A0A096LS63_POEFO Loading...

Pinin

AlphaFold DB , UniProt , Accession A0A096LS63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 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	71.1	Confident	87.1	Confident	93 Å²	93	69.4 Å²	69.4	46%	0.458	37%	0.368	S	S	.	.				0	-58.9	0	-61.6	-50.2	-76.1	0	0	111.4	V3 A4 V5 Q223 N227 F278	M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 3.11Å; M1-V3 VanDerWaalsContact O-N 3.08Å; M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 VanDerWaalsContact O-CB 3.31Å; M1-A4 WeakPolarHBondContact O-CB 3.39Å; M1-A4 PolarHBondContact O-N 2.86Å; M1-V5 PolarHBondContact O-N 3.47Å; M1-Q223 HydrophobicContact CE-CG 4.08Å; M1-N227 WeakPolarHBondContact CG-ND2 3.4Å; M1-F278 HydrophobicContact CE-CE1 4.05Å
2	A	74.2	Confident	87.8	Confident	35 Å²	35	64.8 Å²	64.8	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-40.3	-48.4	172.3	0	0	0	0	0	115.7	A4 V5 R6 E224	A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 2.65Å; A2-V5 PolarHBondContact O-N 3.37Å; A2-R6 WeakPolarHBondContact O-CG 3.44Å; A2-R6 PolarHBondContact O-N 2.72Å; A2-E224 WeakPolarHBondContact CA-OE1 3.28Å; A2-E224 WeakPolarHBondContact CA-OE2 3.33Å; A2-E224 VanDerWaalsContact CB-OE1 3.23Å; A2-E224 WeakPolarHBondContact CB-OE1 3.39Å; A2-E224 PolarHBondContact N-OE1 3.48Å
3	V	80.8	Confident	88.4	Confident	114 Å²	114	69.2 Å²	69.2	69%	0.691	36%	0.361	S	S	*	.	H	α-helix	trans	-62.1	-36.9	177.5	-176.9	0	0	0	0	112.2	M1 S7	M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 3.11Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 2.96Å; V3-S7 PolarHBondContact O-OG 2.91Å
4	A	83.8	Confident	89	Confident	39 Å²	39	73.7 Å²	73.7	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-72	-40.3	177.2	0	0	0	0	0	112.2	M1 A2 R6 S7 L8	M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 VanDerWaalsContact O-CB 3.31Å; M1-A4 WeakPolarHBondContact O-CB 3.39Å; M1-A4 PolarHBondContact O-N 2.86Å; A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 2.65Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-S7 WeakPolarHBondContact CA-OG 3.29Å; A4-S7 PolarHBondContact O-N 2.77Å; A4-S7 PolarHBondContact O-OG 2.88Å; A4-L8 WeakPolarHBondContact O-CB 3.16Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.41Å; A4-L8 PolarHBondContact O-N 2.84Å
5	V	88.9	Confident	89.3	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-48.2	173.5	175.5	0	0	0	0	109.9	M1 A2 L8 Q9 A220 Q221 E224	M1-V5 PolarHBondContact O-N 3.47Å; A2-V5 PolarHBondContact O-N 3.37Å; V5-L8 PolarHBondContact O-N 3.34Å; V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.5Å; V5-Q9 PolarHBondContact O-N 3.34Å; V5-A220 HydrophobicContact CG2-CB 3.84Å; V5-Q221 HydrophobicContact CG1-CG 3.76Å; V5-E224 HydrophobicContact CG2-CB 4.19Å
6	R	92.5	Very high	89.7	Confident	162 Å²	162	70.4 Å²	70.4	61%	0.611	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-49.1	175.2	-68.4	174	-169.8	173.4	2.2	112.1	A2 A4 L8 Q9 D10	A2-R6 WeakPolarHBondContact O-CG 3.44Å; A2-R6 PolarHBondContact O-N 2.72Å; A4-R6 VanDerWaalsContact C-N 3.34Å; R6-L8 VanDerWaalsContact C-N 3.25Å; R6-L8 PolarHBondContact O-N 2.76Å; R6-Q9 CarbonylContact O-C 3.6Å; R6-Q9 WeakPolarHBondContact O-CA 3.29Å; R6-Q9 WeakPolarHBondContact O-CB 3.2Å; R6-Q9 PolarHBondContact O-N 2.9Å; R6-D10 PolarHBondContact O-N 3.2Å
7	S	93	Very high	90	Very high	47 Å²	47	72.4 Å²	72.4	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-32.3	179.4	64.4	0	0	0	0	113.4	V3 A4 Q11	V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 2.96Å; V3-S7 PolarHBondContact O-OG 2.91Å; A4-S7 WeakPolarHBondContact CA-OG 3.29Å; A4-S7 PolarHBondContact O-N 2.77Å; A4-S7 PolarHBondContact O-OG 2.88Å; S7-Q11 WeakPolarHBondContact O-CB 3.41Å; S7-Q11 VanDerWaalsContact O-CG 3.23Å; S7-Q11 WeakPolarHBondContact O-CG 3.38Å; S7-Q11 PolarHBondContact O-N 2.62Å
8	L	91.9	Very high	90.3	Very high	25 Å²	25	70.2 Å²	70.2	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-73	-34.6	173.6	-71.2	168.1	0	0	0	111.6	A4 V5 R6 Q11 L12 K216 V217 A220	A4-L8 WeakPolarHBondContact O-CB 3.16Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.41Å; A4-L8 PolarHBondContact O-N 2.84Å; V5-L8 PolarHBondContact O-N 3.34Å; R6-L8 VanDerWaalsContact C-N 3.25Å; R6-L8 PolarHBondContact O-N 2.76Å; L8-Q11 PolarHBondContact O-N 2.72Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.33Å; L8-K216 HydrophobicContact CD1-CB 4.38Å; L8-K216 HydrophobicContact CD2-CB 4.2Å; L8-K216 HydrophobicContact CD2-CD 4.21Å; L8-V217 HydrophobicContact CB-CG2 3.57Å; L8-A220 HydrophobicContact CD1-CB 3.77Å
9	Q	93.3	Very high	90.5	Very high	67 Å²	67	67.6 Å²	67.6	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-46.8	170.9	-70.5	168.4	-44.3	0	0	111.1	V5 R6 Q11 L12 E13 V217	V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.5Å; V5-Q9 PolarHBondContact O-N 3.34Å; R6-Q9 CarbonylContact O-C 3.6Å; R6-Q9 WeakPolarHBondContact O-CA 3.29Å; R6-Q9 WeakPolarHBondContact O-CB 3.2Å; R6-Q9 PolarHBondContact O-N 2.9Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.11Å; Q9-L12 WeakPolarHBondContact O-CB 3.39Å; Q9-L12 PolarHBondContact O-N 2.88Å; Q9-L12 VanDerWaalsContact O-N 3.09Å; Q9-E13 WeakPolarHBondContact O-CG 3.29Å; Q9-E13 PolarHBondContact O-N 3.06Å; Q9-V217 HydrophobicContact CG-CG1 3.88Å; Q9-V217 HydrophobicContact CG-CG2 4.15Å
10	D	95.6	Very high	90.7	Very high	79 Å²	79	70 Å²	70	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-41.1	175.6	-56.9	-24.5	0	0	0	111.7	R6 K14	R6-D10 PolarHBondContact O-N 3.2Å; D10-K14 WeakPolarHBondContact O-CB 3.31Å; D10-K14 WeakPolarHBondContact O-CD 3.45Å; D10-K14 WeakPolarHBondContact O-CG 3.42Å; D10-K14 PolarHBondContact O-N 2.7Å
11	Q	93.7	Very high	90.8	Very high	96 Å²	96	71.9 Å²	71.9	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-42.1	174.8	-76.9	172.8	9.2	0	0	111.9	S7 L8 Q9 K14 A15 L213	S7-Q11 WeakPolarHBondContact O-CB 3.41Å; S7-Q11 VanDerWaalsContact O-CG 3.23Å; S7-Q11 WeakPolarHBondContact O-CG 3.38Å; S7-Q11 PolarHBondContact O-N 2.62Å; L8-Q11 PolarHBondContact O-N 2.72Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.11Å; Q11-K14 PolarHBondContact O-N 3.47Å; Q11-A15 VanDerWaalsContact O-CB 3.28Å; Q11-A15 WeakPolarHBondContact O-CB 3.4Å; Q11-A15 PolarHBondContact O-N 3.27Å; Q11-L213 HydrophobicContact CB-CD2 4.21Å
12	L	94.8	Very high	91.9	Very high	14 Å²	14	67.8 Å²	67.8	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-38.6	178.4	-164.3	174.6	0	0	0	111.1	L8 Q9 A15 K16 L213 E214 V217	L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.33Å; Q9-L12 WeakPolarHBondContact O-CB 3.39Å; Q9-L12 PolarHBondContact O-N 2.88Å; Q9-L12 VanDerWaalsContact O-N 3.09Å; L12-A15 PolarHBondContact O-N 3.16Å; L12-K16 HydrophobicContact CD2-CD 3.6Å; L12-K16 HydrophobicContact CD2-CG 4.21Å; L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 3.45Å; L12-L213 HydrophobicContact CB-CB 4.21Å; L12-L213 HydrophobicContact CG-CB 4.14Å; L12-E214 HydrophobicContact CD1-CB 4.36Å; L12-E214 HydrophobicContact CD1-CG 3.79Å; L12-E214 HydrophobicContact CD2-CG 4.1Å; L12-E214 HydrophobicContact CG-CG 4.09Å; L12-V217 HydrophobicContact CD1-CB 4.04Å; L12-V217 HydrophobicContact CD1-CG2 3.63Å
13	E	95.7	Very high	92.9	Very high	122 Å²	122	66.7 Å²	66.7	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-46	174.4	-70.9	-176.2	-179.4	0	0	112	Q9 A15 K16 E17	Q9-E13 WeakPolarHBondContact O-CG 3.29Å; Q9-E13 PolarHBondContact O-N 3.06Å; E13-A15 VanDerWaalsContact C-N 3.28Å; E13-A15 PolarHBondContact O-N 2.84Å; E13-K16 WeakPolarHBondContact O-CA 3.45Å; E13-K16 WeakPolarHBondContact O-CB 3.44Å; E13-K16 PolarHBondContact O-N 3.42Å; E13-K16 VanDerWaalsContact O-N 3.1Å; E13-E17 WeakPolarHBondContact O-CG 3.25Å; E13-E17 PolarHBondContact O-N 3.09Å
14	K	96.3	Very high	93.5	Very high	133 Å²	133	63.9 Å²	63.9	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-36.8	171.9	-70.5	162.8	-170.7	167.7	0	112.2	D10 Q11 E17 S18	D10-K14 WeakPolarHBondContact O-CB 3.31Å; D10-K14 WeakPolarHBondContact O-CD 3.45Å; D10-K14 WeakPolarHBondContact O-CG 3.42Å; D10-K14 PolarHBondContact O-N 2.7Å; Q11-K14 PolarHBondContact O-N 3.47Å; K14-E17 PolarHBondContact O-N 3.48Å; K14-S18 WeakPolarHBondContact O-CB 3.25Å; K14-S18 PolarHBondContact O-N 3.32Å
15	A	94.3	Very high	94	Very high	7 Å²	7	65.1 Å²	65.1	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-42.1	173.5	0	0	0	0	0	112	Q11 L12 E13 E17 S18 L19 L213	Q11-A15 VanDerWaalsContact O-CB 3.28Å; Q11-A15 WeakPolarHBondContact O-CB 3.4Å; Q11-A15 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 3.16Å; E13-A15 VanDerWaalsContact C-N 3.28Å; E13-A15 PolarHBondContact O-N 2.84Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.48Å; A15-S18 PolarHBondContact O-N 2.99Å; A15-S18 PolarHBondContact O-OG 3.5Å; A15-S18 VanDerWaalsContact O-OG 3.11Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.16Å; A15-L213 HydrophobicContact CB-CD1 3.61Å
16	K	94.9	Very high	94.1	Very high	87 Å²	87	65 Å²	65	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-42.3	172.6	-81.6	167.3	173.6	166.6	0	111.7	L12 E13 L19 K20 L210 E214	L12-K16 HydrophobicContact CD2-CD 3.6Å; L12-K16 HydrophobicContact CD2-CG 4.21Å; L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 3.45Å; E13-K16 WeakPolarHBondContact O-CA 3.45Å; E13-K16 WeakPolarHBondContact O-CB 3.44Å; E13-K16 PolarHBondContact O-N 3.42Å; E13-K16 VanDerWaalsContact O-N 3.1Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-K20 WeakPolarHBondContact O-CG 3.47Å; K16-K20 PolarHBondContact O-N 3.09Å; K16-L210 HydrophobicContact CB-CD1 4.46Å; K16-L210 HydrophobicContact CG-CD1 3.68Å; K16-L210 HydrophobicContact CG-CG 4.12Å; K16-E214 IonicContact NZ-OE1 2.63Å
17	E	95.4	Very high	94.2	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-69.7	-44.5	177.3	-69.1	-179.3	159.4	0	0	112.6	E13 K14 A15 L19 K20 N21	E13-E17 WeakPolarHBondContact O-CG 3.25Å; E13-E17 PolarHBondContact O-N 3.09Å; K14-E17 PolarHBondContact O-N 3.48Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.48Å; E17-L19 PolarHBondContact O-N 3.23Å; E17-K20 WeakPolarHBondContact O-CB 3.35Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 VanDerWaalsContact O-N 3.07Å; E17-N21 VanDerWaalsContact O-CG 3.31Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-OD1 3.17Å
18	S	94.7	Very high	94.1	Very high	34 Å²	34	67.8 Å²	67.8	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-25.5	176.1	83	0	0	0	0	112.8	K14 A15 V22 K206	K14-S18 WeakPolarHBondContact O-CB 3.25Å; K14-S18 PolarHBondContact O-N 3.32Å; A15-S18 PolarHBondContact O-N 2.99Å; A15-S18 PolarHBondContact O-OG 3.5Å; A15-S18 VanDerWaalsContact O-OG 3.11Å; S18-V22 WeakPolarHBondContact O-CG2 3.46Å; S18-V22 PolarHBondContact O-N 2.8Å; S18-K206 WeakPolarHBondContact O-CD 3.38Å; S18-K206 PolarHBondContact O-NZ 3.21Å; S18-K206 VanDerWaalsContact OG-CE 3.25Å; S18-K206 WeakPolarHBondContact OG-CE 3.32Å
19	L	94.2	Very high	93.9	Very high	20 Å²	20	70 Å²	70	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-76.3	-41.6	170.6	179.4	61.7	0	0	0	112.5	A15 K16 E17 N21 V22 D23 R203 K206 Q207 L210	A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.16Å; K16-L19 PolarHBondContact O-N 3.49Å; E17-L19 PolarHBondContact O-N 3.23Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 2.96Å; L19-V22 PolarHBondContact O-N 2.81Å; L19-D23 PolarHBondContact O-N 2.99Å; L19-R203 HydrophobicContact CD1-CG 3.77Å; L19-K206 HydrophobicContact CB-CB 4.29Å; L19-K206 HydrophobicContact CD1-CB 4.06Å; L19-Q207 HydrophobicContact CD1-CG 3.92Å; L19-Q207 HydrophobicContact CD2-CG 3.71Å; L19-L210 HydrophobicContact CD2-CD1 3.63Å
20	K	94.3	Very high	93.6	Very high	116 Å²	116	68.9 Å²	68.9	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-45.3	172.1	-67.2	167.8	-162	165	0	110.8	K16 E17 V22 D23 D24	K16-K20 WeakPolarHBondContact O-CG 3.47Å; K16-K20 PolarHBondContact O-N 3.09Å; E17-K20 WeakPolarHBondContact O-CB 3.35Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 VanDerWaalsContact O-N 3.07Å; K20-V22 VanDerWaalsContact C-N 3.29Å; K20-V22 PolarHBondContact O-N 2.85Å; K20-D23 PolarHBondContact O-N 2.86Å; K20-D23 VanDerWaalsContact O-N 3.14Å; K20-D24 PolarHBondContact O-N 2.98Å
21	N	94.6	Very high	93.2	Very high	110 Å²	110	68.2 Å²	68.2	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-61.6	-36.3	-179.4	-66.1	-6	0	0	0	112.6	E17 L19 N25	E17-N21 VanDerWaalsContact O-CG 3.31Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-OD1 3.17Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 2.96Å; N21-N25 PolarHBondContact O-N 3.29Å
22	V	94.1	Very high	92.7	Very high	6 Å²	6	70.8 Å²	70.8	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-73.5	-41.8	173.8	172.9	0	0	0	0	111.2	S18 L19 K20 D24 N25 I26 L199 E202 R203 K206	S18-V22 WeakPolarHBondContact O-CG2 3.46Å; S18-V22 PolarHBondContact O-N 2.8Å; L19-V22 PolarHBondContact O-N 2.81Å; K20-V22 VanDerWaalsContact C-N 3.29Å; K20-V22 PolarHBondContact O-N 2.85Å; V22-D24 PolarHBondContact O-N 2.84Å; V22-N25 PolarHBondContact O-N 2.97Å; V22-N25 VanDerWaalsContact O-N 3.11Å; V22-I26 HydrophobicContact CG1-CD1 3.9Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.05Å; V22-I26 PolarHBondContact O-N 2.85Å; V22-L199 HydrophobicContact CG1-CD2 4.24Å; V22-L199 WeakPolarHBondContact CG1-O 3.23Å; V22-E202 HydrophobicContact CG2-CG 4.26Å; V22-E202 VanDerWaalsContact CG2-OE1 3.28Å; V22-E202 WeakPolarHBondContact CG2-OE1 3.5Å; V22-E202 VanDerWaalsContact CG2-OE2 3.3Å; V22-E202 WeakPolarHBondContact CG2-OE2 3.49Å; V22-R203 HydrophobicContact CG1-CB 3.87Å; V22-R203 HydrophobicContact CG1-CG 4.5Å; V22-K206 HydrophobicContact CG2-CD 4Å; V22-K206 VanDerWaalsContact CG2-NZ 3.3Å
23	D	93.6	Very high	92.2	Very high	13 Å²	13	72.1 Å²	72.1	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-37.8	174.4	-81.7	3.9	0	0	0	111.4	L19 K20 R27 P34 N35 R203	L19-D23 PolarHBondContact O-N 2.99Å; K20-D23 PolarHBondContact O-N 2.86Å; K20-D23 VanDerWaalsContact O-N 3.14Å; D23-R27 WeakPolarHBondContact O-CB 3.42Å; D23-R27 PolarHBondContact O-N 3.49Å; D23-P34 HydrophobicContact CB-CG 3.8Å; D23-P34 WeakPolarHBondContact O-CD 3.43Å; D23-P34 WeakPolarHBondContact OD1-CG 3.33Å; D23-N35 PolarHBondContact OD2-ND2 2.97Å; D23-R203 WeakPolarHBondContact OD1-CD 3.23Å; D23-R203 WeakPolarHBondContact OD1-CG 3.42Å; D23-R203 IonicContact OD1-CZ 2.67Å; D23-R203 IonicContact OD1-NE 2.62Å; D23-R203 PolarHBondContact OD1-NE 2.88Å; D23-R203 IonicContact OD1-NH2 3.69Å; D23-R203 PolarHBondContact OD1-NH2 3.29Å; D23-R203 IonicContact OD2-CZ 2.59Å; D23-R203 IonicContact OD2-NE 3.29Å; D23-R203 IonicContact OD2-NH2 3.85Å; D23-R203 PolarHBondContact OD2-NH2 3.11Å
24	D	94.3	Very high	91.5	Very high	54 Å²	54	67.5 Å²	67.5	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-74.5	-29.7	174.7	-76	-28.9	0	0	0	114.1	K20 V22 R27 K28	K20-D24 PolarHBondContact O-N 2.98Å; V22-D24 PolarHBondContact O-N 2.84Å; D24-R27 WeakPolarHBondContact O-CB 3.12Å; D24-R27 PolarHBondContact O-N 3.18Å; D24-R27 IonicContact OD1-CZ 2.66Å; D24-R27 IonicContact OD1-NE 3.25Å; D24-R27 PolarHBondContact OD1-NE 2.89Å; D24-R27 IonicContact OD1-NH2 3.04Å; D24-R27 PolarHBondContact OD1-NH2 3.34Å; D24-K28 WeakPolarHBondContact O-CD 3.44Å; D24-K28 VanDerWaalsContact O-CG 3.26Å; D24-K28 WeakPolarHBondContact O-CG 3.38Å; D24-K28 PolarHBondContact O-N 2.86Å
25	N	93.8	Very high	90.8	Very high	66 Å²	66	66 Å²	66	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-44.2	171.4	-161.7	2.9	0	0	0	110.9	N21 V22 R27 K28 L29 L199	N21-N25 PolarHBondContact O-N 3.29Å; V22-N25 PolarHBondContact O-N 2.97Å; V22-N25 VanDerWaalsContact O-N 3.11Å; N25-R27 VanDerWaalsContact C-N 3.27Å; N25-R27 PolarHBondContact O-N 2.88Å; N25-K28 WeakPolarHBondContact O-CB 3.21Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.16Å; N25-L29 PolarHBondContact O-N 2.76Å; N25-L199 HydrophobicContact CB-CD1 4.15Å; N25-L199 HydrophobicContact CB-CD2 4.11Å; N25-L199 WeakPolarHBondContact ND2-CD2 3.5Å
26	I	92.1	Very high	90.1	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-38.5	171.5	-62.6	165	0	0	0	110.8	V22 K28 L29 T30 P34 L199 F200 R203	V22-I26 HydrophobicContact CG1-CD1 3.9Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.05Å; V22-I26 PolarHBondContact O-N 2.85Å; I26-K28 PolarHBondContact O-N 3.04Å; I26-L29 PolarHBondContact O-N 2.98Å; I26-T30 HydrophobicContact CG2-CG2 4.06Å; I26-T30 WeakPolarHBondContact O-CB 3.46Å; I26-T30 WeakPolarHBondContact O-CG2 3.2Å; I26-T30 PolarHBondContact O-N 2.81Å; I26-T30 PolarHBondContact O-OG1 2.95Å; I26-P34 HydrophobicContact CB-CB 4.43Å; I26-P34 HydrophobicContact CB-CG 4.06Å; I26-P34 HydrophobicContact CD1-CB 4.4Å; I26-P34 HydrophobicContact CD1-CG 4.26Å; I26-P34 HydrophobicContact CG2-CB 3.83Å; I26-P34 HydrophobicContact CG2-CG 3.96Å; I26-L199 HydrophobicContact CD1-CB 4.24Å; I26-L199 HydrophobicContact CG1-CB 3.72Å; I26-L199 HydrophobicContact CG1-CD1 4.48Å; I26-F200 HydrophobicContact CD1-CD1 4.09Å; I26-F200 HydrophobicContact CD1-CE1 4.16Å; I26-F200 HydrophobicContact CD1-CG 4.43Å; I26-F200 HydrophobicContact CG2-CE1 3.97Å; I26-F200 HydrophobicContact CG2-CE2 3.86Å; I26-F200 HydrophobicContact CG2-CZ 3.44Å; I26-F200 VanDerWaalsContact CG2-CZ 3.44Å; I26-R203 HydrophobicContact CD1-CB 4Å; I26-R203 HydrophobicContact CD1-CG 4.27Å
27	R	93.1	Very high	88.2	Confident	101 Å²	101	72.5 Å²	72.5	38%	0.381	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-45.3	174.3	-162.7	-158.8	-55.1	-109.3	5.3	111.5	D23 D24 N25 G31 R32 D33	D23-R27 WeakPolarHBondContact O-CB 3.42Å; D23-R27 PolarHBondContact O-N 3.49Å; D24-R27 WeakPolarHBondContact O-CB 3.12Å; D24-R27 PolarHBondContact O-N 3.18Å; D24-R27 IonicContact OD1-CZ 2.66Å; D24-R27 IonicContact OD1-NE 3.25Å; D24-R27 PolarHBondContact OD1-NE 2.89Å; D24-R27 IonicContact OD1-NH2 3.04Å; D24-R27 PolarHBondContact OD1-NH2 3.34Å; N25-R27 VanDerWaalsContact C-N 3.27Å; N25-R27 PolarHBondContact O-N 2.88Å; R27-G31 CarbonylContact O-C 3.56Å; R27-G31 WeakPolarHBondContact O-CA 3.37Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-R32 WeakPolarHBondContact CA-O 3.41Å; R27-R32 PolarHBondContact O-N 3.29Å; R27-D33 WeakPolarHBondContact CG-OD1 3.34Å; R27-D33 IonicContact CZ-OD1 2.67Å; R27-D33 IonicContact CZ-OD2 2.61Å; R27-D33 VanDerWaalsContact CZ-OD2 3.3Å; R27-D33 IonicContact NE-OD1 2.91Å; R27-D33 IonicContact NH1-OD1 2.54Å; R27-D33 PolarHBondContact NH1-OD1 2.89Å; R27-D33 IonicContact NH1-OD2 3.14Å; R27-D33 PolarHBondContact NH1-OD2 3.14Å; R27-D33 IonicContact NH2-OD2 2.79Å
28	K	92.8	Very high	86.7	Confident	167 Å²	167	75.6 Å²	75.6	73%	0.726	38%	0.382	S	S	*	.	H	α-helix	trans	-63.6	-52.3	176.9	-69.6	161	-172.6	173	0	111.8	D24 N25 I26 T30	D24-K28 WeakPolarHBondContact O-CD 3.44Å; D24-K28 VanDerWaalsContact O-CG 3.26Å; D24-K28 WeakPolarHBondContact O-CG 3.38Å; D24-K28 PolarHBondContact O-N 2.86Å; N25-K28 WeakPolarHBondContact O-CB 3.21Å; N25-K28 PolarHBondContact O-N 3Å; N25-K28 VanDerWaalsContact O-N 3.16Å; I26-K28 PolarHBondContact O-N 3.04Å; K28-T30 PolarHBondContact O-N 2.99Å
29	L	87.7	Confident	84.5	Confident	70 Å²	70	79.9 Å²	79.9	37%	0.366	41%	0.409	S	S	.	.	H	α-helix	trans	-74.7	-22.5	-175.5	-74.4	167.3	0	0	0	114.6	N25 I26 L199	N25-L29 PolarHBondContact O-N 2.76Å; I26-L29 PolarHBondContact O-N 2.98Å; L29-L199 HydrophobicContact CD1-CD1 3.44Å; L29-L199 VanDerWaalsContact CD1-CD1 3.44Å
30	T	86.1	Confident	82.6	Confident	44 Å²	44	81.4 Å²	81.4	27%	0.27	43%	0.429	S	S	.	.	H	α-helix	trans	-112.3	-4.9	-179.6	72.1	0	0	0	0	114.4	I26 K28 R32 K196 F200	I26-T30 HydrophobicContact CG2-CG2 4.06Å; I26-T30 WeakPolarHBondContact O-CB 3.46Å; I26-T30 WeakPolarHBondContact O-CG2 3.2Å; I26-T30 PolarHBondContact O-N 2.81Å; I26-T30 PolarHBondContact O-OG1 2.95Å; K28-T30 PolarHBondContact O-N 2.99Å; T30-R32 PolarHBondContact O-N 3.24Å; T30-R32 PolarHBondContact OG1-O 3.43Å; T30-K196 HydrophobicContact CG2-CD 4.07Å; T30-K196 HydrophobicContact CG2-CG 4.28Å; T30-F200 HydrophobicContact CG2-CE2 4.4Å
31	G	86.4	Confident	80.7	Confident	65 Å²	65	81.8 Å²	81.8	67%	0.67	43%	0.433	S	S	*	.	S	Bend	trans	65.1	17.4	-177.2	0	0	0	0	0	114.4	R27	R27-G31 CarbonylContact O-C 3.56Å; R27-G31 WeakPolarHBondContact O-CA 3.37Å; R27-G31 PolarHBondContact O-N 3.43Å
32	R	83.9	Confident	78.5	Confident	151 Å²	151	82.4 Å²	82.4	57%	0.57	44%	0.436	S	S	*	.	S	Bend	trans	-153.6	145.3	-173.4	-59.4	-174.5	-171.3	-158.1	-2.1	112.2	R27 T30	R27-R32 WeakPolarHBondContact CA-O 3.41Å; R27-R32 PolarHBondContact O-N 3.29Å; T30-R32 PolarHBondContact O-N 3.24Å; T30-R32 PolarHBondContact OG1-O 3.43Å
33	D	83.5	Confident	76.5	Confident	41 Å²	41	93.3 Å²	93.3	22%	0.219	48%	0.476	C	S	.	.			trans	-63.7	128.5	174.3	-74.7	43.9	0	0	0	111.5	R27 N35 E36	R27-D33 WeakPolarHBondContact CG-OD1 3.34Å; R27-D33 IonicContact CZ-OD1 2.67Å; R27-D33 IonicContact CZ-OD2 2.61Å; R27-D33 VanDerWaalsContact CZ-OD2 3.3Å; R27-D33 IonicContact NE-OD1 2.91Å; R27-D33 IonicContact NH1-OD1 2.54Å; R27-D33 PolarHBondContact NH1-OD1 2.89Å; R27-D33 IonicContact NH1-OD2 3.14Å; R27-D33 PolarHBondContact NH1-OD2 3.14Å; R27-D33 IonicContact NH2-OD2 2.79Å; D33-N35 PolarHBondContact O-N 3.04Å; D33-N35 VanDerWaalsContact O-N 3.16Å; D33-E36 HydrophobicContact CB-CB 4.01Å; D33-E36 HydrophobicContact CB-CG 3.82Å; D33-E36 PolarHBondContact O-N 2.88Å
34	P	82	Confident	74.5	Confident	25 Å²	25	103.7 Å²	103.7	16%	0.162	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.9	173.9	32.3	-37	0	0	0	113.6	D23 I26 F200 R203	D23-P34 HydrophobicContact CB-CG 3.8Å; D23-P34 WeakPolarHBondContact O-CD 3.43Å; D23-P34 WeakPolarHBondContact OD1-CG 3.33Å; I26-P34 HydrophobicContact CB-CB 4.43Å; I26-P34 HydrophobicContact CB-CG 4.06Å; I26-P34 HydrophobicContact CD1-CB 4.4Å; I26-P34 HydrophobicContact CD1-CG 4.26Å; I26-P34 HydrophobicContact CG2-CB 3.83Å; I26-P34 HydrophobicContact CG2-CG 3.96Å; P34-F200 HydrophobicContact CB-CE1 3.98Å; P34-F200 HydrophobicContact CB-CZ 4.45Å; P34-R203 PolarHBondContact O-NH1 3.43Å; P34-R203 PolarHBondContact O-NH2 3.01Å
35	N	81.8	Confident	72.3	Confident	103 Å²	103	109 Å²	109	55%	0.551	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-25.5	167	-67	-53.4	0	0	0	112.6	D23 D33 S37 R203	D23-N35 PolarHBondContact OD2-ND2 2.97Å; D33-N35 PolarHBondContact O-N 3.04Å; D33-N35 VanDerWaalsContact O-N 3.16Å; N35-S37 PolarHBondContact O-N 3.14Å; N35-R203 VanDerWaalsContact CG-NH2 3.34Å; N35-R203 PolarHBondContact OD1-NH2 3.32Å
36	E	79.1	Confident	69.9	Low	141 Å²	141	111.3 Å²	111.3	66%	0.659	56%	0.563	S	S	*	*	S	Bend	trans	-76.1	108.4	176.3	-76.2	-169	158.8	0	0	110.5	D33 R38	D33-E36 HydrophobicContact CB-CB 4.01Å; D33-E36 HydrophobicContact CB-CG 3.82Å; D33-E36 PolarHBondContact O-N 2.88Å; E36-R38 PolarHBondContact O-N 3.44Å; E36-R38 VanDerWaalsContact O-N 3.07Å
37	S	55.2	Low	67.3	Low	88 Å²	88	114.4 Å²	114.4	62%	0.615	60%	0.596	S	S	*	*			trans	-59.8	113.8	-178.9	-76.8	0	0	0	0	111.7	N35 P39	N35-S37 PolarHBondContact O-N 3.14Å; S37-P39 WeakPolarHBondContact O-CD 3.29Å; S37-P39 VanDerWaalsContact O-N 3.08Å
38	R	64	Low	64.9	Low	170 Å²	170	115.8 Å²	115.8	64%	0.642	62%	0.618	S	S	*	*			trans	-46.2	113.7	-176.7	-160.5	-174.3	-155.2	-136.8	4.2	111.3	E36 G40 Q41	E36-R38 PolarHBondContact O-N 3.44Å; E36-R38 VanDerWaalsContact O-N 3.07Å; R38-G40 VanDerWaalsContact C-N 3.33Å; R38-G40 PolarHBondContact O-N 2.84Å; R38-Q41 PolarHBondContact O-N 3.01Å
39	P	48.5	Very low	62.3	Low	124 Å²	124	116.2 Å²	116.2	81%	0.805	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	87.9	-172.4	25.9	-34.2	0	0	0	111.1	S37	S37-P39 WeakPolarHBondContact O-CD 3.29Å; S37-P39 VanDerWaalsContact O-N 3.08Å
40	G	54.3	Low	60	Low	51 Å²	51	119.4 Å²	119.4	53%	0.526	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	161.4	-32.8	-175.5	0	0	0	0	0	114	R38	R38-G40 VanDerWaalsContact C-N 3.33Å; R38-G40 PolarHBondContact O-N 2.84Å
41	Q	55	Low	57.6	Low	124 Å²	124	120.4 Å²	120.4	58%	0.579	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-32.4	-174.4	-106.8	151.8	-45.6	0	0	114.2	R38 R43 R44	R38-Q41 PolarHBondContact O-N 3.01Å; Q41-R43 PolarHBondContact O-N 2.82Å; Q41-R43 VanDerWaalsContact O-N 3.15Å; Q41-R44 PolarHBondContact O-N 3.11Å
42	L	48.3	Very low	55.4	Low	124 Å²	124	126.2 Å²	126.2	65%	0.649	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-62.9	-21.8	176.8	-81	74.6	0	0	0	113.3	R44	L42-R44 VanDerWaalsContact C-N 3.25Å; L42-R44 PolarHBondContact O-N 2.78Å
43	R	51.2	Low	53	Low	235 Å²	235	122.9 Å²	122.9	89%	0.887	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-74.6	-0.7	179.5	-77.1	-169.3	-176	160.5	3.7	115.3	Q41	Q41-R43 PolarHBondContact O-N 2.82Å; Q41-R43 VanDerWaalsContact O-N 3.15Å
44	R	51	Low	50.9	Low	230 Å²	230	124.9 Å²	124.9	87%	0.868	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-121.5	-1.6	-178.9	-73.3	-170.1	177.8	-91.6	4.5	115.8	Q41 L42	Q41-R44 PolarHBondContact O-N 3.11Å; L42-R44 VanDerWaalsContact C-N 3.25Å; L42-R44 PolarHBondContact O-N 2.78Å
45	L	48.2	Very low	48.8	Very low	167 Å²	167	127.1 Å²	127.1	87%	0.874	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	3.1	-176.8	-70.2	174	0	0	0	115.1
46	S	44.4	Very low	46.9	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	77%	0.772	S	S	*	*	S	Bend	trans	-140.6	108.1	169.4	-168.7	0	0	0	0	110.7
47	G	37.1	Very low	44.8	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	78%	0.775	S	S	*	*			trans	174.9	127.1	-178.4	0	0	0	0	0	110.3
48	P	43.2	Very low	44.4	Very low	131 Å²	131	139.3 Å²	139.3	85%	0.851	79%	0.792	S	S	*	*			trans	-86.5	135.5	-170.7	31.6	-34.1	0	0	0	114.3
49	M	38.4	Very low	43.1	Very low	176 Å²	176	134.6 Å²	134.6	87%	0.867	80%	0.796	S	S	*	*			trans	78	139.1	151.3	-99.9	-64.2	175.7	0	0	121.6
50	V	39.3	Very low	42.7	Very low	137 Å²	137	136.2 Å²	136.2	83%	0.83	80%	0.796	S	S	*	*			trans	65.6	131.3	165.1	-170.8	0	0	0	0	117.9
51	G	35.8	Very low	42.2	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	81%	0.806	S	S	*	*			cis	160.9	129.7	-13	0	0	0	0	0	116.5
52	L	38.8	Very low	41.8	Very low	187 Å²	187	143.2 Å²	143.2	98%	0.979	83%	0.825	S	S	*	*			trans	-134.6	146.7	149.6	-70.7	89.8	0	0	0	106.7
53	G	33.4	Very low	41.7	Very low	82 Å²	82	144.5 Å²	144.5	85%	0.845	83%	0.831	S	S	*	*			cis	179.4	63.3	-1	0	0	0	0	0	113.2
54	G	39.2	Very low	41.2	Very low	83 Å²	83	144.9 Å²	144.9	86%	0.856	83%	0.833	S	S	*	*			trans	108.6	153	174.3	0	0	0	0	0	115.1
55	G	37.8	Very low	40.8	Very low	72 Å²	72	145.6 Å²	145.6	74%	0.742	84%	0.835	S	S	*	*			cis	169.1	154	-10.8	0	0	0	0	0	115.4
56	R	43.4	Very low	40.1	Very low	264 Å²	264	142.8 Å²	142.8	100%	0.996	83%	0.829	S	S	*	*			trans	74.5	130.4	170.9	-55.8	176.2	174.1	171.2	-1.8	117.6
57	G	35.2	Very low	39.8	Very low	70 Å²	70	145 Å²	145	72%	0.722	83%	0.832	S	S	*	*			trans	136.8	65.1	176.1	0	0	0	0	0	112.7
58	R	46.6	Very low	39.8	Very low	254 Å²	254	147.1 Å²	147.1	96%	0.958	84%	0.835	S	S	*	*				54.2	107.4	92.9	-85.9	-171.3	171.7	168.3	-2.4	115
59	G	35.4	Very low	39.3	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	83%	0.832	S	S	*	*			trans	81.4	157.3	173.3	0	0	0	0	0	113.1
60	I	40.8	Very low	39.2	Very low	158 Å²	158	147.3 Å²	147.3	81%	0.81	83%	0.83	S	S	*	*			cis	-141.3	177.6	10.8	-80.3	156.7	0	0	0	108.5
61	N	44.1	Very low	38.8	Very low	139 Å²	139	144 Å²	144	74%	0.743	82%	0.824	S	S	*	*			trans	79	67.9	172.6	-64.3	-31.4	0	0	0	118.2	L63	N61-L63 PolarHBondContact O-N 2.93Å; N61-L63 VanDerWaalsContact O-N 3.11Å
62	L	46.3	Very low	38.8	Very low	184 Å²	184	147.2 Å²	147.2	96%	0.963	84%	0.836	S	S	*	*			trans	-76.4	27.3	163	-150.6	77.8	0	0	0	113.3
63	L	47.2	Very low	38.7	Very low	150 Å²	150	142 Å²	142	79%	0.785	83%	0.827	S	S	*	*			trans	-126.5	49.4	-151.1	-144.7	79.2	0	0	0	116.1	N61	N61-L63 PolarHBondContact O-N 2.93Å; N61-L63 VanDerWaalsContact O-N 3.11Å
64	R	38.8	Very low	38.7	Very low	244 Å²	244	142 Å²	142	92%	0.921	83%	0.827	S	S	*	*	S	Bend	trans	-155.7	59.8	162.3	-161.1	170.8	-75.7	-112.7	1.2	114.4
65	R	43.8	Very low	38.8	Very low	245 Å²	245	144.5 Å²	144.5	93%	0.925	83%	0.826	S	S	*	*			trans	-156.6	89.9	162.4	-167.5	145.2	70.5	-134.7	8.9	114.6
66	S	33.9	Very low	39.9	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	83%	0.826	S	S	*	*			trans	-164.4	160.5	149.7	-162.6	0	0	0	0	109.8
67	L	38.5	Very low	39.9	Very low	160 Å²	160	138.3 Å²	138.3	84%	0.838	82%	0.815	S	S	*	*			trans	63.4	123.3	-178.2	-42.6	176.2	0	0	0	114.7
68	S	36.3	Very low	40.2	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	82%	0.819	S	S	*	*			cis	-149.2	170.1	-21.2	-63.6	0	0	0	0	105.2
69	D	32.1	Very low	40	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	81%	0.806	S	S	*	*			cis	-154.2	-174	20.7	-168.9	15.5	0	0	0	110.3
70	M	36.1	Very low	40.7	Very low	166 Å²	166	145.8 Å²	145.8	82%	0.818	81%	0.811	S	S	*	*			trans	-22.7	144.8	179.4	-69.7	-65.6	103.3	0	0	119.7
71	G	31.2	Very low	40.7	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	81%	0.807	S	S	*	*			cis	152.9	127.7	-5.8	0	0	0	0	0	114.7
72	S	35.8	Very low	41.1	Very low	130 Å²	130	144.8 Å²	144.8	91%	0.909	81%	0.806	S	S	*	*			trans	-163.5	148	154.2	-167.3	0	0	0	0	109.3
73	G	36.4	Very low	41.2	Very low	77 Å²	77	144.6 Å²	144.6	79%	0.794	80%	0.8	S	S	*	*			trans	-100	170.2	-169	0	0	0	0	0	115.1
74	G	33.9	Very low	41.2	Very low	83 Å²	83	140.5 Å²	140.5	86%	0.856	79%	0.793	S	S	*	*			trans	147.4	87.1	170.2	0	0	0	0	0	115.6
75	T	41.8	Very low	41.8	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	78%	0.782	S	S	*	*			trans	-116	165.8	164.1	53.3	0	0	0	0	109.3
76	P	60.3	Low	41.8	Very low	114 Å²	114	128.3 Å²	128.3	74%	0.74	78%	0.776	S	S	*	*			cis	-134.4	-179.1	-33.8	36.1	-19	0	0	0	113.1
77	A	44	Very low	42.7	Very low	91 Å²	91	131 Å²	131	75%	0.752	78%	0.781	S	S	*	*			trans	59.4	129	148.3	0	0	0	0	0	121.7
78	K	40.8	Very low	43.5	Very low	186 Å²	186	133.8 Å²	133.8	81%	0.809	78%	0.78	S	S	*	*				-161.2	148.8	129	-113.6	169.6	-176.5	178.2	0	113.8
79	Q	42.4	Very low	44	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.692	79%	0.787	S	S	*	*			trans	37.4	137.3	156.3	-75.8	157.8	-105.4	0	0	122.8
80	R	50.3	Low	44.4	Very low	218 Å²	218	134.3 Å²	134.3	82%	0.823	79%	0.786	S	S	*	*			trans	-82.6	148	148.9	-63.7	171.9	164	96.8	-4.6	107.9
81	D	40.4	Very low	44.3	Very low	136 Å²	136	130.5 Å²	130.5	73%	0.727	79%	0.789	S	S	*	*			trans	-135	140.2	154.5	-71	-61.4	0	0	0	108.9
82	I	53.9	Low	44.6	Very low	140 Å²	140	134.1 Å²	134.1	72%	0.718	79%	0.792	S	S	*	*			trans	-129.2	63.1	-167.5	-47.4	179.3	0	0	0	110.3
83	E	47.2	Very low	44.9	Very low	180 Å²	180	135 Å²	135	84%	0.841	78%	0.782	S	S	*	*			trans	-119.1	-12	179.9	-65.1	-166.4	135.2	0	0	114.3	A85	E83-A85 PolarHBondContact O-N 3.19Å
84	G	47.8	Very low	44.9	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	5.1	-179.5	0	0	0	0	0	116.5
85	A	50.6	Low	45	Very low	82 Å²	82	141.5 Å²	141.5	68%	0.678	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-26.6	-168.8	0	0	0	0	0	114.9	E83	E83-A85 PolarHBondContact O-N 3.19Å
86	L	45	Very low	45.2	Very low	151 Å²	151	146.6 Å²	146.6	79%	0.791	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-83.1	-19.7	-169.7	-161.8	64.1	0	0	0	113.8	R88	L86-R88 PolarHBondContact O-N 2.94Å
87	L	51.3	Low	44.2	Very low	164 Å²	164	152.3 Å²	152.3	86%	0.859	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-88.6	14.9	-169.6	-114.7	70.2	0	0	0	115.9
88	R	55.2	Low	44.2	Very low	219 Å²	219	155.3 Å²	155.3	83%	0.826	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-107.3	13.8	178.6	-75.4	-165.3	177	90.2	-1.8	115.1	L86	L86-R88 PolarHBondContact O-N 2.94Å
89	L	48.1	Very low	44.3	Very low	177 Å²	177	153 Å²	153	93%	0.927	79%	0.791	S	S	*	*	S	Bend	trans	-110.3	21.9	-177.9	-148.6	68.9	0	0	0	114.4
90	A	40.7	Very low	44.3	Very low	91 Å²	91	157 Å²	157	75%	0.752	80%	0.799	S	S	*	*	S	Bend	trans	-146.9	107.8	-180	0	0	0	0	0	113.1
91	G	34	Very low	43.9	Very low	86 Å²	86	154.9 Å²	154.9	89%	0.887	80%	0.798	S	S	*	*			trans	70.3	136.5	169.5	0	0	0	0	0	115.2
92	D	37.1	Very low	43.7	Very low	145 Å²	145	156 Å²	156	78%	0.775	81%	0.805	S	S	*	*			cis	-145.7	179.5	41.3	-171.6	17.7	0	0	0	111.7
93	Q	41.3	Very low	43	Very low	147 Å²	147	153.5 Å²	153.5	69%	0.687	80%	0.799	S	S	*	*			trans	-96.2	171.7	-176.5	-60.2	-171.8	-1.1	0	0	114.3
94	R	37.8	Very low	42.9	Very low	211 Å²	211	151.8 Å²	151.8	80%	0.796	80%	0.796	S	S	*	*			trans	81.3	135.8	171.8	-52.4	164.9	-107.4	-110.9	-0.7	112.7
95	A	34.6	Very low	42.8	Very low	87 Å²	87	153.2 Å²	153.2	72%	0.719	80%	0.801	S	S	*	*			cis	-145.6	153.7	22.5	0	0	0	0	0	114.8
96	R	45.6	Very low	42.5	Very low	243 Å²	243	157.2 Å²	157.2	92%	0.917	81%	0.806	S	S	*	*			trans	36.3	106.3	145	-59.8	-71.9	179.3	168.9	-2.2	117.7
97	R	40.4	Very low	42.9	Very low	234 Å²	234	157.6 Å²	157.6	88%	0.883	81%	0.809	S	S	*	*			trans	-135.1	128.5	145.9	-163.8	179.8	-161.1	91.5	4.6	109.2	V99	R97-V99 PolarHBondContact O-N 3.2Å
98	D	44.1	Very low	43.2	Very low	154 Å²	154	157 Å²	157	82%	0.824	81%	0.807	S	S	*	*			trans	-64.6	125.8	171.2	-62.1	-74.7	0	0	0	110.2
99	V	43.3	Very low	43	Very low	138 Å²	138	153.2 Å²	153.2	84%	0.836	80%	0.803	S	S	*	*			trans	-108.8	123.2	153.2	177.9	0	0	0	0	104.5	R97	R97-V99 PolarHBondContact O-N 3.2Å
100	R	42.2	Very low	43.4	Very low	231 Å²	231	150.4 Å²	150.4	87%	0.872	79%	0.789	S	S	*	*			trans	-72.5	146.5	-179.9	-69.7	-178.6	173.8	-172.6	-4	109.2	D102	R100-D102 PolarHBondContact O-N 3.35Å
101	H	40.8	Very low	44.3	Very low	173 Å²	173	150.8 Å²	150.8	80%	0.801	78%	0.781	S	S	*	*			trans	-54	123.6	165.4	-103.3	-92.5	0	0	0	109.2	S103	H101-S103 PolarHBondContact ND1-OG 2.89Å
102	D	36.9	Very low	45.5	Very low	161 Å²	161	155.8 Å²	155.8	86%	0.861	78%	0.779	S	S	*	*			trans	-111	106.3	151	-144.9	-11.2	0	0	0	104.3	R100 D104	R100-D102 PolarHBondContact O-N 3.35Å; D102-D104 PolarHBondContact O-N 3.23Å
103	S	39.5	Very low	46.6	Very low	87 Å²	87	156.1 Å²	156.1	61%	0.608	77%	0.773	S	S	*	*			trans	-100.9	70.2	-172.2	-68.3	0	0	0	0	109.6	H101 A105	H101-S103 PolarHBondContact ND1-OG 2.89Å; S103-A105 PolarHBondContact O-N 3.38Å
104	D	45	Very low	47.8	Very low	144 Å²	144	154.5 Å²	154.5	77%	0.77	78%	0.776	S	S	*	*			trans	-72.2	107.3	162.8	-162.2	14.7	0	0	0	107.8	D102 E106	D102-D104 PolarHBondContact O-N 3.23Å; D104-E106 PolarHBondContact O-N 3.37Å
105	A	44.6	Very low	48.8	Very low	92 Å²	92	149.1 Å²	149.1	76%	0.76	78%	0.776	S	S	*	*			trans	-100.3	67.4	-170	0	0	0	0	0	110.2	S103	S103-A105 PolarHBondContact O-N 3.38Å
106	E	45.3	Very low	50	Low	166 Å²	166	152.6 Å²	152.6	78%	0.776	78%	0.782	S	S	*	*			trans	-57.1	137.5	170.4	-80.4	-81.4	95.8	0	0	110.9	D104 D108	D104-E106 PolarHBondContact O-N 3.37Å; E106-D108 PolarHBondContact O-N 3.11Å
107	D	54	Low	50.3	Low	159 Å²	159	150.2 Å²	150.2	85%	0.85	78%	0.781	S	S	*	*			trans	-88	88.4	-169.9	-177.6	31.3	0	0	0	111.2
108	D	57.5	Low	51.2	Low	152 Å²	152	144 Å²	144	81%	0.813	77%	0.773	S	S	*	*			trans	-135.8	70.5	-178.6	-160.3	9.5	0	0	0	113.2	E106	E106-D108 PolarHBondContact O-N 3.11Å
109	D	49.7	Very low	52.2	Low	140 Å²	140	141.9 Å²	141.9	75%	0.749	77%	0.771	S	S	*	*			trans	-154	49.8	159.6	-132.1	-14.1	0	0	0	111.5	V111	D109-V111 PolarHBondContact O-N 3.48Å; D109-V111 WeakPolarHBondContact OD1-CG2 3.33Å
110	D	56.2	Low	52.6	Low	117 Å²	117	141.5 Å²	141.5	63%	0.626	77%	0.768	S	S	*	*			trans	-71.2	55	179.8	179.1	26.8	0	0	0	113.1	K113	D110-K113 VanDerWaalsContact OD1-CE 3.23Å; D110-K113 WeakPolarHBondContact OD1-CE 3.31Å; D110-K113 IonicContact OD1-NZ 2.65Å; D110-K113 PolarHBondContact OD1-NZ 2.8Å; D110-K113 IonicContact OD2-NZ 2.85Å; D110-K113 PolarHBondContact OD2-NZ 3.39Å
111	V	59.6	Low	53.1	Low	99 Å²	99	136.1 Å²	136.1	60%	0.6	76%	0.761	S	S	*	*			trans	-99.1	137.3	-171.9	-164.8	0	0	0	0	111.4	D109	D109-V111 PolarHBondContact O-N 3.48Å; D109-V111 WeakPolarHBondContact OD1-CG2 3.33Å
112	K	60.6	Low	53.5	Low	192 Å²	192	132.1 Å²	132.1	84%	0.835	76%	0.758	S	S	*	*			trans	87.9	53.7	176.3	-50.7	177.5	-173.9	169.6	0	117.1	P114	K112-P114 WeakPolarHBondContact O-CD 3.43Å
113	K	59.1	Low	54.5	Low	151 Å²	151	130.5 Å²	130.5	66%	0.657	75%	0.754	S	S	*	*			trans	-74.2	115.6	146.9	-71.9	150.4	-169.5	165.1	0	108.5	D110	D110-K113 VanDerWaalsContact OD1-CE 3.23Å; D110-K113 WeakPolarHBondContact OD1-CE 3.31Å; D110-K113 IonicContact OD1-NZ 2.65Å; D110-K113 PolarHBondContact OD1-NZ 2.8Å; D110-K113 IonicContact OD2-NZ 2.85Å; D110-K113 PolarHBondContact OD2-NZ 3.39Å
114	P	66.4	Low	55.3	Low	113 Å²	113	132.1 Å²	132.1	73%	0.734	77%	0.765	S	S	*	*			trans	-71.8	135.5	-177	28.5	-34.1	0	0	0	111.4	K112 L116	K112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-L116 PolarHBondContact O-N 3.32Å; P114-L116 VanDerWaalsContact O-N 3.08Å
115	A	59.8	Low	56.2	Low	98 Å²	98	134 Å²	134	81%	0.81	77%	0.766	S	S	*	*			trans	-71.9	101.9	-179.3	0	0	0	0	0	111.4	Q117	A115-Q117 PolarHBondContact O-N 3.1Å
116	L	60.2	Low	57	Low	160 Å²	160	139 Å²	139	84%	0.838	77%	0.774	S	S	*	*			trans	-68.1	112.2	173	-68.7	173.3	0	0	0	110.3	P114 S118	P114-L116 PolarHBondContact O-N 3.32Å; P114-L116 VanDerWaalsContact O-N 3.08Å; L116-S118 PolarHBondContact O-N 2.95Å
117	Q	51.7	Low	57.9	Low	194 Å²	194	137.7 Å²	137.7	91%	0.907	76%	0.762	S	S	*	*			trans	-73.7	91.4	170.5	-69.6	-176.9	-17.9	0	0	109.9	A115 S119	A115-Q117 PolarHBondContact O-N 3.1Å; Q117-S119 PolarHBondContact O-N 3.39Å
118	S	58.7	Low	58.9	Low	102 Å²	102	134.4 Å²	134.4	71%	0.713	75%	0.748	S	S	*	*			trans	-76.5	107.7	176.1	44.3	0	0	0	0	111.5	L116 V120	L116-S118 PolarHBondContact O-N 2.95Å; S118-V120 PolarHBondContact O-N 3.41Å; S118-V120 VanDerWaalsContact O-N 3.11Å
119	S	65.9	Low	59.4	Low	110 Å²	110	137.4 Å²	137.4	77%	0.769	75%	0.748	S	S	*	*			trans	-73	98.6	171.1	43.1	0	0	0	0	110.8	Q117 V121	Q117-S119 PolarHBondContact O-N 3.39Å; S119-V121 PolarHBondContact O-N 3.35Å
120	V	50.2	Low	60.4	Low	130 Å²	130	140.8 Å²	140.8	79%	0.788	75%	0.75	S	S	*	*			trans	-74	95.1	178	-178.4	0	0	0	0	110.3	S118 A122	S118-V120 PolarHBondContact O-N 3.41Å; S118-V120 VanDerWaalsContact O-N 3.11Å; V120-A122 PolarHBondContact O-N 2.67Å
121	V	52.8	Low	61.2	Low	118 Å²	118	138.5 Å²	138.5	72%	0.715	74%	0.738	S	S	*	*			trans	-78.9	109.2	165.3	179.3	0	0	0	0	108.5	S119 T123	S119-V121 PolarHBondContact O-N 3.35Å; V121-T123 PolarHBondContact O-N 2.93Å
122	A	49.2	Very low	61.7	Low	89 Å²	89	137.7 Å²	137.7	74%	0.736	73%	0.73	S	S	*	*			trans	-72.6	94.3	-179.5	0	0	0	0	0	111.7	V120 S124	V120-A122 PolarHBondContact O-N 2.67Å; A122-S124 PolarHBondContact O-N 3.37Å
123	T	59.4	Low	62.1	Low	128 Å²	128	132.7 Å²	132.7	79%	0.785	71%	0.711	S	S	*	*			trans	-79.2	94.2	172.5	43.4	0	0	0	0	110.7	V121 K125	V121-T123 PolarHBondContact O-N 2.93Å; T123-K125 VanDerWaalsContact C-N 3.29Å; T123-K125 PolarHBondContact O-N 3.39Å
124	S	56.4	Low	62.5	Low	120 Å²	120	131.3 Å²	131.3	84%	0.839	71%	0.707	S	S	*	*			trans	-70.8	73.2	-178.7	45.6	0	0	0	0	113.5	A122	A122-S124 PolarHBondContact O-N 3.37Å
125	K	61.9	Low	62.5	Low	183 Å²	183	129.8 Å²	129.8	80%	0.796	69%	0.693	S	S	*	*			trans	-153.9	100.1	167.8	-115.2	163.8	-173.6	170.9	0	112.3	T123 R127	T123-K125 VanDerWaalsContact C-N 3.29Å; T123-K125 PolarHBondContact O-N 3.39Å; K125-R127 PolarHBondContact O-N 3.01Å
126	E	61.4	Low	62.7	Low	197 Å²	197	130.6 Å²	130.6	92%	0.921	68%	0.68	S	S	*	*			trans	-72.5	70.1	170.1	-64.8	-168.6	134.5	0	0	111.6	T128	E126-T128 PolarHBondContact O-N 2.81Å
127	R	64.3	Low	62.9	Low	139 Å²	139	125.4 Å²	125.4	53%	0.525	66%	0.655	S	S	.	*			trans	-67.2	114.6	159.6	-83.6	-176.4	155.9	-146.3	-16.1	107.8	K125 D135	K125-R127 PolarHBondContact O-N 3.01Å; R127-D135 IonicContact CZ-OD2 3.39Å; R127-D135 IonicContact NH1-OD2 2.66Å; R127-D135 PolarHBondContact NH1-OD2 3.18Å; R127-D135 IonicContact NH2-OD2 3.89Å; R127-D135 PolarHBondContact NH2-OD2 3.1Å
128	T	76.1	Confident	63.5	Low	91 Å²	91	122.7 Å²	122.7	56%	0.558	64%	0.644	S	S	*	*			trans	-61.4	149.9	-176.9	76.2	0	0	0	0	110.6	E126 R130 D131 L132	E126-T128 PolarHBondContact O-N 2.81Å; T128-R130 PolarHBondContact O-N 2.77Å; T128-D131 VanDerWaalsContact O-CB 3.27Å; T128-D131 WeakPolarHBondContact O-CB 3.44Å; T128-D131 PolarHBondContact O-N 3.47Å; T128-D131 PolarHBondContact OG1-N 3.33Å; T128-L132 PolarHBondContact O-N 3.24Å
129	R	67.7	Low	64.4	Low	215 Å²	215	123 Å²	123	81%	0.811	64%	0.638	S	S	*	*	H	α-helix	trans	-56.1	-25.9	-178.6	-174.8	177.1	174.6	-162.1	-0.9	113.4	I133	R129-I133 HydrophobicContact CG-CD1 4.12Å; R129-I133 VanDerWaalsContact O-CD1 3.29Å; R129-I133 WeakPolarHBondContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.43Å; R129-I133 PolarHBondContact O-N 3.24Å
130	R	71.4	Confident	65	Low	211 Å²	211	125.3 Å²	125.3	80%	0.796	64%	0.636	S	S	*	*	H	α-helix	trans	-72.6	-46.3	175	-67.8	-174	175.9	98.4	-1.2	111.7	T128 L132 I133 Q134	T128-R130 PolarHBondContact O-N 2.77Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.34Å; R130-I133 PolarHBondContact O-N 3.32Å; R130-I133 VanDerWaalsContact O-N 3.13Å; R130-Q134 WeakPolarHBondContact O-CB 3.34Å; R130-Q134 PolarHBondContact O-N 2.87Å
131	D	71.5	Confident	66.4	Low	68 Å²	68	127.4 Å²	127.4	36%	0.364	64%	0.635	S	S	.	*	H	α-helix	trans	-54.9	-48.4	178.1	-157.5	50.6	0	0	0	111.2	T128 I133 Q134 D135	T128-D131 VanDerWaalsContact O-CB 3.27Å; T128-D131 WeakPolarHBondContact O-CB 3.44Å; T128-D131 PolarHBondContact O-N 3.47Å; T128-D131 PolarHBondContact OG1-N 3.33Å; D131-I133 VanDerWaalsContact C-N 3.35Å; D131-I133 PolarHBondContact O-N 2.99Å; D131-Q134 WeakPolarHBondContact O-CB 3.33Å; D131-Q134 PolarHBondContact O-N 2.99Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; D131-D135 PolarHBondContact O-N 2.81Å
132	L	70.1	Confident	67.8	Low	82 Å²	82	122.5 Å²	122.5	43%	0.429	61%	0.608	S	S	.	*	H	α-helix	trans	-69	-29.2	179.1	-161.6	71.4	0	0	0	113.7	T128 R130 Q136	T128-L132 PolarHBondContact O-N 3.24Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.34Å; L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.13Å; L132-Q136 PolarHBondContact O-N 3.05Å
133	I	68.9	Low	69.4	Low	88 Å²	88	123.6 Å²	123.6	45%	0.451	60%	0.596	S	S	.	*	H	α-helix	trans	-73.5	-36.4	172.4	-71.9	168.4	0	0	0	110.3	R129 R130 D131 Q136 T137	R129-I133 HydrophobicContact CG-CD1 4.12Å; R129-I133 VanDerWaalsContact O-CD1 3.29Å; R129-I133 WeakPolarHBondContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.43Å; R129-I133 PolarHBondContact O-N 3.24Å; R130-I133 PolarHBondContact O-N 3.32Å; R130-I133 VanDerWaalsContact O-N 3.13Å; D131-I133 VanDerWaalsContact C-N 3.35Å; D131-I133 PolarHBondContact O-N 2.99Å; I133-Q136 PolarHBondContact O-N 2.84Å; I133-T137 HydrophobicContact CG2-CG2 4.43Å; I133-T137 WeakPolarHBondContact O-CB 3.26Å; I133-T137 VanDerWaalsContact O-CG2 3.32Å; I133-T137 WeakPolarHBondContact O-CG2 3.45Å; I133-T137 PolarHBondContact O-N 3.47Å; I133-T137 VanDerWaalsContact O-N 3.09Å; I133-T137 PolarHBondContact O-OG1 3.49Å
134	Q	68.8	Low	70.5	Confident	121 Å²	121	121.6 Å²	121.6	57%	0.565	58%	0.578	S	S	*	*	H	α-helix	trans	-66.8	-48.2	178.7	-159.9	159	-7.5	0	0	110.5	R130 D131 Q136 T137 M138	R130-Q134 WeakPolarHBondContact O-CB 3.34Å; R130-Q134 PolarHBondContact O-N 2.87Å; D131-Q134 WeakPolarHBondContact O-CB 3.33Å; D131-Q134 PolarHBondContact O-N 2.99Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 2.91Å; Q134-T137 PolarHBondContact O-N 3.21Å; Q134-T137 PolarHBondContact O-OG1 3.03Å; Q134-M138 WeakPolarHBondContact O-CG 3.45Å; Q134-M138 PolarHBondContact O-N 3.41Å
135	D	65.1	Low	71.9	Confident	82 Å²	82	124.2 Å²	124.2	44%	0.439	57%	0.57	S	S	.	*	H	α-helix	trans	-51.1	-47.3	170.2	-87.5	-1.2	0	0	0	112.2	R127 D131 T137	R127-D135 IonicContact CZ-OD2 3.39Å; R127-D135 IonicContact NH1-OD2 2.66Å; R127-D135 PolarHBondContact NH1-OD2 3.18Å; R127-D135 IonicContact NH2-OD2 3.89Å; R127-D135 PolarHBondContact NH2-OD2 3.1Å; D131-D135 PolarHBondContact O-N 2.81Å; D135-T137 PolarHBondContact O-N 2.95Å
136	Q	65.9	Low	73	Confident	115 Å²	115	118.8 Å²	118.8	54%	0.537	55%	0.55	S	S	.	.	H	α-helix	trans	-72.5	-10.6	179.6	-72.8	-178.4	17.5	0	0	114.9	L132 I133 Q134	L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.13Å; L132-Q136 PolarHBondContact O-N 3.05Å; I133-Q136 PolarHBondContact O-N 2.84Å; Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 2.91Å
137	T	63.1	Low	74.3	Confident	50 Å²	50	118 Å²	118	31%	0.307	54%	0.538	S	S	.	.	H	α-helix	trans	-116.7	2.2	-175.3	53.7	0	0	0	0	114.6	I133 Q134 D135 K143	I133-T137 HydrophobicContact CG2-CG2 4.43Å; I133-T137 WeakPolarHBondContact O-CB 3.26Å; I133-T137 VanDerWaalsContact O-CG2 3.32Å; I133-T137 WeakPolarHBondContact O-CG2 3.45Å; I133-T137 PolarHBondContact O-N 3.47Å; I133-T137 VanDerWaalsContact O-N 3.09Å; I133-T137 PolarHBondContact O-OG1 3.49Å; Q134-T137 PolarHBondContact O-N 3.21Å; Q134-T137 PolarHBondContact O-OG1 3.03Å; D135-T137 PolarHBondContact O-N 2.95Å; T137-K143 WeakPolarHBondContact O-CE 3.48Å; T137-K143 WeakPolarHBondContact O-CG 3.38Å
138	M	64.4	Low	75.4	Confident	137 Å²	137	119.6 Å²	119.6	68%	0.675	54%	0.544	S	S	*	.	H	α-helix	trans	-70.6	-43.1	169	-67.4	-55.8	-73.5	0	0	111.8	Q134 E140 K143	Q134-M138 WeakPolarHBondContact O-CG 3.45Å; Q134-M138 PolarHBondContact O-N 3.41Å; M138-E140 PolarHBondContact O-N 3.4Å; M138-K143 WeakPolarHBondContact O-CE 3.17Å; M138-K143 PolarHBondContact O-NZ 2.8Å
139	D	78.1	Confident	75.9	Confident	110 Å²	110	120.4 Å²	120.4	59%	0.588	54%	0.543	S	S	*	.	S	Bend	trans	-67.5	125.1	-173.8	-136	13.5	0	0	0	112.3	K141 G142 K143	D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.45Å; D139-G142 CarbonylContact O-C 3.52Å; D139-G142 VanDerWaalsContact O-CA 3.3Å; D139-G142 WeakPolarHBondContact O-CA 3.36Å; D139-G142 PolarHBondContact O-N 3.37Å; D139-K143 PolarHBondContact O-N 2.87Å
140	E	78.8	Confident	76.9	Confident	158 Å²	158	116.4 Å²	116.4	74%	0.738	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-35.2	-176.1	-174	172.3	-152.3	0	0	112.6	M138 G142 K143 Q144	M138-E140 PolarHBondContact O-N 3.4Å; E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 3.06Å; E140-K143 PolarHBondContact O-N 3.29Å; E140-Q144 WeakPolarHBondContact O-CB 3.43Å; E140-Q144 PolarHBondContact O-N 3.02Å
141	K	79.6	Confident	77.9	Confident	173 Å²	173	108.3 Å²	108.3	75%	0.752	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-36.5	171	-65.7	174.8	-177.2	171.7	0	111.3	D139 Q144 R145	D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.45Å; K141-Q144 PolarHBondContact O-N 3.14Å; K141-R145 WeakPolarHBondContact O-CB 3.45Å; K141-R145 PolarHBondContact O-N 3.43Å
142	G	81.8	Confident	78.8	Confident	16 Å²	16	110.6 Å²	110.6	17%	0.165	53%	0.526	C	S	.	.	H	α-helix	trans	-63.8	-48.5	171.5	0	0	0	0	0	112.3	D139 E140 Q144 R145 N146	D139-G142 CarbonylContact O-C 3.52Å; D139-G142 VanDerWaalsContact O-CA 3.3Å; D139-G142 WeakPolarHBondContact O-CA 3.36Å; D139-G142 PolarHBondContact O-N 3.37Å; E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 3.06Å; G142-Q144 PolarHBondContact O-N 2.92Å; G142-R145 PolarHBondContact O-N 3.3Å; G142-N146 WeakPolarHBondContact O-CB 3.34Å; G142-N146 PolarHBondContact O-N 3.47Å
143	K	82.6	Confident	79.8	Confident	111 Å²	111	112 Å²	112	48%	0.483	53%	0.533	S	S	.	.	H	α-helix	trans	-57.1	-45.3	173.1	-64.7	174.8	-170.5	169.4	0	111.7	T137 M138 D139 E140 N146 R147	T137-K143 WeakPolarHBondContact O-CE 3.48Å; T137-K143 WeakPolarHBondContact O-CG 3.38Å; M138-K143 WeakPolarHBondContact O-CE 3.17Å; M138-K143 PolarHBondContact O-NZ 2.8Å; D139-K143 PolarHBondContact O-N 2.87Å; E140-K143 PolarHBondContact O-N 3.29Å; K143-N146 PolarHBondContact O-N 2.98Å; K143-R147 WeakPolarHBondContact O-CB 3.48Å; K143-R147 PolarHBondContact O-N 2.81Å
144	Q	83.3	Confident	80.7	Confident	86 Å²	86	111.9 Å²	111.9	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-69.5	-38.2	-179.8	-159.1	-173.7	49.6	0	0	111.9	E140 K141 G142 R147 R148	E140-Q144 WeakPolarHBondContact O-CB 3.43Å; E140-Q144 PolarHBondContact O-N 3.02Å; K141-Q144 PolarHBondContact O-N 3.14Å; G142-Q144 PolarHBondContact O-N 2.92Å; Q144-R147 PolarHBondContact O-N 2.97Å; Q144-R148 WeakPolarHBondContact O-CG 3.35Å; Q144-R148 PolarHBondContact O-N 2.97Å
145	R	85.7	Confident	81.8	Confident	175 Å²	175	107.5 Å²	107.5	66%	0.66	52%	0.519	S	S	*	.	H	α-helix	trans	-60.7	-51.2	170.4	-178.3	-178.8	178.4	-169.8	-0.7	110.7	K141 G142 R147 R148 M149	K141-R145 WeakPolarHBondContact O-CB 3.45Å; K141-R145 PolarHBondContact O-N 3.43Å; G142-R145 PolarHBondContact O-N 3.3Å; R145-R147 VanDerWaalsContact C-N 3.31Å; R145-R147 PolarHBondContact O-N 3.28Å; R145-R148 PolarHBondContact O-N 2.87Å; R145-R148 VanDerWaalsContact O-N 3.1Å; R145-M149 HydrophobicContact CG-CG 4.24Å; R145-M149 WeakPolarHBondContact O-CG 3.38Å; R145-M149 PolarHBondContact O-N 2.96Å
146	N	85.5	Confident	82.9	Confident	70 Å²	70	106 Å²	106	37%	0.374	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-36.7	179.8	-73.3	-7.6	0	0	0	111.9	G142 K143 M149 F150	G142-N146 WeakPolarHBondContact O-CB 3.34Å; G142-N146 PolarHBondContact O-N 3.47Å; K143-N146 PolarHBondContact O-N 2.98Å; N146-M149 PolarHBondContact O-N 2.59Å; N146-F150 WeakPolarHBondContact O-CB 3.4Å; N146-F150 PolarHBondContact O-N 2.97Å
147	R	87.8	Confident	84	Confident	180 Å²	180	105.8 Å²	105.8	68%	0.679	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-38.6	172.7	-168.7	166.9	75.7	-142.9	9.4	112.6	K143 Q144 R145 G151	K143-R147 WeakPolarHBondContact O-CB 3.48Å; K143-R147 PolarHBondContact O-N 2.81Å; Q144-R147 PolarHBondContact O-N 2.97Å; R145-R147 VanDerWaalsContact C-N 3.31Å; R145-R147 PolarHBondContact O-N 3.28Å; R147-G151 PolarHBondContact O-N 3.31Å
148	R	88.1	Confident	85.2	Confident	172 Å²	172	108.9 Å²	108.9	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-68.1	-45.4	173.3	-71.7	174.9	-173.9	178.7	5.4	111.9	Q144 R145 G151 L152	Q144-R148 WeakPolarHBondContact O-CG 3.35Å; Q144-R148 PolarHBondContact O-N 2.97Å; R145-R148 PolarHBondContact O-N 2.87Å; R145-R148 VanDerWaalsContact O-N 3.1Å; R148-G151 PolarHBondContact O-N 2.9Å; R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 PolarHBondContact O-N 2.95Å
149	M	86.7	Confident	86.2	Confident	109 Å²	109	108.1 Å²	108.1	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-44.6	177.9	-67	-59.5	-61.9	0	0	111.8	R145 N146 L152 L153	R145-M149 HydrophobicContact CG-CG 4.24Å; R145-M149 WeakPolarHBondContact O-CG 3.38Å; R145-M149 PolarHBondContact O-N 2.96Å; N146-M149 PolarHBondContact O-N 2.59Å; M149-L152 PolarHBondContact O-N 3.45Å; M149-L153 VanDerWaalsContact O-CB 3.3Å; M149-L153 WeakPolarHBondContact O-CB 3.18Å; M149-L153 PolarHBondContact O-N 3.4Å
150	F	88	Confident	86.6	Confident	130 Å²	130	109.5 Å²	109.5	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-69.5	-38.9	176.9	-174.3	-99.2	0	0	0	112	N146 L153 M154	N146-F150 WeakPolarHBondContact O-CB 3.4Å; N146-F150 PolarHBondContact O-N 2.97Å; F150-L153 PolarHBondContact O-N 3.01Å; F150-M154 HydrophobicContact CE1-CE 3.78Å; F150-M154 HydrophobicContact CE2-CE 4.15Å; F150-M154 HydrophobicContact CZ-CE 3.4Å; F150-M154 VanDerWaalsContact CZ-CE 3.4Å; F150-M154 VanDerWaalsContact O-CB 3.24Å; F150-M154 WeakPolarHBondContact O-CB 3.41Å; F150-M154 PolarHBondContact O-N 3.13Å
151	G	91.3	Very high	87	Confident	42 Å²	42	109 Å²	109	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.1	0	0	0	0	0	112.6	R147 R148 G155	R147-G151 PolarHBondContact O-N 3.31Å; R148-G151 PolarHBondContact O-N 2.9Å; G151-G155 PolarHBondContact O-N 2.89Å
152	L	91.3	Very high	87.2	Confident	115 Å²	115	105.8 Å²	105.8	60%	0.602	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-44.8	173.8	-178.6	62	0	0	0	111.6	R148 M149 G155 T156	R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 PolarHBondContact O-N 2.95Å; M149-L152 PolarHBondContact O-N 3.45Å; L152-G155 PolarHBondContact O-N 2.75Å; L152-T156 PolarHBondContact O-N 3.2Å; L152-T156 PolarHBondContact O-OG1 3.43Å
153	L	90.6	Very high	87.2	Confident	112 Å²	112	110.2 Å²	110.2	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-36.4	179.1	-176.9	61.4	0	0	0	112.7	M149 F150 T156 L157	M149-L153 VanDerWaalsContact O-CB 3.3Å; M149-L153 WeakPolarHBondContact O-CB 3.18Å; M149-L153 PolarHBondContact O-N 3.4Å; F150-L153 PolarHBondContact O-N 3.01Å; L153-T156 WeakPolarHBondContact CA-OG1 3.36Å; L153-T156 PolarHBondContact O-OG1 3Å; L153-T156 VanDerWaalsContact O-OG1 3.11Å; L153-L157 WeakPolarHBondContact O-CB 3.16Å; L153-L157 PolarHBondContact O-N 2.84Å
154	M	89.1	Confident	86.9	Confident	85 Å²	85	107.6 Å²	107.6	42%	0.419	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-40.8	172.5	-169.9	61.5	64.2	0	0	110.5	F150 L157 Q158	F150-M154 HydrophobicContact CE1-CE 3.78Å; F150-M154 HydrophobicContact CE2-CE 4.15Å; F150-M154 HydrophobicContact CZ-CE 3.4Å; F150-M154 VanDerWaalsContact CZ-CE 3.4Å; F150-M154 VanDerWaalsContact O-CB 3.24Å; F150-M154 WeakPolarHBondContact O-CB 3.41Å; F150-M154 PolarHBondContact O-N 3.13Å; M154-L157 PolarHBondContact O-N 3.31Å; M154-Q158 VanDerWaalsContact O-CB 3.25Å; M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 3.15Å
155	G	91.3	Very high	86.7	Confident	29 Å²	29	108.1 Å²	108.1	30%	0.299	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-42.2	174.1	0	0	0	0	0	113.1	G151 L152 K159	G151-G155 PolarHBondContact O-N 2.89Å; L152-G155 PolarHBondContact O-N 2.75Å; G155-K159 WeakPolarHBondContact O-CB 3.4Å; G155-K159 VanDerWaalsContact O-CG 3.32Å; G155-K159 WeakPolarHBondContact O-CG 3.45Å; G155-K159 PolarHBondContact O-N 2.94Å
156	T	87.4	Confident	86.2	Confident	52 Å²	52	102.7 Å²	102.7	32%	0.319	51%	0.506	S	S	.	.	H	α-helix	trans	-71	-38.9	174.3	55	0	0	0	0	111.9	L152 L153 Q158 K159 F160	L152-T156 PolarHBondContact O-N 3.2Å; L152-T156 PolarHBondContact O-OG1 3.43Å; L153-T156 WeakPolarHBondContact CA-OG1 3.36Å; L153-T156 PolarHBondContact O-OG1 3Å; L153-T156 VanDerWaalsContact O-OG1 3.11Å; T156-Q158 VanDerWaalsContact C-N 3.34Å; T156-Q158 PolarHBondContact O-N 3.25Å; T156-K159 WeakPolarHBondContact O-CB 3.46Å; T156-K159 PolarHBondContact O-N 3.31Å; T156-F160 WeakPolarHBondContact O-CD2 3.46Å; T156-F160 PolarHBondContact O-N 3.36Å
157	L	88.9	Confident	85.8	Confident	109 Å²	109	102 Å²	102	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-63.6	-39	175	-174.1	65.2	0	0	0	112.1	L153 M154 F160 K161	L153-L157 WeakPolarHBondContact O-CB 3.16Å; L153-L157 PolarHBondContact O-N 2.84Å; M154-L157 PolarHBondContact O-N 3.31Å; L157-F160 PolarHBondContact O-N 2.95Å; L157-K161 PolarHBondContact O-N 3.25Å
158	Q	88.1	Confident	85.5	Confident	115 Å²	115	95.6 Å²	95.6	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-39.6	174.2	-175.1	171.3	-3.4	0	0	111.6	M154 T156 K161 Q162	M154-Q158 VanDerWaalsContact O-CB 3.25Å; M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 3.15Å; T156-Q158 VanDerWaalsContact C-N 3.34Å; T156-Q158 PolarHBondContact O-N 3.25Å; Q158-K161 PolarHBondContact O-N 3.35Å; Q158-Q162 WeakPolarHBondContact O-CG 3.48Å; Q158-Q162 PolarHBondContact O-N 3Å
159	K	86.9	Confident	85.5	Confident	122 Å²	122	91.3 Å²	91.3	53%	0.53	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-50.4	169.9	-77.3	-178.1	-179.5	-168	0	111.7	G155 T156 K161 Q162 E163	G155-K159 WeakPolarHBondContact O-CB 3.4Å; G155-K159 VanDerWaalsContact O-CG 3.32Å; G155-K159 WeakPolarHBondContact O-CG 3.45Å; G155-K159 PolarHBondContact O-N 2.94Å; T156-K159 WeakPolarHBondContact O-CB 3.46Å; T156-K159 PolarHBondContact O-N 3.31Å; K159-K161 PolarHBondContact O-N 2.77Å; K159-Q162 CarbonylContact O-C 3.55Å; K159-Q162 WeakPolarHBondContact O-CA 3.21Å; K159-Q162 PolarHBondContact O-N 3.08Å; K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.42Å; K159-E163 PolarHBondContact O-N 3.44Å
160	F	85.3	Confident	85.5	Confident	139 Å²	139	92.4 Å²	92.4	61%	0.61	48%	0.479	S	S	*	.	H	α-helix	trans	-55.1	-38.4	175.4	-83.8	-63.9	0	0	0	112.5	T156 L157 S164	T156-F160 WeakPolarHBondContact O-CD2 3.46Å; T156-F160 PolarHBondContact O-N 3.36Å; L157-F160 PolarHBondContact O-N 2.95Å; F160-S164 VanDerWaalsContact O-CB 3.25Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 3.12Å; F160-S164 PolarHBondContact O-OG 2.81Å
161	K	88	Confident	85.4	Confident	146 Å²	146	91.3 Å²	91.3	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-69.5	-33.7	175.2	-173.6	178	178.9	-178.2	0	113.4	L157 Q158 K159 S164 N165	L157-K161 PolarHBondContact O-N 3.25Å; Q158-K161 PolarHBondContact O-N 3.35Å; K159-K161 PolarHBondContact O-N 2.77Å; K161-S164 WeakPolarHBondContact CA-OG 3.45Å; K161-S164 PolarHBondContact O-OG 3.41Å; K161-N165 VanDerWaalsContact O-CG 3.25Å; K161-N165 PolarHBondContact O-N 2.91Å; K161-N165 PolarHBondContact O-OD1 2.91Å
162	Q	83.8	Confident	85.3	Confident	107 Å²	107	95.8 Å²	95.8	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-74.7	-44.3	173.9	-72.2	172.3	-16.4	0	0	110.9	Q158 K159 N165 V166	Q158-Q162 WeakPolarHBondContact O-CG 3.48Å; Q158-Q162 PolarHBondContact O-N 3Å; K159-Q162 CarbonylContact O-C 3.55Å; K159-Q162 WeakPolarHBondContact O-CA 3.21Å; K159-Q162 PolarHBondContact O-N 3.08Å; Q162-N165 PolarHBondContact O-N 3.28Å; Q162-V166 WeakPolarHBondContact O-CB 3.48Å; Q162-V166 WeakPolarHBondContact O-CG2 3.26Å; Q162-V166 PolarHBondContact O-N 2.73Å
163	E	82.4	Confident	85.2	Confident	109 Å²	109	97.5 Å²	97.5	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-33.4	178.2	-70.6	167.3	-157.2	0	0	112.1	K159 S167	K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.42Å; K159-E163 PolarHBondContact O-N 3.44Å; E163-S167 WeakPolarHBondContact O-CA 3.31Å; E163-S167 WeakPolarHBondContact O-CB 3.47Å; E163-S167 PolarHBondContact O-N 3Å; E163-S167 PolarHBondContact O-OG 3.39Å; E163-S167 VanDerWaalsContact O-OG 3.06Å
164	S	76.1	Confident	85.2	Confident	56 Å²	56	99.8 Å²	99.8	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-36.7	171.4	65.7	0	0	0	0	112.4	F160 K161 S167 S168	F160-S164 VanDerWaalsContact O-CB 3.25Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 3.12Å; F160-S164 PolarHBondContact O-OG 2.81Å; K161-S164 WeakPolarHBondContact CA-OG 3.45Å; K161-S164 PolarHBondContact O-OG 3.41Å; S164-S167 WeakPolarHBondContact CA-OG 3.35Å; S164-S167 PolarHBondContact O-OG 3.33Å; S164-S167 VanDerWaalsContact O-OG 3.09Å; S164-S168 WeakPolarHBondContact O-CB 3.35Å; S164-S168 PolarHBondContact O-N 2.94Å
165	N	77.5	Confident	85.1	Confident	96 Å²	96	98.6 Å²	98.6	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-71.1	-47.5	176.1	-71.5	-2.5	0	0	0	110.4	K161 Q162 S167 S168 E169	K161-N165 VanDerWaalsContact O-CG 3.25Å; K161-N165 PolarHBondContact O-N 2.91Å; K161-N165 PolarHBondContact O-OD1 2.91Å; Q162-N165 PolarHBondContact O-N 3.28Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 2.98Å; N165-S168 CarbonylContact O-C 3.56Å; N165-S168 PolarHBondContact O-N 3.41Å; N165-S168 PolarHBondContact O-OG 2.83Å; N165-E169 PolarHBondContact O-N 3.44Å
166	V	77.1	Confident	85.2	Confident	61 Å²	61	101.6 Å²	101.6	37%	0.37	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-31.9	177.6	170.7	0	0	0	0	112.1	Q162 E169 K170	Q162-V166 WeakPolarHBondContact O-CB 3.48Å; Q162-V166 WeakPolarHBondContact O-CG2 3.26Å; Q162-V166 PolarHBondContact O-N 2.73Å; V166-E169 PolarHBondContact O-N 3.26Å; V166-K170 HydrophobicContact CG1-CD 4.02Å; V166-K170 HydrophobicContact CG1-CG 4.5Å; V166-K170 WeakPolarHBondContact O-CB 3.23Å; V166-K170 VanDerWaalsContact O-CG 3.23Å; V166-K170 WeakPolarHBondContact O-CG 3.36Å; V166-K170 PolarHBondContact O-N 2.99Å
167	S	76.4	Confident	85.4	Confident	55 Å²	55	103.9 Å²	103.9	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-71.1	-41.5	170.9	71.9	0	0	0	0	111	E163 S164 N165 E169 K170 L171	E163-S167 WeakPolarHBondContact O-CA 3.31Å; E163-S167 WeakPolarHBondContact O-CB 3.47Å; E163-S167 PolarHBondContact O-N 3Å; E163-S167 PolarHBondContact O-OG 3.39Å; E163-S167 VanDerWaalsContact O-OG 3.06Å; S164-S167 WeakPolarHBondContact CA-OG 3.35Å; S164-S167 PolarHBondContact O-OG 3.33Å; S164-S167 VanDerWaalsContact O-OG 3.09Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 2.98Å; S167-E169 PolarHBondContact O-N 2.83Å; S167-K170 PolarHBondContact O-N 3.5Å; S167-L171 VanDerWaalsContact O-CB 3.3Å; S167-L171 WeakPolarHBondContact O-CB 3.44Å; S167-L171 WeakPolarHBondContact O-CG 3.49Å; S167-L171 PolarHBondContact O-N 2.96Å
168	S	81.2	Confident	85.5	Confident	47 Å²	47	104.2 Å²	104.2	33%	0.329	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-34.7	172.2	85.1	0	0	0	0	112.2	S164 N165 K172	S164-S168 WeakPolarHBondContact O-CB 3.35Å; S164-S168 PolarHBondContact O-N 2.94Å; N165-S168 CarbonylContact O-C 3.56Å; N165-S168 PolarHBondContact O-N 3.41Å; N165-S168 PolarHBondContact O-OG 2.83Å; S168-K172 WeakPolarHBondContact O-CB 3.35Å; S168-K172 VanDerWaalsContact O-CG 3.23Å; S168-K172 WeakPolarHBondContact O-CG 3.48Å; S168-K172 PolarHBondContact O-N 3.23Å
169	E	87.2	Confident	85.7	Confident	82 Å²	82	104.6 Å²	104.6	38%	0.383	50%	0.502	S	S	.	.	H	α-helix	trans	-73.7	-43.4	176.8	-161.4	-162.2	153.1	0	0	111.9	N165 V166 S167 L171 K172 R173	N165-E169 PolarHBondContact O-N 3.44Å; V166-E169 PolarHBondContact O-N 3.26Å; S167-E169 PolarHBondContact O-N 2.83Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.32Å; E169-K172 PolarHBondContact O-N 3.01Å; E169-R173 WeakPolarHBondContact O-CG 3.47Å; E169-R173 PolarHBondContact O-N 3.34Å; E169-R173 IonicContact OE1-CZ 2.65Å; E169-R173 VanDerWaalsContact OE1-CZ 3.25Å; E169-R173 IonicContact OE1-NE 3.41Å; E169-R173 PolarHBondContact OE1-NE 3.38Å; E169-R173 IonicContact OE1-NH2 3.06Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å
170	K	87.3	Confident	86.1	Confident	132 Å²	132	104.3 Å²	104.3	57%	0.574	50%	0.5	S	S	*	.	H	α-helix	trans	-62.9	-35.6	173	-74.3	168.7	-179.4	175.6	0	111.9	V166 S167 R174	V166-K170 HydrophobicContact CG1-CD 4.02Å; V166-K170 HydrophobicContact CG1-CG 4.5Å; V166-K170 WeakPolarHBondContact O-CB 3.23Å; V166-K170 VanDerWaalsContact O-CG 3.23Å; V166-K170 WeakPolarHBondContact O-CG 3.36Å; V166-K170 PolarHBondContact O-N 2.99Å; S167-K170 PolarHBondContact O-N 3.5Å; K170-R174 WeakPolarHBondContact O-CB 3.04Å; K170-R174 VanDerWaalsContact O-CG 3.32Å; K170-R174 WeakPolarHBondContact O-CG 3.29Å; K170-R174 PolarHBondContact O-N 2.76Å
171	L	86.4	Confident	86.4	Confident	107 Å²	107	102.5 Å²	102.5	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-67.5	-45.3	172.4	-73.4	167.4	0	0	0	111.1	S167 E169 R173 R174 S175	S167-L171 VanDerWaalsContact O-CB 3.3Å; S167-L171 WeakPolarHBondContact O-CB 3.44Å; S167-L171 WeakPolarHBondContact O-CG 3.49Å; S167-L171 PolarHBondContact O-N 2.96Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.32Å; L171-R173 PolarHBondContact O-N 3.2Å; L171-R174 WeakPolarHBondContact O-CB 3.31Å; L171-R174 PolarHBondContact O-N 3.07Å; L171-R174 VanDerWaalsContact O-N 3.16Å; L171-S175 PolarHBondContact O-N 3.14Å; L171-S175 PolarHBondContact O-OG 3.02Å
172	K	88.9	Confident	86.5	Confident	135 Å²	135	102 Å²	102	59%	0.587	50%	0.496	S	S	*	.	H	α-helix	trans	-57	-48.7	173.2	-77.1	167.1	-177.7	179	0	112.2	S168 E169 R174 S175 E176	S168-K172 WeakPolarHBondContact O-CB 3.35Å; S168-K172 VanDerWaalsContact O-CG 3.23Å; S168-K172 WeakPolarHBondContact O-CG 3.48Å; S168-K172 PolarHBondContact O-N 3.23Å; E169-K172 PolarHBondContact O-N 3.01Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.19Å; K172-S175 WeakPolarHBondContact CA-OG 3.47Å; K172-S175 PolarHBondContact O-N 3.29Å; K172-S175 PolarHBondContact O-OG 2.92Å; K172-E176 VanDerWaalsContact O-CB 3.32Å; K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 PolarHBondContact O-N 3.44Å
173	R	89.7	Confident	87	Confident	152 Å²	152	101.1 Å²	101.1	57%	0.574	50%	0.498	S	S	*	.	H	α-helix	trans	-61.2	-36.5	176.2	-68.6	175.3	-174	-137.8	7.8	111.9	E169 L171 I177	E169-R173 WeakPolarHBondContact O-CG 3.47Å; E169-R173 PolarHBondContact O-N 3.34Å; E169-R173 IonicContact OE1-CZ 2.65Å; E169-R173 VanDerWaalsContact OE1-CZ 3.25Å; E169-R173 IonicContact OE1-NE 3.41Å; E169-R173 PolarHBondContact OE1-NE 3.38Å; E169-R173 IonicContact OE1-NH2 3.06Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; L171-R173 PolarHBondContact O-N 3.2Å; R173-I177 WeakPolarHBondContact O-CD1 3.24Å; R173-I177 VanDerWaalsContact O-CG1 3.24Å; R173-I177 WeakPolarHBondContact O-CG1 3.24Å; R173-I177 PolarHBondContact O-N 2.8Å; R173-I177 VanDerWaalsContact O-N 3.09Å
174	R	91.1	Very high	87.5	Confident	160 Å²	160	102.1 Å²	102.1	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-65.8	-51.8	172.1	-79.2	177.6	-179.8	-158.1	-1.8	111.9	K170 L171 K172 E176 I177 E178	K170-R174 WeakPolarHBondContact O-CB 3.04Å; K170-R174 VanDerWaalsContact O-CG 3.32Å; K170-R174 WeakPolarHBondContact O-CG 3.29Å; K170-R174 PolarHBondContact O-N 2.76Å; L171-R174 WeakPolarHBondContact O-CB 3.31Å; L171-R174 PolarHBondContact O-N 3.07Å; L171-R174 VanDerWaalsContact O-N 3.16Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.19Å; R174-E176 PolarHBondContact O-N 3.3Å; R174-I177 CarbonylContact O-C 3.6Å; R174-I177 PolarHBondContact O-N 2.93Å; R174-E178 WeakPolarHBondContact O-CB 3.31Å; R174-E178 VanDerWaalsContact O-CG 3.3Å; R174-E178 WeakPolarHBondContact O-CG 3.38Å; R174-E178 PolarHBondContact O-N 3.49Å
175	S	85.8	Confident	88.3	Confident	60 Å²	60	102.1 Å²	102.1	42%	0.42	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-29.8	177.6	56.1	0	0	0	0	112.8	L171 K172 Q179	L171-S175 PolarHBondContact O-N 3.14Å; L171-S175 PolarHBondContact O-OG 3.02Å; K172-S175 WeakPolarHBondContact CA-OG 3.47Å; K172-S175 PolarHBondContact O-N 3.29Å; K172-S175 PolarHBondContact O-OG 2.92Å; S175-Q179 WeakPolarHBondContact O-CB 3.31Å; S175-Q179 PolarHBondContact O-N 3.15Å
176	E	93.3	Very high	89	Confident	91 Å²	91	101.8 Å²	101.8	43%	0.425	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-39.2	174	-168.1	-164.2	145.8	0	0	111.8	K172 R174 K180	K172-E176 VanDerWaalsContact O-CB 3.32Å; K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 PolarHBondContact O-N 3.44Å; R174-E176 PolarHBondContact O-N 3.3Å; E176-K180 HydrophobicContact CG-CD 4.39Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 WeakPolarHBondContact O-CD 3.46Å; E176-K180 WeakPolarHBondContact O-CG 3.07Å; E176-K180 PolarHBondContact O-N 3.44Å; E176-K180 WeakPolarHBondContact OE1-CE 3.39Å; E176-K180 IonicContact OE1-NZ 3.26Å; E176-K180 PolarHBondContact OE1-NZ 2.85Å
177	I	91.3	Very high	89.7	Confident	101 Å²	101	100.6 Å²	100.6	52%	0.518	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-45.5	172.8	-69.4	163.4	0	0	0	110.4	R173 R174 K180 L181	R173-I177 WeakPolarHBondContact O-CD1 3.24Å; R173-I177 VanDerWaalsContact O-CG1 3.24Å; R173-I177 WeakPolarHBondContact O-CG1 3.24Å; R173-I177 PolarHBondContact O-N 2.8Å; R173-I177 VanDerWaalsContact O-N 3.09Å; R174-I177 CarbonylContact O-C 3.6Å; R174-I177 PolarHBondContact O-N 2.93Å; I177-K180 PolarHBondContact O-N 3.5Å; I177-L181 HydrophobicContact CG2-CD1 4.01Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.43Å; I177-L181 PolarHBondContact O-N 2.84Å
178	E	91	Very high	90.5	Very high	116 Å²	116	104 Å²	104	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-45	176.6	-71.1	155.7	-163.1	0	0	110.9	R174 K180 L181 E182	R174-E178 WeakPolarHBondContact O-CB 3.31Å; R174-E178 VanDerWaalsContact O-CG 3.3Å; R174-E178 WeakPolarHBondContact O-CG 3.38Å; R174-E178 PolarHBondContact O-N 3.49Å; E178-K180 PolarHBondContact O-N 3.28Å; E178-L181 PolarHBondContact O-N 2.76Å; E178-E182 WeakPolarHBondContact O-CB 3.28Å; E178-E182 PolarHBondContact O-N 3.05Å
179	Q	92.8	Very high	90.9	Very high	123 Å²	123	110.6 Å²	110.6	58%	0.575	53%	0.526	S	S	*	.	H	α-helix	trans	-64	-38.6	174.1	-174.1	178.6	26.3	0	0	112.3	S175 E182 V183	S175-Q179 WeakPolarHBondContact O-CB 3.31Å; S175-Q179 PolarHBondContact O-N 3.15Å; Q179-E182 PolarHBondContact O-N 3.09Å; Q179-V183 HydrophobicContact CG-CG2 4.5Å; Q179-V183 WeakPolarHBondContact O-CB 3.38Å; Q179-V183 VanDerWaalsContact O-CG2 3.25Å; Q179-V183 WeakPolarHBondContact O-CG2 3.23Å; Q179-V183 PolarHBondContact O-N 3.09Å
180	K	94.8	Very high	91.2	Very high	115 Å²	115	111.8 Å²	111.8	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-39.5	174.8	-78.8	167	175.1	174.6	0	111.8	E176 I177 E178 Q184	E176-K180 HydrophobicContact CG-CD 4.39Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 WeakPolarHBondContact O-CD 3.46Å; E176-K180 WeakPolarHBondContact O-CG 3.07Å; E176-K180 PolarHBondContact O-N 3.44Å; E176-K180 WeakPolarHBondContact OE1-CE 3.39Å; E176-K180 IonicContact OE1-NZ 3.26Å; E176-K180 PolarHBondContact OE1-NZ 2.85Å; I177-K180 PolarHBondContact O-N 3.5Å; E178-K180 PolarHBondContact O-N 3.28Å; K180-Q184 WeakPolarHBondContact O-CB 3.42Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.42Å; K180-Q184 PolarHBondContact O-N 2.85Å
181	L	91.9	Very high	91.4	Very high	102 Å²	102	113.4 Å²	113.4	53%	0.534	53%	0.532	S	S	.	.	H	α-helix	trans	-67.9	-40.9	174.2	-70.2	169	0	0	0	111.9	I177 E178 Q184 A185	I177-L181 HydrophobicContact CG2-CD1 4.01Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.43Å; I177-L181 PolarHBondContact O-N 2.84Å; E178-L181 PolarHBondContact O-N 2.76Å; L181-Q184 PolarHBondContact O-N 3.45Å; L181-A185 WeakPolarHBondContact O-CB 3.48Å; L181-A185 PolarHBondContact O-N 3.34Å
182	E	91.4	Very high	91.6	Very high	134 Å²	134	111.3 Å²	111.3	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-44.6	176	-175.2	168.5	-132.7	0	0	111.5	E178 Q179 Q184 A185 E186	E178-E182 WeakPolarHBondContact O-CB 3.28Å; E178-E182 PolarHBondContact O-N 3.05Å; Q179-E182 PolarHBondContact O-N 3.09Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 2.99Å; E182-A185 PolarHBondContact O-N 3.44Å; E182-E186 WeakPolarHBondContact O-CB 3.29Å; E182-E186 WeakPolarHBondContact O-CG 3.38Å; E182-E186 PolarHBondContact O-N 2.83Å
183	V	93.6	Very high	91.7	Very high	89 Å²	89	109 Å²	109	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-37.7	174.4	168.3	0	0	0	0	111.8	Q179 A187	Q179-V183 HydrophobicContact CG-CG2 4.5Å; Q179-V183 WeakPolarHBondContact O-CB 3.38Å; Q179-V183 VanDerWaalsContact O-CG2 3.25Å; Q179-V183 WeakPolarHBondContact O-CG2 3.23Å; Q179-V183 PolarHBondContact O-N 3.09Å; V183-A187 VanDerWaalsContact O-CB 3.28Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.04Å
184	Q	92.5	Very high	91.9	Very high	130 Å²	130	104.9 Å²	104.9	61%	0.607	50%	0.504	S	S	*	.	H	α-helix	trans	-66.5	-47.2	174	-76.5	174.1	0.7	0	0	112	K180 L181 E182 E186 A187 E188	K180-Q184 WeakPolarHBondContact O-CB 3.42Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.42Å; K180-Q184 PolarHBondContact O-N 2.85Å; L181-Q184 PolarHBondContact O-N 3.45Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 2.99Å; Q184-E186 PolarHBondContact O-N 2.82Å; Q184-A187 PolarHBondContact O-N 3.46Å; Q184-A187 VanDerWaalsContact O-N 3.14Å; Q184-E188 PolarHBondContact O-N 3.04Å
185	A	92.5	Very high	92	Very high	57 Å²	57	101 Å²	101	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-37.7	177.5	0	0	0	0	0	112.3	L181 E182 R189	L181-A185 WeakPolarHBondContact O-CB 3.48Å; L181-A185 PolarHBondContact O-N 3.34Å; E182-A185 PolarHBondContact O-N 3.44Å; A185-R189 WeakPolarHBondContact O-CB 3.46Å; A185-R189 PolarHBondContact O-N 3.34Å
186	E	91.9	Very high	92.2	Very high	89 Å²	89	102.5 Å²	102.5	42%	0.416	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-41.7	170.4	-79.7	-146.2	145	0	0	112	E182 Q184 R189 K190	E182-E186 WeakPolarHBondContact O-CB 3.29Å; E182-E186 WeakPolarHBondContact O-CG 3.38Å; E182-E186 PolarHBondContact O-N 2.83Å; Q184-E186 PolarHBondContact O-N 2.82Å; E186-R189 PolarHBondContact O-N 2.65Å; E186-K190 VanDerWaalsContact O-CB 3.3Å; E186-K190 WeakPolarHBondContact O-CB 3.32Å; E186-K190 VanDerWaalsContact O-CD 3.31Å; E186-K190 WeakPolarHBondContact O-CD 3.4Å; E186-K190 WeakPolarHBondContact O-CG 3.2Å; E186-K190 PolarHBondContact O-N 3.44Å; E186-K190 WeakPolarHBondContact OE2-CE 3.48Å; E186-K190 IonicContact OE2-NZ 2.62Å; E186-K190 PolarHBondContact OE2-NZ 3.33Å
187	A	92.5	Very high	92.1	Very high	35 Å²	35	104 Å²	104	29%	0.289	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-43.5	179.4	0	0	0	0	0	111.9	V183 Q184 K190 R191	V183-A187 VanDerWaalsContact O-CB 3.28Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.04Å; Q184-A187 PolarHBondContact O-N 3.46Å; Q184-A187 VanDerWaalsContact O-N 3.14Å; A187-K190 PolarHBondContact O-N 3.1Å; A187-R191 WeakPolarHBondContact O-CG 3.4Å; A187-R191 PolarHBondContact O-N 2.9Å
188	E	92.5	Very high	92.3	Very high	128 Å²	128	104.7 Å²	104.7	60%	0.598	50%	0.495	S	S	*	.	H	α-helix	trans	-60.2	-49.4	172.5	-171.7	-174.2	157.2	0	0	111.1	Q184 K190 R191 V192	Q184-E188 PolarHBondContact O-N 3.04Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3.48Å; E188-R191 WeakPolarHBondContact O-CB 3.37Å; E188-R191 PolarHBondContact O-N 2.89Å; E188-R191 VanDerWaalsContact O-N 3.14Å; E188-V192 PolarHBondContact O-N 2.86Å
189	R	90.5	Very high	92.4	Very high	184 Å²	184	99.9 Å²	99.9	69%	0.694	47%	0.473	S	S	*	.	H	α-helix	trans	-58.7	-39.3	177.2	-179.7	178.4	169.6	-168.6	-4.4	112.7	A185 E186 E193	A185-R189 WeakPolarHBondContact O-CB 3.46Å; A185-R189 PolarHBondContact O-N 3.34Å; E186-R189 PolarHBondContact O-N 2.65Å; R189-E193 WeakPolarHBondContact O-CB 3.44Å; R189-E193 PolarHBondContact O-N 3.29Å
190	K	94.1	Very high	92.4	Very high	108 Å²	108	97.4 Å²	97.4	47%	0.47	46%	0.46	S	S	.	.	H	α-helix	trans	-69.8	-36.7	177.1	-72.7	161.9	-167.2	168.9	0	112	E186 A187 E188 E193 N194	E186-K190 VanDerWaalsContact O-CB 3.3Å; E186-K190 WeakPolarHBondContact O-CB 3.32Å; E186-K190 VanDerWaalsContact O-CD 3.31Å; E186-K190 WeakPolarHBondContact O-CD 3.4Å; E186-K190 WeakPolarHBondContact O-CG 3.2Å; E186-K190 PolarHBondContact O-N 3.44Å; E186-K190 WeakPolarHBondContact OE2-CE 3.48Å; E186-K190 IonicContact OE2-NZ 2.62Å; E186-K190 PolarHBondContact OE2-NZ 3.33Å; A187-K190 PolarHBondContact O-N 3.1Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3.48Å; K190-E193 PolarHBondContact O-N 2.93Å; K190-N194 WeakPolarHBondContact O-CB 3.41Å; K190-N194 VanDerWaalsContact O-CG 3.27Å; K190-N194 PolarHBondContact O-N 3.01Å
191	R	91.9	Very high	92.3	Very high	166 Å²	166	96.4 Å²	96.4	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-55.2	172.1	-73.7	168.7	-179.3	158.9	-0.7	111.2	A187 E188 E193 N194 E195	A187-R191 WeakPolarHBondContact O-CG 3.4Å; A187-R191 PolarHBondContact O-N 2.9Å; E188-R191 WeakPolarHBondContact O-CB 3.37Å; E188-R191 PolarHBondContact O-N 2.89Å; E188-R191 VanDerWaalsContact O-N 3.14Å; R191-E193 PolarHBondContact O-N 2.7Å; R191-N194 WeakPolarHBondContact O-CA 3.41Å; R191-N194 PolarHBondContact O-N 3.03Å; R191-E195 WeakPolarHBondContact O-CG 3.38Å; R191-E195 PolarHBondContact O-N 3.16Å
192	V	89.8	Confident	92.4	Very high	63 Å²	63	95 Å²	95	38%	0.382	45%	0.448	S	S	.	.	H	α-helix	trans	-60.8	-32.4	178.9	177.1	0	0	0	0	112.2	E188 K196	E188-V192 PolarHBondContact O-N 2.86Å; V192-K196 WeakPolarHBondContact O-CB 3.46Å; V192-K196 PolarHBondContact O-N 3.03Å
193	E	91.6	Very high	92.4	Very high	85 Å²	85	90.1 Å²	90.1	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-71.4	-39.4	172.7	-161.1	-178.8	158.4	0	0	112.7	R189 K190 R191 R197	R189-E193 WeakPolarHBondContact O-CB 3.44Å; R189-E193 PolarHBondContact O-N 3.29Å; K190-E193 PolarHBondContact O-N 2.93Å; R191-E193 PolarHBondContact O-N 2.7Å; E193-R197 VanDerWaalsContact O-CG 3.23Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.69Å; E193-R197 IonicContact OE1-CZ 2.92Å; E193-R197 IonicContact OE1-NE 3.3Å; E193-R197 PolarHBondContact OE1-NE 3.14Å; E193-R197 IonicContact OE1-NH2 3.5Å; E193-R197 PolarHBondContact OE1-NH2 2.82Å; E193-R197 IonicContact OE2-NH2 3.44Å
194	N	93.4	Very high	92.3	Very high	66 Å²	66	91 Å²	91	35%	0.353	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-50.7	176.7	-74.9	-9.1	0	0	0	112.2	K190 R191 K196 R197 E198	K190-N194 WeakPolarHBondContact O-CB 3.41Å; K190-N194 VanDerWaalsContact O-CG 3.27Å; K190-N194 PolarHBondContact O-N 3.01Å; R191-N194 WeakPolarHBondContact O-CA 3.41Å; R191-N194 PolarHBondContact O-N 3.03Å; N194-K196 PolarHBondContact O-N 2.94Å; N194-K196 VanDerWaalsContact O-N 3.14Å; N194-R197 WeakPolarHBondContact O-CA 3.5Å; N194-R197 WeakPolarHBondContact O-CB 3.49Å; N194-R197 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact OD1-NH1 3.27Å; N194-E198 WeakPolarHBondContact O-CB 3.46Å; N194-E198 WeakPolarHBondContact O-CG 3.45Å; N194-E198 PolarHBondContact O-N 2.73Å
195	E	92	Very high	92.3	Very high	78 Å²	78	85.6 Å²	85.6	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-49.5	-43.4	173.5	-69.8	160.1	-150.4	0	0	111.3	R191 L199	R191-E195 WeakPolarHBondContact O-CG 3.38Å; R191-E195 PolarHBondContact O-N 3.16Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 VanDerWaalsContact O-CG 3.25Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.38Å
196	K	91.4	Very high	92.3	Very high	92 Å²	92	84.5 Å²	84.5	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-40.8	176.4	177.3	-179.4	172.4	-174.7	0	113.1	T30 V192 N194 F200	T30-K196 HydrophobicContact CG2-CD 4.07Å; T30-K196 HydrophobicContact CG2-CG 4.28Å; V192-K196 WeakPolarHBondContact O-CB 3.46Å; V192-K196 PolarHBondContact O-N 3.03Å; N194-K196 PolarHBondContact O-N 2.94Å; N194-K196 VanDerWaalsContact O-N 3.14Å; K196-F200 HydrophobicContact CG-CD2 4.07Å; K196-F200 HydrophobicContact CG-CE2 4.07Å; K196-F200 VanDerWaalsContact O-CD2 3.23Å; K196-F200 WeakPolarHBondContact O-CD2 3.37Å; K196-F200 PolarHBondContact O-N 3.14Å; K196-F200 VanDerWaalsContact O-N 3.14Å
197	R	91.8	Very high	92.3	Very high	123 Å²	123	82.7 Å²	82.7	46%	0.464	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-50.4	175	-72.1	161.4	-176.1	178.6	-4.4	109.9	E193 N194 L199 F200 E201	E193-R197 VanDerWaalsContact O-CG 3.23Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.69Å; E193-R197 IonicContact OE1-CZ 2.92Å; E193-R197 IonicContact OE1-NE 3.3Å; E193-R197 PolarHBondContact OE1-NE 3.14Å; E193-R197 IonicContact OE1-NH2 3.5Å; E193-R197 PolarHBondContact OE1-NH2 2.82Å; E193-R197 IonicContact OE2-NH2 3.44Å; N194-R197 WeakPolarHBondContact O-CA 3.5Å; N194-R197 WeakPolarHBondContact O-CB 3.49Å; N194-R197 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact OD1-NH1 3.27Å; R197-L199 PolarHBondContact O-N 2.91Å; R197-F200 PolarHBondContact O-N 2.97Å; R197-F200 VanDerWaalsContact O-N 3.09Å; R197-E201 WeakPolarHBondContact O-CG 3.25Å; R197-E201 PolarHBondContact O-N 2.93Å
198	E	93.9	Very high	92.2	Very high	116 Å²	116	84 Å²	84	54%	0.542	38%	0.378	S	S	.	.	H	α-helix	trans	-54.8	-49.5	178.2	-71.5	160.9	-149.1	0	0	111.1	N194 F200 E201 E202	N194-E198 WeakPolarHBondContact O-CB 3.46Å; N194-E198 WeakPolarHBondContact O-CG 3.45Å; N194-E198 PolarHBondContact O-N 2.73Å; E198-F200 PolarHBondContact O-N 2.95Å; E198-E201 CarbonylContact O-C 3.57Å; E198-E201 PolarHBondContact O-N 3.11Å; E198-E202 WeakPolarHBondContact O-CB 3.34Å; E198-E202 PolarHBondContact O-N 3.42Å
199	L	93.6	Very high	92.1	Very high	15 Å²	15	82.4 Å²	82.4	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-37.2	176.2	-72.1	167.5	0	0	0	113.3	V22 N25 I26 L29 E195 R197 E201 R203	V22-L199 HydrophobicContact CG1-CD2 4.24Å; V22-L199 WeakPolarHBondContact CG1-O 3.23Å; N25-L199 HydrophobicContact CB-CD1 4.15Å; N25-L199 HydrophobicContact CB-CD2 4.11Å; N25-L199 WeakPolarHBondContact ND2-CD2 3.5Å; I26-L199 HydrophobicContact CD1-CB 4.24Å; I26-L199 HydrophobicContact CG1-CB 3.72Å; I26-L199 HydrophobicContact CG1-CD1 4.48Å; L29-L199 HydrophobicContact CD1-CD1 3.44Å; L29-L199 VanDerWaalsContact CD1-CD1 3.44Å; E195-L199 WeakPolarHBondContact O-CB 3.43Å; E195-L199 VanDerWaalsContact O-CG 3.25Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.38Å; R197-L199 PolarHBondContact O-N 2.91Å; L199-E201 VanDerWaalsContact C-N 3.3Å; L199-E201 PolarHBondContact O-N 2.86Å; L199-R203 WeakPolarHBondContact O-CB 3.4Å; L199-R203 PolarHBondContact O-N 3.14Å
200	F	93.1	Very high	92.2	Very high	71 Å²	71	74.4 Å²	74.4	31%	0.311	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-26.5	173.8	-86.1	-66.3	0	0	0	112.9	I26 T30 P34 K196 R197 E198 K204	I26-F200 HydrophobicContact CD1-CD1 4.09Å; I26-F200 HydrophobicContact CD1-CE1 4.16Å; I26-F200 HydrophobicContact CD1-CG 4.43Å; I26-F200 HydrophobicContact CG2-CE1 3.97Å; I26-F200 HydrophobicContact CG2-CE2 3.86Å; I26-F200 HydrophobicContact CG2-CZ 3.44Å; I26-F200 VanDerWaalsContact CG2-CZ 3.44Å; T30-F200 HydrophobicContact CG2-CE2 4.4Å; P34-F200 HydrophobicContact CB-CE1 3.98Å; P34-F200 HydrophobicContact CB-CZ 4.45Å; K196-F200 HydrophobicContact CG-CD2 4.07Å; K196-F200 HydrophobicContact CG-CE2 4.07Å; K196-F200 VanDerWaalsContact O-CD2 3.23Å; K196-F200 WeakPolarHBondContact O-CD2 3.37Å; K196-F200 PolarHBondContact O-N 3.14Å; K196-F200 VanDerWaalsContact O-N 3.14Å; R197-F200 PolarHBondContact O-N 2.97Å; R197-F200 VanDerWaalsContact O-N 3.09Å; E198-F200 PolarHBondContact O-N 2.95Å; F200-K204 VanDerWaalsContact O-CG 3.24Å; F200-K204 WeakPolarHBondContact O-CG 3.42Å; F200-K204 PolarHBondContact O-N 2.63Å; F200-K204 VanDerWaalsContact O-N 3.15Å
201	E	93.1	Very high	92.2	Very high	93 Å²	93	76.2 Å²	76.2	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-80.5	-39.4	174.5	-70.9	-178.2	-172	0	0	112.3	R197 E198 L199 R203 K204 A205	R197-E201 WeakPolarHBondContact O-CG 3.25Å; R197-E201 PolarHBondContact O-N 2.93Å; E198-E201 CarbonylContact O-C 3.57Å; E198-E201 PolarHBondContact O-N 3.11Å; L199-E201 VanDerWaalsContact C-N 3.3Å; L199-E201 PolarHBondContact O-N 2.86Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-K204 WeakPolarHBondContact O-CB 3.3Å; E201-K204 PolarHBondContact O-N 3.25Å; E201-A205 WeakPolarHBondContact O-CB 3.28Å; E201-A205 PolarHBondContact O-N 3.07Å
202	E	92.8	Very high	92.1	Very high	74 Å²	74	70.6 Å²	70.6	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-42.9	169.3	-165.9	-161.4	168.1	0	0	110.9	V22 E198 K204 A205 K206	V22-E202 HydrophobicContact CG2-CG 4.26Å; V22-E202 VanDerWaalsContact CG2-OE1 3.28Å; V22-E202 WeakPolarHBondContact CG2-OE1 3.5Å; V22-E202 VanDerWaalsContact CG2-OE2 3.3Å; V22-E202 WeakPolarHBondContact CG2-OE2 3.49Å; E198-E202 WeakPolarHBondContact O-CB 3.34Å; E198-E202 PolarHBondContact O-N 3.42Å; E202-K204 PolarHBondContact O-N 3.45Å; E202-A205 WeakPolarHBondContact O-CA 3.38Å; E202-A205 VanDerWaalsContact O-CB 3.28Å; E202-A205 WeakPolarHBondContact O-CB 3.21Å; E202-A205 PolarHBondContact O-N 3.2Å; E202-A205 VanDerWaalsContact O-N 3.12Å; E202-K206 HydrophobicContact CG-CD 4.3Å; E202-K206 PolarHBondContact O-N 2.9Å; E202-K206 WeakPolarHBondContact OE1-CE 3.45Å; E202-K206 IonicContact OE1-NZ 3.61Å; E202-K206 PolarHBondContact OE1-NZ 2.69Å
203	R	92.9	Very high	92.2	Very high	30 Å²	30	68.1 Å²	68.1	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-48.5	173	-171.1	-162.8	-166.8	-134.5	-4.1	111.8	L19 V22 D23 I26 P34 N35 L199 E201 A205 Q207	L19-R203 HydrophobicContact CD1-CG 3.77Å; V22-R203 HydrophobicContact CG1-CB 3.87Å; V22-R203 HydrophobicContact CG1-CG 4.5Å; D23-R203 WeakPolarHBondContact OD1-CD 3.23Å; D23-R203 WeakPolarHBondContact OD1-CG 3.42Å; D23-R203 IonicContact OD1-CZ 2.67Å; D23-R203 IonicContact OD1-NE 2.62Å; D23-R203 PolarHBondContact OD1-NE 2.88Å; D23-R203 IonicContact OD1-NH2 3.69Å; D23-R203 PolarHBondContact OD1-NH2 3.29Å; D23-R203 IonicContact OD2-CZ 2.59Å; D23-R203 IonicContact OD2-NE 3.29Å; D23-R203 IonicContact OD2-NH2 3.85Å; D23-R203 PolarHBondContact OD2-NH2 3.11Å; I26-R203 HydrophobicContact CD1-CB 4Å; I26-R203 HydrophobicContact CD1-CG 4.27Å; P34-R203 PolarHBondContact O-NH1 3.43Å; P34-R203 PolarHBondContact O-NH2 3.01Å; N35-R203 VanDerWaalsContact CG-NH2 3.34Å; N35-R203 PolarHBondContact OD1-NH2 3.32Å; L199-R203 WeakPolarHBondContact O-CB 3.4Å; L199-R203 PolarHBondContact O-N 3.14Å; E201-R203 VanDerWaalsContact C-N 3.35Å; R203-A205 VanDerWaalsContact C-N 3.27Å; R203-A205 PolarHBondContact O-N 3.39Å; R203-Q207 VanDerWaalsContact CZ-NE2 3.3Å; R203-Q207 WeakPolarHBondContact O-CB 3.16Å; R203-Q207 VanDerWaalsContact O-CG 3.29Å; R203-Q207 WeakPolarHBondContact O-CG 3.44Å; R203-Q207 PolarHBondContact O-N 3.42Å
204	K	91.5	Very high	92.2	Very high	107 Å²	107	67.8 Å²	67.8	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-41.6	173.8	-74.6	166.6	-176.6	175.4	0	110.5	F200 E201 E202 Q207 T208	F200-K204 VanDerWaalsContact O-CG 3.24Å; F200-K204 WeakPolarHBondContact O-CG 3.42Å; F200-K204 PolarHBondContact O-N 2.63Å; F200-K204 VanDerWaalsContact O-N 3.15Å; E201-K204 WeakPolarHBondContact O-CB 3.3Å; E201-K204 PolarHBondContact O-N 3.25Å; E202-K204 PolarHBondContact O-N 3.45Å; K204-Q207 PolarHBondContact O-N 3.33Å; K204-T208 WeakPolarHBondContact O-CG2 3.35Å; K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 2.97Å
205	A	92	Very high	92.1	Very high	17 Å²	17	69 Å²	69	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-58	179.2	0	0	0	0	0	111.2	E201 E202 R203 Q207 T208 E209	E201-A205 WeakPolarHBondContact O-CB 3.28Å; E201-A205 PolarHBondContact O-N 3.07Å; E202-A205 WeakPolarHBondContact O-CA 3.38Å; E202-A205 VanDerWaalsContact O-CB 3.28Å; E202-A205 WeakPolarHBondContact O-CB 3.21Å; E202-A205 PolarHBondContact O-N 3.2Å; E202-A205 VanDerWaalsContact O-N 3.12Å; R203-A205 VanDerWaalsContact C-N 3.27Å; R203-A205 PolarHBondContact O-N 3.39Å; A205-Q207 VanDerWaalsContact C-N 3.29Å; A205-Q207 PolarHBondContact O-N 2.85Å; A205-T208 PolarHBondContact O-N 3.48Å; A205-T208 PolarHBondContact O-OG1 2.84Å; A205-E209 WeakPolarHBondContact O-CB 3.41Å; A205-E209 PolarHBondContact O-N 2.69Å
206	K	92.6	Very high	92.1	Very high	34 Å²	34	66.5 Å²	66.5	15%	0.148	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-36.6	178	-74.7	172.6	168.2	173.9	0	112	S18 L19 V22 E202 E209 L210	S18-K206 WeakPolarHBondContact O-CD 3.38Å; S18-K206 PolarHBondContact O-NZ 3.21Å; S18-K206 VanDerWaalsContact OG-CE 3.25Å; S18-K206 WeakPolarHBondContact OG-CE 3.32Å; L19-K206 HydrophobicContact CB-CB 4.29Å; L19-K206 HydrophobicContact CD1-CB 4.06Å; V22-K206 HydrophobicContact CG2-CD 4Å; V22-K206 VanDerWaalsContact CG2-NZ 3.3Å; E202-K206 HydrophobicContact CG-CD 4.3Å; E202-K206 PolarHBondContact O-N 2.9Å; E202-K206 WeakPolarHBondContact OE1-CE 3.45Å; E202-K206 IonicContact OE1-NZ 3.61Å; E202-K206 PolarHBondContact OE1-NZ 2.69Å; K206-E209 PolarHBondContact O-N 2.67Å; K206-L210 WeakPolarHBondContact O-CB 3.25Å; K206-L210 PolarHBondContact O-N 3.32Å
207	Q	91.9	Very high	92.1	Very high	51 Å²	51	62.6 Å²	62.6	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-35.2	172.5	-76	-178.4	3.8	0	0	113.9	L19 R203 K204 A205 R211	L19-Q207 HydrophobicContact CD1-CG 3.92Å; L19-Q207 HydrophobicContact CD2-CG 3.71Å; R203-Q207 VanDerWaalsContact CZ-NE2 3.3Å; R203-Q207 WeakPolarHBondContact O-CB 3.16Å; R203-Q207 VanDerWaalsContact O-CG 3.29Å; R203-Q207 WeakPolarHBondContact O-CG 3.44Å; R203-Q207 PolarHBondContact O-N 3.42Å; K204-Q207 PolarHBondContact O-N 3.33Å; A205-Q207 VanDerWaalsContact C-N 3.29Å; A205-Q207 PolarHBondContact O-N 2.85Å; Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 3.47Å
208	T	89.9	Confident	92.1	Very high	62 Å²	62	62.3 Å²	62.3	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-74.2	-35.3	174.6	53.2	0	0	0	0	112.8	K204 A205 L212 R290	K204-T208 WeakPolarHBondContact O-CG2 3.35Å; K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 2.97Å; A205-T208 PolarHBondContact O-N 3.48Å; A205-T208 PolarHBondContact O-OG1 2.84Å; T208-L212 PolarHBondContact O-N 2.88Å; T208-R290 PolarHBondContact OG1-NH1 3.3Å
209	E	90.2	Very high	91.9	Very high	95 Å²	95	58.7 Å²	58.7	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-46.7	176.2	-179	179.9	-176	0	0	111.8	A205 K206 R211 L212 L213	A205-E209 WeakPolarHBondContact O-CB 3.41Å; A205-E209 PolarHBondContact O-N 2.69Å; K206-E209 PolarHBondContact O-N 2.67Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 3.38Å; E209-L212 CarbonylContact O-C 3.56Å; E209-L212 WeakPolarHBondContact O-CA 3.35Å; E209-L212 WeakPolarHBondContact O-CB 3.49Å; E209-L212 PolarHBondContact O-N 3.48Å; E209-L213 HydrophobicContact CG-CD1 4.25Å; E209-L213 PolarHBondContact O-N 2.95Å
210	L	93.8	Very high	91.7	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-44.2	176.9	-172.2	169.9	0	0	0	111.3	K16 L19 K206 L212 L213 E214	K16-L210 HydrophobicContact CB-CD1 4.46Å; K16-L210 HydrophobicContact CG-CD1 3.68Å; K16-L210 HydrophobicContact CG-CG 4.12Å; L19-L210 HydrophobicContact CD2-CD1 3.63Å; K206-L210 WeakPolarHBondContact O-CB 3.25Å; K206-L210 PolarHBondContact O-N 3.32Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-L213 PolarHBondContact O-N 3.31Å; L210-E214 HydrophobicContact CD2-CG 4.01Å; L210-E214 VanDerWaalsContact CD2-OE1 3.31Å; L210-E214 WeakPolarHBondContact CD2-OE1 3.31Å; L210-E214 WeakPolarHBondContact O-CG 3.39Å; L210-E214 PolarHBondContact O-N 2.87Å
211	R	92.7	Very high	91.6	Very high	145 Å²	145	58.4 Å²	58.4	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-34.8	174	-73.2	173.2	-175.3	151.2	6.4	113.4	Q207 E209 Q215	Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 3.47Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 3.38Å; R211-Q215 WeakPolarHBondContact O-CG 3.3Å; R211-Q215 PolarHBondContact O-N 2.61Å; R211-Q215 VanDerWaalsContact O-N 3.13Å
212	L	90.8	Very high	91.5	Very high	48 Å²	48	58.7 Å²	58.7	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-73.7	-36.4	177.3	174.5	146.7	0	0	0	110.8	T208 E209 L210 Q215 K216 M285	T208-L212 PolarHBondContact O-N 2.88Å; E209-L212 CarbonylContact O-C 3.56Å; E209-L212 WeakPolarHBondContact O-CA 3.35Å; E209-L212 WeakPolarHBondContact O-CB 3.49Å; E209-L212 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-Q215 PolarHBondContact O-N 3.22Å; L212-K216 HydrophobicContact CD2-CD 4.26Å; L212-K216 VanDerWaalsContact CD2-CE 3.46Å; L212-K216 WeakPolarHBondContact O-CG 3.4Å; L212-K216 PolarHBondContact O-N 3.14Å; L212-M285 WeakPolarHBondContact CD1-O 3.41Å
213	L	92	Very high	91.4	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-41.3	170.5	-70.7	168.5	0	0	0	112.2	Q11 L12 A15 E209 L210 Q215 K216 V217	Q11-L213 HydrophobicContact CB-CD2 4.21Å; L12-L213 HydrophobicContact CB-CB 4.21Å; L12-L213 HydrophobicContact CG-CB 4.14Å; A15-L213 HydrophobicContact CB-CD1 3.61Å; E209-L213 HydrophobicContact CG-CD1 4.25Å; E209-L213 PolarHBondContact O-N 2.95Å; L210-L213 PolarHBondContact O-N 3.31Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.98Å; L213-K216 PolarHBondContact O-N 2.97Å; L213-V217 WeakPolarHBondContact O-CG2 3.5Å; L213-V217 PolarHBondContact O-N 3.16Å
214	E	91.8	Very high	91.3	Very high	78 Å²	78	56.4 Å²	56.4	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-55.6	-47	172.4	-77.8	172.8	157.2	0	0	111.3	L12 K16 L210 V217 E218	L12-E214 HydrophobicContact CD1-CB 4.36Å; L12-E214 HydrophobicContact CD1-CG 3.79Å; L12-E214 HydrophobicContact CD2-CG 4.1Å; L12-E214 HydrophobicContact CG-CG 4.09Å; K16-E214 IonicContact NZ-OE1 2.63Å; L210-E214 HydrophobicContact CD2-CG 4.01Å; L210-E214 VanDerWaalsContact CD2-OE1 3.31Å; L210-E214 WeakPolarHBondContact CD2-OE1 3.31Å; L210-E214 WeakPolarHBondContact O-CG 3.39Å; L210-E214 PolarHBondContact O-N 2.87Å; E214-V217 PolarHBondContact O-N 3.38Å; E214-E218 PolarHBondContact O-N 2.84Å
215	Q	91.1	Very high	91.3	Very high	92 Å²	92	57.5 Å²	57.5	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-36.7	176.6	-71.7	174	-13.9	0	0	112.8	R211 L212 L213 L219 M285	R211-Q215 WeakPolarHBondContact O-CG 3.3Å; R211-Q215 PolarHBondContact O-N 2.61Å; R211-Q215 VanDerWaalsContact O-N 3.13Å; L212-Q215 PolarHBondContact O-N 3.22Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.98Å; Q215-L219 WeakPolarHBondContact O-CB 3.12Å; Q215-L219 WeakPolarHBondContact O-CD1 3.49Å; Q215-L219 WeakPolarHBondContact O-CG 3.2Å; Q215-L219 PolarHBondContact O-N 2.99Å; Q215-M285 HydrophobicContact CB-CE 4.4Å
216	K	90.9	Very high	91.2	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.109	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-40.7	172.5	-73.1	-176.1	-172.9	177.1	0	112.4	L8 L212 L213 A220 L282 E286	L8-K216 HydrophobicContact CD1-CB 4.38Å; L8-K216 HydrophobicContact CD2-CB 4.2Å; L8-K216 HydrophobicContact CD2-CD 4.21Å; L212-K216 HydrophobicContact CD2-CD 4.26Å; L212-K216 VanDerWaalsContact CD2-CE 3.46Å; L212-K216 WeakPolarHBondContact O-CG 3.4Å; L212-K216 PolarHBondContact O-N 3.14Å; L213-K216 PolarHBondContact O-N 2.97Å; K216-A220 VanDerWaalsContact O-CB 3.26Å; K216-A220 WeakPolarHBondContact O-CB 3.19Å; K216-A220 PolarHBondContact O-N 3.45Å; K216-L282 HydrophobicContact CB-CD2 4.29Å; K216-L282 HydrophobicContact CD-CD2 4.45Å; K216-L282 HydrophobicContact CG-CD2 3.83Å; K216-E286 WeakPolarHBondContact CE-OE1 3.33Å; K216-E286 IonicContact NZ-OE1 3.32Å; K216-E286 PolarHBondContact NZ-OE1 3.35Å
217	V	92.7	Very high	91.1	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-47.3	177	168.6	0	0	0	0	111	L8 Q9 L12 L213 E214 L219 A220 Q221	L8-V217 HydrophobicContact CB-CG2 3.57Å; Q9-V217 HydrophobicContact CG-CG1 3.88Å; Q9-V217 HydrophobicContact CG-CG2 4.15Å; L12-V217 HydrophobicContact CD1-CB 4.04Å; L12-V217 HydrophobicContact CD1-CG2 3.63Å; L213-V217 WeakPolarHBondContact O-CG2 3.5Å; L213-V217 PolarHBondContact O-N 3.16Å; E214-V217 PolarHBondContact O-N 3.38Å; V217-L219 PolarHBondContact O-N 3.02Å; V217-A220 PolarHBondContact O-N 3.24Å; V217-Q221 HydrophobicContact CG1-CG 4.33Å; V217-Q221 WeakPolarHBondContact O-CB 3.21Å; V217-Q221 VanDerWaalsContact O-CG 3.31Å; V217-Q221 WeakPolarHBondContact O-CG 3.35Å; V217-Q221 PolarHBondContact O-N 3.03Å
218	E	91.2	Very high	91	Very high	118 Å²	118	61 Å²	61	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-56.4	-48.8	176.6	-178	-179.7	-167	0	0	111.5	E214 A220 Q221 L222	E214-E218 PolarHBondContact O-N 2.84Å; E218-A220 PolarHBondContact O-N 2.88Å; E218-Q221 PolarHBondContact O-N 2.89Å; E218-L222 HydrophobicContact CG-CD1 4.43Å; E218-L222 WeakPolarHBondContact O-CG 3.26Å; E218-L222 PolarHBondContact O-N 3.48Å
219	L	89	Confident	91	Very high	40 Å²	40	63.8 Å²	63.8	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-45.9	176	-71.2	165.6	0	0	0	112.1	Q215 V217 Q221 L222 Q223 F278 H281 L282	Q215-L219 WeakPolarHBondContact O-CB 3.12Å; Q215-L219 WeakPolarHBondContact O-CD1 3.49Å; Q215-L219 WeakPolarHBondContact O-CG 3.2Å; Q215-L219 PolarHBondContact O-N 2.99Å; V217-L219 PolarHBondContact O-N 3.02Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; L219-Q221 PolarHBondContact O-N 3.37Å; L219-L222 PolarHBondContact O-N 2.79Å; L219-Q223 PolarHBondContact O-N 2.67Å; L219-F278 HydrophobicContact CB-CE2 4.01Å; L219-F278 WeakPolarHBondContact O-CE2 3.19Å; L219-H281 WeakPolarHBondContact CD1-ND1 3.47Å; L219-L282 HydrophobicContact CD1-CD2 4.44Å
220	A	90.3	Very high	91	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-34.9	-178.7	0	0	0	0	0	112.5	V5 L8 K216 V217 E218 Q223 E224 F278	V5-A220 HydrophobicContact CG2-CB 3.84Å; L8-A220 HydrophobicContact CD1-CB 3.77Å; K216-A220 VanDerWaalsContact O-CB 3.26Å; K216-A220 WeakPolarHBondContact O-CB 3.19Å; K216-A220 PolarHBondContact O-N 3.45Å; V217-A220 PolarHBondContact O-N 3.24Å; E218-A220 PolarHBondContact O-N 2.88Å; A220-Q223 PolarHBondContact O-N 3.14Å; A220-E224 WeakPolarHBondContact O-CB 3.25Å; A220-E224 PolarHBondContact O-N 3.3Å; A220-F278 HydrophobicContact CB-CZ 4.17Å
221	Q	91.5	Very high	90.8	Very high	78 Å²	78	63 Å²	63	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-48.4	173	-74.2	173	-9.3	0	0	111.4	V5 V217 E218 L219 Q223 E224 E225	V5-Q221 HydrophobicContact CG1-CG 3.76Å; V217-Q221 HydrophobicContact CG1-CG 4.33Å; V217-Q221 WeakPolarHBondContact O-CB 3.21Å; V217-Q221 VanDerWaalsContact O-CG 3.31Å; V217-Q221 WeakPolarHBondContact O-CG 3.35Å; V217-Q221 PolarHBondContact O-N 3.03Å; E218-Q221 PolarHBondContact O-N 2.89Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; L219-Q221 PolarHBondContact O-N 3.37Å; Q221-Q223 VanDerWaalsContact C-N 3.26Å; Q221-Q223 PolarHBondContact O-N 2.96Å; Q221-E224 WeakPolarHBondContact O-CA 3.42Å; Q221-E224 WeakPolarHBondContact O-CB 3.45Å; Q221-E224 PolarHBondContact O-N 2.79Å; Q221-E225 PolarHBondContact O-N 2.94Å
222	L	90.9	Very high	90.7	Very high	99 Å²	99	61 Å²	61	52%	0.518	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-38	175.8	-70.5	169.2	0	0	0	112.3	E218 L219 W226	E218-L222 HydrophobicContact CG-CD1 4.43Å; E218-L222 WeakPolarHBondContact O-CG 3.26Å; E218-L222 PolarHBondContact O-N 3.48Å; L219-L222 PolarHBondContact O-N 2.79Å; L222-W226 WeakPolarHBondContact O-CB 3.45Å; L222-W226 PolarHBondContact O-N 2.97Å; L222-W226 VanDerWaalsContact O-N 3.11Å
223	Q	89.3	Confident	90.7	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-32.4	175.3	-169.6	56.9	39.2	0	0	112	M1 L219 A220 Q221 N227 F278	M1-Q223 HydrophobicContact CE-CG 4.08Å; L219-Q223 PolarHBondContact O-N 2.67Å; A220-Q223 PolarHBondContact O-N 3.14Å; Q221-Q223 VanDerWaalsContact C-N 3.26Å; Q221-Q223 PolarHBondContact O-N 2.96Å; Q223-N227 PolarHBondContact NE2-OD1 3.37Å; Q223-N227 VanDerWaalsContact O-CB 3.3Å; Q223-N227 WeakPolarHBondContact O-CB 3.41Å; Q223-N227 PolarHBondContact O-N 3.25Å; Q223-N227 PolarHBondContact O-ND2 2.85Å; Q223-F278 HydrophobicContact CB-CD2 3.82Å; Q223-F278 HydrophobicContact CB-CE2 3.72Å; Q223-F278 HydrophobicContact CB-CG 4.44Å; Q223-F278 HydrophobicContact CB-CZ 4.25Å; Q223-F278 HydrophobicContact CG-CD1 4.44Å; Q223-F278 HydrophobicContact CG-CD2 3.94Å; Q223-F278 HydrophobicContact CG-CE2 4.22Å; Q223-F278 HydrophobicContact CG-CG 4.07Å
224	E	91.1	Very high	90.6	Very high	51 Å²	51	61.4 Å²	61.4	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-48.1	170.8	175.9	137.1	-105.4	0	0	112.3	A2 V5 A220 Q221 W226 N227 C228	A2-E224 WeakPolarHBondContact CA-OE1 3.28Å; A2-E224 WeakPolarHBondContact CA-OE2 3.33Å; A2-E224 VanDerWaalsContact CB-OE1 3.23Å; A2-E224 WeakPolarHBondContact CB-OE1 3.39Å; A2-E224 PolarHBondContact N-OE1 3.48Å; V5-E224 HydrophobicContact CG2-CB 4.19Å; A220-E224 WeakPolarHBondContact O-CB 3.25Å; A220-E224 PolarHBondContact O-N 3.3Å; Q221-E224 WeakPolarHBondContact O-CA 3.42Å; Q221-E224 WeakPolarHBondContact O-CB 3.45Å; Q221-E224 PolarHBondContact O-N 2.79Å; E224-W226 VanDerWaalsContact C-N 3.32Å; E224-W226 PolarHBondContact O-N 2.92Å; E224-N227 CarbonylContact O-C 3.55Å; E224-N227 PolarHBondContact O-N 2.87Å; E224-N227 VanDerWaalsContact O-N 3.14Å; E224-C228 WeakPolarHBondContact O-CB 3.37Å; E224-C228 PolarHBondContact O-N 3.16Å; E224-C228 PolarHBondContact O-SG 3.45Å
225	E	90.9	Very high	90.6	Very high	130 Å²	130	64.1 Å²	64.1	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-56	-46.5	175.8	-70.6	-177.7	175	0	0	111.8	Q221 C228 H229	Q221-E225 PolarHBondContact O-N 2.94Å; E225-C228 PolarHBondContact O-N 2.83Å; E225-H229 PolarHBondContact O-N 2.89Å
226	W	91.4	Very high	90.7	Very high	77 Å²	77	62.7 Å²	62.7	29%	0.292	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176.4	-175.7	88.6	0	0	0	112.3	L222 E224 H229 N230 V270 F271 R274	L222-W226 WeakPolarHBondContact O-CB 3.45Å; L222-W226 PolarHBondContact O-N 2.97Å; L222-W226 VanDerWaalsContact O-N 3.11Å; E224-W226 VanDerWaalsContact C-N 3.32Å; E224-W226 PolarHBondContact O-N 2.92Å; W226-H229 PolarHBondContact O-N 3.31Å; W226-N230 VanDerWaalsContact CH2-ND2 3.29Å; W226-N230 WeakPolarHBondContact CH2-ND2 3.45Å; W226-N230 WeakPolarHBondContact O-CB 3.36Å; W226-N230 PolarHBondContact O-N 3.4Å; W226-V270 HydrophobicContact CH2-CG1 4.23Å; W226-V270 HydrophobicContact CZ2-CG1 4.15Å; W226-F271 HydrophobicContact CE3-CD1 4.46Å; W226-F271 HydrophobicContact CH2-CD1 4.18Å; W226-F271 HydrophobicContact CH2-CG 4.42Å; W226-F271 AromaticContact CZ3-CD1 3.58Å; W226-F271 HydrophobicContact CZ3-CD1 3.58Å; W226-F271 HydrophobicContact CZ3-CE1 4.13Å; W226-F271 HydrophobicContact CZ3-CG 4.22Å; W226-R274 HydrophobicContact CD2-CG 4.43Å; W226-R274 HydrophobicContact CE3-CG 4.15Å; W226-R274 HydrophobicContact CH2-CB 3.79Å; W226-R274 HydrophobicContact CH2-CG 3.87Å; W226-R274 HydrophobicContact CZ2-CB 4.37Å; W226-R274 HydrophobicContact CZ2-CG 4.2Å; W226-R274 HydrophobicContact CZ3-CB 4.04Å; W226-R274 HydrophobicContact CZ3-CG 3.85Å
227	N	89.1	Confident	90.8	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.118	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175	-75	-40	0	0	0	111.7	M1 Q223 E224 N230 N231 F271	M1-N227 WeakPolarHBondContact CG-ND2 3.4Å; Q223-N227 PolarHBondContact NE2-OD1 3.37Å; Q223-N227 VanDerWaalsContact O-CB 3.3Å; Q223-N227 WeakPolarHBondContact O-CB 3.41Å; Q223-N227 PolarHBondContact O-N 3.25Å; Q223-N227 PolarHBondContact O-ND2 2.85Å; E224-N227 CarbonylContact O-C 3.55Å; E224-N227 PolarHBondContact O-N 2.87Å; E224-N227 VanDerWaalsContact O-N 3.14Å; N227-N230 PolarHBondContact O-N 3.22Å; N227-N231 WeakPolarHBondContact O-CB 3.42Å; N227-N231 PolarHBondContact O-N 3.34Å; N227-N231 PolarHBondContact O-ND2 2.82Å; N227-F271 WeakPolarHBondContact OD1-CD1 3.17Å
228	C	90.6	Very high	90.9	Very high	77 Å²	77	64.2 Å²	64.2	52%	0.52	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175.9	-76.5	0	0	0	0	112	E224 E225 H232	E224-C228 WeakPolarHBondContact O-CB 3.37Å; E224-C228 PolarHBondContact O-N 3.16Å; E224-C228 PolarHBondContact O-SG 3.45Å; E225-C228 PolarHBondContact O-N 2.83Å; C228-H232 PolarHBondContact O-N 2.88Å
229	H	90.6	Very high	90.9	Very high	119 Å²	119	60.3 Å²	60.3	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-63.1	-48.9	173.4	-179	72.1	0	0	0	111.8	E225 W226 N231 H232 L233	E225-H229 PolarHBondContact O-N 2.89Å; W226-H229 PolarHBondContact O-N 3.31Å; H229-N231 PolarHBondContact O-N 3.41Å; H229-H232 VanDerWaalsContact O-CB 3.27Å; H229-H232 WeakPolarHBondContact O-CB 3.17Å; H229-H232 PolarHBondContact O-N 3.28Å; H229-H232 VanDerWaalsContact O-N 3.1Å; H229-L233 PolarHBondContact O-N 3.02Å
230	N	89.1	Confident	91	Very high	7 Å²	7	67.4 Å²	67.4	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-70.2	-33.3	-177.1	-163.1	7.7	0	0	0	112.3	W226 N227 H232 L233 V234 F271	W226-N230 VanDerWaalsContact CH2-ND2 3.29Å; W226-N230 WeakPolarHBondContact CH2-ND2 3.45Å; W226-N230 WeakPolarHBondContact O-CB 3.36Å; W226-N230 PolarHBondContact O-N 3.4Å; N227-N230 PolarHBondContact O-N 3.22Å; N230-H232 PolarHBondContact O-N 2.94Å; N230-L233 CarbonylContact O-C 3.25Å; N230-L233 WeakPolarHBondContact O-CA 3.11Å; N230-L233 WeakPolarHBondContact O-CB 3.26Å; N230-L233 PolarHBondContact O-N 3.49Å; N230-V234 WeakPolarHBondContact O-CG2 3.44Å; N230-V234 PolarHBondContact O-N 3.42Å; N230-F271 HydrophobicContact CB-CE1 3.67Å; N230-F271 HydrophobicContact CB-CE2 4.2Å; N230-F271 HydrophobicContact CB-CZ 3.45Å; N230-F271 VanDerWaalsContact CB-CZ 3.45Å; N230-F271 VanDerWaalsContact CG-CE2 3.49Å; N230-F271 VanDerWaalsContact ND2-CE2 3.31Å; N230-F271 WeakPolarHBondContact ND2-CE2 3.31Å; N230-F271 VanDerWaalsContact ND2-CZ 3.33Å; N230-F271 WeakPolarHBondContact ND2-CZ 3.31Å
231	N	90	Very high	91.1	Very high	90 Å²	90	70.6 Å²	70.6	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-22.8	170.6	-79.4	-24.7	0	0	0	113.4	N227 H229	N227-N231 WeakPolarHBondContact O-CB 3.42Å; N227-N231 PolarHBondContact O-N 3.34Å; N227-N231 PolarHBondContact O-ND2 2.82Å; H229-N231 PolarHBondContact O-N 3.41Å
232	H	90	Very high	91.1	Very high	101 Å²	101	76.1 Å²	76.1	47%	0.468	36%	0.364	S	S	.	.	H	α-helix	trans	-74.2	-46.9	167.4	-171.4	95	0	0	0	110.7	C228 H229 N230 V234 K235 Y236	C228-H232 PolarHBondContact O-N 2.88Å; H229-H232 VanDerWaalsContact O-CB 3.27Å; H229-H232 WeakPolarHBondContact O-CB 3.17Å; H229-H232 PolarHBondContact O-N 3.28Å; H229-H232 VanDerWaalsContact O-N 3.1Å; N230-H232 PolarHBondContact O-N 2.94Å; H232-V234 VanDerWaalsContact C-N 3.32Å; H232-V234 PolarHBondContact O-N 2.72Å; H232-K235 WeakPolarHBondContact O-CB 3.23Å; H232-K235 PolarHBondContact O-N 2.62Å; H232-Y236 AromaticContact CD2-CE2 3.68Å; H232-Y236 AromaticContact NE2-CE2 3.63Å; H232-Y236 AromaticContact NE2-CZ 3.86Å; H232-Y236 PolarHBondContact NE2-OH 2.54Å; H232-Y236 VanDerWaalsContact O-CD2 3.25Å; H232-Y236 WeakPolarHBondContact O-CD2 3.49Å; H232-Y236 WeakPolarHBondContact O-CE2 3.23Å
233	L	90.6	Very high	91.1	Very high	31 Å²	31	76.7 Å²	76.7	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-30.8	-179.4	-59.3	-179.4	0	0	0	114.3	H229 N230 K235 Y236 F246 L267	H229-L233 PolarHBondContact O-N 3.02Å; N230-L233 CarbonylContact O-C 3.25Å; N230-L233 WeakPolarHBondContact O-CA 3.11Å; N230-L233 WeakPolarHBondContact O-CB 3.26Å; N230-L233 PolarHBondContact O-N 3.49Å; L233-K235 PolarHBondContact O-N 2.91Å; L233-Y236 WeakPolarHBondContact O-CB 3.44Å; L233-Y236 PolarHBondContact O-N 2.78Å; L233-F246 HydrophobicContact CB-CD1 4.24Å; L233-F246 HydrophobicContact CB-CE1 4.17Å; L233-F246 HydrophobicContact CB-CZ 4.46Å; L233-F246 HydrophobicContact CD1-CD2 4.41Å; L233-F246 HydrophobicContact CD1-CE2 3.97Å; L233-F246 HydrophobicContact CD1-CZ 4.05Å; L233-F246 HydrophobicContact CD2-CB 4.39Å; L233-F246 HydrophobicContact CD2-CD1 4.49Å; L233-F246 HydrophobicContact CD2-CD2 3.94Å; L233-F246 HydrophobicContact CD2-CE2 4.34Å; L233-F246 HydrophobicContact CD2-CG 4.02Å; L233-L267 HydrophobicContact CB-CD1 4.21Å
234	V	90.8	Very high	91.3	Very high	38 Å²	38	80.4 Å²	80.4	23%	0.23	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.5	173.8	167.9	0	0	0	0	113	N230 H232 Y236 T264 L267 F271	N230-V234 WeakPolarHBondContact O-CG2 3.44Å; N230-V234 PolarHBondContact O-N 3.42Å; H232-V234 VanDerWaalsContact C-N 3.32Å; H232-V234 PolarHBondContact O-N 2.72Å; V234-Y236 PolarHBondContact O-N 2.89Å; V234-T264 HydrophobicContact CG1-CG2 3.89Å; V234-T264 WeakPolarHBondContact O-CG2 3.21Å; V234-L267 HydrophobicContact CG2-CB 4.41Å; V234-L267 HydrophobicContact CG2-CD1 4.02Å; V234-F271 HydrophobicContact CG2-CE2 3.55Å; V234-F271 HydrophobicContact CG2-CZ 3.96Å
235	K	91.3	Very high	91.4	Very high	135 Å²	135	82.7 Å²	82.7	59%	0.587	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	4.2	-180	-54	178.4	-174.5	-178.1	0	113.6	H232 L233	H232-K235 WeakPolarHBondContact O-CB 3.23Å; H232-K235 PolarHBondContact O-N 2.62Å; L233-K235 PolarHBondContact O-N 2.91Å
236	Y	93.4	Very high	91.5	Very high	62 Å²	62	79.4 Å²	79.4	24%	0.243	39%	0.387	C	S	.	.	S	Bend	trans	-132.1	154.2	-171.4	-60.5	-98	0	0	0	112.3	H232 L233 V234 F246 R248 S263	H232-Y236 AromaticContact CD2-CE2 3.68Å; H232-Y236 AromaticContact NE2-CE2 3.63Å; H232-Y236 AromaticContact NE2-CZ 3.86Å; H232-Y236 PolarHBondContact NE2-OH 2.54Å; H232-Y236 VanDerWaalsContact O-CD2 3.25Å; H232-Y236 WeakPolarHBondContact O-CD2 3.49Å; H232-Y236 WeakPolarHBondContact O-CE2 3.23Å; L233-Y236 WeakPolarHBondContact O-CB 3.44Å; L233-Y236 PolarHBondContact O-N 2.78Å; V234-Y236 PolarHBondContact O-N 2.89Å; Y236-F246 HydrophobicContact CG-CB 4.37Å; Y236-R248 HydrophobicContact CD1-CB 3.95Å; Y236-R248 HydrophobicContact CE1-CB 4.17Å; Y236-S263 PolarHBondContact O-OG 3.33Å
237	I	94.1	Very high	91.6	Very high	3 Å²	3	80.2 Å²	80.2	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.2	176.2	-55	-179	0	0	0	109.2	F246 Y247 P249 T256 L259 L260	I237-F246 WeakPolarHBondContact O-CA 3.32Å; I237-Y247 HydrophobicContact CB-CD1 4.07Å; I237-Y247 HydrophobicContact CB-CE1 3.65Å; I237-Y247 HydrophobicContact CD1-CE2 4.39Å; I237-Y247 HydrophobicContact CG2-CD1 4.44Å; I237-Y247 HydrophobicContact CG2-CE1 3.6Å; I237-Y247 PolarHBondContact N-O 2.86Å; I237-Y247 WeakPolarHBondContact O-CD1 3.3Å; I237-Y247 PolarHBondContact O-N 3.24Å; I237-P249 HydrophobicContact CD1-CG 3.6Å; I237-T256 WeakPolarHBondContact CD1-O 3.24Å; I237-L259 HydrophobicContact CD1-CB 4.22Å; I237-L259 HydrophobicContact CG2-CB 3.97Å; I237-L259 HydrophobicContact CG2-CD2 4.28Å; I237-L259 HydrophobicContact CG2-CG 4.44Å; I237-L260 HydrophobicContact CD1-CB 4.41Å; I237-L260 HydrophobicContact CG1-CB 4.04Å; I237-L260 HydrophobicContact CG1-CD1 3.93Å
238	R	93.2	Very high	91.8	Very high	64 Å²	64	87.2 Å²	87.2	24%	0.242	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.4	177.2	-168.7	172	113.2	-160	4.2	111	H244 F246 S263 K266	R238-H244 HydrophobicContact CG-CB 3.93Å; R238-F246 HydrophobicContact CB-CD1 4.04Å; R238-F246 HydrophobicContact CB-CE1 3.64Å; R238-F246 HydrophobicContact CB-CZ 4.34Å; R238-F246 HydrophobicContact CG-CD1 4.32Å; R238-F246 HydrophobicContact CG-CE1 3.65Å; R238-F246 HydrophobicContact CG-CZ 3.82Å; R238-S263 WeakPolarHBondContact CB-OG 3.37Å; R238-S263 PolarHBondContact N-OG 3.48Å; R238-K266 PolarHBondContact NH1-O 3.41Å
239	T	91.9	Very high	91.8	Very high	35 Å²	35	84.7 Å²	84.7	22%	0.215	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-70	155.7	174.8	60.6	0	0	0	0	112.5	T241 H244 I245 Y247	T239-T241 PolarHBondContact O-N 2.83Å; T239-T241 PolarHBondContact OG1-OG1 3.24Å; T239-H244 PolarHBondContact O-ND1 3.4Å; T239-I245 HydrophobicContact CG2-CB 3.98Å; T239-I245 PolarHBondContact N-O 3.47Å; T239-I245 PolarHBondContact OG1-N 3.43Å; T239-I245 PolarHBondContact OG1-O 2.8Å; T239-Y247 HydrophobicContact CG2-CD1 4.01Å; T239-Y247 HydrophobicContact CG2-CE1 4.04Å
240	K	91.5	Very high	91.9	Very high	189 Å²	189	83.2 Å²	83.2	82%	0.822	42%	0.415	S	S	*	.	S	Bend	trans	-75.6	-2.3	173.8	-60.9	-177	-179.6	-178.2	0	113.7
241	T	92.6	Very high	91.9	Very high	69 Å²	69	91.8 Å²	91.8	42%	0.423	45%	0.452	S	S	.	.	S	Bend	trans	-73.9	159.5	179.9	55.3	0	0	0	0	112.1	T239 P243 H244	T239-T241 PolarHBondContact O-N 2.83Å; T239-T241 PolarHBondContact OG1-OG1 3.24Å; T241-P243 CarbonylContact C-O 3.22Å; T241-P243 WeakPolarHBondContact CB-O 3.45Å; T241-P243 CarbonylContact O-C 3.58Å; T241-P243 VanDerWaalsContact O-C 3.25Å; T241-P243 VanDerWaalsContact O-O 3.08Å; T241-P243 PolarHBondContact OG1-O 3.28Å; T241-H244 WeakPolarHBondContact O-CA 3.35Å; T241-H244 PolarHBondContact O-CE1 2.98Å; T241-H244 PolarHBondContact O-N 2.83Å; T241-H244 PolarHBondContact O-ND1 3.16Å
242	K	90.6	Very high	91.8	Very high	194 Å²	194	92.2 Å²	92.2	84%	0.843	45%	0.452	S	S	*	.	S	Bend	trans	-115.8	118.8	161.9	-67	-174.7	179.2	-176.2	0	107.6
243	P	91.4	Very high	91.7	Very high	111 Å²	111	90.8 Å²	90.8	72%	0.721	45%	0.453	S	S	*	.	S	Bend	cis	-62.8	155.2	-2.7	29	-36.3	0	0	0	113.2	T241	T241-P243 CarbonylContact C-O 3.22Å; T241-P243 WeakPolarHBondContact CB-O 3.45Å; T241-P243 CarbonylContact O-C 3.58Å; T241-P243 VanDerWaalsContact O-C 3.25Å; T241-P243 VanDerWaalsContact O-O 3.08Å; T241-P243 PolarHBondContact OG1-O 3.28Å
244	H	92.3	Very high	91.7	Very high	83 Å²	83	93.6 Å²	93.6	38%	0.384	48%	0.475	S	S	.	.			trans	-72.4	132.6	171.5	-70	-53	0	0	0	109.6	R238 T239 T241 F246	R238-H244 HydrophobicContact CG-CB 3.93Å; T239-H244 PolarHBondContact O-ND1 3.4Å; T241-H244 WeakPolarHBondContact O-CA 3.35Å; T241-H244 PolarHBondContact O-CE1 2.98Å; T241-H244 PolarHBondContact O-N 2.83Å; T241-H244 PolarHBondContact O-ND1 3.16Å; H244-F246 HydrophobicContact CB-CE2 4.44Å
245	I	93.2	Very high	91.7	Very high	99 Å²	99	94.7 Å²	94.7	51%	0.508	49%	0.488	S	S	.	.			trans	-110.7	137.5	176.3	-58	173.2	0	0	0	107.3	T239	T239-I245 HydrophobicContact CG2-CB 3.98Å; T239-I245 PolarHBondContact N-O 3.47Å; T239-I245 PolarHBondContact OG1-N 3.43Å; T239-I245 PolarHBondContact OG1-O 2.8Å
246	F	93.3	Very high	91.7	Very high	62 Å²	62	89.5 Å²	89.5	27%	0.272	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	177.2	-67.5	-85.2	0	0	0	108.9	L233 Y236 I237 R238 H244 L267	L233-F246 HydrophobicContact CB-CD1 4.24Å; L233-F246 HydrophobicContact CB-CE1 4.17Å; L233-F246 HydrophobicContact CB-CZ 4.46Å; L233-F246 HydrophobicContact CD1-CD2 4.41Å; L233-F246 HydrophobicContact CD1-CE2 3.97Å; L233-F246 HydrophobicContact CD1-CZ 4.05Å; L233-F246 HydrophobicContact CD2-CB 4.39Å; L233-F246 HydrophobicContact CD2-CD1 4.49Å; L233-F246 HydrophobicContact CD2-CD2 3.94Å; L233-F246 HydrophobicContact CD2-CE2 4.34Å; L233-F246 HydrophobicContact CD2-CG 4.02Å; Y236-F246 HydrophobicContact CG-CB 4.37Å; I237-F246 WeakPolarHBondContact O-CA 3.32Å; R238-F246 HydrophobicContact CB-CD1 4.04Å; R238-F246 HydrophobicContact CB-CE1 3.64Å; R238-F246 HydrophobicContact CB-CZ 4.34Å; R238-F246 HydrophobicContact CG-CD1 4.32Å; R238-F246 HydrophobicContact CG-CE1 3.65Å; R238-F246 HydrophobicContact CG-CZ 3.82Å; H244-F246 HydrophobicContact CB-CE2 4.44Å; F246-L267 HydrophobicContact CE1-CD1 4.05Å; F246-L267 HydrophobicContact CE1-CD2 4Å; F246-L267 HydrophobicContact CE1-CG 4.44Å; F246-L267 HydrophobicContact CZ-CD2 4.08Å
247	Y	94.4	Very high	91.6	Very high	93 Å²	93	91.5 Å²	91.5	37%	0.365	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.2	-178.2	77	-79	0	0	0	111.9	I237 T239 P249	I237-Y247 HydrophobicContact CB-CD1 4.07Å; I237-Y247 HydrophobicContact CB-CE1 3.65Å; I237-Y247 HydrophobicContact CD1-CE2 4.39Å; I237-Y247 HydrophobicContact CG2-CD1 4.44Å; I237-Y247 HydrophobicContact CG2-CE1 3.6Å; I237-Y247 PolarHBondContact N-O 2.86Å; I237-Y247 WeakPolarHBondContact O-CD1 3.3Å; I237-Y247 PolarHBondContact O-N 3.24Å; T239-Y247 HydrophobicContact CG2-CD1 4.01Å; T239-Y247 HydrophobicContact CG2-CE1 4.04Å; Y247-P249 HydrophobicContact CE2-CG 4.07Å
248	R	92.5	Very high	91.6	Very high	170 Å²	170	98 Å²	98	64%	0.642	51%	0.507	S	S	*	.			trans	-119.3	123.1	173.8	-157.6	176.4	82.5	-171.5	6.1	109.3	Y236 M252	Y236-R248 HydrophobicContact CD1-CB 3.95Å; Y236-R248 HydrophobicContact CE1-CB 4.17Å; R248-M252 HydrophobicContact CG-CE 3.94Å
249	P	91.8	Very high	91.6	Very high	24 Å²	24	98.4 Å²	98.4	16%	0.156	51%	0.514	C	S	.	.			trans	-58.5	144.7	172.8	-24.1	33.6	0	0	0	112.1	I237 Y247 K251 M252 T256	I237-P249 HydrophobicContact CD1-CG 3.6Å; Y247-P249 HydrophobicContact CE2-CG 4.07Å; P249-K251 VanDerWaalsContact C-N 3.28Å; P249-K251 WeakPolarHBondContact CB-O 3.45Å; P249-K251 PolarHBondContact O-N 3.09Å; P249-M252 HydrophobicContact CB-SD 4.11Å; P249-M252 HydrophobicContact CG-SD 3.97Å; P249-T256 HydrophobicContact CB-CG2 4.32Å; P249-T256 HydrophobicContact CG-CG2 3.8Å
250	G	91.4	Very high	91.6	Very high	87 Å²	87	98.7 Å²	98.7	90%	0.897	51%	0.514	S	S	*	.	S	Bend	trans	-72.5	-20	174.1	0	0	0	0	0	114
251	K	89.6	Confident	91.8	Very high	188 Å²	188	94.3 Å²	94.3	82%	0.817	50%	0.496	S	S	*	.	S	Bend	trans	-138.9	135.3	168.4	-65.2	-174	178.8	-175.4	0	108.1	P249	P249-K251 VanDerWaalsContact C-N 3.28Å; P249-K251 WeakPolarHBondContact CB-O 3.45Å; P249-K251 PolarHBondContact O-N 3.09Å
252	M	87.1	Confident	91.8	Very high	99 Å²	99	95 Å²	95	49%	0.488	50%	0.495	S	S	.	.			trans	-87.1	125.9	174	-62.2	-60.3	-172.4	0	0	109.9	R248 P249 L260	R248-M252 HydrophobicContact CG-CE 3.94Å; P249-M252 HydrophobicContact CB-SD 4.11Å; P249-M252 HydrophobicContact CG-SD 3.97Å; M252-L260 HydrophobicContact CE-CD2 4.46Å
253	C	89.1	Confident	91.9	Very high	70 Å²	70	85.9 Å²	85.9	47%	0.473	46%	0.455	S	S	.	.			trans	-109.9	166.6	160.8	69.8	0	0	0	0	110.2	A255 T256 Q257	C253-A255 PolarHBondContact O-N 3.11Å; C253-A255 VanDerWaalsContact O-N 3.17Å; C253-T256 PolarHBondContact N-OG1 3.08Å; C253-T256 PolarHBondContact O-N 3.23Å; C253-T256 PolarHBondContact O-OG1 3.48Å; C253-T256 PolarHBondContact SG-OG1 3.06Å; C253-Q257 PolarHBondContact O-N 3.04Å
254	S	91	Very high	92	Very high	91 Å²	91	82.3 Å²	82.3	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-56.2	-32.9	-179.9	54.5	0	0	0	0	113.6	Q257 K258	S254-Q257 PolarHBondContact O-N 2.79Å; S254-K258 WeakPolarHBondContact O-CG 3.31Å; S254-K258 PolarHBondContact O-N 3.42Å; S254-K258 VanDerWaalsContact O-N 3.09Å
255	A	90.8	Very high	92	Very high	60 Å²	60	86.1 Å²	86.1	50%	0.496	45%	0.447	S	S	.	.	H	α-helix	trans	-69.3	-41.1	174.5	0	0	0	0	0	112.6	C253 L259	C253-A255 PolarHBondContact O-N 3.11Å; C253-A255 VanDerWaalsContact O-N 3.17Å; A255-L259 PolarHBondContact O-N 3.04Å; A255-L259 VanDerWaalsContact O-N 3.11Å
256	T	90.7	Very high	92	Very high	26 Å²	26	85.2 Å²	85.2	16%	0.16	44%	0.439	C	S	.	.	H	α-helix	trans	-71.4	-30.1	174.2	49.1	0	0	0	0	113	I237 P249 C253 L259 L260	I237-T256 WeakPolarHBondContact CD1-O 3.24Å; P249-T256 HydrophobicContact CB-CG2 4.32Å; P249-T256 HydrophobicContact CG-CG2 3.8Å; C253-T256 PolarHBondContact N-OG1 3.08Å; C253-T256 PolarHBondContact O-N 3.23Å; C253-T256 PolarHBondContact O-OG1 3.48Å; C253-T256 PolarHBondContact SG-OG1 3.06Å; T256-L259 WeakPolarHBondContact O-CB 3.21Å; T256-L259 PolarHBondContact O-N 2.86Å; T256-L260 PolarHBondContact O-N 3.04Å
257	Q	91.4	Very high	91.8	Very high	105 Å²	105	82.6 Å²	82.6	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-66.1	-45.8	174.7	-174.7	-178.2	-27	0	0	110.6	C253 S254 L259 L260 E261	C253-Q257 PolarHBondContact O-N 3.04Å; S254-Q257 PolarHBondContact O-N 2.79Å; Q257-L259 VanDerWaalsContact C-N 3.28Å; Q257-L259 PolarHBondContact O-N 2.66Å; Q257-L260 CarbonylContact O-C 3.59Å; Q257-L260 WeakPolarHBondContact O-CA 3.33Å; Q257-L260 WeakPolarHBondContact O-CB 3.38Å; Q257-L260 PolarHBondContact O-N 3.01Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.5Å; Q257-E261 PolarHBondContact NE2-OE1 2.77Å; Q257-E261 WeakPolarHBondContact O-CG 3.34Å; Q257-E261 PolarHBondContact O-N 2.81Å
258	K	93.5	Very high	91.7	Very high	138 Å²	138	81.5 Å²	81.5	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-57.9	-38.9	171	-71.8	179.3	178.8	-171.6	0	112.5	S254 L260 E261 E262	S254-K258 WeakPolarHBondContact O-CG 3.31Å; S254-K258 PolarHBondContact O-N 3.42Å; S254-K258 VanDerWaalsContact O-N 3.09Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.2Å; K258-E261 PolarHBondContact O-N 3.47Å; K258-E262 VanDerWaalsContact O-CB 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.25Å; K258-E262 PolarHBondContact O-N 2.85Å
259	L	93	Very high	91.7	Very high	73 Å²	73	75.9 Å²	75.9	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-66.2	-31.2	173.2	-106.8	68.5	0	0	0	113.3	I237 A255 T256 Q257 S263	I237-L259 HydrophobicContact CD1-CB 4.22Å; I237-L259 HydrophobicContact CG2-CB 3.97Å; I237-L259 HydrophobicContact CG2-CD2 4.28Å; I237-L259 HydrophobicContact CG2-CG 4.44Å; A255-L259 PolarHBondContact O-N 3.04Å; A255-L259 VanDerWaalsContact O-N 3.11Å; T256-L259 WeakPolarHBondContact O-CB 3.21Å; T256-L259 PolarHBondContact O-N 2.86Å; Q257-L259 VanDerWaalsContact C-N 3.28Å; Q257-L259 PolarHBondContact O-N 2.66Å; L259-S263 VanDerWaalsContact O-CB 3.29Å; L259-S263 WeakPolarHBondContact O-CB 3.5Å; L259-S263 PolarHBondContact O-N 3.29Å
260	L	93.4	Very high	91.6	Very high	42 Å²	42	77.1 Å²	77.1	22%	0.22	43%	0.425	C	S	.	.	H	α-helix	trans	-72.5	-44.6	173.5	-175.2	64.7	0	0	0	111	I237 M252 T256 Q257 K258 E262 S263 T264	I237-L260 HydrophobicContact CD1-CB 4.41Å; I237-L260 HydrophobicContact CG1-CB 4.04Å; I237-L260 HydrophobicContact CG1-CD1 3.93Å; M252-L260 HydrophobicContact CE-CD2 4.46Å; T256-L260 PolarHBondContact O-N 3.04Å; Q257-L260 CarbonylContact O-C 3.59Å; Q257-L260 WeakPolarHBondContact O-CA 3.33Å; Q257-L260 WeakPolarHBondContact O-CB 3.38Å; Q257-L260 PolarHBondContact O-N 3.01Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.2Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 3.2Å; L260-S263 CarbonylContact O-C 3.46Å; L260-S263 WeakPolarHBondContact O-CA 3.14Å; L260-S263 VanDerWaalsContact O-CB 3.25Å; L260-S263 WeakPolarHBondContact O-CB 3.23Å; L260-S263 PolarHBondContact O-N 2.9Å; L260-T264 WeakPolarHBondContact O-CG2 3.3Å; L260-T264 PolarHBondContact O-N 3.21Å; L260-T264 PolarHBondContact O-OG1 3.15Å
261	E	93.8	Very high	91.3	Very high	96 Å²	96	74.3 Å²	74.3	45%	0.449	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-40.5	174.1	-68.3	158.4	-175.4	0	0	111.6	Q257 K258 S263 T264 K265	Q257-E261 WeakPolarHBondContact CG-OE1 3.5Å; Q257-E261 PolarHBondContact NE2-OE1 2.77Å; Q257-E261 WeakPolarHBondContact O-CG 3.34Å; Q257-E261 PolarHBondContact O-N 2.81Å; K258-E261 PolarHBondContact O-N 3.47Å; E261-S263 VanDerWaalsContact C-N 3.29Å; E261-S263 PolarHBondContact O-N 2.97Å; E261-T264 PolarHBondContact O-OG1 3.09Å; E261-K265 VanDerWaalsContact O-CB 3.31Å; E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 PolarHBondContact O-N 3.06Å
262	E	93.4	Very high	91.2	Very high	83 Å²	83	70.2 Å²	70.2	39%	0.388	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-32.6	168.6	-90.8	-165.8	-119.6	0	0	113	K258 L260 K266	K258-E262 VanDerWaalsContact O-CB 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.25Å; K258-E262 PolarHBondContact O-N 2.85Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 3.2Å; E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 WeakPolarHBondContact O-CD 3.47Å; E262-K266 WeakPolarHBondContact O-CE 3.27Å; E262-K266 WeakPolarHBondContact O-CG 3.32Å; E262-K266 PolarHBondContact O-N 2.82Å; E262-K266 IonicContact OE2-NZ 3.37Å; E262-K266 PolarHBondContact OE2-NZ 3.03Å
263	S	93.1	Very high	91.4	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-74.6	-50.1	179.4	-175.5	0	0	0	0	110.9	Y236 R238 L259 L260 E261 K266 L267	Y236-S263 PolarHBondContact O-OG 3.33Å; R238-S263 WeakPolarHBondContact CB-OG 3.37Å; R238-S263 PolarHBondContact N-OG 3.48Å; L259-S263 VanDerWaalsContact O-CB 3.29Å; L259-S263 WeakPolarHBondContact O-CB 3.5Å; L259-S263 PolarHBondContact O-N 3.29Å; L260-S263 CarbonylContact O-C 3.46Å; L260-S263 WeakPolarHBondContact O-CA 3.14Å; L260-S263 VanDerWaalsContact O-CB 3.25Å; L260-S263 WeakPolarHBondContact O-CB 3.23Å; L260-S263 PolarHBondContact O-N 2.9Å; E261-S263 VanDerWaalsContact C-N 3.29Å; E261-S263 PolarHBondContact O-N 2.97Å; S263-K266 CarbonylContact O-C 3.58Å; S263-K266 PolarHBondContact O-N 3.19Å; S263-K266 VanDerWaalsContact O-N 3.16Å; S263-L267 PolarHBondContact O-N 3.31Å
264	T	92.7	Very high	91.3	Very high	36 Å²	36	74.5 Å²	74.5	22%	0.221	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-44.5	178.1	57.7	0	0	0	0	110.5	V234 L260 E261 K266 L267 N268	V234-T264 HydrophobicContact CG1-CG2 3.89Å; V234-T264 WeakPolarHBondContact O-CG2 3.21Å; L260-T264 WeakPolarHBondContact O-CG2 3.3Å; L260-T264 PolarHBondContact O-N 3.21Å; L260-T264 PolarHBondContact O-OG1 3.15Å; E261-T264 PolarHBondContact O-OG1 3.09Å; T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 3.03Å; T264-L267 CarbonylContact O-C 3.54Å; T264-L267 PolarHBondContact O-N 2.65Å; T264-N268 WeakPolarHBondContact O-CB 3.25Å; T264-N268 PolarHBondContact O-N 3.06Å; T264-N268 PolarHBondContact O-OD1 3.01Å; T264-N268 VanDerWaalsContact O-OD1 3.11Å
265	K	94	Very high	91	Very high	163 Å²	163	77 Å²	77	71%	0.709	38%	0.375	S	S	*	.	H	α-helix	trans	-57.5	-39.1	174	-173.1	169.4	-177.4	173.3	0	112.9	E261 L267 N268 A269	E261-K265 VanDerWaalsContact O-CB 3.31Å; E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 PolarHBondContact O-N 3.06Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-N268 PolarHBondContact O-N 3.23Å; K265-A269 PolarHBondContact O-N 2.86Å; K265-A269 VanDerWaalsContact O-N 3.09Å
266	K	91.5	Very high	90.9	Very high	80 Å²	80	78.6 Å²	78.6	35%	0.348	37%	0.371	S	S	.	.	H	α-helix	trans	-77.8	-13.9	177.5	-70.2	167.4	-160.7	146.4	0	114.2	R238 E262 S263 T264 V270	R238-K266 PolarHBondContact NH1-O 3.41Å; E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 WeakPolarHBondContact O-CD 3.47Å; E262-K266 WeakPolarHBondContact O-CE 3.27Å; E262-K266 WeakPolarHBondContact O-CG 3.32Å; E262-K266 PolarHBondContact O-N 2.82Å; E262-K266 IonicContact OE2-NZ 3.37Å; E262-K266 PolarHBondContact OE2-NZ 3.03Å; S263-K266 CarbonylContact O-C 3.58Å; S263-K266 PolarHBondContact O-N 3.19Å; S263-K266 VanDerWaalsContact O-N 3.16Å; T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 3.03Å; K266-V270 WeakPolarHBondContact O-CG2 3.35Å
267	L	90.8	Very high	90.8	Very high	8 Å²	8	79.6 Å²	79.6	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-87.7	-42.1	167	-70.4	175.6	0	0	0	110.4	L233 V234 F246 S263 T264 K265 A269 V270 F271	L233-L267 HydrophobicContact CB-CD1 4.21Å; V234-L267 HydrophobicContact CG2-CB 4.41Å; V234-L267 HydrophobicContact CG2-CD1 4.02Å; F246-L267 HydrophobicContact CE1-CD1 4.05Å; F246-L267 HydrophobicContact CE1-CD2 4Å; F246-L267 HydrophobicContact CE1-CG 4.44Å; F246-L267 HydrophobicContact CZ-CD2 4.08Å; S263-L267 PolarHBondContact O-N 3.31Å; T264-L267 CarbonylContact O-C 3.54Å; T264-L267 PolarHBondContact O-N 2.65Å; K265-L267 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 2.97Å; L267-V270 CarbonylContact O-C 3.59Å; L267-V270 WeakPolarHBondContact O-CA 3.4Å; L267-V270 WeakPolarHBondContact O-CB 3.49Å; L267-V270 PolarHBondContact O-N 3.49Å; L267-F271 HydrophobicContact CB-CD2 4.41Å; L267-F271 HydrophobicContact CB-CE2 4.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.47Å; L267-F271 PolarHBondContact O-N 2.88Å
268	N	91.3	Very high	90.4	Very high	70 Å²	70	75.8 Å²	75.8	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-57.4	-45.4	177.9	-69.6	10.6	0	0	0	111.8	T264 K265 V270 F271 E272	T264-N268 WeakPolarHBondContact O-CB 3.25Å; T264-N268 PolarHBondContact O-N 3.06Å; T264-N268 PolarHBondContact O-OD1 3.01Å; T264-N268 VanDerWaalsContact O-OD1 3.11Å; K265-N268 PolarHBondContact O-N 3.23Å; N268-V270 PolarHBondContact O-N 2.99Å; N268-F271 CarbonylContact O-C 3.6Å; N268-F271 WeakPolarHBondContact O-CA 3.46Å; N268-F271 WeakPolarHBondContact O-CB 3.29Å; N268-F271 PolarHBondContact O-N 3.13Å; N268-E272 WeakPolarHBondContact O-CB 3.43Å; N268-E272 WeakPolarHBondContact O-CG 3.24Å; N268-E272 PolarHBondContact O-N 3.42Å
269	A	92.3	Very high	90	Very high	51 Å²	51	71.8 Å²	71.8	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-56.5	-37	172.5	0	0	0	0	0	112.9	K265 L267 E272 E273	K265-A269 PolarHBondContact O-N 2.86Å; K265-A269 VanDerWaalsContact O-N 3.09Å; L267-A269 PolarHBondContact O-N 2.97Å; A269-E272 PolarHBondContact O-N 3.36Å; A269-E273 VanDerWaalsContact O-CB 3.29Å; A269-E273 WeakPolarHBondContact O-CB 3.48Å; A269-E273 PolarHBondContact O-N 2.79Å
270	V	89	Confident	89.7	Confident	50 Å²	50	74.9 Å²	74.9	30%	0.303	37%	0.369	S	S	.	.	H	α-helix	trans	-77.4	-28.2	176.8	177.6	0	0	0	0	111.8	W226 K266 L267 N268 R274	W226-V270 HydrophobicContact CH2-CG1 4.23Å; W226-V270 HydrophobicContact CZ2-CG1 4.15Å; K266-V270 WeakPolarHBondContact O-CG2 3.35Å; L267-V270 CarbonylContact O-C 3.59Å; L267-V270 WeakPolarHBondContact O-CA 3.4Å; L267-V270 WeakPolarHBondContact O-CB 3.49Å; L267-V270 PolarHBondContact O-N 3.49Å; N268-V270 PolarHBondContact O-N 2.99Å; V270-R274 WeakPolarHBondContact O-CB 3.39Å; V270-R274 PolarHBondContact O-N 2.96Å; V270-R274 VanDerWaalsContact O-N 3.14Å
271	F	86.4	Confident	89.3	Confident	29 Å²	29	77 Å²	77	13%	0.127	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-41.2	167.7	-78	-83.8	0	0	0	111.2	W226 N227 N230 V234 L267 N268 R275	W226-F271 HydrophobicContact CE3-CD1 4.46Å; W226-F271 HydrophobicContact CH2-CD1 4.18Å; W226-F271 HydrophobicContact CH2-CG 4.42Å; W226-F271 AromaticContact CZ3-CD1 3.58Å; W226-F271 HydrophobicContact CZ3-CD1 3.58Å; W226-F271 HydrophobicContact CZ3-CE1 4.13Å; W226-F271 HydrophobicContact CZ3-CG 4.22Å; N227-F271 WeakPolarHBondContact OD1-CD1 3.17Å; N230-F271 HydrophobicContact CB-CE1 3.67Å; N230-F271 HydrophobicContact CB-CE2 4.2Å; N230-F271 HydrophobicContact CB-CZ 3.45Å; N230-F271 VanDerWaalsContact CB-CZ 3.45Å; N230-F271 VanDerWaalsContact CG-CE2 3.49Å; N230-F271 VanDerWaalsContact ND2-CE2 3.31Å; N230-F271 WeakPolarHBondContact ND2-CE2 3.31Å; N230-F271 VanDerWaalsContact ND2-CZ 3.33Å; N230-F271 WeakPolarHBondContact ND2-CZ 3.31Å; V234-F271 HydrophobicContact CG2-CE2 3.55Å; V234-F271 HydrophobicContact CG2-CZ 3.96Å; L267-F271 HydrophobicContact CB-CD2 4.41Å; L267-F271 HydrophobicContact CB-CE2 4.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.47Å; L267-F271 PolarHBondContact O-N 2.88Å; N268-F271 CarbonylContact O-C 3.6Å; N268-F271 WeakPolarHBondContact O-CA 3.46Å; N268-F271 WeakPolarHBondContact O-CB 3.29Å; N268-F271 PolarHBondContact O-N 3.13Å; F271-R275 WeakPolarHBondContact O-CB 3.22Å; F271-R275 PolarHBondContact O-N 3.47Å
272	E	88.1	Confident	88.8	Confident	102 Å²	102	74 Å²	74	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-56.3	-178.6	-73.1	159.5	169.4	0	0	110.6	N268 A269 R274 R275 E276	N268-E272 WeakPolarHBondContact O-CB 3.43Å; N268-E272 WeakPolarHBondContact O-CG 3.24Å; N268-E272 PolarHBondContact O-N 3.42Å; A269-E272 PolarHBondContact O-N 3.36Å; E272-R274 VanDerWaalsContact C-N 3.27Å; E272-R274 PolarHBondContact O-N 3.11Å; E272-R275 WeakPolarHBondContact O-CB 3.21Å; E272-R275 PolarHBondContact O-N 2.89Å; E272-E276 PolarHBondContact O-N 3.45Å
273	E	90.6	Very high	88.4	Confident	131 Å²	131	73.2 Å²	73.2	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-48.5	-48	171.5	-179.1	-164.6	163.7	0	0	111.7	A269 E276 A277	A269-E273 VanDerWaalsContact O-CB 3.29Å; A269-E273 WeakPolarHBondContact O-CB 3.48Å; A269-E273 PolarHBondContact O-N 2.79Å; E273-E276 PolarHBondContact O-N 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.32Å; E273-A277 PolarHBondContact O-N 2.83Å
274	R	87.4	Confident	88.2	Confident	127 Å²	127	80.5 Å²	80.5	48%	0.479	40%	0.4	S	S	.	.	H	α-helix	trans	-69.5	-33.6	-179.7	-176.9	57.9	-178.2	-168.6	0.5	113	W226 V270 E272 F278	W226-R274 HydrophobicContact CD2-CG 4.43Å; W226-R274 HydrophobicContact CE3-CG 4.15Å; W226-R274 HydrophobicContact CH2-CB 3.79Å; W226-R274 HydrophobicContact CH2-CG 3.87Å; W226-R274 HydrophobicContact CZ2-CB 4.37Å; W226-R274 HydrophobicContact CZ2-CG 4.2Å; W226-R274 HydrophobicContact CZ3-CB 4.04Å; W226-R274 HydrophobicContact CZ3-CG 3.85Å; V270-R274 WeakPolarHBondContact O-CB 3.39Å; V270-R274 PolarHBondContact O-N 2.96Å; V270-R274 VanDerWaalsContact O-N 3.14Å; E272-R274 VanDerWaalsContact C-N 3.27Å; E272-R274 PolarHBondContact O-N 3.11Å; R274-F278 WeakPolarHBondContact O-CB 3.5Å; R274-F278 PolarHBondContact O-N 3.39Å
275	R	85.1	Confident	87.5	Confident	145 Å²	145	80.3 Å²	80.3	55%	0.547	40%	0.397	S	S	.	.	H	α-helix	trans	-72.6	-36.9	177.1	-179.4	-163.9	66.5	146.9	2.6	111.1	F271 E272 F278 A279	F271-R275 WeakPolarHBondContact O-CB 3.22Å; F271-R275 PolarHBondContact O-N 3.47Å; E272-R275 WeakPolarHBondContact O-CB 3.21Å; E272-R275 PolarHBondContact O-N 2.89Å; R275-F278 PolarHBondContact O-N 2.73Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.4Å
276	E	87.6	Confident	86.8	Confident	92 Å²	92	78 Å²	78	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-51.7	173.6	-82.3	133.4	-137.6	0	0	111	E272 E273 F278 A279 E280	E272-E276 PolarHBondContact O-N 3.45Å; E273-E276 PolarHBondContact O-N 3.26Å; E276-F278 PolarHBondContact O-N 3.21Å; E276-F278 VanDerWaalsContact O-N 3.14Å; E276-A279 PolarHBondContact O-N 3.38Å; E276-E280 WeakPolarHBondContact O-CG 3.3Å; E276-E280 PolarHBondContact O-N 2.95Å
277	A	87.9	Confident	86.2	Confident	47 Å²	47	78 Å²	78	39%	0.388	40%	0.399	S	S	.	.	H	α-helix	trans	-58.1	-30.1	173.2	0	0	0	0	0	113.3	E273 H281	E273-A277 WeakPolarHBondContact O-CB 3.32Å; E273-A277 PolarHBondContact O-N 2.83Å; A277-H281 WeakPolarHBondContact O-CB 3.47Å; A277-H281 PolarHBondContact O-N 2.99Å
278	F	83.5	Confident	85.4	Confident	26 Å²	26	86.1 Å²	86.1	11%	0.114	43%	0.429	C	S	.	.	H	α-helix	trans	-71.7	-42.9	172.5	175	-95.6	0	0	0	112.6	M1 L219 A220 Q223 R274 R275 E276 H281 L282	M1-F278 HydrophobicContact CE-CE1 4.05Å; L219-F278 HydrophobicContact CB-CE2 4.01Å; L219-F278 WeakPolarHBondContact O-CE2 3.19Å; A220-F278 HydrophobicContact CB-CZ 4.17Å; Q223-F278 HydrophobicContact CB-CD2 3.82Å; Q223-F278 HydrophobicContact CB-CE2 3.72Å; Q223-F278 HydrophobicContact CB-CG 4.44Å; Q223-F278 HydrophobicContact CB-CZ 4.25Å; Q223-F278 HydrophobicContact CG-CD1 4.44Å; Q223-F278 HydrophobicContact CG-CD2 3.94Å; Q223-F278 HydrophobicContact CG-CE2 4.22Å; Q223-F278 HydrophobicContact CG-CG 4.07Å; R274-F278 WeakPolarHBondContact O-CB 3.5Å; R274-F278 PolarHBondContact O-N 3.39Å; R275-F278 PolarHBondContact O-N 2.73Å; E276-F278 PolarHBondContact O-N 3.21Å; E276-F278 VanDerWaalsContact O-N 3.14Å; F278-H281 PolarHBondContact O-N 3.27Å; F278-L282 HydrophobicContact CD1-CD1 4.07Å; F278-L282 HydrophobicContact CE1-CD1 3.43Å; F278-L282 VanDerWaalsContact CE1-CD1 3.43Å; F278-L282 HydrophobicContact CE1-CG 4.15Å; F278-L282 HydrophobicContact CZ-CD1 3.79Å; F278-L282 HydrophobicContact CZ-CD2 4.47Å; F278-L282 HydrophobicContact CZ-CG 4.19Å; F278-L282 PolarHBondContact O-N 2.69Å
279	A	84.9	Confident	83.8	Confident	53 Å²	53	88.2 Å²	88.2	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-40.5	175.4	0	0	0	0	0	111.7	R275 E276 H281 L282 S283	R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.4Å; E276-A279 PolarHBondContact O-N 3.38Å; A279-H281 VanDerWaalsContact C-N 3.35Å; A279-L282 PolarHBondContact O-N 3Å; A279-S283 WeakPolarHBondContact O-CB 3.37Å; A279-S283 PolarHBondContact O-N 3.29Å
280	E	87.8	Confident	82.3	Confident	138 Å²	138	92.4 Å²	92.4	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-59.6	-43.2	169.9	-72.5	-178.8	-178.8	0	0	111.9	E276 L282 S283 K284	E276-E280 WeakPolarHBondContact O-CG 3.3Å; E276-E280 PolarHBondContact O-N 2.95Å; E280-L282 PolarHBondContact O-N 3.09Å; E280-S283 PolarHBondContact O-N 3.17Å; E280-K284 WeakPolarHBondContact O-CB 2.76Å; E280-K284 PolarHBondContact O-N 3.37Å
281	H	84.1	Confident	80.7	Confident	87 Å²	87	101.4 Å²	101.4	40%	0.403	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-37.7	178	-167.3	-92.9	0	0	0	112.4	L219 A277 F278 A279 M285	L219-H281 WeakPolarHBondContact CD1-ND1 3.47Å; A277-H281 WeakPolarHBondContact O-CB 3.47Å; A277-H281 PolarHBondContact O-N 2.99Å; F278-H281 PolarHBondContact O-N 3.27Å; A279-H281 VanDerWaalsContact C-N 3.35Å; H281-M285 WeakPolarHBondContact O-CG 3.32Å; H281-M285 PolarHBondContact O-N 2.82Å; H281-M285 VanDerWaalsContact O-N 3.1Å
282	L	84.1	Confident	78.8	Confident	33 Å²	33	106.6 Å²	106.6	17%	0.173	50%	0.504	C	S	.	.	H	α-helix	trans	-64.6	-49.1	171.2	-71.3	177	0	0	0	111.6	K216 L219 F278 A279 E280 K284 M285 E286	K216-L282 HydrophobicContact CB-CD2 4.29Å; K216-L282 HydrophobicContact CD-CD2 4.45Å; K216-L282 HydrophobicContact CG-CD2 3.83Å; L219-L282 HydrophobicContact CD1-CD2 4.44Å; F278-L282 HydrophobicContact CD1-CD1 4.07Å; F278-L282 HydrophobicContact CE1-CD1 3.43Å; F278-L282 VanDerWaalsContact CE1-CD1 3.43Å; F278-L282 HydrophobicContact CE1-CG 4.15Å; F278-L282 HydrophobicContact CZ-CD1 3.79Å; F278-L282 HydrophobicContact CZ-CD2 4.47Å; F278-L282 HydrophobicContact CZ-CG 4.19Å; F278-L282 PolarHBondContact O-N 2.69Å; A279-L282 PolarHBondContact O-N 3Å; E280-L282 PolarHBondContact O-N 3.09Å; L282-K284 VanDerWaalsContact C-N 3.29Å; L282-K284 PolarHBondContact O-N 3.44Å; L282-M285 WeakPolarHBondContact O-CA 3.33Å; L282-M285 WeakPolarHBondContact O-CB 3.31Å; L282-M285 PolarHBondContact O-N 3.43Å; L282-E286 WeakPolarHBondContact O-CG 3.3Å; L282-E286 PolarHBondContact O-N 2.79Å
283	S	85.3	Confident	77	Confident	66 Å²	66	105 Å²	105	46%	0.462	50%	0.503	S	S	.	.	H	α-helix	trans	-57.9	-40.6	176.5	177.6	0	0	0	0	111.9	A279 E280 M285 E286 S287	A279-S283 WeakPolarHBondContact O-CB 3.37Å; A279-S283 PolarHBondContact O-N 3.29Å; E280-S283 PolarHBondContact O-N 3.17Å; S283-M285 VanDerWaalsContact C-N 3.29Å; S283-M285 PolarHBondContact O-N 2.91Å; S283-E286 PolarHBondContact O-N 3.31Å; S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.34Å; S283-S287 PolarHBondContact O-N 3.15Å; S283-S287 PolarHBondContact O-OG 3.47Å
284	K	88.4	Confident	74.8	Confident	157 Å²	157	105 Å²	105	68%	0.683	51%	0.507	S	S	*	.	H	α-helix	trans	-68.8	-23.5	175.8	-167.8	165.7	-170.9	163.6	0	113.4	E280 L282 R288	E280-K284 WeakPolarHBondContact O-CB 2.76Å; E280-K284 PolarHBondContact O-N 3.37Å; L282-K284 VanDerWaalsContact C-N 3.29Å; L282-K284 PolarHBondContact O-N 3.44Å; K284-R288 WeakPolarHBondContact O-CB 3.34Å
285	M	77.6	Confident	72.8	Confident	32 Å²	32	109.8 Å²	109.8	16%	0.158	53%	0.525	C	S	.	.	H	α-helix	trans	-81.5	-33.1	171.3	-77	-62.4	-63.3	0	0	112.7	L212 Q215 H281 L282 S283	L212-M285 WeakPolarHBondContact CD1-O 3.41Å; Q215-M285 HydrophobicContact CB-CE 4.4Å; H281-M285 WeakPolarHBondContact O-CG 3.32Å; H281-M285 PolarHBondContact O-N 2.82Å; H281-M285 VanDerWaalsContact O-N 3.1Å; L282-M285 WeakPolarHBondContact O-CA 3.33Å; L282-M285 WeakPolarHBondContact O-CB 3.31Å; L282-M285 PolarHBondContact O-N 3.43Å; S283-M285 VanDerWaalsContact C-N 3.29Å; S283-M285 PolarHBondContact O-N 2.91Å
286	E	79.6	Confident	71	Confident	115 Å²	115	109.2 Å²	109.2	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-79.3	-46.5	178.4	-69.6	173.9	174.1	0	0	112.8	K216 L282 S283 R288	K216-E286 WeakPolarHBondContact CE-OE1 3.33Å; K216-E286 IonicContact NZ-OE1 3.32Å; K216-E286 PolarHBondContact NZ-OE1 3.35Å; L282-E286 WeakPolarHBondContact O-CG 3.3Å; L282-E286 PolarHBondContact O-N 2.79Å; S283-E286 PolarHBondContact O-N 3.31Å; E286-R288 VanDerWaalsContact C-N 3.26Å; E286-R288 PolarHBondContact O-N 2.9Å
287	S	77.9	Confident	69.2	Low	80 Å²	80	111.8 Å²	111.8	56%	0.559	55%	0.545	S	S	*	.	S	Bend	trans	-70.8	-17.6	179.5	58.9	0	0	0	0	113.9	S283 P289	S283-S287 VanDerWaalsContact O-CB 3.26Å; S283-S287 WeakPolarHBondContact O-CB 3.34Å; S283-S287 PolarHBondContact O-N 3.15Å; S283-S287 PolarHBondContact O-OG 3.47Å; S287-P289 WeakPolarHBondContact O-CD 3.36Å
288	R	75	Confident	66.7	Low	178 Å²	178	116.7 Å²	116.7	67%	0.672	56%	0.564	S	S	*	*	S	Bend	trans	-57.2	110.7	179.7	-175.3	178.2	-170.5	-175.4	5.3	109.7	K284 E286 R290	K284-R288 WeakPolarHBondContact O-CB 3.34Å; E286-R288 VanDerWaalsContact C-N 3.26Å; E286-R288 PolarHBondContact O-N 2.9Å; R288-R290 PolarHBondContact O-N 2.91Å
289	P	56.7	Low	64.8	Low	114 Å²	114	119 Å²	119	74%	0.74	60%	0.596	S	S	*	*			trans	-58.1	114.2	-169.2	-28.6	36.9	0	0	0	111.6	S287 R291	S287-P289 WeakPolarHBondContact O-CD 3.36Å; P289-R291 PolarHBondContact O-N 3.27Å
290	R	60.9	Low	62.6	Low	138 Å²	138	122.1 Å²	122.1	52%	0.521	61%	0.614	S	S	.	*			trans	-56.3	107	175.5	171.2	170.9	156.2	161.8	-12.3	107.8	T208 R288 Q292	T208-R290 PolarHBondContact OG1-NH1 3.3Å; R288-R290 PolarHBondContact O-N 2.91Å; R290-Q292 PolarHBondContact O-N 2.83Å
291	R	56.2	Low	60.1	Low	240 Å²	240	120.2 Å²	120.2	91%	0.906	62%	0.616	S	S	*	*			trans	-55.4	104	-174.2	-77.3	-175.4	169.6	-177	-3.5	109.8	P289	P289-R291 PolarHBondContact O-N 3.27Å
292	Q	46.6	Very low	57.9	Low	137 Å²	137	121 Å²	121	64%	0.64	64%	0.637	S	S	*	*			trans	-63.4	136.3	-173.9	-68.5	-68.3	12.4	0	0	110.5	R290 N294	R290-Q292 PolarHBondContact O-N 2.83Å; Q292-N294 PolarHBondContact O-N 3.41Å
293	P	49.9	Very low	55.8	Low	69 Å²	69	124.8 Å²	124.8	45%	0.448	67%	0.667	S	S	.	*			trans	-78.9	27.4	-172.8	34	-36.9	0	0	0	114.1	R295	P293-R295 PolarHBondContact O-N 2.66Å
294	N	43.3	Very low	53.5	Low	131 Å²	131	131.1 Å²	131.1	70%	0.701	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	21.9	-176.5	-69.2	1.8	0	0	0	114.5	Q292	Q292-N294 PolarHBondContact O-N 3.41Å
295	R	46	Very low	51.2	Low	228 Å²	228	132 Å²	132	86%	0.86	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-7.6	-172.5	-170.3	162.1	168.4	138.4	-3	114.3	P293	P293-R295 PolarHBondContact O-N 2.66Å
296	D	47.2	Very low	49.2	Very low	133 Å²	133	135.8 Å²	135.8	71%	0.711	71%	0.71	S	S	*	*	S	Bend	trans	-107.4	-7.4	-177.4	-64.3	-24.5	0	0	0	114
297	Q	50.5	Low	47	Very low	145 Å²	145	141.4 Å²	141.4	68%	0.678	73%	0.726	S	S	*	*	S	Bend	trans	-83.4	-30.3	-176.2	-68.3	-162.5	9.7	0	0	114.8	G299	Q297-G299 PolarHBondContact O-N 3.27Å
298	D	35.1	Very low	45.2	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-1	-177.1	-76.5	-31.4	0	0	0	115
299	G	42.7	Very low	43.6	Very low	75 Å²	75	142 Å²	142	77%	0.773	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-12.4	-174.7	0	0	0	0	0	116.6	Q297	Q297-G299 PolarHBondContact O-N 3.27Å
300	S	40.6	Very low	42.6	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	76%	0.755	S	S	*	*	S	Bend	trans	-143.9	25.1	-160.6	-164.6	0	0	0	0	116.9
301	S	35.1	Very low	41.3	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	77%	0.767	S	S	*	*			trans	-108.6	9.7	175.7	57.4	0	0	0	0	114.4	S303	S301-S303 PolarHBondContact O-N 3.49Å
302	A	37.2	Very low	40.5	Very low	102 Å²	102	140.9 Å²	140.9	84%	0.843	77%	0.766	S	S	*	*			trans	-73.4	44.3	178.2	0	0	0	0	0	113.9	R304	A302-R304 PolarHBondContact O-N 3.44Å
303	S	39.3	Very low	40.2	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	77%	0.774	S	S	*	*			trans	-74.9	108.9	168.7	-165.3	0	0	0	0	109.2	S301 M305	S301-S303 PolarHBondContact O-N 3.49Å; S303-M305 PolarHBondContact O-N 3.43Å
304	R	38.6	Very low	39.3	Very low	200 Å²	200	141.6 Å²	141.6	76%	0.755	79%	0.791	S	S	*	*			trans	-58.8	100.4	-179.6	173.9	-175.1	163.5	-163.4	-13.6	111.3	A302 D306	A302-R304 PolarHBondContact O-N 3.44Å; R304-D306 WeakPolarHBondContact CG-OD1 3.46Å; R304-D306 IonicContact CZ-OD1 2.69Å; R304-D306 IonicContact CZ-OD2 3.3Å; R304-D306 IonicContact NE-OD1 3.37Å; R304-D306 PolarHBondContact NE-OD1 2.83Å; R304-D306 IonicContact NE-OD2 3.59Å; R304-D306 PolarHBondContact NE-OD2 3.31Å; R304-D306 IonicContact NH2-OD1 2.7Å; R304-D306 PolarHBondContact NH2-OD1 2.85Å; R304-D306 IonicContact NH2-OD2 3.2Å; R304-D306 PolarHBondContact NH2-OD2 3.3Å
305	M	40.2	Very low	38.6	Very low	174 Å²	174	139.2 Å²	139.2	86%	0.857	80%	0.798	S	S	*	*			trans	-91.7	102.2	165.2	-167.2	66.7	167.9	0	0	108.8	S303 R307	S303-M305 PolarHBondContact O-N 3.43Å; M305-R307 PolarHBondContact O-N 3.34Å
306	D	34.8	Very low	37.9	Very low	112 Å²	112	137.5 Å²	137.5	60%	0.599	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.9	180	-73.3	-35.6	0	0	0	110.1	R304	R304-D306 WeakPolarHBondContact CG-OD1 3.46Å; R304-D306 IonicContact CZ-OD1 2.69Å; R304-D306 IonicContact CZ-OD2 3.3Å; R304-D306 IonicContact NE-OD1 3.37Å; R304-D306 PolarHBondContact NE-OD1 2.83Å; R304-D306 IonicContact NE-OD2 3.59Å; R304-D306 PolarHBondContact NE-OD2 3.31Å; R304-D306 IonicContact NH2-OD1 2.7Å; R304-D306 PolarHBondContact NH2-OD1 2.85Å; R304-D306 IonicContact NH2-OD2 3.2Å; R304-D306 PolarHBondContact NH2-OD2 3.3Å
307	R	34	Very low	37.1	Very low	233 Å²	233	137.5 Å²	137.5	88%	0.879	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-100	129.4	168.4	-79.8	-169.4	173.7	-146	-0.2	109.8	M305	M305-R307 PolarHBondContact O-N 3.34Å
308	P	40.2	Very low	36.2	Very low	128 Å²	128	139.6 Å²	139.6	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.2	154.3	174.5	28.8	-34	0	0	0	112
309	V	40.5	Very low	36.1	Very low	142 Å²	142	140.5 Å²	140.5	86%	0.861	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86	130.4	175.8	151	0	0	0	0	110.3
310	E	36.3	Very low	35.7	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	82%	0.816	S	S	*	*			trans	-145.6	153.3	156.6	-73.6	-154.2	142.9	0	0	112.2
311	G	32.4	Very low	35.1	Very low	75 Å²	75	154.5 Å²	154.5	77%	0.773	82%	0.822	S	S	*	*			trans	67.5	98.7	145	0	0	0	0	0	120.4
312	K	40.2	Very low	34.8	Very low	204 Å²	204	153.1 Å²	153.1	89%	0.887	82%	0.823	S	S	*	*			trans	-110.1	138	142.4	-73.3	179.3	-179.7	173.9	0	108.6
313	P	39.6	Very low	34.5	Very low	123 Å²	123	158 Å²	158	80%	0.799	83%	0.825	S	S	*	*				-123.2	141.9	112.6	34.6	-31	0	0	0	110.8
314	A	31.3	Very low	34.1	Very low	98 Å²	98	164.5 Å²	164.5	81%	0.81	83%	0.832	S	S	*	*			cis	84.3	65.2	40.6	0	0	0	0	0	115
315	G	29.7	Very low	33.7	Very low	81 Å²	81	157.9 Å²	157.9	84%	0.835	83%	0.827	S	S	*	*			trans	99.3	116.1	133.9	0	0	0	0	0	118.7
316	Q	29.8	Very low	33	Very low	192 Å²	192	158.4 Å²	158.4	90%	0.897	83%	0.827	S	S	*	*			trans	-142.8	152	141.4	-156.7	167.8	58.4	0	0	109.5
317	V	31.2	Very low	32.7	Very low	133 Å²	133	158.3 Å²	158.3	81%	0.806	84%	0.835	S	S	*	*			trans	-131.7	114.1	-177.3	174.8	0	0	0	0	108.8
318	E	31.3	Very low	32.4	Very low	190 Å²	190	157.8 Å²	157.8	89%	0.888	83%	0.833	S	S	*	*			trans	-137.6	174	164.2	-161	119.8	-126	0	0	110.4
319	K	34	Very low	32	Very low	169 Å²	169	161.6 Å²	161.6	74%	0.735	83%	0.831	S	S	*	*			trans	-153.5	137.9	-135.6	-151.9	173.6	-170.3	168.3	0	112.7
320	R	32.9	Very low	31.7	Very low	237 Å²	237	161.9 Å²	161.9	89%	0.894	82%	0.823	S	S	*	*			trans	72.9	158.6	177.7	-40.5	172.5	175.9	-160.3	-4.4	111.3
321	R	29.3	Very low	31.5	Very low	250 Å²	250	158 Å²	158	94%	0.943	81%	0.805	S	S	*	*			cis	-162	136.8	9.5	-172.8	-175.8	-178.4	-158.4	3.1	104.4
322	G	28.6	Very low	31.3	Very low	69 Å²	69	161.5 Å²	161.5	71%	0.711	81%	0.806	S	S	*	*			cis	130.1	135.3	25.5	0	0	0	0	0	109.3
323	K	31.5	Very low	30.9	Very low	206 Å²	206	155.8 Å²	155.8	90%	0.896	78%	0.782	S	S	*	*			trans	100.1	137	178.9	-73.4	-170.9	166.7	-173.3	0	118.9
324	R	30.6	Very low	30.5	Very low	248 Å²	248	156.8 Å²	156.8	94%	0.936	78%	0.781	S	S	*	*			trans	58	149.2	166.1	-73.7	-178.1	163.3	179.3	-7.6	116.5
325	G	28.8	Very low	30.6	Very low	62 Å²	62	160.2 Å²	160.2	64%	0.639	78%	0.78	S	S	*	*			cis	-151.6	154.6	-10.2	0	0	0	0	0	108.2
326	E	27	Very low	30.7	Very low	185 Å²	185	163.4 Å²	163.4	86%	0.864	78%	0.778	S	S	*	*				62.9	120.9	83.2	-171.2	170.4	-143.6	0	0	113.1
327	S	27.2	Very low	31	Very low	110 Å²	110	162.4 Å²	162.4	77%	0.769	77%	0.774	S	S	*	*			cis	-164.2	140.4	-16.1	52.8	0	0	0	0	109.9
328	R	29.1	Very low	31	Very low	222 Å²	222	163.2 Å²	163.2	84%	0.838	77%	0.773	S	S	*	*			trans	-149.4	114.3	163.3	-160	175.2	-171	-86.5	1.3	110.2	E330	R328-E330 IonicContact NH1-OE1 2.69Å; R328-E330 PolarHBondContact NH1-OE1 3.47Å
329	R	31.6	Very low	31	Very low	208 Å²	208	161 Å²	161	79%	0.785	77%	0.768	S	S	*	*			trans	-136.7	128.6	176.3	177.1	171.7	-176.9	160.1	2.5	108.6	E331	R329-E331 IonicContact CZ-OE1 2.84Å; R329-E331 IonicContact NE-OE1 3.8Å; R329-E331 PolarHBondContact NE-OE1 2.96Å; R329-E331 IonicContact NH2-OE1 2.72Å; R329-E331 PolarHBondContact NH2-OE1 3.37Å
330	E	34.4	Very low	30.9	Very low	148 Å²	148	160.9 Å²	160.9	69%	0.692	77%	0.769	S	S	*	*			trans	-84.1	152.7	169.9	-67.5	154	-175.8	0	0	109.5	R328	R328-E330 IonicContact NH1-OE1 2.69Å; R328-E330 PolarHBondContact NH1-OE1 3.47Å
331	E	30.2	Very low	30.8	Very low	108 Å²	108	158 Å²	158	51%	0.505	77%	0.766	S	S	.	*			trans	-176.6	133.3	144.8	-102.5	168	-107.7	0	0	109.2	R329 R640	R329-E331 IonicContact CZ-OE1 2.84Å; R329-E331 IonicContact NE-OE1 3.8Å; R329-E331 PolarHBondContact NE-OE1 2.96Å; R329-E331 IonicContact NH2-OE1 2.72Å; R329-E331 PolarHBondContact NH2-OE1 3.37Å; E331-R640 IonicContact OE2-CZ 3.26Å; E331-R640 VanDerWaalsContact OE2-CZ 3.26Å; E331-R640 IonicContact OE2-NH1 2.65Å; E331-R640 PolarHBondContact OE2-NH1 3.47Å; E331-R640 IonicContact OE2-NH2 2.96Å; E331-R640 PolarHBondContact OE2-NH2 2.84Å
332	D	29.7	Very low	31	Very low	148 Å²	148	153.1 Å²	153.1	79%	0.791	75%	0.754	S	S	*	*			trans	-79.5	162.1	176.3	-34.4	-99.6	0	0	0	111.9
333	E	31.3	Very low	31.1	Very low	84 Å²	84	160.4 Å²	160.4	39%	0.393	76%	0.76	S	S	.	*			trans	-168	131.3	152	-109	170.3	-136.5	0	0	111	K639 R640	E333-K639 IonicContact OE1-NZ 3.35Å; E333-K639 PolarHBondContact OE1-NZ 2.85Å; E333-K639 IonicContact OE2-NZ 3.03Å; E333-K639 PolarHBondContact OE2-NZ 3.41Å; E333-R640 IonicContact OE1-CZ 3.71Å; E333-R640 IonicContact OE1-NE 3.73Å; E333-R640 IonicContact OE1-NH2 2.86Å; E333-R640 PolarHBondContact OE1-NH2 3.49Å
334	D	31	Very low	31.1	Very low	144 Å²	144	158.7 Å²	158.7	77%	0.77	76%	0.755	S	S	*	*			trans	-87.5	-161.7	-177.7	-49.7	-93.2	0	0	0	114.2
335	E	34	Very low	31.2	Very low	171 Å²	171	156.4 Å²	156.4	80%	0.799	75%	0.752	S	S	*	*			trans	96.8	85.3	167.5	-58.1	176.6	171.5	0	0	118.6
336	D	31.3	Very low	31.2	Very low	148 Å²	148	161.7 Å²	161.7	79%	0.791	76%	0.76	S	S	*	*				63.3	138.9	115.7	-52.4	-23.5	0	0	0	125.8
337	E	35.7	Very low	31.2	Very low	171 Å²	171	158.4 Å²	158.4	80%	0.799	76%	0.757	S	S	*	*			trans	64.8	110.4	147.7	-69.5	176.3	175.2	0	0	123.8
338	D	31.3	Very low	31.3	Very low	149 Å²	149	158.4 Å²	158.4	80%	0.797	75%	0.749	S	S	*	*				82.5	147.4	125.8	-65	-2.9	0	0	0	126.8
339	D	30.7	Very low	31.5	Very low	145 Å²	145	156.8 Å²	156.8	78%	0.775	74%	0.743	S	S	*	*			trans	79	117.8	160.5	-83.7	-15.8	0	0	0	126
340	E	32.4	Very low	31.7	Very low	165 Å²	165	154 Å²	154	77%	0.771	74%	0.737	S	S	*	*			trans	76.4	132.7	135.5	-78.9	-171.1	165.2	0	0	126.9
341	E	31.7	Very low	31.5	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	74%	0.736	S	S	*	*			trans	83.8	152.9	145.7	-78	-158	160.8	0	0	124.7
342	E	32.3	Very low	31.5	Very low	147 Å²	147	153.3 Å²	153.3	69%	0.687	75%	0.749	S	S	*	*			trans	-74.9	153.1	-162.9	-53.4	176.6	155.6	0	0	115
343	R	31.8	Very low	31.4	Very low	223 Å²	223	150 Å²	150	84%	0.842	75%	0.75	S	S	*	*				-175.9	155.9	94.3	-100.6	177.7	-172.8	173.1	3.8	117
344	E	30.3	Very low	31.2	Very low	169 Å²	169	150 Å²	150	79%	0.79	77%	0.774	S	S	*	*			trans	-65.5	151.4	174.1	-45.1	167.3	136.3	0	0	112.2
345	K	33.8	Very low	31	Very low	200 Å²	200	146.7 Å²	146.7	87%	0.87	77%	0.773	S	S	*	*				-165.2	140.4	103	-106.7	171.7	-176.1	-177.8	0	116.6
346	E	29.4	Very low	30.7	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	78%	0.78	S	S	*	*			trans	-65.4	155.2	170.1	165.8	-171.9	-132.5	0	0	113.8
347	S	26.7	Very low	30.7	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	77%	0.773	S	S	*	*			trans	132.8	157.3	138.1	64.9	0	0	0	0	114.6
348	D	28.6	Very low	30.6	Very low	110 Å²	110	143.3 Å²	143.3	59%	0.588	78%	0.775	S	S	*	*			cis	-163	144.7	-45.5	-174.7	25.9	0	0	0	107.2
349	R	33.7	Very low	30.5	Very low	189 Å²	189	144.8 Å²	144.8	71%	0.713	78%	0.777	S	S	*	*			trans	47.3	152.3	153.4	-90.4	174.7	-169	114.3	-5.3	124.8
350	K	36.2	Very low	30.5	Very low	150 Å²	150	141.7 Å²	141.7	65%	0.652	78%	0.779	S	S	*	*			trans	76	144.8	140.3	-80.2	171.9	165.9	-80.5	0	118.1
351	E	29.9	Very low	30.4	Very low	144 Å²	144	141.3 Å²	141.3	67%	0.673	78%	0.777	S	S	*	*			cis	-161.8	164.3	-4.8	-140	160.1	171.3	0	0	114.6
352	A	30.2	Very low	30.6	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	77%	0.77	S	S	*	*			trans	68.4	147.2	143.2	0	0	0	0	0	123
353	G	26.7	Very low	30.6	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	77%	0.772	S	S	*	*			trans	88.3	119	168.9	0	0	0	0	0	114.6
354	G	27	Very low	30.4	Very low	86 Å²	86	133.4 Å²	133.4	89%	0.887	77%	0.767	S	S	*	*			cis	84.4	120.4	4.2	0	0	0	0	0	113.2
355	G	27.9	Very low	30.4	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	77%	0.77	S	S	*	*			cis	171	177.7	-7.2	0	0	0	0	0	113
356	D	27.8	Very low	30.3	Very low	175 Å²	175	128.8 Å²	128.8	94%	0.936	76%	0.76	S	S	*	*			trans	75	148.8	157.8	-151.1	20.2	0	0	0	121.3
357	G	30.8	Very low	30.4	Very low	62 Å²	62	129.9 Å²	129.9	64%	0.639	76%	0.762	S	S	*	*			trans	65.7	149.4	162.9	0	0	0	0	0	120.8
358	E	34.1	Very low	30.7	Very low	182 Å²	182	130.3 Å²	130.3	85%	0.85	75%	0.754	S	S	*	*			cis	-161.5	-170.9	-24.3	-140.2	175.9	-162.6	0	0	110.4
359	E	28.8	Very low	30.9	Very low	180 Å²	180	133.5 Å²	133.5	84%	0.841	77%	0.765	S	S	*	*			trans	-58.1	168	-163.9	-65.8	174.6	167.2	0	0	119.8
360	G	30	Very low	30.9	Very low	80 Å²	80	133.3 Å²	133.3	83%	0.825	77%	0.772	S	S	*	*			trans	-179.8	84.2	170.3	0	0	0	0	0	113.9
361	E	31.8	Very low	30.8	Very low	156 Å²	156	131.9 Å²	131.9	73%	0.729	78%	0.776	S	S	*	*			trans	-84.5	-178.3	-177.2	-51.9	-169.7	115.7	0	0	115.6
362	K	35.9	Very low	31	Very low	154 Å²	154	133 Å²	133	67%	0.67	78%	0.782	S	S	*	*			trans	80.2	145.3	151.9	-67.8	162.1	176.8	-78.2	0	117.7
363	E	31.6	Very low	31	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	78%	0.78	S	S	*	*			cis	-160.3	153.8	-4.9	-128.6	161.2	-140.8	0	0	113.4
364	G	27.9	Very low	31.2	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	78%	0.783	S	S	*	*			trans	85.5	160	146.4	0	0	0	0	0	120.6
365	L	30	Very low	31.3	Very low	163 Å²	163	143.2 Å²	143.2	85%	0.853	78%	0.777	S	S	*	*			cis	-162.7	121.7	-16.3	-164.2	73.1	0	0	0	113.5
366	V	31	Very low	31.3	Very low	109 Å²	109	147.3 Å²	147.3	66%	0.661	78%	0.778	S	S	*	*			trans	33.5	130.2	146	-174.1	0	0	0	0	122.3	I368	V366-I368 HydrophobicContact CG1-CD1 4.14Å; V366-I368 HydrophobicContact CG1-CG1 4.1Å
367	K	32.1	Very low	31.4	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	78%	0.777	S	S	*	*				175.5	147.7	125.2	-97.3	175.8	176.6	-175.4	0	111.9
368	I	33.6	Very low	31.4	Very low	123 Å²	123	150.9 Å²	150.9	63%	0.631	78%	0.78	S	S	*	*			cis	-170.4	173.1	-31.7	-121.6	170.8	0	0	0	107.9	V366	V366-I368 HydrophobicContact CG1-CD1 4.14Å; V366-I368 HydrophobicContact CG1-CG1 4.1Å
369	E	33	Very low	31.3	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	78%	0.777	S	S	*	*			trans	70.8	108.6	-178	-68.3	165.4	-169.7	0	0	114.4
370	E	32.2	Very low	31.3	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	78%	0.779	S	S	*	*			cis	80.9	158.4	7.5	-144.6	166	-115.7	0	0	117.1
371	V	34.3	Very low	31.3	Very low	120 Å²	120	155.7 Å²	155.7	73%	0.727	77%	0.772	S	S	*	*			trans	79.5	120.3	-174	-178.2	0	0	0	0	114.5
372	E	33.9	Very low	31	Very low	169 Å²	169	151.9 Å²	151.9	79%	0.79	78%	0.775	S	S	*	*			cis	-155.4	173.9	-2.4	-128.5	160.2	-142.3	0	0	113.1
373	E	31.8	Very low	30.5	Very low	164 Å²	164	150.1 Å²	150.1	77%	0.766	78%	0.781	S	S	*	*			trans	-43.3	159.6	-171	-66.4	171.1	163.6	0	0	120
374	E	30.3	Very low	30.3	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	78%	0.781	S	S	*	*			cis	86.1	172.6	35.6	-82.6	-111.4	138	0	0	116.3
375	V	28.5	Very low	30.2	Very low	123 Å²	123	155.9 Å²	155.9	75%	0.745	79%	0.787	S	S	*	*			trans	83.1	101.4	-177.7	-170.8	0	0	0	0	117.3
376	M	27.6	Very low	30.1	Very low	160 Å²	160	155.1 Å²	155.1	79%	0.788	78%	0.779	S	S	*	*				-176.8	89.5	99.1	-170.2	172.2	-173.4	0	0	112.2	V378	M376-V378 HydrophobicContact CE-CG2 3.63Å; M376-V378 HydrophobicContact CG-CG2 4.18Å
377	E	29.6	Very low	29.9	Very low	198 Å²	198	158.5 Å²	158.5	93%	0.925	79%	0.787	S	S	*	*			trans	-93.5	142.5	149.9	-73.4	-161.3	142.1	0	0	109.1
378	V	31.5	Very low	29.7	Very low	115 Å²	115	157.9 Å²	157.9	70%	0.697	79%	0.788	S	S	*	*			trans	-143.1	121.8	165.1	179.3	0	0	0	0	109.4	M376	M376-V378 HydrophobicContact CE-CG2 3.63Å; M376-V378 HydrophobicContact CG-CG2 4.18Å
379	R	32.7	Very low	29.3	Very low	211 Å²	211	159.4 Å²	159.4	80%	0.796	80%	0.797	S	S	*	*			trans	-126.4	125.1	156.2	174.6	-173.4	175.9	-161.8	1.5	107.3	E381	R379-E381 IonicContact CZ-OE1 3.78Å; R379-E381 VanDerWaalsContact CZ-OE1 3.26Å; R379-E381 IonicContact NE-OE1 3.33Å; R379-E381 PolarHBondContact NE-OE1 2.83Å; R379-E381 IonicContact NH2-OE1 3.44Å; R379-E381 PolarHBondContact NH2-OE1 3.1Å
380	E	28.7	Very low	28.9	Very low	186 Å²	186	155.1 Å²	155.1	87%	0.869	79%	0.787	S	S	*	*			trans	-145.7	150	157.7	-161.2	166.9	-139.1	0	0	108.7
381	E	28.4	Very low	28.8	Very low	146 Å²	146	152.6 Å²	152.6	68%	0.682	78%	0.775	S	S	*	*			trans	-117.9	146.8	-178.4	-72.9	171.2	-146.8	0	0	109.4	R379	R379-E381 IonicContact CZ-OE1 3.78Å; R379-E381 VanDerWaalsContact CZ-OE1 3.26Å; R379-E381 IonicContact NE-OE1 3.33Å; R379-E381 PolarHBondContact NE-OE1 2.83Å; R379-E381 IonicContact NH2-OE1 3.44Å; R379-E381 PolarHBondContact NH2-OE1 3.1Å
382	G	27.2	Very low	28.5	Very low	76 Å²	76	155 Å²	155	78%	0.784	78%	0.775	S	S	*	*			trans	-166.4	67.5	-169.1	0	0	0	0	0	115.3
383	S	25.4	Very low	28.2	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	77%	0.773	S	S	*	*			trans	22	117.4	152.5	-171.1	0	0	0	0	119.5
384	K	25.6	Very low	27.9	Very low	164 Å²	164	148.3 Å²	148.3	71%	0.713	78%	0.777	S	S	*	*				-158.1	129.4	111.9	-121.8	-165.2	177.8	-158.8	0	113.1	E386	K384-E386 WeakPolarHBondContact CE-OE1 3.46Å; K384-E386 IonicContact NZ-OE1 2.61Å; K384-E386 PolarHBondContact NZ-OE1 2.89Å; K384-E386 IonicContact NZ-OE2 3.96Å
385	E	27.1	Very low	27.6	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	77%	0.774	S	S	*	*			trans	-93.8	139.6	157	-64.2	-178.9	143.9	0	0	108.9
386	E	28.3	Very low	28.2	Very low	147 Å²	147	144 Å²	144	69%	0.687	77%	0.771	S	S	*	*			trans	-157.9	83.3	160.3	-112.7	160	-127.8	0	0	104.4	K384	K384-E386 WeakPolarHBondContact CE-OE1 3.46Å; K384-E386 IonicContact NZ-OE1 2.61Å; K384-E386 PolarHBondContact NZ-OE1 2.89Å; K384-E386 IonicContact NZ-OE2 3.96Å
387	Q	25.9	Very low	28.1	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	77%	0.772	S	S	*	*				83.6	122.1	84.1	-178.8	171.7	5.1	0	0	111.1
388	E	27.5	Very low	28	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	76%	0.761	S	S	*	*			trans	-59.8	148.9	170.7	-59.9	175.7	108.6	0	0	110.6
389	N	25.2	Very low	27.8	Very low	156 Å²	156	143 Å²	143	83%	0.834	77%	0.767	S	S	*	*			trans	-121.6	123.5	147.9	-159.6	27	0	0	0	110.1
390	S	26	Very low	27.5	Very low	88 Å²	88	141.7 Å²	141.7	62%	0.615	77%	0.77	S	S	*	*			trans	-72.9	178.7	162.9	54.5	0	0	0	0	108.5
391	E	28.5	Very low	27.3	Very low	130 Å²	130	141 Å²	141	61%	0.607	77%	0.769	S	S	*	*				-163.1	147	64.5	-73.2	-147.1	111.6	0	0	112.4
392	K	29	Very low	27.5	Very low	170 Å²	170	141.3 Å²	141.3	74%	0.739	77%	0.771	S	S	*	*			trans	64.3	150	139.8	-71.1	167.4	-172.4	150.1	0	118.8
393	A	26.6	Very low	27.5	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	78%	0.776	S	S	*	*			cis	-147	168.9	6.2	0	0	0	0	0	113.2
394	A	26.6	Very low	27.8	Very low	103 Å²	103	145.6 Å²	145.6	85%	0.851	77%	0.767	S	S	*	*			trans	78.1	122.2	149	0	0	0	0	0	120.6
395	S	24.2	Very low	28.1	Very low	115 Å²	115	145.7 Å²	145.7	80%	0.804	77%	0.767	S	S	*	*			trans	-70.7	176.9	156.2	-128.2	0	0	0	0	111.1
396	P	40.3	Very low	28.2	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	77%	0.767	S	S	*	*			cis	-137.2	176.5	4.5	43.7	-26.6	0	0	0	116.3
397	E	24.8	Very low	28.5	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	77%	0.766	S	S	*	*				36.2	154.1	129.2	-160.9	165.2	-159.7	0	0	123.3
398	S	27.6	Very low	28.7	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	76%	0.764	S	S	*	*			trans	71.9	121.2	176.6	75.8	0	0	0	0	114.1
399	E	27.8	Very low	28.8	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	76%	0.757	S	S	*	*				99.9	126	76.7	-82.6	-168.2	119.1	0	0	112.5
400	E	26.5	Very low	29.2	Very low	184 Å²	184	140 Å²	140	86%	0.86	75%	0.753	S	S	*	*			trans	37.9	155.8	150.2	-52.7	-143.2	144.4	0	0	124.9
401	M	25.6	Very low	29.6	Very low	171 Å²	171	142.8 Å²	142.8	84%	0.842	76%	0.756	S	S	*	*			trans	116.4	136	139.6	-155.9	164.8	-171.9	0	0	118.4
402	E	31.5	Very low	29.8	Very low	154 Å²	154	144 Å²	144	72%	0.72	77%	0.767	S	S	*	*			trans	-64.3	153.2	176	-42.4	164.6	114.8	0	0	112.8
403	V	27	Very low	30	Very low	146 Å²	146	144.6 Å²	144.6	89%	0.885	77%	0.769	S	S	*	*			trans	-142.2	110.5	145.3	172.5	0	0	0	0	108.8
404	E	31.7	Very low	30.3	Very low	135 Å²	135	147.1 Å²	147.1	63%	0.631	78%	0.775	S	S	*	*			trans	-67.5	167.4	157	-58.7	178.5	91.6	0	0	109.3
405	K	32.7	Very low	30.8	Very low	166 Å²	166	150.1 Å²	150.1	72%	0.722	77%	0.771	S	S	*	*				170.5	-166.6	61.5	-143	148.4	-166.4	153	0	111
406	E	29.7	Very low	31	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	77%	0.768	S	S	*	*			trans	93.6	135.6	165.6	-61.8	-156.5	168.5	0	0	118.3
407	D	34.3	Very low	30.8	Very low	124 Å²	124	151.6 Å²	151.6	66%	0.663	77%	0.769	S	S	*	*			cis	-163.8	170.9	-21.6	-175.5	32.8	0	0	0	110
408	K	30.6	Very low	31.2	Very low	187 Å²	187	154.5 Å²	154.5	81%	0.813	77%	0.772	S	S	*	*			trans	90.2	114.7	159.1	-54.8	172.5	-176.4	158.3	0	116.8
409	G	29.6	Very low	31.4	Very low	68 Å²	68	157.7 Å²	157.7	70%	0.701	77%	0.774	S	S	*	*			cis	151.5	160	5.9	0	0	0	0	0	112.4
410	K	33.6	Very low	31.7	Very low	173 Å²	173	156.1 Å²	156.1	75%	0.752	77%	0.767	S	S	*	*			trans	65.1	150.1	167.9	-68.8	-170.4	168.7	-77	0	117.8
411	E	34.5	Very low	31.9	Very low	145 Å²	145	155.1 Å²	155.1	68%	0.678	76%	0.762	S	S	*	*			cis	-169.8	135.4	-24.3	-116.8	158.8	-161	0	0	106.3
412	D	31.4	Very low	32.3	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	76%	0.756	S	S	*	*				169.4	172	114.8	-129	-42.5	0	0	0	112.9
413	K	33.8	Very low	32.2	Very low	182 Å²	182	150.8 Å²	150.8	79%	0.791	76%	0.76	S	S	*	*			trans	-92.7	164.1	-167.1	-58.5	177.4	177.2	-177.2	0	116.2
414	V	32.2	Very low	32.3	Very low	143 Å²	143	151.5 Å²	151.5	87%	0.867	75%	0.754	S	S	*	*				-170.1	146.3	121.2	141	0	0	0	0	111.2
415	E	36.6	Very low	32.3	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	75%	0.751	S	S	*	*			trans	-84.4	179.4	178	-56.8	154.3	91.8	0	0	111.5
416	T	30.2	Very low	32.2	Very low	120 Å²	120	149.3 Å²	149.3	74%	0.736	75%	0.753	S	S	*	*			cis	-154.1	137	18.7	6.8	0	0	0	0	108.2
417	D	35.3	Very low	32.3	Very low	129 Å²	129	148.6 Å²	148.6	69%	0.69	75%	0.749	S	S	*	*				73.7	116.2	89.5	-175.2	29.6	0	0	0	118
418	R	32.7	Very low	32.1	Very low	236 Å²	236	149.6 Å²	149.6	89%	0.891	75%	0.75	S	S	*	*			trans	-177.5	92.1	133.8	-101.3	167.4	-176.3	144.7	4.4	116.2
419	K	32.9	Very low	32.4	Very low	165 Å²	165	147.4 Å²	147.4	72%	0.717	74%	0.741	S	S	*	*				41.6	118.2	125	-165.5	163.3	-171.3	172	0	123.6
420	Q	34.3	Very low	32.7	Very low	146 Å²	146	150.2 Å²	150.2	68%	0.682	74%	0.744	S	S	*	*				38.2	156.3	127.8	-66.3	177.6	-72.6	0	0	122.5
421	E	30.5	Very low	33.2	Very low	162 Å²	162	147.4 Å²	147.4	76%	0.757	74%	0.744	S	S	*	*			cis	-171.9	-176.4	-11.4	179.6	165.9	151.6	0	0	109.2
422	S	34.4	Very low	32.9	Very low	103 Å²	103	148 Å²	148	72%	0.72	75%	0.751	S	S	*	*			trans	-116.4	156	-156.1	55.1	0	0	0	0	118.9
423	T	28.9	Very low	32.9	Very low	131 Å²	131	145.5 Å²	145.5	80%	0.804	74%	0.742	S	S	*	*			trans	-161.8	168.6	163.2	46	0	0	0	0	107.7
424	E	29.4	Very low	32.9	Very low	161 Å²	161	145.3 Å²	145.3	75%	0.752	74%	0.744	S	S	*	*			cis	-175.9	165.6	-15.9	-105.1	-157.8	83	0	0	107.2
425	T	30.6	Very low	32.8	Very low	93 Å²	93	144 Å²	144	57%	0.571	74%	0.741	S	S	*	*			cis	-160.1	156.7	-21.9	7.4	0	0	0	0	108.7
426	Q	30	Very low	32.5	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	74%	0.739	S	S	*	*			trans	65.1	148.8	160.5	-68.2	162.2	14.1	0	0	118.2
427	E	33.1	Very low	32.4	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	75%	0.749	S	S	*	*			cis	108.3	140.4	14.6	-67.9	159.1	79.5	0	0	113.9
428	E	30.3	Very low	32.1	Very low	145 Å²	145	143.3 Å²	143.3	68%	0.678	75%	0.751	S	S	*	*			cis	-133.3	-93.4	3.5	-135.2	-160	171.7	0	0	116.9
429	K	36.9	Very low	31.8	Very low	142 Å²	142	136.2 Å²	136.2	62%	0.617	74%	0.743	S	S	*	*			trans	-166.7	153	-131.4	170.4	-171.1	175.1	-170.4	0	119.5
430	T	34.6	Very low	31.6	Very low	127 Å²	127	135 Å²	135	78%	0.779	75%	0.749	S	S	*	*			trans	66.4	167.1	160.4	48.6	0	0	0	0	120.1
431	P	45.7	Very low	31.3	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	75%	0.753	S	S	*	*			cis	-133.3	150.5	5	39.5	-21.7	0	0	0	119.8
432	D	28.1	Very low	31.5	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	75%	0.754	S	S	*	*				38.4	160.5	128.2	-136.7	-31.6	0	0	0	125.7
433	V	31.1	Very low	31.5	Very low	104 Å²	104	132.7 Å²	132.7	63%	0.63	76%	0.761	S	S	*	*			trans	99.2	107	154.1	-165.3	0	0	0	0	121.7
434	Q	33.4	Very low	31.6	Very low	179 Å²	179	136.1 Å²	136.1	84%	0.836	77%	0.765	S	S	*	*			trans	64.5	125.1	143.7	-72.1	176.6	19.3	0	0	126.2
435	S	29.5	Very low	31.7	Very low	115 Å²	115	134.7 Å²	134.7	80%	0.804	77%	0.766	S	S	*	*				76.3	166.7	123.1	-153.2	0	0	0	0	121.4
436	C	30.5	Very low	32.1	Very low	111 Å²	111	135.9 Å²	135.9	75%	0.75	78%	0.776	S	S	*	*			trans	-115.3	147.3	-171.6	55.1	0	0	0	0	113.1
437	E	27.9	Very low	31.9	Very low	202 Å²	202	135.2 Å²	135.2	94%	0.944	78%	0.777	S	S	*	*				-155.8	-160.1	121.6	-135.6	-170.3	135.6	0	0	110.2
438	A	28.5	Very low	31.7	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	77%	0.77	S	S	*	*			trans	-120.4	176.5	-157.4	0	0	0	0	0	115.8
439	A	28.2	Very low	31.7	Very low	87 Å²	87	130.3 Å²	130.3	72%	0.719	77%	0.773	S	S	*	*			trans	114.6	108.3	140.5	0	0	0	0	0	119.1
440	V	27.8	Very low	31.5	Very low	141 Å²	141	131.1 Å²	131.1	86%	0.855	78%	0.784	S	S	*	*			trans	44	140.2	143.8	-99.1	0	0	0	0	123.1
441	S	28.6	Very low	31.3	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	79%	0.787	S	S	*	*			trans	75.8	136.6	147.8	-170.3	0	0	0	0	116.6
442	S	33.1	Very low	31.7	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	78%	0.779	S	S	*	*			cis	-148.5	157.1	0.8	-114.2	0	0	0	0	110.9
443	V	34.3	Very low	32.6	Very low	141 Å²	141	130.2 Å²	130.2	86%	0.855	77%	0.773	S	S	*	*			trans	-88.1	121.2	173.4	176.6	0	0	0	0	110.5
444	K	31.1	Very low	32.6	Very low	204 Å²	204	133.4 Å²	133.4	89%	0.887	78%	0.781	S	S	*	*			trans	-149.5	147.7	153.1	-131.2	176.4	-178.4	-174.6	0	111.3
445	V	32.9	Very low	32.5	Very low	130 Å²	130	130.3 Å²	130.3	79%	0.788	78%	0.779	S	S	*	*			trans	-83.3	142.3	-170.8	-177.1	0	0	0	0	109.9
446	P	39	Very low	32.5	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	78%	0.783	S	S	*	*			trans	-77.6	163	-179	33	-37.8	0	0	0	113
447	D	25.5	Very low	32.5	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	79%	0.786	S	S	*	*			trans	-140.6	111.3	162.5	-163.7	10.7	0	0	0	111.3
448	S	29.5	Very low	32.7	Very low	90 Å²	90	127.7 Å²	127.7	63%	0.629	78%	0.783	S	S	*	*			trans	44.6	138.2	146.3	-46.6	0	0	0	0	125
449	T	29.4	Very low	32.8	Very low	120 Å²	120	127.5 Å²	127.5	74%	0.736	79%	0.789	S	S	*	*			trans	92.7	130.5	136	26.1	0	0	0	0	123.8
450	D	32.8	Very low	33	Very low	158 Å²	158	131.9 Å²	131.9	85%	0.845	80%	0.795	S	S	*	*			trans	85.6	126.1	146.6	-58.3	-31.5	0	0	0	124.2
451	E	30.4	Very low	34.3	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	79%	0.788	S	S	*	*			trans	-108.2	178.9	174.2	-116.4	-149.3	136	0	0	110.1
452	P	54.2	Low	34.5	Very low	88 Å²	88	129 Å²	129	57%	0.571	78%	0.784	S	S	*	*			cis	-115.8	-86.4	-30.5	23.4	-1.7	0	0	0	111.7
453	P	47.2	Very low	34.5	Very low	110 Å²	110	128.2 Å²	128.2	71%	0.714	78%	0.784	S	S	*	*			cis	-119.2	121.9	-21.8	31	-10.7	0	0	0	116.1
454	Q	31.8	Very low	34.5	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	78%	0.783	S	S	*	*			trans	22	125.2	140.1	-55.1	177.5	2.3	0	0	122.4
455	S	30.3	Very low	34.8	Very low	115 Å²	115	125.3 Å²	125.3	80%	0.804	78%	0.775	S	S	*	*			trans	179.1	135.4	132.6	29.8	0	0	0	0	109.3
456	L	28.7	Very low	35.6	Very low	169 Å²	169	125.1 Å²	125.1	89%	0.885	78%	0.776	S	S	*	*			cis	98.7	88.1	36.4	-75.9	179.3	0	0	0	114.9
457	A	30.6	Very low	35.2	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	77%	0.774	S	S	*	*			trans	-173	129.2	146.9	0	0	0	0	0	107.7
458	A	32.5	Very low	35.5	Very low	107 Å²	107	122.8 Å²	122.8	88%	0.884	78%	0.779	S	S	*	*			cis	79.5	108.7	33.8	0	0	0	0	0	114
459	G	31.6	Very low	35.7	Very low	84 Å²	84	127.6 Å²	127.6	87%	0.866	79%	0.792	S	S	*	*			trans	167.6	71.4	-179.2	0	0	0	0	0	116
460	E	31.7	Very low	35.7	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	80%	0.797	S	S	*	*			trans	-87.3	178	159.2	-119.5	-143.7	106.6	0	0	109.6
461	P	54.8	Low	35.7	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	80%	0.796	S	S	*	*			cis	-141.7	-174.6	17.8	43.2	-23.7	0	0	0	118.2
462	A	33.3	Very low	35.9	Very low	81 Å²	81	122.4 Å²	122.4	67%	0.669	79%	0.794	S	S	*	*			trans	90	99.9	138.4	0	0	0	0	0	122.9
463	A	33.2	Very low	35.7	Very low	94 Å²	94	123.8 Å²	123.8	78%	0.777	80%	0.802	S	S	*	*				106.8	146.1	112.5	0	0	0	0	0	122.4
464	Q	34.9	Very low	34.8	Very low	181 Å²	181	123.6 Å²	123.6	85%	0.846	80%	0.803	S	S	*	*			trans	84.5	80.6	164.5	-52.9	-167.1	21.6	0	0	120.8
465	S	36.9	Very low	34.8	Very low	103 Å²	103	124.8 Å²	124.8	72%	0.72	81%	0.809	S	S	*	*				37.7	159.9	108.4	65.6	0	0	0	0	122.6
466	P	49.6	Very low	34.8	Very low	125 Å²	125	128 Å²	128	81%	0.812	81%	0.811	S	S	*	*			cis	-144.1	176.5	-34.6	39.7	-22.3	0	0	0	115.6
467	G	29.9	Very low	35.8	Very low	70 Å²	70	124.3 Å²	124.3	72%	0.722	80%	0.798	S	S	*	*			trans	90.6	154.1	151.2	0	0	0	0	0	117.7
468	T	33.2	Very low	35.8	Very low	147 Å²	147	127.3 Å²	127.3	90%	0.902	80%	0.795	S	S	*	*			cis	-157.1	153.9	-7.5	-19.1	0	0	0	0	110.2
469	E	33.4	Very low	35.6	Very low	191 Å²	191	128.4 Å²	128.4	89%	0.893	79%	0.791	S	S	*	*			trans	-99.2	176.7	-173.1	-66.2	-173.8	123	0	0	115.2
470	T	29.7	Very low	35.5	Very low	138 Å²	138	128.8 Å²	128.8	85%	0.847	79%	0.786	S	S	*	*			trans	-74.9	149.4	-179	52.2	0	0	0	0	114.8
471	A	31.8	Very low	35.5	Very low	98 Å²	98	125.8 Å²	125.8	81%	0.81	79%	0.785	S	S	*	*				-176.7	160	129.7	0	0	0	0	0	113.2
472	S	34.3	Very low	34.4	Very low	114 Å²	114	124.8 Å²	124.8	80%	0.797	79%	0.786	S	S	*	*			trans	-123.6	166.4	161	-42.7	0	0	0	0	107.4
473	P	49.4	Very low	34.3	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	79%	0.792	S	S	*	*				-156.7	168.6	70.5	41.9	-21.2	0	0	0	118.9
474	S	28.5	Very low	35.2	Very low	106 Å²	106	126.2 Å²	126.2	74%	0.741	79%	0.789	S	S	*	*			trans	68.2	137	140.1	-71.5	0	0	0	0	125.4
475	Q	33.3	Very low	34.9	Very low	197 Å²	197	123.4 Å²	123.4	92%	0.921	78%	0.784	S	S	*	*			trans	93.5	159.2	148.3	-76.4	176.7	6.9	0	0	121.8
476	E	30	Very low	34.9	Very low	181 Å²	181	127.2 Å²	127.2	85%	0.846	79%	0.79	S	S	*	*			trans	-111.7	-168	-152.1	-113.8	-170.8	121.1	0	0	111.6
477	P	48.8	Very low	34	Very low	93 Å²	93	128.6 Å²	128.6	60%	0.604	79%	0.791	S	S	*	*			cis	-137.5	-167	-7	21.8	5.7	0	0	0	115.5
478	Q	31.7	Very low	35	Very low	160 Å²	160	130.4 Å²	130.4	75%	0.748	79%	0.79	S	S	*	*			trans	104.4	127.6	144.5	-55.8	-161	4.7	0	0	122.7
479	T	27.4	Very low	34.8	Very low	129 Å²	129	129.9 Å²	129.9	79%	0.791	79%	0.787	S	S	*	*			trans	66.6	149.1	144.4	53.2	0	0	0	0	120.9
480	A	30.8	Very low	34.8	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	78%	0.782	S	S	*	*			cis	-167.3	176.1	-11.7	0	0	0	0	0	112.6
481	S	30.5	Very low	35.7	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	78%	0.78	S	S	*	*			trans	92.3	103.1	148	-154.1	0	0	0	0	122.9
482	A	31.8	Very low	35.7	Very low	89 Å²	89	125 Å²	125	74%	0.736	78%	0.775	S	S	*	*			trans	26.5	118.5	136.9	0	0	0	0	0	124.2
483	A	32.1	Very low	35.6	Very low	96 Å²	96	129.1 Å²	129.1	79%	0.793	78%	0.782	S	S	*	*				45.6	167.6	111.4	0	0	0	0	0	122.1
484	P	51.3	Low	34.8	Very low	109 Å²	109	131.2 Å²	131.2	71%	0.708	79%	0.787	S	S	*	*			cis	-140.2	177.7	1.9	37.4	-15.8	0	0	0	118.3
485	T	29.2	Very low	35.3	Very low	122 Å²	122	131.1 Å²	131.1	75%	0.748	79%	0.786	S	S	*	*			trans	77.2	133.3	143.4	36.4	0	0	0	0	125.8
486	Q	36.2	Very low	35.1	Very low	182 Å²	182	130.6 Å²	130.6	85%	0.85	79%	0.786	S	S	*	*			trans	107.3	124.8	146.5	-54.3	-130.2	-29.2	0	0	120.5
487	D	31	Very low	35.4	Very low	155 Å²	155	125.9 Å²	125.9	83%	0.829	78%	0.778	S	S	*	*			trans	-76.6	-176	175.1	-70.5	-74.6	0	0	0	113.3
488	P	49.8	Very low	35.5	Very low	107 Å²	107	126.6 Å²	126.6	70%	0.695	78%	0.783	S	S	*	*			cis	-139.2	162.8	8.2	41.7	-24	0	0	0	118.2
489	T	29.6	Very low	35.4	Very low	137 Å²	137	127.5 Å²	127.5	84%	0.84	79%	0.787	S	S	*	*				-176.2	150.4	115.6	21.8	0	0	0	0	113.4
490	S	33.6	Very low	35.7	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	79%	0.789	S	S	*	*			trans	-147.2	175.6	175.5	-47.6	0	0	0	0	106.7
491	P	48.8	Very low	35.6	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	79%	0.786	S	S	*	*			cis	-134.6	-154.3	14.1	46.9	-27.6	0	0	0	111.2
492	A	31.2	Very low	35.5	Very low	85 Å²	85	128.7 Å²	128.7	70%	0.702	79%	0.789	S	S	*	*			cis	-153.8	146.8	-2.8	0	0	0	0	0	109.8
493	Q	31.9	Very low	36	Very low	202 Å²	202	133.6 Å²	133.6	94%	0.944	80%	0.796	S	S	*	*				-152.1	136.3	127.6	-76.1	-149.1	-42.1	0	0	107
494	D	32.5	Very low	35.8	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	80%	0.797	S	S	*	*			trans	-140.8	163.9	-173.6	-154.9	-5.9	0	0	0	111.4
495	S	40.7	Very low	35.4	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	80%	0.795	S	S	*	*			trans	-106.7	167.7	-168.1	-52.5	0	0	0	0	112.6
496	M	29	Very low	35.3	Very low	186 Å²	186	136 Å²	136	92%	0.916	80%	0.798	S	S	*	*			trans	-145.6	140.5	153	-76.8	-150.3	77.4	0	0	112.1
497	A	34.9	Very low	35	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	80%	0.796	S	S	*	*			trans	-93.8	-168.2	161.5	0	0	0	0	0	109.9
498	P	50.5	Low	35.1	Very low	109 Å²	109	133.2 Å²	133.2	71%	0.708	79%	0.789	S	S	*	*				-156.5	147.3	91.4	38.7	-18.6	0	0	0	119.4
499	E	30.1	Very low	34.2	Very low	179 Å²	179	133.1 Å²	133.1	84%	0.836	78%	0.782	S	S	*	*				59.3	160.1	127.4	-58.4	-172.7	130.5	0	0	126.9
500	S	34	Very low	34.4	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	78%	0.778	S	S	*	*			trans	88.6	142.1	157.5	79.3	0	0	0	0	118.8
501	S	28	Very low	34.2	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	77%	0.773	S	S	*	*			cis	-162	160.7	-8.8	55.5	0	0	0	0	114.8
502	V	30.3	Very low	33.4	Very low	142 Å²	142	136 Å²	136	86%	0.861	77%	0.77	S	S	*	*			trans	58.1	151.2	160.3	-84.3	0	0	0	0	123.8
503	Q	40.6	Very low	33.3	Very low	191 Å²	191	138.1 Å²	138.1	89%	0.893	77%	0.766	S	S	*	*			trans	-135.4	161.7	163.9	-66.2	178.8	-18	0	0	108.3
504	D	29.7	Very low	33.2	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	76%	0.755	S	S	*	*			trans	-154	162.1	144.2	-150.1	-12.5	0	0	0	112.1
505	S	41	Very low	33	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	75%	0.751	S	S	*	*			trans	-44.1	164.4	-176.3	-47.5	0	0	0	0	116.6
506	T	28	Very low	32.5	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	74%	0.744	S	S	*	*			cis	-152.6	173.3	35.8	65.3	0	0	0	0	111.1
507	V	30.4	Very low	32.5	Very low	132 Å²	132	135 Å²	135	80%	0.8	73%	0.73	S	S	*	*			cis	-154.3	-172.8	8.1	90.1	0	0	0	0	111.3
508	E	32.8	Very low	32.3	Very low	146 Å²	146	138 Å²	138	68%	0.682	73%	0.731	S	S	*	*			trans	-83.7	-177.3	-177.5	-36.3	175.5	132.1	0	0	114.5
509	N	30.7	Very low	31.4	Very low	105 Å²	105	139.5 Å²	139.5	56%	0.561	73%	0.732	S	S	*	*			cis	-149.1	144.4	15.1	-102.7	-47.1	0	0	0	109.3
510	Q	34.3	Very low	31.4	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	73%	0.727	S	S	*	*				62.6	139.1	79.1	-70.1	-160.2	90.4	0	0	115.7
511	T	29.1	Very low	31.2	Very low	109 Å²	109	140.7 Å²	140.7	67%	0.669	73%	0.725	S	S	*	*			cis	-157.9	-173.3	-2.4	-87.8	0	0	0	0	110.5
512	E	31.4	Very low	31.3	Very low	163 Å²	163	145 Å²	145	76%	0.762	73%	0.734	S	S	*	*			trans	-87.1	170.2	-159.8	-48.5	161.1	112.7	0	0	118.5
513	E	28.9	Very low	31.2	Very low	129 Å²	129	143 Å²	143	60%	0.603	73%	0.727	S	S	*	*			trans	74.1	138.4	137.5	-89.2	-154	134.2	0	0	126
514	R	30.3	Very low	31.7	Very low	194 Å²	194	138.8 Å²	138.8	73%	0.732	72%	0.715	S	S	*	*			trans	80.2	101.7	139.7	-75.5	175.7	-170.3	163.6	24.5	123.9
515	K	28.1	Very low	31.7	Very low	175 Å²	175	138.9 Å²	138.9	76%	0.761	71%	0.711	S	S	*	*				69.6	131.7	100.7	-160.8	-147.8	173.8	-165.2	0	120.8
516	S	30	Very low	31.1	Very low	82 Å²	82	143.2 Å²	143.2	57%	0.573	72%	0.718	S	S	*	*			trans	68.4	148.9	154.6	40.6	0	0	0	0	117.7
517	Q	30.4	Very low	31.2	Very low	134 Å²	134	144.8 Å²	144.8	63%	0.626	72%	0.72	S	S	*	*			cis	-160.7	171.5	-8.1	-126.1	155.4	-95.5	0	0	110.8
518	E	30.5	Very low	32.6	Very low	147 Å²	147	143.9 Å²	143.9	69%	0.687	72%	0.717	S	S	*	*			trans	78.3	149	144.2	-82.7	147.7	-166.3	0	0	123.7
519	D	30.4	Very low	32.4	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	72%	0.718	S	S	*	*			trans	66.5	140.2	157	-56.9	-6.2	0	0	0	121.5
520	E	31.1	Very low	32.7	Very low	157 Å²	157	142.5 Å²	142.5	73%	0.734	72%	0.721	S	S	*	*			cis	-160.3	-176.9	-7.8	-112	-77.3	69.1	0	0	110.4
521	E	29.7	Very low	32.8	Very low	168 Å²	168	141.8 Å²	141.8	79%	0.785	72%	0.716	S	S	*	*			trans	-24.9	145.1	176.1	-57.6	-164.7	129.9	0	0	121.1
522	E	29.8	Very low	32.8	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	72%	0.716	S	S	*	*				179.5	149.5	92.4	-170.6	170.9	-167.3	0	0	113.1
523	S	27.6	Very low	32.9	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	71%	0.714	S	S	*	*			trans	-158.4	174	163.4	77.3	0	0	0	0	109.4
524	P	52.6	Low	33	Very low	101 Å²	101	142.8 Å²	142.8	66%	0.656	73%	0.726	S	S	*	*			cis	-133.4	-167.5	-5.6	35.1	-14.2	0	0	0	112.8
525	Q	28.8	Very low	33.2	Very low	155 Å²	155	137.5 Å²	137.5	72%	0.724	72%	0.723	S	S	*	*				159.3	147.1	122.9	-87.4	-178.3	52.4	0	0	117.8
526	K	28.4	Very low	34.1	Very low	187 Å²	187	134.8 Å²	134.8	81%	0.813	72%	0.724	S	S	*	*			trans	82	125.8	141.8	-85	179.8	180	178.9	0	124.4
527	L	30.4	Very low	34.5	Very low	164 Å²	164	135 Å²	135	86%	0.859	73%	0.73	S	S	*	*			trans	-80.1	-168.6	155.1	-46.3	160.4	0	0	0	110.4
528	P	59.2	Low	34.8	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	73%	0.734	S	S	*	*			cis	-133.3	-171.6	-17.2	27.6	-3.5	0	0	0	113.5
529	D	28.9	Very low	35.1	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	73%	0.73	S	S	*	*				144.9	157.1	106.2	-162.5	41	0	0	0	117.5
530	S	36.2	Very low	35.4	Very low	89 Å²	89	137 Å²	137	62%	0.622	73%	0.733	S	S	*	*			trans	61.9	149.4	156.7	15.7	0	0	0	0	121.4
531	K	36.3	Very low	35.4	Very low	148 Å²	148	132.8 Å²	132.8	64%	0.643	73%	0.731	S	S	*	*			cis	-170.1	153	-15.2	-121.5	172.5	176.9	-84	0	111.2
532	E	30.9	Very low	35.7	Very low	144 Å²	144	133.7 Å²	133.7	67%	0.673	74%	0.735	S	S	*	*			trans	42.7	162.3	137.2	-72.1	164.4	-179.3	0	0	122.9
533	V	33.3	Very low	35.8	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.715	73%	0.725	S	S	*	*			cis	-149.9	150.7	7.1	-130.2	0	0	0	0	113.4
534	D	29.7	Very low	36.1	Very low	160 Å²	160	134 Å²	134	86%	0.856	73%	0.726	S	S	*	*			trans	57.4	154.5	138.4	-90.5	-44.2	0	0	0	128.2
535	A	35.5	Very low	35.1	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	73%	0.733	S	S	*	*			trans	-107.5	-162.6	168.3	0	0	0	0	0	111.2
536	P	46.9	Very low	35.4	Very low	118 Å²	118	137.2 Å²	137.2	77%	0.766	74%	0.742	S	S	*	*				-164.9	-179.9	84.8	43.7	-22.2	0	0	0	119.5
537	A	37.2	Very low	35.5	Very low	86 Å²	86	132 Å²	132	71%	0.711	74%	0.742	S	S	*	*			trans	71.5	156.3	139.3	0	0	0	0	0	121.7
538	K	37.1	Very low	35.9	Very low	162 Å²	162	135.9 Å²	135.9	70%	0.704	75%	0.745	S	S	*	*			cis	-175.8	170.5	-10.7	-103.6	-169.7	-175.5	-69.5	0	108.3
539	E	36.6	Very low	35	Very low	130 Å²	130	139.5 Å²	139.5	61%	0.607	75%	0.749	S	S	*	*			cis	-174.8	162.1	-28.9	-137.6	158.5	-118.1	0	0	109.8
540	E	36.4	Very low	35.4	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	75%	0.75	S	S	*	*			trans	57.8	161.6	162.5	-52.3	-54.6	92.1	0	0	121.2
541	G	32.2	Very low	35.4	Very low	67 Å²	67	143 Å²	143	69%	0.691	75%	0.749	S	S	*	*			cis	176.5	142.9	-10.1	0	0	0	0	0	115.9
542	E	35.4	Very low	35.3	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	75%	0.753	S	S	*	*			trans	59.8	160.6	146.9	-57.2	-144.9	122.1	0	0	128.5
543	E	31.7	Very low	35.6	Very low	145 Å²	145	143 Å²	143	68%	0.678	75%	0.752	S	S	*	*			trans	79.1	101.7	153.7	-76.7	-79.1	83.7	0	0	125.6
544	Q	34	Very low	35.6	Very low	153 Å²	153	142.4 Å²	142.4	72%	0.715	76%	0.76	S	S	*	*			trans	27.2	132.6	139	-66.4	-173.3	77.3	0	0	125.3
545	G	32.9	Very low	36	Very low	78 Å²	78	144.1 Å²	144.1	80%	0.804	76%	0.76	S	S	*	*			trans	-156.4	138.6	159	0	0	0	0	0	114.5
546	R	33.8	Very low	36	Very low	246 Å²	246	148.4 Å²	148.4	93%	0.928	76%	0.763	S	S	*	*			trans	-109.4	130.8	-172.9	-60.1	173.2	177.1	172.8	-1.7	112.8
547	G	31.9	Very low	35.1	Very low	78 Å²	78	154.6 Å²	154.6	80%	0.804	77%	0.771	S	S	*	*			trans	-175.9	67	178.8	0	0	0	0	0	122.6
548	R	38.3	Very low	35	Very low	244 Å²	244	161.2 Å²	161.2	92%	0.921	78%	0.778	S	S	*	*			trans	28.9	103.3	151.4	-68.5	-179.2	169.8	-178.9	-2.3	122.7
549	K	39.4	Very low	35.1	Very low	189 Å²	189	158.7 Å²	158.7	82%	0.822	78%	0.781	S	S	*	*				63.2	107.5	107.2	-166.9	-173.5	-174.5	176	0	122.3
550	K	37.3	Very low	35	Very low	168 Å²	168	164.2 Å²	164.2	73%	0.73	80%	0.796	S	S	*	*				-176.6	124.2	115.1	-102.3	-173.5	173.5	-174.5	0	111.3
551	E	36.7	Very low	34.8	Very low	126 Å²	126	160.7 Å²	160.7	59%	0.589	79%	0.79	S	S	*	*				65	136.8	102.1	-84	-172.6	99.4	0	0	116
552	K	35.1	Very low	34.8	Very low	168 Å²	168	164.4 Å²	164.4	73%	0.73	79%	0.794	S	S	*	*			cis	-147.6	166.3	18.2	-148.9	179.9	-175.1	85.2	0	114.4
553	D	36	Very low	34.6	Very low	124 Å²	124	160.8 Å²	160.8	66%	0.663	79%	0.789	S	S	*	*			trans	-55.8	152	-166.5	-55.7	-110.3	0	0	0	120.1
554	A	33.5	Very low	34.6	Very low	107 Å²	107	158.7 Å²	158.7	88%	0.884	79%	0.791	S	S	*	*			trans	-126.7	134.8	137.1	0	0	0	0	0	109
555	K	37.4	Very low	34.6	Very low	196 Å²	196	156.8 Å²	156.8	85%	0.852	79%	0.794	S	S	*	*			trans	-102.5	141.7	-164.8	-129.5	172.5	-171.4	173.4	0	114.1
556	K	35.9	Very low	34.6	Very low	173 Å²	173	159.2 Å²	159.2	75%	0.752	80%	0.799	S	S	*	*			trans	-65.4	153.4	-174.5	-59.9	167.6	-178.6	168.4	0	113.4
557	R	28.6	Very low	34.6	Very low	247 Å²	247	153 Å²	153	93%	0.932	79%	0.793	S	S	*	*			trans	-105.7	142.1	135.6	-61.6	-169.3	80.2	-170	4.3	108.7
558	R	35.6	Very low	34.6	Very low	225 Å²	225	155.4 Å²	155.4	85%	0.849	80%	0.798	S	S	*	*			trans	-140	153.5	165.1	-92.5	-169.2	173	-177.1	-3.2	108.1
559	S	38.8	Very low	34.6	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	80%	0.797	S	S	*	*			trans	-84.4	157.7	178.4	44.1	0	0	0	0	112.3
560	R	35.3	Very low	34.1	Very low	247 Å²	247	144.6 Å²	144.6	93%	0.932	80%	0.796	S	S	*	*				-175.5	165.8	122.6	-99.5	168.7	-178	-167.3	-2.4	112.4
561	S	32	Very low	33.8	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	80%	0.802	S	S	*	*			trans	-79.9	165	-171.3	49.7	0	0	0	0	114.6
562	N	30.3	Very low	33.7	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	82%	0.815	S	S	*	*				-178.1	176.1	111.3	-94.3	16.3	0	0	0	113.6
563	S	31.3	Very low	33.5	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	82%	0.821	S	S	*	*			trans	-54.7	178.4	177.7	-27.7	0	0	0	0	115.2
564	S	33	Very low	33.6	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	83%	0.831	S	S	*	*			cis	-162.7	157.3	15.1	44	0	0	0	0	113.3
565	S	33	Very low	33.4	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	82%	0.823	S	S	*	*			trans	18.1	130.5	149.2	62.5	0	0	0	0	122.3
566	S	32.9	Very low	33.1	Very low	129 Å²	129	135 Å²	135	90%	0.902	82%	0.824	S	S	*	*			trans	-149.1	160.4	140.9	63.9	0	0	0	0	110.7
567	S	34.2	Very low	32.9	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	83%	0.827	S	S	*	*			trans	-118.1	153	-170.7	53.1	0	0	0	0	113
568	S	33.1	Very low	33	Very low	128 Å²	128	125.9 Å²	125.9	90%	0.895	82%	0.82	S	S	*	*			trans	-166.1	149.4	153.9	33.9	0	0	0	0	110.9
569	S	36.4	Very low	32.9	Very low	129 Å²	129	120.9 Å²	120.9	90%	0.902	82%	0.819	S	S	*	*			trans	-96.7	153.2	178.7	45.3	0	0	0	0	111.6
570	G	30.8	Very low	32.7	Very low	77 Å²	77	120.5 Å²	120.5	79%	0.794	82%	0.817	S	S	*	*			trans	-160.9	133	176.7	0	0	0	0	0	111.4
571	S	29.8	Very low	32.6	Very low	125 Å²	125	115 Å²	115	87%	0.874	82%	0.816	S	S	*	*			trans	-81.3	162.7	-165.9	-56.3	0	0	0	0	115
572	S	35.2	Very low	32.6	Very low	121 Å²	121	113.6 Å²	113.6	85%	0.846	82%	0.817	S	S	*	*			trans	-63.5	153.9	173.2	48.2	0	0	0	0	114
573	S	31.4	Very low	32.5	Very low	123 Å²	123	112.5 Å²	112.5	86%	0.86	82%	0.821	S	S	*	*			trans	-149	144.6	155	50.1	0	0	0	0	110.3
574	S	38.1	Very low	32.6	Very low	125 Å²	125	112.7 Å²	112.7	87%	0.874	82%	0.822	S	S	*	*			trans	-94	153.4	179.8	47.6	0	0	0	0	111.3
575	G	28.3	Very low	32.6	Very low	70 Å²	70	119.6 Å²	119.6	72%	0.722	83%	0.832	S	S	*	*			trans	-154	43.4	-167	0	0	0	0	0	115.5	S577	G575-S577 PolarHBondContact O-N 2.99Å; G575-S577 VanDerWaalsContact O-N 3.14Å
576	S	31.9	Very low	32.6	Very low	125 Å²	125	120.2 Å²	120.2	87%	0.874	84%	0.837	S	S	*	*			trans	-68.4	104.9	174.8	-56.8	0	0	0	0	111.4
577	S	31	Very low	32.6	Very low	116 Å²	116	120 Å²	120	81%	0.811	84%	0.835	S	S	*	*			trans	-97.9	93.1	177	45	0	0	0	0	112.1	G575	G575-S577 PolarHBondContact O-N 2.99Å; G575-S577 VanDerWaalsContact O-N 3.14Å
578	S	31.6	Very low	32.4	Very low	111 Å²	111	119.9 Å²	119.9	78%	0.776	83%	0.834	S	S	*	*			trans	-70.5	145.5	166.7	49.7	0	0	0	0	111.2
579	S	32.3	Very low	32.3	Very low	120 Å²	120	119.3 Å²	119.3	84%	0.839	83%	0.83	S	S	*	*			trans	-144	131.6	165.2	49.3	0	0	0	0	109.8
580	S	34.1	Very low	32	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	83%	0.826	S	S	*	*			trans	-141.7	160.6	-165.5	-62.2	0	0	0	0	111.2
581	S	34.8	Very low	32	Very low	131 Å²	131	120.5 Å²	120.5	92%	0.916	83%	0.826	S	S	*	*			trans	68.5	145.3	-179.2	78.3	0	0	0	0	115.3
582	G	30.6	Very low	32	Very low	68 Å²	68	120.3 Å²	120.3	70%	0.701	83%	0.825	S	S	*	*			cis	-151.1	-169.3	-4.5	0	0	0	0	0	110.4
583	S	28.7	Very low	31.8	Very low	123 Å²	123	120.3 Å²	120.3	86%	0.86	83%	0.825	S	S	*	*			cis	-154.4	163.1	12.9	-66.9	0	0	0	0	112.2
584	S	33.7	Very low	31.7	Very low	113 Å²	113	119.3 Å²	119.3	79%	0.79	82%	0.818	S	S	*	*			trans	-64.8	158.8	-174.8	-37.8	0	0	0	0	115.6
585	R	33.6	Very low	31.3	Very low	248 Å²	248	118.9 Å²	118.9	94%	0.936	82%	0.815	S	S	*	*			trans	-134.9	120.8	155.7	-55	-174.8	-163.4	-141.8	2.9	109.1
586	S	31.9	Very low	31.4	Very low	125 Å²	125	120 Å²	120	87%	0.874	81%	0.812	S	S	*	*			trans	-85.9	144.2	-177.4	-40.9	0	0	0	0	111.9
587	S	32.3	Very low	31.3	Very low	123 Å²	123	120.9 Å²	120.9	86%	0.86	81%	0.812	S	S	*	*			trans	-129.9	135.4	153.4	53	0	0	0	0	108.5
588	S	30.3	Very low	31.3	Very low	115 Å²	115	120.4 Å²	120.4	80%	0.804	81%	0.809	S	S	*	*			trans	-94.8	127.9	-164.4	53.1	0	0	0	0	112.7	S590	S588-S590 PolarHBondContact O-N 2.9Å
589	S	32.4	Very low	31.2	Very low	115 Å²	115	120.6 Å²	120.6	80%	0.804	81%	0.81	S	S	*	*			trans	-74.3	117.7	166.7	42.5	0	0	0	0	111.2
590	S	29.8	Very low	31.2	Very low	118 Å²	118	119.1 Å²	119.1	83%	0.825	80%	0.8	S	S	*	*			trans	-86.6	104.2	173.8	56.9	0	0	0	0	110.9	S588	S588-S590 PolarHBondContact O-N 2.9Å
591	S	30.8	Very low	31.3	Very low	113 Å²	113	125 Å²	125	79%	0.79	81%	0.807	S	S	*	*			trans	-106.3	96.8	175.7	44.7	0	0	0	0	111.8
592	S	29.7	Very low	31.2	Very low	122 Å²	122	123.8 Å²	123.8	85%	0.853	80%	0.798	S	S	*	*			trans	-79.5	119.7	169	53.9	0	0	0	0	110.6
593	S	31.4	Very low	31.5	Very low	121 Å²	121	132.1 Å²	132.1	85%	0.846	81%	0.808	S	S	*	*			trans	-92.6	157.2	176.2	56	0	0	0	0	112.4
594	S	29	Very low	31.7	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	81%	0.811	S	S	*	*			trans	-152.2	134	172	58.3	0	0	0	0	112.1
595	S	29.2	Very low	31.6	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	81%	0.807	S	S	*	*			trans	61.7	143.8	171	40.4	0	0	0	0	118
596	S	29.6	Very low	31.5	Very low	94 Å²	94	124 Å²	124	66%	0.657	80%	0.8	S	S	*	*			cis	-172.4	155	-10.3	46.9	0	0	0	0	112.5
597	T	30.9	Very low	31.8	Very low	142 Å²	142	127.5 Å²	127.5	87%	0.871	80%	0.799	S	S	*	*			trans	65.3	154.6	162.1	59.7	0	0	0	0	117.3
598	S	31.5	Very low	32	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	80%	0.798	S	S	*	*			cis	-151.2	167.7	10.4	71.9	0	0	0	0	112.6
599	S	29.6	Very low	32.3	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	79%	0.793	S	S	*	*			trans	50.3	137.3	152.2	-103.9	0	0	0	0	121.1
600	S	32.3	Very low	32.5	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	80%	0.797	S	S	*	*			cis	-168.5	-179	14.8	63	0	0	0	0	112.8
601	R	36.2	Very low	32.7	Very low	225 Å²	225	145.8 Å²	145.8	85%	0.849	80%	0.8	S	S	*	*			trans	77.4	86.5	157.8	-68.2	172.4	-179.2	-179.2	0.8	120.9
602	S	32.1	Very low	34	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	80%	0.795	S	S	*	*				53.8	120.9	122.9	63.5	0	0	0	0	122.6
603	R	36.6	Very low	34.3	Very low	242 Å²	242	144.5 Å²	144.5	91%	0.913	79%	0.789	S	S	*	*				-173.2	142.1	104.3	-101.4	174.8	-177.9	-174.2	1.1	113.6
604	D	32.8	Very low	34.4	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	78%	0.776	S	S	*	*			trans	56.8	173	157.6	-121.8	-75.6	0	0	0	122
605	G	32.6	Very low	34.8	Very low	69 Å²	69	148.8 Å²	148.8	71%	0.711	78%	0.779	S	S	*	*			trans	139.3	-39.2	162.2	0	0	0	0	0	119.5
606	G	31.5	Very low	34.9	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	78%	0.776	S	S	*	*			trans	74.7	169.3	164.1	0	0	0	0	0	122
607	K	38.2	Very low	35.3	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	79%	0.788	S	S	*	*			trans	72.6	91.6	161.1	-63.9	176.2	-176.4	168.6	0	121.9
608	R	34.8	Very low	35.6	Very low	223 Å²	223	153.6 Å²	153.6	84%	0.842	78%	0.782	S	S	*	*				76.8	112.3	120.8	-72.5	178.9	172.9	-169	-2.3	121.9
609	K	37.6	Very low	35.9	Very low	162 Å²	162	158.1 Å²	158.1	70%	0.704	79%	0.788	S	S	*	*				111.5	121.7	120.5	-85.5	-175.2	176.2	-177.2	0	120.4
610	R	35.8	Very low	36.4	Very low	233 Å²	233	161 Å²	161	88%	0.879	79%	0.786	S	S	*	*			trans	91.9	135.8	145.2	-71.3	176.8	169.4	174.6	-6	119.8
611	R	34.2	Very low	36.6	Very low	237 Å²	237	164.2 Å²	164.2	89%	0.894	79%	0.789	S	S	*	*			trans	-138	175.6	-177.4	-110.6	-169.5	174.1	-173.9	-1.4	104.6
612	P	59.2	Low	36.4	Very low	105 Å²	105	159.5 Å²	159.5	68%	0.682	78%	0.777	S	S	*	*			cis	-137	-140.2	-32.4	40.6	-20.8	0	0	0	110
613	S	34.8	Very low	36.4	Very low	103 Å²	103	161.1 Å²	161.1	72%	0.72	77%	0.772	S	S	*	*			trans	83.3	146.7	162	82.7	0	0	0	0	116.3
614	D	33.9	Very low	36.3	Very low	107 Å²	107	159.4 Å²	159.4	57%	0.572	77%	0.766	S	S	*	*			cis	-156.9	-179.6	-4.4	-134.6	-38.6	0	0	0	112.1
615	R	36.5	Very low	36.3	Very low	206 Å²	206	156 Å²	156	78%	0.777	76%	0.755	S	S	*	*			trans	15.7	134.8	156	-62.9	162.5	-163.6	97.7	19.9	119.1
616	G	32.3	Very low	36.5	Very low	73 Å²	73	163.1 Å²	163.1	75%	0.753	76%	0.761	S	S	*	*			cis	89.5	109.3	13.4	0	0	0	0	0	114.6
617	R	37.3	Very low	36.7	Very low	239 Å²	239	166 Å²	166	90%	0.902	75%	0.754	S	S	*	*			trans	-175.4	149.2	153.2	-148.1	169.6	-156.1	164.7	7.3	114.4
618	D	38.1	Very low	36.4	Very low	141 Å²	141	163.6 Å²	163.6	75%	0.754	75%	0.745	S	S	*	*			trans	-79.3	164.3	174.4	-34.8	-114.4	0	0	0	114.8
619	K	38.5	Very low	36.4	Very low	200 Å²	200	158.4 Å²	158.4	87%	0.87	74%	0.744	S	S	*	*				-173.9	163	111.1	-103.1	172.4	-177.9	-175.9	0	117.1
620	K	38.3	Very low	36.1	Very low	177 Å²	177	154.7 Å²	154.7	77%	0.77	75%	0.751	S	S	*	*			trans	-32.5	165	166.7	-77.5	-175.9	175.8	-170.6	0	117.8
621	K	36.8	Very low	35.8	Very low	157 Å²	157	147 Å²	147	68%	0.683	74%	0.744	S	S	*	*			cis	127.5	162.9	8.6	-163.7	-150.3	160.4	-141.2	0	108
622	E	33.5	Very low	35.9	Very low	126 Å²	126	146.7 Å²	146.7	59%	0.589	74%	0.743	S	S	*	*			trans	83	125.8	-179.8	-81.6	130.7	-135.2	0	0	114
623	E	32.3	Very low	34.5	Very low	139 Å²	139	148 Å²	148	65%	0.65	74%	0.744	S	S	*	*				83.3	140.7	60.1	-85.1	-154.6	136.7	0	0	113.1
624	R	34.3	Very low	34.5	Very low	207 Å²	207	148.1 Å²	148.1	78%	0.781	75%	0.745	S	S	*	*			cis	-163.6	-178.5	-9.4	-145.3	-177.9	-176.5	148.5	-12.9	109
625	S	32.9	Very low	34.5	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	75%	0.751	S	S	*	*			trans	82.1	125.5	161.5	87.6	0	0	0	0	116.1
626	R	36.5	Very low	34.4	Very low	219 Å²	219	144.8 Å²	144.8	83%	0.826	75%	0.749	S	S	*	*				77.3	148.4	83	-70.5	169.5	170.5	-156.6	6.1	112.2
627	Q	35.3	Very low	34.4	Very low	135 Å²	135	149.7 Å²	149.7	63%	0.631	75%	0.745	S	S	*	*			cis	-162.2	163.9	-2.3	-112.3	168.4	-81	0	0	106
628	E	31.9	Very low	34.3	Very low	148 Å²	148	145.8 Å²	145.8	69%	0.692	73%	0.73	S	S	*	*			cis	-154.9	-179.6	5.3	-164.4	62.7	-73.4	0	0	109.1
629	S	33.5	Very low	34.2	Very low	115 Å²	115	145.7 Å²	145.7	80%	0.804	72%	0.723	S	S	*	*			trans	71.6	131.1	172.2	71.9	0	0	0	0	116.7
630	G	31.6	Very low	34	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	71%	0.711	S	S	*	*			cis	126.3	131.3	-0.9	0	0	0	0	0	111.3
631	G	30.3	Very low	34.1	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	72%	0.719	S	S	*	*			cis	145	147.9	-4.8	0	0	0	0	0	111.3
632	R	35.3	Very low	33.9	Very low	232 Å²	232	144.6 Å²	144.6	88%	0.875	72%	0.72	S	S	*	*			trans	66.9	155.7	177.5	-63	-172.4	172.8	166.6	-1.4	114.4
633	D	31.2	Very low	34	Very low	133 Å²	133	146 Å²	146	71%	0.711	73%	0.727	S	S	*	*			cis	-167.5	166.4	-17.6	-96.2	-18	0	0	0	104.4
634	S	34.6	Very low	34.2	Very low	104 Å²	104	145 Å²	145	73%	0.727	72%	0.722	S	S	*	*			cis	-167.8	-177.5	-3.9	44.2	0	0	0	0	108.4
635	A	33.8	Very low	34.1	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	71%	0.713	S	S	*	*			trans	63.2	103.2	150.4	0	0	0	0	0	121.3
636	E	33.6	Very low	34.2	Very low	157 Å²	157	146 Å²	146	73%	0.734	72%	0.72	S	S	*	*				69.5	136.2	119.5	-78.1	-147.4	108.1	0	0	126.2
637	R	33.4	Very low	33.8	Very low	177 Å²	177	139 Å²	139	67%	0.668	72%	0.716	S	S	*	*			trans	67.5	135.9	135.7	-78.2	-175.1	-179.4	-136	-13.3	124.3
638	R	34.6	Very low	33.9	Very low	156 Å²	156	143.9 Å²	143.9	59%	0.589	73%	0.728	S	S	*	*			trans	63.9	93.7	140.4	-70.4	-178	171.2	-171	-6.8	120
639	K	36.3	Very low	34.4	Very low	139 Å²	139	143 Å²	143	60%	0.604	74%	0.736	S	S	*	*				47.1	99.4	98.9	-167.8	-160.6	-158.3	-171	0	116.4	E333	E333-K639 IonicContact OE1-NZ 3.35Å; E333-K639 PolarHBondContact OE1-NZ 2.85Å; E333-K639 IonicContact OE2-NZ 3.03Å; E333-K639 PolarHBondContact OE2-NZ 3.41Å
640	R	33.8	Very low	34.6	Very low	162 Å²	162	142.3 Å²	142.3	61%	0.611	73%	0.73	S	S	*	*				-175.6	161.4	120.6	-97.9	149.2	-173.4	-111.9	0.1	112.8	E331 E333	E331-R640 IonicContact OE2-CZ 3.26Å; E331-R640 VanDerWaalsContact OE2-CZ 3.26Å; E331-R640 IonicContact OE2-NH1 2.65Å; E331-R640 PolarHBondContact OE2-NH1 3.47Å; E331-R640 IonicContact OE2-NH2 2.96Å; E331-R640 PolarHBondContact OE2-NH2 2.84Å; E333-R640 IonicContact OE1-CZ 3.71Å; E333-R640 IonicContact OE1-NE 3.73Å; E333-R640 IonicContact OE1-NH2 2.86Å; E333-R640 PolarHBondContact OE1-NH2 3.49Å
641	R	40.8	Very low	34.8	Very low	248 Å²	248	149.7 Å²	149.7	94%	0.936	73%	0.733	S	S	*	*			trans	-72.5	159.1	172.9	-65.1	166.1	164.5	155.7	-8.3	111.2
642	S	33.7	Very low	35	Very low	102 Å²	102	152 Å²	152	71%	0.713	74%	0.737	S	S	*	*			trans	-158.2	136	147	67.5	0	0	0	0	112
643	E	35.1	Very low	34.9	Very low	156 Å²	156	146.4 Å²	146.4	73%	0.729	73%	0.725	S	S	*	*			trans	67.4	152.5	151.5	-50.5	-82	79.5	0	0	116.9
644	E	35.3	Very low	35	Very low	118 Å²	118	149.9 Å²	149.9	55%	0.551	73%	0.728	S	S	*	*			cis	-170.4	-176.4	-11.9	-111.6	-174.9	135.4	0	0	107.9
645	K	33.6	Very low	35	Very low	133 Å²	133	152.4 Å²	152.4	58%	0.578	73%	0.729	S	S	*	*			cis	-159.1	156.5	4.2	-134.6	157.6	179.7	121.3	0	108.5
646	K	33.4	Very low	35.4	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.835	73%	0.734	S	S	*	*			trans	66	154.2	158.6	-60.6	154.7	-175.3	176	0	116.8
647	G	29.6	Very low	35.5	Very low	72 Å²	72	157.2 Å²	157.2	74%	0.742	73%	0.733	S	S	*	*			cis	-161.5	156.9	0.2	0	0	0	0	0	114.6
648	R	37	Very low	35.7	Very low	237 Å²	237	154.3 Å²	154.3	89%	0.894	73%	0.731	S	S	*	*			trans	-72.5	164.4	174.1	-93.2	-178.8	-175.7	-163.5	2.9	111.4
649	P	42.2	Very low	35.7	Very low	131 Å²	131	157.6 Å²	157.6	85%	0.851	74%	0.743	S	S	*	*				-147.9	-166.3	54.5	42.2	-20.5	0	0	0	117.5
650	S	36.8	Very low	35.6	Very low	99 Å²	99	154.3 Å²	154.3	69%	0.692	75%	0.749	S	S	*	*			trans	-143	160	-169.3	57.6	0	0	0	0	113.1
651	R	37.4	Very low	36	Very low	238 Å²	238	153.7 Å²	153.7	90%	0.898	76%	0.758	S	S	*	*			trans	71	114.6	165.9	-67.1	-179.2	166.9	177.7	-4.6	119.8
652	S	32.9	Very low	36	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	75%	0.75	S	S	*	*			trans	173	150.3	141.9	24.6	0	0	0	0	107.7
653	D	34	Very low	36.3	Very low	115 Å²	115	154.1 Å²	154.1	62%	0.615	75%	0.748	S	S	*	*			cis	-156.2	-176.8	-12.2	-148.7	-9.1	0	0	0	110.7
654	R	33	Very low	36.6	Very low	206 Å²	206	151.5 Å²	151.5	78%	0.777	74%	0.739	S	S	*	*			trans	11.8	142.9	149.9	-69.3	158.5	171.1	121.2	-8.6	119.8
655	E	35.4	Very low	37.1	Very low	158 Å²	158	154.3 Å²	154.3	74%	0.738	75%	0.75	S	S	*	*				-159.9	176.7	65.5	-111.2	-153.5	-179.9	0	0	115.4	K657	E655-K657 IonicContact OE1-NZ 3.81Å; E655-K657 IonicContact OE2-NZ 2.77Å; E655-K657 PolarHBondContact OE2-NZ 2.61Å
656	H	41.6	Very low	37.5	Very low	177 Å²	177	159.2 Å²	159.2	82%	0.819	76%	0.764	S	S	*	*			trans	-129.1	128.6	-175.1	-145.1	-73.4	0	0	0	110.7
657	K	36.8	Very low	38	Very low	166 Å²	166	165.2 Å²	165.2	72%	0.722	78%	0.782	S	S	*	*			trans	-163.1	126	160.8	-89	123.4	-170.4	167.5	0	107.3	E655	E655-K657 IonicContact OE1-NZ 3.81Å; E655-K657 IonicContact OE2-NZ 2.77Å; E655-K657 PolarHBondContact OE2-NZ 2.61Å
658	D	36.6	Very low	38.5	Very low	116 Å²	116	169.9 Å²	169.9	62%	0.62	78%	0.784	S	S	*	*			cis	96.4	132.5	31.4	-167.7	35.7	0	0	0	114.1
659	R	35.2	Very low	38.5	Very low	226 Å²	226	166.3 Å²	166.3	85%	0.853	78%	0.778	S	S	*	*			trans	84.6	141.1	167.1	-44.5	-166.8	-179.9	-165.1	-7.5	122
660	G	33.9	Very low	38.3	Very low	70 Å²	70	168.3 Å²	168.3	72%	0.722	77%	0.774	S	S	*	*			trans	100	102.3	171.9	0	0	0	0	0	112.3
661	D	41.6	Very low	38.4	Very low	149 Å²	149	172.4 Å²	172.4	80%	0.797	78%	0.778	S	S	*	*			cis	61.4	143.1	19.5	-171.9	40.7	0	0	0	115.7
662	R	41.1	Very low	38.5	Very low	206 Å²	206	168.3 Å²	168.3	78%	0.777	77%	0.771	S	S	*	*			trans	82.9	134.7	-172.4	-55.4	177.8	178.9	179.1	-1.7	114.5
663	K	40.6	Very low	38.9	Very low	152 Å²	152	171.5 Å²	171.5	66%	0.661	77%	0.767	S	S	*	*			cis	-161.9	154	2.9	-123.4	-176.7	172.4	-68.3	0	115.2
664	D	41.3	Very low	39.2	Very low	102 Å²	102	175.6 Å²	175.6	55%	0.545	78%	0.778	S	S	.	*			trans	33	126.6	147.9	-49.3	-16.4	0	0	0	121.7
665	K	44.5	Very low	39.7	Very low	177 Å²	177	173.2 Å²	173.2	77%	0.77	78%	0.778	S	S	*	*				179.7	135.1	88.4	-108	132.1	-171.3	173.2	0	113.7
666	R	43	Very low	40.1	Very low	236 Å²	236	174.5 Å²	174.5	89%	0.891	78%	0.781	S	S	*	*			trans	50	127	146.6	-63.4	175.9	174	-179.2	-4.6	117.3
667	R	44.3	Very low	39.9	Very low	317 Å²	317	174.3 Å²	174.3	100%	1.196	78%	0.778	S	S	*	*				-145.4	0	53.6	-155.3	174	-167.7	170.8	2	113.7

Retrieved 667 of 667 residues in 133.1 ms (Link to these results)

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