å; A688-R692 WeakPolarHBondContact O-CD 3.27Å; A688-R692 WeakPolarHBondContact O-CG 3.32Å; A688-R692 PolarHBondContact O-N 3.36Å; T689-R692 PolarHBondContact O-N 3.26Å; R692-L695 PolarHBondContact O-N 3.01Å; R692-A696 WeakPolarHBondContact O-CB 3.31Å; R692-A696 PolarHBondContact O-N 3.49Å
693	L	50.9	Low	49.9	Very low	45 Å²	45	83.3 Å²	83.3	24%	0.236	46%	0.459	C	S	.	.	H	α-helix	trans	-69.6	-39.1	176.3	-153.6	154.3	0	0	0	111.1	V555 T689 A690 E691 L697	V555-L693 HydrophobicContact CG2-CD1 3.57Å; V555-L693 HydrophobicContact CG2-CG 4.4Å; T689-L693 VanDerWaalsContact O-CB 3.32Å; T689-L693 WeakPolarHBondContact O-CB 3.48Å; T689-L693 PolarHBondContact O-N 3.06Å; A690-L693 WeakPolarHBondContact O-CB 3.09Å; A690-L693 PolarHBondContact O-N 3.11Å; E691-L693 VanDerWaalsContact C-N 3.26Å; E691-L693 PolarHBondContact O-N 2.88Å; L693-L697 HydrophobicContact CD2-CD1 3.7Å; L693-L697 HydrophobicContact CD2-CG 4.32Å; L693-L697 WeakPolarHBondContact O-CB 3.3Å; L693-L697 VanDerWaalsContact O-CG 3.3Å; L693-L697 WeakPolarHBondContact O-CG 3.36Å; L693-L697 PolarHBondContact O-N 3.46Å; L693-L697 VanDerWaalsContact O-N 3.07Å
694	R	60.2	Low	49.3	Very low	99 Å²	99	88.2 Å²	88.2	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-45.6	171.6	-168	-171.4	65.9	67.8	9.9	111.8	A690 E691 L697 Q698	A690-R694 PolarHBondContact O-N 3.43Å; E691-R694 VanDerWaalsContact CD-NE 3.26Å; E691-R694 WeakPolarHBondContact O-CB 3.15Å; E691-R694 PolarHBondContact O-N 3.43Å; E691-R694 WeakPolarHBondContact OE1-CD 3.47Å; E691-R694 IonicContact OE1-CZ 3.83Å; E691-R694 IonicContact OE1-NE 2.6Å; E691-R694 PolarHBondContact OE1-NE 3.41Å; E691-R694 IonicContact OE1-NH2 2.76Å; E691-R694 IonicContact OE2-CZ 2.68Å; E691-R694 VanDerWaalsContact OE2-CZ 3.25Å; E691-R694 IonicContact OE2-NE 3.71Å; E691-R694 PolarHBondContact OE2-NE 2.93Å; E691-R694 IonicContact OE2-NH2 3.02Å; E691-R694 PolarHBondContact OE2-NH2 3.25Å; R694-L697 PolarHBondContact O-N 2.97Å; R694-Q698 VanDerWaalsContact NH1-NE2 3.19Å; R694-Q698 WeakPolarHBondContact O-CG 3.33Å; R694-Q698 PolarHBondContact O-N 2.72Å
695	L	61.3	Low	48.6	Very low	87 Å²	87	89 Å²	89	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-45.3	177	-75.7	173.5	0	0	0	112	E691 R692 L697 Q698 T699	E691-L695 WeakPolarHBondContact O-CB 3.18Å; E691-L695 WeakPolarHBondContact O-CG 3.27Å; E691-L695 PolarHBondContact O-N 3.35Å; R692-L695 PolarHBondContact O-N 3.01Å; L695-L697 VanDerWaalsContact C-N 3.32Å; L695-L697 PolarHBondContact O-N 3.39Å; L695-Q698 PolarHBondContact O-N 2.88Å; L695-Q698 VanDerWaalsContact O-N 3.12Å; L695-T699 PolarHBondContact O-N 2.89Å; L695-T699 PolarHBondContact O-OG1 2.79Å; L695-T699 VanDerWaalsContact O-OG1 3.05Å
696	A	49.2	Very low	48.1	Very low	41 Å²	41	93 Å²	93	34%	0.339	50%	0.501	S	S	.	.	H	α-helix	trans	-59.4	-42.5	176.5	0	0	0	0	0	112.1	R692 T699 I700	R692-A696 WeakPolarHBondContact O-CB 3.31Å; R692-A696 PolarHBondContact O-N 3.49Å; A696-T699 PolarHBondContact O-N 3.37Å; A696-I700 WeakPolarHBondContact O-CG1 3.27Å; A696-I700 PolarHBondContact O-N 2.96Å; A696-I700 VanDerWaalsContact O-N 3.13Å
697	L	50.2	Low	47.2	Very low	73 Å²	73	93.8 Å²	93.8	38%	0.382	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-35.7	174.4	-70.5	171.5	0	0	0	112.7	L693 R694 L695 K701	L693-L697 HydrophobicContact CD2-CD1 3.7Å; L693-L697 HydrophobicContact CD2-CG 4.32Å; L693-L697 WeakPolarHBondContact O-CB 3.3Å; L693-L697 VanDerWaalsContact O-CG 3.3Å; L693-L697 WeakPolarHBondContact O-CG 3.36Å; L693-L697 PolarHBondContact O-N 3.46Å; L693-L697 VanDerWaalsContact O-N 3.07Å; R694-L697 PolarHBondContact O-N 2.97Å; L695-L697 VanDerWaalsContact C-N 3.32Å; L695-L697 PolarHBondContact O-N 3.39Å; L697-K701 WeakPolarHBondContact O-CG 3.5Å; L697-K701 PolarHBondContact O-N 3.44Å; L697-K701 VanDerWaalsContact O-N 3.13Å
698	Q	52.7	Low	46.2	Very low	103 Å²	103	94.7 Å²	94.7	48%	0.481	53%	0.53	S	S	.	.	H	α-helix	trans	-68.2	-39.6	173.2	-79.8	-171	-30.1	0	0	112.6	R694 L695 I700 K701 A702	R694-Q698 VanDerWaalsContact NH1-NE2 3.19Å; R694-Q698 WeakPolarHBondContact O-CG 3.33Å; R694-Q698 PolarHBondContact O-N 2.72Å; L695-Q698 PolarHBondContact O-N 2.88Å; L695-Q698 VanDerWaalsContact O-N 3.12Å; Q698-I700 VanDerWaalsContact C-N 3.33Å; Q698-I700 PolarHBondContact O-N 2.88Å; Q698-K701 CarbonylContact O-C 3.56Å; Q698-K701 PolarHBondContact O-N 2.95Å; Q698-K701 VanDerWaalsContact O-N 3.16Å; Q698-A702 WeakPolarHBondContact O-CB 3.39Å; Q698-A702 PolarHBondContact O-N 2.95Å
699	T	48.5	Very low	45.1	Very low	90 Å²	90	101.3 Å²	101.3	55%	0.552	56%	0.56	S	S	*	*	H	α-helix	trans	-62.5	-41.5	176.1	-53.1	0	0	0	0	111.2	L695 A696 K701 A702 T703	L695-T699 PolarHBondContact O-N 2.89Å; L695-T699 PolarHBondContact O-OG1 2.79Å; L695-T699 VanDerWaalsContact O-OG1 3.05Å; A696-T699 PolarHBondContact O-N 3.37Å; T699-K701 VanDerWaalsContact C-N 3.33Å; T699-K701 PolarHBondContact O-N 3.4Å; T699-A702 PolarHBondContact O-N 3.05Å; T699-T703 PolarHBondContact O-N 3.02Å; T699-T703 PolarHBondContact O-OG1 2.8Å
700	I	48.4	Very low	44	Very low	72 Å²	72	103 Å²	103	37%	0.369	59%	0.585	S	S	.	*	H	α-helix	trans	-60.9	-41	173.9	-66.3	163.4	0	0	0	111.3	M562 A696 Q698 T703	M562-I700 HydrophobicContact CE-CD1 3.92Å; M562-I700 HydrophobicContact CE-CG1 4.04Å; A696-I700 WeakPolarHBondContact O-CG1 3.27Å; A696-I700 PolarHBondContact O-N 2.96Å; A696-I700 VanDerWaalsContact O-N 3.13Å; Q698-I700 VanDerWaalsContact C-N 3.33Å; Q698-I700 PolarHBondContact O-N 2.88Å; I700-T703 PolarHBondContact O-OG1 3.42Å
701	K	41.7	Very low	42.8	Very low	139 Å²	139	106.4 Å²	106.4	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-71.9	-24.9	176	-71.8	-179.9	-179.4	176.7	0	113.2	E374 L697 Q698 T699	E374-K701 IonicContact OE2-NZ 2.74Å; E374-K701 PolarHBondContact OE2-NZ 3.4Å; L697-K701 WeakPolarHBondContact O-CG 3.5Å; L697-K701 PolarHBondContact O-N 3.44Å; L697-K701 VanDerWaalsContact O-N 3.13Å; Q698-K701 CarbonylContact O-C 3.56Å; Q698-K701 PolarHBondContact O-N 2.95Å; Q698-K701 VanDerWaalsContact O-N 3.16Å; T699-K701 VanDerWaalsContact C-N 3.33Å; T699-K701 PolarHBondContact O-N 3.4Å
702	A	41.7	Very low	41.4	Very low	82 Å²	82	107.1 Å²	107.1	68%	0.678	62%	0.618	S	S	*	*	H	α-helix	trans	-85.3	-19.1	-179.2	0	0	0	0	0	114.5	Q698 T699 H704	Q698-A702 WeakPolarHBondContact O-CB 3.39Å; Q698-A702 PolarHBondContact O-N 2.95Å; T699-A702 PolarHBondContact O-N 3.05Å; A702-H704 VanDerWaalsContact C-N 3.28Å; A702-H704 PolarHBondContact O-N 3.1Å
703	T	39.1	Very low	40.2	Very low	93 Å²	93	107.9 Å²	107.9	57%	0.571	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	7.1	-178.8	43.3	0	0	0	0	115.3	T699 I700	T699-T703 PolarHBondContact O-N 3.02Å; T699-T703 PolarHBondContact O-OG1 2.8Å; I700-T703 PolarHBondContact O-OG1 3.42Å
704	H	31.7	Very low	39.2	Very low	153 Å²	153	114.5 Å²	114.5	71%	0.708	66%	0.658	S	S	*	*			trans	-118.5	99.9	179.6	-75.2	-69.8	0	0	0	112.5	A702 F706	A702-H704 VanDerWaalsContact C-N 3.28Å; A702-H704 PolarHBondContact O-N 3.1Å; H704-F706 PolarHBondContact O-N 3.23Å
705	P	30.6	Very low	37.7	Very low	110 Å²	110	114.1 Å²	114.1	71%	0.714	67%	0.67	S	S	*	*			trans	-88.4	89	176.8	34.2	-31.6	0	0	0	110.7
706	F	33.1	Very low	36.3	Very low	212 Å²	212	114.9 Å²	114.9	93%	0.93	68%	0.679	S	S	*	*			trans	-160.5	98.6	153.7	-95.3	-62.4	0	0	0	111	H704	H704-F706 PolarHBondContact O-N 3.23Å
707	S	29.8	Very low	35.7	Very low	125 Å²	125	117.5 Å²	117.5	87%	0.874	70%	0.695	S	S	*	*			trans	-84.1	133.8	168.5	46.6	0	0	0	0	110.6
708	G	32	Very low	35	Very low	76 Å²	76	117.9 Å²	117.9	78%	0.784	70%	0.7	S	S	*	*			trans	-149.3	115	175.8	0	0	0	0	0	111
709	N	29.5	Very low	34	Very low	177 Å²	177	114.8 Å²	114.8	95%	0.947	69%	0.692	S	S	*	*			trans	-67.3	141.8	-176.1	-65.7	-28.8	0	0	0	112.4
710	G	26.3	Very low	33.4	Very low	72 Å²	72	116.8 Å²	116.8	74%	0.742	70%	0.695	S	S	*	*			trans	176	105.5	167.4	0	0	0	0	0	117.2
711	C	28.6	Very low	32.6	Very low	131 Å²	131	122.3 Å²	122.3	89%	0.885	71%	0.711	S	S	*	*			trans	62.1	107.3	158.1	-64.3	0	0	0	0	120.1
712	S	28.1	Very low	32.3	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	71%	0.706	S	S	*	*			trans	-59.5	129.4	156.9	50.2	0	0	0	0	113.5
713	H	30.6	Very low	31.9	Very low	181 Å²	181	123.5 Å²	123.5	84%	0.838	71%	0.705	S	S	*	*			trans	-162.7	130.8	144.6	-90.8	-65.2	0	0	0	111.2
714	E	29	Very low	31.7	Very low	184 Å²	184	123.3 Å²	123.3	86%	0.86	70%	0.696	S	S	*	*			trans	50.2	80.7	158.8	-58.1	-171.3	144.5	0	0	119.9
715	S	29.7	Very low	31.9	Very low	90 Å²	90	119.4 Å²	119.4	63%	0.629	68%	0.68	S	S	*	*			trans	-112.2	11.6	171	55	0	0	0	0	115	S717 V718 A719	S715-S717 PolarHBondContact O-N 2.97Å; S715-V718 PolarHBondContact O-N 2.97Å; S715-A719 PolarHBondContact O-N 3.44Å
716	T	32.6	Very low	32.2	Very low	103 Å²	103	120.8 Å²	120.8	63%	0.632	68%	0.681	S	S	*	*	H	α-helix	trans	-68	-28.6	-162.6	-14.2	0	0	0	0	115.6	Q720	T716-Q720 WeakPolarHBondContact O-CG 3.31Å
717	S	36.7	Very low	32.2	Very low	96 Å²	96	114.4 Å²	114.4	67%	0.671	67%	0.668	S	S	*	*	H	α-helix	trans	-88.2	-19.8	-176.5	61.2	0	0	0	0	114.6	S715	S715-S717 PolarHBondContact O-N 2.97Å
718	V	34	Very low	32.6	Very low	82 Å²	82	113 Å²	113	50%	0.497	65%	0.647	S	S	.	*	H	α-helix	trans	-88.8	-42.6	177	-176.8	0	0	0	0	110	S715 Q720 R721 E722	S715-V718 PolarHBondContact O-N 2.97Å; V718-Q720 VanDerWaalsContact C-N 3.29Å; V718-Q720 PolarHBondContact O-N 2.91Å; V718-R721 WeakPolarHBondContact O-CA 3.32Å; V718-R721 WeakPolarHBondContact O-CB 3.41Å; V718-R721 PolarHBondContact O-N 2.9Å; V718-E722 PolarHBondContact O-N 3.07Å; V718-E722 VanDerWaalsContact O-N 3.09Å
719	A	33.3	Very low	32.6	Very low	38 Å²	38	115.4 Å²	115.4	31%	0.314	64%	0.64	S	S	.	*	H	α-helix	trans	-59.4	-37.4	175.1	0	0	0	0	0	112.8	S715 R721 E722 Q723	S715-A719 PolarHBondContact O-N 3.44Å; A719-R721 VanDerWaalsContact C-N 3.32Å; A719-R721 PolarHBondContact O-N 3.29Å; A719-E722 PolarHBondContact O-N 3.2Å; A719-Q723 WeakPolarHBondContact O-CB 3.49Å; A719-Q723 WeakPolarHBondContact O-CG 3.36Å; A719-Q723 PolarHBondContact O-N 3.37Å
720	Q	34.8	Very low	32.8	Very low	132 Å²	132	112.3 Å²	112.3	62%	0.617	63%	0.627	S	S	*	*	H	α-helix	trans	-62.5	-37.4	172.3	-80.8	-177.6	-25.4	0	0	112.4	T716 V718 F724	T716-Q720 WeakPolarHBondContact O-CG 3.31Å; V718-Q720 VanDerWaalsContact C-N 3.29Å; V718-Q720 PolarHBondContact O-N 2.91Å; Q720-F724 WeakPolarHBondContact O-CB 3.43Å; Q720-F724 PolarHBondContact O-N 2.88Å
721	R	32.3	Very low	33.1	Very low	188 Å²	188	114.2 Å²	114.2	71%	0.709	63%	0.626	S	S	*	*	H	α-helix	trans	-67.9	-39	178.6	-164.6	176.2	-175.4	173.7	0.4	111.7	V718 A719 L725	V718-R721 WeakPolarHBondContact O-CA 3.32Å; V718-R721 WeakPolarHBondContact O-CB 3.41Å; V718-R721 PolarHBondContact O-N 2.9Å; A719-R721 VanDerWaalsContact C-N 3.32Å; A719-R721 PolarHBondContact O-N 3.29Å; R721-L725 HydrophobicContact CG-CD1 4.36Å; R721-L725 WeakPolarHBondContact O-CB 3.4Å; R721-L725 WeakPolarHBondContact O-CD1 3.46Å; R721-L725 WeakPolarHBondContact O-CG 3.4Å; R721-L725 PolarHBondContact O-N 3.13Å
722	E	34.3	Very low	33.2	Very low	104 Å²	104	114.6 Å²	114.6	49%	0.486	62%	0.619	S	S	.	*	H	α-helix	trans	-73.1	-43.1	178.1	-72.1	168.3	-170.6	0	0	112.7	V718 A719 F724 L725 L726	V718-E722 PolarHBondContact O-N 3.07Å; V718-E722 VanDerWaalsContact O-N 3.09Å; A719-E722 PolarHBondContact O-N 3.2Å; E722-F724 VanDerWaalsContact C-N 3.31Å; E722-F724 PolarHBondContact O-N 3.46Å; E722-L725 PolarHBondContact O-N 2.68Å; E722-L726 PolarHBondContact O-N 3.02Å; E722-L726 VanDerWaalsContact O-N 3.1Å
723	Q	34.8	Very low	33.3	Very low	141 Å²	141	114 Å²	114	66%	0.659	62%	0.621	S	S	*	*	H	α-helix	trans	-63.5	-37	174.5	-73.2	-178.5	-13	0	0	111.9	A719 L726 A727	A719-Q723 WeakPolarHBondContact O-CB 3.49Å; A719-Q723 WeakPolarHBondContact O-CG 3.36Å; A719-Q723 PolarHBondContact O-N 3.37Å; Q723-L726 PolarHBondContact O-N 2.76Å; Q723-A727 WeakPolarHBondContact O-CB 3.44Å; Q723-A727 PolarHBondContact O-N 2.6Å
724	F	34.4	Very low	33.2	Very low	89 Å²	89	112.8 Å²	112.8	39%	0.39	62%	0.619	S	S	.	*	H	α-helix	trans	-67	-41.8	175	-163.1	-88.3	0	0	0	112.4	Q720 E722 L726 A727 E728	Q720-F724 WeakPolarHBondContact O-CB 3.43Å; Q720-F724 PolarHBondContact O-N 2.88Å; E722-F724 VanDerWaalsContact C-N 3.31Å; E722-F724 PolarHBondContact O-N 3.46Å; F724-L726 VanDerWaalsContact C-N 3.27Å; F724-L726 PolarHBondContact O-N 3.22Å; F724-A727 PolarHBondContact O-N 3.3Å; F724-E728 WeakPolarHBondContact CE1-OE2 3.3Å; F724-E728 PolarHBondContact O-N 3.32Å
725	L	36.3	Very low	33.1	Very low	72 Å²	72	110.4 Å²	110.4	38%	0.377	61%	0.609	S	S	.	*	H	α-helix	trans	-64.8	-27.5	176.2	-77.3	166.5	0	0	0	113.4	R721 E722 M729	R721-L725 HydrophobicContact CG-CD1 4.36Å; R721-L725 WeakPolarHBondContact O-CB 3.4Å; R721-L725 WeakPolarHBondContact O-CD1 3.46Å; R721-L725 WeakPolarHBondContact O-CG 3.4Å; R721-L725 PolarHBondContact O-N 3.13Å; E722-L725 PolarHBondContact O-N 2.68Å; L725-M729 WeakPolarHBondContact O-CG 3.5Å
726	L	35.9	Very low	33.1	Very low	139 Å²	139	110.8 Å²	110.8	73%	0.728	61%	0.61	S	S	*	*	H	α-helix	trans	-85.8	-27.6	175.7	-76	162.2	0	0	0	113.3	E722 Q723 F724	E722-L726 PolarHBondContact O-N 3.02Å; E722-L726 VanDerWaalsContact O-N 3.1Å; Q723-L726 PolarHBondContact O-N 2.76Å; F724-L726 VanDerWaalsContact C-N 3.27Å; F724-L726 PolarHBondContact O-N 3.22Å
727	A	34.1	Very low	33	Very low	78 Å²	78	116.7 Å²	116.7	65%	0.645	63%	0.627	S	S	*	*	H	α-helix	trans	-79.5	-30.4	-178.5	0	0	0	0	0	114.2	Q723 F724 M729	Q723-A727 WeakPolarHBondContact O-CB 3.44Å; Q723-A727 PolarHBondContact O-N 2.6Å; F724-A727 PolarHBondContact O-N 3.3Å; A727-M729 VanDerWaalsContact C-N 3.33Å
728	E	38.2	Very low	33	Very low	96 Å²	96	116.5 Å²	116.5	45%	0.449	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	8.5	-177.4	-119.1	172.6	-164.4	0	0	113.8	R514 F724	R514-E728 IonicContact CZ-OE1 3.02Å; R514-E728 VanDerWaalsContact CZ-OE1 3.31Å; R514-E728 IonicContact NH1-OE1 3.77Å; R514-E728 PolarHBondContact NH1-OE1 3.32Å; R514-E728 IonicContact NH1-OE2 2.59Å; R514-E728 PolarHBondContact NH1-OE2 3.16Å; R514-E728 VanDerWaalsContact NH1-OE2 3.15Å; R514-E728 IonicContact NH2-OE1 3.15Å; R514-E728 PolarHBondContact NH2-OE1 3.09Å; F724-E728 WeakPolarHBondContact CE1-OE2 3.3Å; F724-E728 PolarHBondContact O-N 3.32Å
729	M	32.2	Very low	33.2	Very low	126 Å²	126	120.4 Å²	120.4	62%	0.621	63%	0.631	S	S	*	*			trans	-104	18.2	-169.6	-97	-174	49.9	0	0	116	L725 A727 P731	L725-M729 WeakPolarHBondContact O-CG 3.5Å; A727-M729 VanDerWaalsContact C-N 3.33Å; M729-P731 VanDerWaalsContact O-CD 3.26Å; M729-P731 WeakPolarHBondContact O-CD 3.48Å
730	T	32.5	Very low	33.4	Very low	112 Å²	112	126 Å²	126	69%	0.687	65%	0.645	S	S	*	*			trans	-71.8	115.5	173.7	26.4	0	0	0	0	111.8	D732	T730-D732 VanDerWaalsContact C-N 3.3Å; T730-D732 PolarHBondContact O-N 3.47Å
731	P	32.5	Very low	33.7	Very low	111 Å²	111	127.2 Å²	127.2	72%	0.721	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-11	-171	-18.5	34.2	0	0	0	115.8	M729 A733	M729-P731 VanDerWaalsContact O-CD 3.26Å; M729-P731 WeakPolarHBondContact O-CD 3.48Å; P731-A733 PolarHBondContact O-N 2.96Å
732	D	31.2	Very low	34.2	Very low	139 Å²	139	125.4 Å²	125.4	74%	0.743	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	7	-162.2	-58.8	-47.1	0	0	0	115.3	T730 I734	T730-D732 VanDerWaalsContact C-N 3.3Å; T730-D732 PolarHBondContact O-N 3.47Å; D732-I734 PolarHBondContact O-N 2.74Å
733	A	29.3	Very low	34.6	Very low	92 Å²	92	124.3 Å²	124.3	76%	0.76	65%	0.648	S	S	*	*			trans	-78.6	44.2	-179.8	0	0	0	0	0	114.2	P731 M735	P731-A733 PolarHBondContact O-N 2.96Å; A733-M735 PolarHBondContact O-N 3.31Å
734	I	29.1	Very low	34.9	Very low	156 Å²	156	122.5 Å²	122.5	80%	0.8	64%	0.638	S	S	*	*			trans	-79.5	76.6	161.2	-54.5	-180	0	0	0	107.5	D732 P736	D732-I734 PolarHBondContact O-N 2.74Å; I734-P736 WeakPolarHBondContact O-CD 3.42Å
735	M	26.6	Very low	35.3	Very low	134 Å²	134	120.4 Å²	120.4	66%	0.66	63%	0.634	S	S	*	*			trans	-71.8	122.7	173.4	-130.1	-171.9	82.9	0	0	109	A733	A733-M735 PolarHBondContact O-N 3.31Å
736	P	30.7	Very low	36.1	Very low	98 Å²	98	121.2 Å²	121.2	64%	0.636	65%	0.645	S	S	*	*			trans	-63.9	151.4	170.6	28.2	-33.8	0	0	0	109.7	I734 N738	I734-P736 WeakPolarHBondContact O-CD 3.42Å; P736-N738 VanDerWaalsContact C-N 3.34Å; P736-N738 PolarHBondContact O-N 2.79Å
737	F	30.4	Very low	37.1	Very low	227 Å²	227	118.7 Å²	118.7	100%	0.996	64%	0.644	S	S	*	*			trans	-63.4	95.4	170.8	-81	-95.9	0	0	0	109.1
738	N	35.8	Very low	37.5	Very low	92 Å²	92	120.5 Å²	120.5	49%	0.492	64%	0.643	S	S	.	*			trans	-92.5	133.3	176.9	178.8	-34.5	0	0	0	109.5	P736 Y740 W741	P736-N738 VanDerWaalsContact C-N 3.34Å; P736-N738 PolarHBondContact O-N 2.79Å; N738-Y740 PolarHBondContact O-N 3.44Å; N738-Y740 WeakPolarHBondContact OD1-CB 3.44Å; N738-Y740 PolarHBondContact OD1-N 3.35Å; N738-W741 PolarHBondContact O-N 2.8Å
739	E	38.8	Very low	37.3	Very low	165 Å²	165	118.9 Å²	118.9	77%	0.771	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43	-26.5	176.3	-60.2	169.7	154.4	0	0	114.2	W741 E742 S743	E739-W741 PolarHBondContact O-N 3.3Å; E739-W741 VanDerWaalsContact O-N 3.12Å; E739-E742 PolarHBondContact O-N 3.4Å; E739-E742 VanDerWaalsContact O-N 3.11Å; E739-S743 PolarHBondContact O-N 3.07Å
740	Y	37.6	Very low	37.7	Very low	154 Å²	154	118.8 Å²	118.8	60%	0.604	65%	0.653	S	S	*	*	H	α-helix	trans	-51.5	-31.6	174.3	-163.6	-101.2	0	0	0	114.1	N738 K744	N738-Y740 PolarHBondContact O-N 3.44Å; N738-Y740 WeakPolarHBondContact OD1-CB 3.44Å; N738-Y740 PolarHBondContact OD1-N 3.35Å; Y740-K744 HydrophobicContact CE1-CD 4.33Å; Y740-K744 PolarHBondContact O-N 2.86Å; Y740-K744 VanDerWaalsContact O-N 3.11Å
741	W	41.4	Very low	37.6	Very low	158 Å²	158	117.6 Å²	117.6	60%	0.598	65%	0.649	S	S	*	*	H	α-helix	trans	-76.7	-34.2	178	-106.9	107.5	0	0	0	113.8	N738 E739 K744 C745	N738-W741 PolarHBondContact O-N 2.8Å; E739-W741 PolarHBondContact O-N 3.3Å; E739-W741 VanDerWaalsContact O-N 3.12Å; W741-K744 PolarHBondContact O-N 3.03Å; W741-C745 PolarHBondContact O-N 3.12Å; W741-C745 PolarHBondContact O-SG 2.84Å
742	E	42.2	Very low	37.8	Very low	151 Å²	151	118.7 Å²	118.7	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-69.7	-38.1	174.3	-68.7	-160.6	133.1	0	0	111.4	E739 K744 C745 S746	E739-E742 PolarHBondContact O-N 3.4Å; E739-E742 VanDerWaalsContact O-N 3.11Å; E742-K744 VanDerWaalsContact C-N 3.31Å; E742-K744 PolarHBondContact O-N 3.44Å; E742-C745 PolarHBondContact O-N 3.05Å; E742-S746 WeakPolarHBondContact O-CB 3.49Å; E742-S746 PolarHBondContact O-N 2.95Å; E742-S746 PolarHBondContact O-OG 3.38Å
743	S	43.6	Very low	37.8	Very low	80 Å²	80	117.8 Å²	117.8	56%	0.559	65%	0.65	S	S	*	*	H	α-helix	trans	-57.9	-43	169.8	-175.8	0	0	0	0	111.5	E739 S746 A747	E739-S743 PolarHBondContact O-N 3.07Å; S743-S746 PolarHBondContact O-N 3.13Å; S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 2.81Å
744	K	40.1	Very low	38.1	Very low	103 Å²	103	124.5 Å²	124.5	45%	0.448	66%	0.656	S	S	.	*	H	α-helix	trans	-70.2	-39.2	178.2	-129.9	173.1	-173.4	176.5	0	113.8	Y740 W741 E742 S746 A747 L748	Y740-K744 HydrophobicContact CE1-CD 4.33Å; Y740-K744 PolarHBondContact O-N 2.86Å; Y740-K744 VanDerWaalsContact O-N 3.11Å; W741-K744 PolarHBondContact O-N 3.03Å; E742-K744 VanDerWaalsContact C-N 3.31Å; E742-K744 PolarHBondContact O-N 3.44Å; K744-S746 VanDerWaalsContact C-N 3.33Å; K744-A747 PolarHBondContact O-N 3.09Å; K744-L748 WeakPolarHBondContact O-CB 3.33Å; K744-L748 VanDerWaalsContact O-CG 3.28Å; K744-L748 WeakPolarHBondContact O-CG 3.35Å; K744-L748 PolarHBondContact O-N 3.34Å
745	C	42.7	Very low	38.3	Very low	45 Å²	45	121.2 Å²	121.2	30%	0.304	65%	0.652	S	S	.	*	H	α-helix	trans	-64.8	-38.2	173.3	-73.5	0	0	0	0	111.9	W741 E742 L748 G749 I750	W741-C745 PolarHBondContact O-N 3.12Å; W741-C745 PolarHBondContact O-SG 2.84Å; E742-C745 PolarHBondContact O-N 3.05Å; C745-L748 PolarHBondContact O-N 3.13Å; C745-G749 PolarHBondContact O-N 2.85Å; C745-I750 PolarHBondContact O-N 3.18Å
746	S	53.5	Low	39	Very low	89 Å²	89	126.1 Å²	126.1	62%	0.622	66%	0.663	S	S	*	*	H	α-helix	trans	-65.1	-43.9	174	-58	0	0	0	0	111.7	E742 S743 K744 L748 G749	E742-S746 WeakPolarHBondContact O-CB 3.49Å; E742-S746 PolarHBondContact O-N 2.95Å; E742-S746 PolarHBondContact O-OG 3.38Å; S743-S746 PolarHBondContact O-N 3.13Å; K744-S746 VanDerWaalsContact C-N 3.33Å; S746-L748 VanDerWaalsContact C-N 3.31Å; S746-L748 PolarHBondContact O-N 3.16Å; S746-G749 PolarHBondContact O-N 3.46Å
747	A	56.3	Low	39.5	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	67%	0.67	S	S	*	*	H	α-helix	trans	-67.4	-27	177.2	0	0	0	0	0	113.9	S743 K744 G749	S743-A747 WeakPolarHBondContact O-CB 3.49Å; S743-A747 PolarHBondContact O-N 2.81Å; K744-A747 PolarHBondContact O-N 3.09Å; A747-G749 VanDerWaalsContact C-N 3.31Å
748	L	43.6	Very low	39.8	Very low	117 Å²	117	125 Å²	125	61%	0.613	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	1.3	176.6	-72.1	170	0	0	0	113.7	K744 C745 S746 I750	K744-L748 WeakPolarHBondContact O-CB 3.33Å; K744-L748 VanDerWaalsContact O-CG 3.28Å; K744-L748 WeakPolarHBondContact O-CG 3.35Å; K744-L748 PolarHBondContact O-N 3.34Å; C745-L748 PolarHBondContact O-N 3.13Å; S746-L748 VanDerWaalsContact C-N 3.31Å; S746-L748 PolarHBondContact O-N 3.16Å; L748-I750 HydrophobicContact CB-CD1 4.18Å; L748-I750 HydrophobicContact CB-CG1 4.04Å; L748-I750 PolarHBondContact O-N 3.46Å; L748-I750 VanDerWaalsContact O-N 3.16Å
749	G	34.1	Very low	40.4	Very low	62 Å²	62	126.4 Å²	126.4	64%	0.639	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.5	7.4	-177.4	0	0	0	0	0	114.3	C745 S746 A747 S751	C745-G749 PolarHBondContact O-N 2.85Å; S746-G749 PolarHBondContact O-N 3.46Å; A747-G749 VanDerWaalsContact C-N 3.31Å; G749-S751 PolarHBondContact O-N 3.17Å
750	I	38.8	Very low	41	Very low	124 Å²	124	126 Å²	126	64%	0.636	68%	0.679	S	S	*	*			trans	-83.4	54.8	176.3	-46.3	177.9	0	0	0	108.6	C745 L748	C745-I750 PolarHBondContact O-N 3.18Å; L748-I750 HydrophobicContact CB-CD1 4.18Å; L748-I750 HydrophobicContact CB-CG1 4.04Å; L748-I750 PolarHBondContact O-N 3.46Å; L748-I750 VanDerWaalsContact O-N 3.16Å
751	S	32.2	Very low	41.3	Very low	87 Å²	87	127.9 Å²	127.9	61%	0.608	71%	0.71	S	S	*	*			trans	-79.3	122.3	170.1	179.7	0	0	0	0	108.3	G749 S753	G749-S751 PolarHBondContact O-N 3.17Å; S751-S753 PolarHBondContact O-N 3.35Å; S751-S753 VanDerWaalsContact O-N 3.07Å
752	M	36	Very low	41.3	Very low	133 Å²	133	126.4 Å²	126.4	66%	0.655	72%	0.715	S	S	*	*			trans	-62.5	114.5	167	-80.7	-141.3	-63.5	0	0	108.7	R754	M752-R754 PolarHBondContact O-N 3.16Å
753	S	30.3	Very low	41.3	Very low	120 Å²	120	125.1 Å²	125.1	84%	0.839	72%	0.716	S	S	*	*			trans	-41.8	101.5	-172.3	-47.9	0	0	0	0	113.3	S751 A755	S751-S753 PolarHBondContact O-N 3.35Å; S751-S753 VanDerWaalsContact O-N 3.07Å; S753-A755 PolarHBondContact O-N 3.22Å; S753-A755 VanDerWaalsContact O-N 3.14Å
754	R	36.2	Very low	41.1	Very low	233 Å²	233	127.6 Å²	127.6	88%	0.879	73%	0.725	S	S	*	*			trans	-70	102.9	152.5	-75.5	-171.1	-179.1	-174.5	1.9	106.3	M752 R756	M752-R754 PolarHBondContact O-N 3.16Å; R754-R756 PolarHBondContact O-N 3.3Å
755	A	33.5	Very low	41.2	Very low	87 Å²	87	129 Å²	129	72%	0.719	74%	0.741	S	S	*	*			trans	-54.4	112.9	160.1	0	0	0	0	0	107.2	S753	S753-A755 PolarHBondContact O-N 3.22Å; S753-A755 VanDerWaalsContact O-N 3.14Å
756	R	40.9	Very low	41.1	Very low	237 Å²	237	134.3 Å²	134.3	89%	0.894	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-90.7	117.3	158.9	-86.6	-172.5	169.4	179.8	-2.6	105.8	R754	R754-R756 PolarHBondContact O-N 3.3Å
757	D	40.9	Very low	40.3	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.7	140.9	170	-60.8	-64.9	0	0	0	110.1
758	N	36.2	Very low	39.1	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.7	137.7	169.7	-69.4	-23.4	0	0	0	109.8
759	P	49.1	Very low	38.8	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.6	129.7	143.1	31.7	-25.2	0	0	0	109.3
760	L	51.6	Low	39.2	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58.9	160.1	166	-77	147.2	0	0	0	111.2
761	P	44.6	Very low	39.2	Very low	193 Å²	193	151.8 Å²	151.8	100%	1.253	83%	0.825	S	S	*	*			cis	-90.3	0	11.5	-4.9	25.7	0	0	0	115.4

Retrieved 761 of 761 residues in 609 ms (Link to these results)

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