A0A087Y679_POEFO Loading...

Corepressor interacting with RBPJ, CIR1

AlphaFold DB , UniProt , Accession A0A087Y679, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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	53.9	Low	79.8	Confident	245 Å²	245	107.2 Å²	107.2	100%	1.207	58%	0.581	S	S	*	*				0	122	0	-64.3	173	-176.6	0	0	109.2
2	G	58.4	Low	80.7	Confident	81 Å²	81	103.8 Å²	103.8	84%	0.835	56%	0.557	S	S	*	*			trans	-74.2	137.2	-178.3	0	0	0	0	0	112.8	S4	G2-S4 PolarHBondContact O-N 2.83Å
3	K	74.3	Confident	81.4	Confident	172 Å²	172	104.7 Å²	104.7	75%	0.748	56%	0.561	S	S	*	*			trans	-77.6	107.7	170.2	-68.8	149.3	-175.7	165.5	0	107.1
4	S	84.7	Confident	82.1	Confident	73 Å²	73	107.9 Å²	107.9	51%	0.51	57%	0.568	S	S	.	*			trans	-56.8	152.8	-171.9	62.7	0	0	0	0	113.3	G2 A6 N7 F8	G2-S4 PolarHBondContact O-N 2.83Å; S4-A6 VanDerWaalsContact C-N 3.27Å; S4-A6 PolarHBondContact O-N 2.94Å; S4-N7 CarbonylContact O-C 3.57Å; S4-N7 WeakPolarHBondContact O-CA 3.13Å; S4-N7 WeakPolarHBondContact O-CB 3.23Å; S4-N7 PolarHBondContact O-N 3.39Å; S4-F8 PolarHBondContact O-N 2.86Å
5	F	85.5	Confident	82.8	Confident	147 Å²	147	103.8 Å²	103.8	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-54.2	-40.3	-177.6	177.6	-103	0	0	0	113	N7 F8 M9	F5-N7 VanDerWaalsContact C-N 3.29Å; F5-N7 PolarHBondContact O-N 3.29Å; F5-F8 HydrophobicContact CD2-CD1 4.46Å; F5-F8 WeakPolarHBondContact O-CA 3.43Å; F5-F8 WeakPolarHBondContact O-CB 3.48Å; F5-F8 PolarHBondContact O-N 2.78Å; F5-M9 HydrophobicContact CD1-CG 3.99Å; F5-M9 HydrophobicContact CD2-CG 4.37Å; F5-M9 HydrophobicContact CE1-CE 4.48Å; F5-M9 HydrophobicContact CE1-CG 3.55Å; F5-M9 HydrophobicContact CE1-SD 4.2Å; F5-M9 HydrophobicContact CE2-CG 3.97Å; F5-M9 HydrophobicContact CE2-SD 4.03Å; F5-M9 HydrophobicContact CG-CG 4.38Å; F5-M9 HydrophobicContact CZ-CE 4.15Å; F5-M9 HydrophobicContact CZ-CG 3.54Å; F5-M9 HydrophobicContact CZ-SD 3.62Å; F5-M9 WeakPolarHBondContact O-CG 3.42Å; F5-M9 PolarHBondContact O-N 3.38Å
6	A	84.1	Confident	83.4	Confident	60 Å²	60	103.5 Å²	103.5	50%	0.496	55%	0.551	S	S	.	*	H	α-helix	trans	-57.7	-39.8	173.6	0	0	0	0	0	112.7	S4 F8 M9 C10	S4-A6 VanDerWaalsContact C-N 3.27Å; S4-A6 PolarHBondContact O-N 2.94Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.08Å; A6-M9 PolarHBondContact O-N 2.93Å; A6-C10 WeakPolarHBondContact O-CB 3.18Å; A6-C10 PolarHBondContact O-N 3.15Å; A6-C10 PolarHBondContact O-SG 3.12Å
7	N	85.6	Confident	83.8	Confident	88 Å²	88	100.3 Å²	100.3	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-77.8	-13.9	177.9	-158.8	-6.7	0	0	0	112.8	S4 F5 K11	S4-N7 CarbonylContact O-C 3.57Å; S4-N7 WeakPolarHBondContact O-CA 3.13Å; S4-N7 WeakPolarHBondContact O-CB 3.23Å; S4-N7 PolarHBondContact O-N 3.39Å; F5-N7 VanDerWaalsContact C-N 3.29Å; F5-N7 PolarHBondContact O-N 3.29Å; N7-K11 VanDerWaalsContact O-CE 3.23Å; N7-K11 WeakPolarHBondContact O-CE 3.09Å
8	F	88.3	Confident	84.3	Confident	110 Å²	110	95.2 Å²	95.2	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-81	-46.1	163.4	173.7	-115.9	0	0	0	111.3	S4 F5 A6 C10 K11 K12	S4-F8 PolarHBondContact O-N 2.86Å; F5-F8 HydrophobicContact CD2-CD1 4.46Å; F5-F8 WeakPolarHBondContact O-CA 3.43Å; F5-F8 WeakPolarHBondContact O-CB 3.48Å; F5-F8 PolarHBondContact O-N 2.78Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.08Å; F8-C10 PolarHBondContact O-N 3.39Å; F8-K11 WeakPolarHBondContact O-CB 3.29Å; F8-K11 PolarHBondContact O-N 2.92Å; F8-K11 VanDerWaalsContact O-N 3.11Å; F8-K12 VanDerWaalsContact CE1-CE 3.45Å
9	M	89.7	Confident	84.6	Confident	33 Å²	33	99.9 Å²	99.9	16%	0.163	53%	0.53	C	S	.	.	H	α-helix	trans	-63.6	-38.1	179.7	-67.3	-68.2	-80.4	0	0	112.5	F5 A6 K11 K12 F14 H15	F5-M9 HydrophobicContact CD1-CG 3.99Å; F5-M9 HydrophobicContact CD2-CG 4.37Å; F5-M9 HydrophobicContact CE1-CE 4.48Å; F5-M9 HydrophobicContact CE1-CG 3.55Å; F5-M9 HydrophobicContact CE1-SD 4.2Å; F5-M9 HydrophobicContact CE2-CG 3.97Å; F5-M9 HydrophobicContact CE2-SD 4.03Å; F5-M9 HydrophobicContact CG-CG 4.38Å; F5-M9 HydrophobicContact CZ-CE 4.15Å; F5-M9 HydrophobicContact CZ-CG 3.54Å; F5-M9 HydrophobicContact CZ-SD 3.62Å; F5-M9 WeakPolarHBondContact O-CG 3.42Å; F5-M9 PolarHBondContact O-N 3.38Å; A6-M9 PolarHBondContact O-N 2.93Å; M9-K11 PolarHBondContact O-N 3Å; M9-K12 WeakPolarHBondContact O-CB 3.07Å; M9-K12 PolarHBondContact O-N 2.83Å; M9-K12 HydrophobicContact SD-CD 3.9Å; M9-K12 PolarHBondContact SD-NZ 3.39Å; M9-K12 VanDerWaalsContact SD-NZ 3.42Å; M9-F14 HydrophobicContact CE-CE2 4.43Å; M9-H15 WeakPolarHBondContact O-CB 3.43Å
10	C	87.1	Confident	85	Confident	39 Å²	39	97.5 Å²	97.5	26%	0.264	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-4.3	175.2	-64.1	0	0	0	0	114.9	A6 F8 S18	A6-C10 WeakPolarHBondContact O-CB 3.18Å; A6-C10 PolarHBondContact O-N 3.15Å; A6-C10 PolarHBondContact O-SG 3.12Å; F8-C10 PolarHBondContact O-N 3.39Å; C10-S18 WeakPolarHBondContact O-CA 3.35Å; C10-S18 WeakPolarHBondContact O-CB 3.49Å; C10-S18 PolarHBondContact O-OG 2.71Å
11	K	85.9	Confident	85.4	Confident	131 Å²	131	93.9 Å²	93.9	57%	0.57	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-10.5	170.6	-61.3	171.6	-177.4	174.9	0	113.3	N7 F8 M9	N7-K11 VanDerWaalsContact O-CE 3.23Å; N7-K11 WeakPolarHBondContact O-CE 3.09Å; F8-K11 WeakPolarHBondContact O-CB 3.29Å; F8-K11 PolarHBondContact O-N 2.92Å; F8-K11 VanDerWaalsContact O-N 3.11Å; M9-K11 PolarHBondContact O-N 3Å
12	K	90.7	Very high	87.3	Confident	67 Å²	67	86.7 Å²	86.7	29%	0.291	47%	0.468	S	S	.	.	S	Bend	trans	-85.4	134.2	178.3	-57.7	-174.3	-179.2	178.6	0	109.8	F8 M9 F14 H15	F8-K12 VanDerWaalsContact CE1-CE 3.45Å; M9-K12 WeakPolarHBondContact O-CB 3.07Å; M9-K12 PolarHBondContact O-N 2.83Å; M9-K12 HydrophobicContact SD-CD 3.9Å; M9-K12 PolarHBondContact SD-NZ 3.39Å; M9-K12 VanDerWaalsContact SD-NZ 3.42Å; K12-F14 HydrophobicContact CB-CD1 4.05Å; K12-F14 HydrophobicContact CB-CE1 3.77Å; K12-F14 HydrophobicContact CB-CZ 4.07Å; K12-F14 HydrophobicContact CD-CE1 3.68Å; K12-F14 HydrophobicContact CD-CE2 4.38Å; K12-F14 HydrophobicContact CD-CZ 3.47Å; K12-F14 VanDerWaalsContact CD-CZ 3.47Å; K12-F14 HydrophobicContact CG-CE1 4.29Å; K12-F14 HydrophobicContact CG-CZ 4.41Å; K12-F14 PolarHBondContact O-N 3.38Å; K12-H15 PolarHBondContact O-N 3.47Å
13	D	90.5	Very high	89.1	Confident	115 Å²	115	89.3 Å²	89.3	62%	0.615	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.6	-173.5	-64.7	-72.6	0	0	0	115.6	N21	D13-N21 PolarHBondContact O-ND2 3.42Å; D13-N21 PolarHBondContact O-OD1 3.28Å
14	F	91	Very high	90.1	Very high	149 Å²	149	86.1 Å²	86.1	65%	0.654	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-12.6	173.6	63.7	-100.4	0	0	0	114.1	M9 K12	M9-F14 HydrophobicContact CE-CE2 4.43Å; K12-F14 HydrophobicContact CB-CD1 4.05Å; K12-F14 HydrophobicContact CB-CE1 3.77Å; K12-F14 HydrophobicContact CB-CZ 4.07Å; K12-F14 HydrophobicContact CD-CE1 3.68Å; K12-F14 HydrophobicContact CD-CE2 4.38Å; K12-F14 HydrophobicContact CD-CZ 3.47Å; K12-F14 VanDerWaalsContact CD-CZ 3.47Å; K12-F14 HydrophobicContact CG-CE1 4.29Å; K12-F14 HydrophobicContact CG-CZ 4.41Å; K12-F14 PolarHBondContact O-N 3.38Å
15	H	92.4	Very high	90.7	Very high	47 Å²	47	86.5 Å²	86.5	22%	0.218	44%	0.441	C	S	.	.			trans	-76.3	131.4	-175.5	-163.7	-103.8	0	0	0	110.6	M9 K12 A17 S18 N21	M9-H15 WeakPolarHBondContact O-CB 3.43Å; K12-H15 PolarHBondContact O-N 3.47Å; H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 3.5Å; H15-S18 WeakPolarHBondContact O-CB 3.15Å; H15-S18 PolarHBondContact O-N 2.87Å; H15-N21 PolarHBondContact O-ND2 2.88Å
16	P	92.2	Very high	91.2	Very high	99 Å²	99	86.3 Å²	86.3	64%	0.643	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.5	-174.2	22.8	-32.9	0	0	0	112.4	S18 I22	P16-S18 PolarHBondContact O-N 2.89Å; P16-I22 WeakPolarHBondContact O-CG1 3.44Å
17	A	90.4	Very high	91.8	Very high	49 Å²	49	87.6 Å²	87.6	41%	0.405	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	5.6	176.1	0	0	0	0	0	114.5	H15	H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 3.5Å
18	S	93.1	Very high	92.3	Very high	8 Å²	8	86.1 Å²	86.1	6%	0.056	43%	0.433	C	S	.	.	S	Bend	trans	-66.7	132.9	168.2	173.8	0	0	0	0	110.1	C10 H15 P16 S20 N21 I22	C10-S18 WeakPolarHBondContact O-CA 3.35Å; C10-S18 WeakPolarHBondContact O-CB 3.49Å; C10-S18 PolarHBondContact O-OG 2.71Å; H15-S18 WeakPolarHBondContact O-CB 3.15Å; H15-S18 PolarHBondContact O-N 2.87Å; P16-S18 PolarHBondContact O-N 2.89Å; S18-S20 PolarHBondContact O-N 2.95Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-N 3.13Å; S18-N21 PolarHBondContact O-N 2.75Å; S18-I22 WeakPolarHBondContact O-CG1 3.44Å; S18-I22 PolarHBondContact O-N 3.41Å
19	K	90.4	Very high	92.7	Very high	185 Å²	185	85.7 Å²	85.7	80%	0.804	43%	0.433	S	S	*	.	H	α-helix	trans	-54.5	-31	177.9	-64.9	-175	178.7	-175.7	0	112.8	K23	K19-K23 WeakPolarHBondContact O-CB 3.42Å; K19-K23 PolarHBondContact O-N 3.4Å; K19-K23 VanDerWaalsContact O-N 3.14Å
20	S	92.1	Very high	93	Very high	51 Å²	51	88.7 Å²	88.7	36%	0.357	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-45.9	174.5	-174.2	0	0	0	0	111.3	S18 K23 K24	S18-S20 PolarHBondContact O-N 2.95Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-N 3.13Å; S20-K23 PolarHBondContact O-N 3.04Å; S20-K24 VanDerWaalsContact O-CG 3.31Å; S20-K24 WeakPolarHBondContact O-CG 3.49Å; S20-K24 PolarHBondContact O-N 3.21Å; S20-K24 WeakPolarHBondContact OG-CE 3.44Å
21	N	94.1	Very high	93.5	Very high	22 Å²	22	93.4 Å²	93.4	12%	0.118	46%	0.462	C	S	.	.	H	α-helix	trans	-76.9	-40.7	-177.6	-67.9	-20.3	0	0	0	112.6	D13 H15 S18 K23 K24 V25	D13-N21 PolarHBondContact O-ND2 3.42Å; D13-N21 PolarHBondContact O-OD1 3.28Å; H15-N21 PolarHBondContact O-ND2 2.88Å; S18-N21 PolarHBondContact O-N 2.75Å; N21-K23 PolarHBondContact O-N 3.41Å; N21-K24 PolarHBondContact O-N 3.03Å; N21-K24 VanDerWaalsContact O-N 3.07Å; N21-K24 PolarHBondContact OD1-NZ 3.16Å; N21-V25 WeakPolarHBondContact O-CB 3.33Å; N21-V25 WeakPolarHBondContact O-CG2 3.48Å; N21-V25 PolarHBondContact O-N 3.1Å
22	I	93.4	Very high	94	Very high	95 Å²	95	92.3 Å²	92.3	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-53.8	-44.7	170.6	-61.2	169.1	0	0	0	110	P16 S18 W26	P16-I22 WeakPolarHBondContact O-CG1 3.44Å; S18-I22 WeakPolarHBondContact O-CG1 3.44Å; S18-I22 PolarHBondContact O-N 3.41Å; I22-W26 VanDerWaalsContact O-CB 3.26Å; I22-W26 WeakPolarHBondContact O-CB 3.21Å; I22-W26 PolarHBondContact O-N 2.96Å
23	K	95.4	Very high	94.3	Very high	135 Å²	135	92.7 Å²	92.7	59%	0.587	47%	0.47	S	S	*	.	H	α-helix	trans	-65.8	-39.8	176.5	-171.5	179.6	177.9	-178.8	0	113	K19 S20 N21 M27	K19-K23 WeakPolarHBondContact O-CB 3.42Å; K19-K23 PolarHBondContact O-N 3.4Å; K19-K23 VanDerWaalsContact O-N 3.14Å; S20-K23 PolarHBondContact O-N 3.04Å; N21-K23 PolarHBondContact O-N 3.41Å; K23-M27 HydrophobicContact CG-CE 4.18Å; K23-M27 HydrophobicContact CG-CG 4.49Å; K23-M27 HydrophobicContact CG-SD 4.33Å; K23-M27 WeakPolarHBondContact O-CB 3.47Å; K23-M27 VanDerWaalsContact O-CG 3.26Å; K23-M27 WeakPolarHBondContact O-CG 3.47Å; K23-M27 PolarHBondContact O-N 2.69Å
24	K	95.8	Very high	94.5	Very high	106 Å²	106	93.8 Å²	93.8	46%	0.461	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-48.4	175.8	-69.4	166.8	-160.1	165.1	0	111.5	S20 N21 M27 A28	S20-K24 VanDerWaalsContact O-CG 3.31Å; S20-K24 WeakPolarHBondContact O-CG 3.49Å; S20-K24 PolarHBondContact O-N 3.21Å; S20-K24 WeakPolarHBondContact OG-CE 3.44Å; N21-K24 PolarHBondContact O-N 3.03Å; N21-K24 VanDerWaalsContact O-N 3.07Å; N21-K24 PolarHBondContact OD1-NZ 3.16Å; K24-M27 PolarHBondContact O-N 3.36Å; K24-A28 PolarHBondContact O-N 2.97Å
25	V	96.1	Very high	94.8	Very high	80 Å²	80	92 Å²	92	49%	0.485	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-52.3	178.1	171.1	0	0	0	0	109.9	N21 M27 A28 E29	N21-V25 WeakPolarHBondContact O-CB 3.33Å; N21-V25 WeakPolarHBondContact O-CG2 3.48Å; N21-V25 PolarHBondContact O-N 3.1Å; V25-M27 VanDerWaalsContact C-N 3.34Å; V25-M27 PolarHBondContact O-N 2.85Å; V25-A28 CarbonylContact O-C 3.57Å; V25-A28 WeakPolarHBondContact O-CA 3.46Å; V25-A28 WeakPolarHBondContact O-CB 3.41Å; V25-A28 PolarHBondContact O-N 3.02Å; V25-E29 HydrophobicContact CG1-CG 4.31Å; V25-E29 WeakPolarHBondContact CG1-OE1 3.37Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.76Å
26	W	96.1	Very high	95	Very high	144 Å²	144	94.9 Å²	94.9	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-57.6	-42.8	177	-177.5	81	0	0	0	112.6	I22 A28 E29 Q30	I22-W26 VanDerWaalsContact O-CB 3.26Å; I22-W26 WeakPolarHBondContact O-CB 3.21Å; I22-W26 PolarHBondContact O-N 2.96Å; W26-A28 VanDerWaalsContact C-N 3.28Å; W26-A28 PolarHBondContact O-N 2.82Å; W26-E29 PolarHBondContact O-N 3.35Å; W26-Q30 HydrophobicContact CD2-CG 3.83Å; W26-Q30 HydrophobicContact CE3-CG 4.16Å; W26-Q30 HydrophobicContact CG-CG 4.4Å; W26-Q30 HydrophobicContact CH2-CG 3.97Å; W26-Q30 HydrophobicContact CZ2-CG 3.61Å; W26-Q30 HydrophobicContact CZ3-CG 4.23Å; W26-Q30 WeakPolarHBondContact O-CB 3.35Å; W26-Q30 VanDerWaalsContact O-CG 3.24Å; W26-Q30 WeakPolarHBondContact O-CG 3.48Å; W26-Q30 PolarHBondContact O-N 3.37Å
27	M	96.6	Very high	95.2	Very high	86 Å²	86	97.9 Å²	97.9	42%	0.424	47%	0.474	S	S	.	.	H	α-helix	trans	-67.1	-26.3	175.1	-72.1	-172.9	-50.5	0	0	113.4	K23 K24 V25 K31	K23-M27 HydrophobicContact CG-CE 4.18Å; K23-M27 HydrophobicContact CG-CG 4.49Å; K23-M27 HydrophobicContact CG-SD 4.33Å; K23-M27 WeakPolarHBondContact O-CB 3.47Å; K23-M27 VanDerWaalsContact O-CG 3.26Å; K23-M27 WeakPolarHBondContact O-CG 3.47Å; K23-M27 PolarHBondContact O-N 2.69Å; K24-M27 PolarHBondContact O-N 3.36Å; V25-M27 VanDerWaalsContact C-N 3.34Å; V25-M27 PolarHBondContact O-N 2.85Å; M27-K31 WeakPolarHBondContact O-CB 3.36Å; M27-K31 VanDerWaalsContact O-CG 3.24Å; M27-K31 WeakPolarHBondContact O-CG 3.39Å; M27-K31 PolarHBondContact O-N 2.7Å
28	A	96.6	Very high	95.5	Very high	57 Å²	57	101.9 Å²	101.9	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-75.8	-43.2	172.4	0	0	0	0	0	111.3	K24 V25 W26 K31 L32	K24-A28 PolarHBondContact O-N 2.97Å; V25-A28 CarbonylContact O-C 3.57Å; V25-A28 WeakPolarHBondContact O-CA 3.46Å; V25-A28 WeakPolarHBondContact O-CB 3.41Å; V25-A28 PolarHBondContact O-N 3.02Å; W26-A28 VanDerWaalsContact C-N 3.28Å; W26-A28 PolarHBondContact O-N 2.82Å; A28-K31 PolarHBondContact O-N 3.07Å; A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.47Å
29	E	96.6	Very high	95.7	Very high	102 Å²	102	108 Å²	108	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-43	174.8	-68.1	166.9	164.7	0	0	111.9	V25 W26 K31 L32 T33	V25-E29 HydrophobicContact CG1-CG 4.31Å; V25-E29 WeakPolarHBondContact CG1-OE1 3.37Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.76Å; W26-E29 PolarHBondContact O-N 3.35Å; E29-K31 VanDerWaalsContact C-N 3.35Å; E29-L32 PolarHBondContact O-N 3.49Å; E29-T33 WeakPolarHBondContact O-CB 3.12Å; E29-T33 WeakPolarHBondContact O-CG2 3.46Å; E29-T33 PolarHBondContact O-N 3.05Å; E29-T33 PolarHBondContact O-OG1 3.16Å
30	Q	97.2	Very high	95.9	Very high	95 Å²	95	102.5 Å²	102.5	44%	0.444	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-34.8	175.7	-69.4	-58.7	-69.7	0	0	112.3	W26 T33 F34	W26-Q30 HydrophobicContact CD2-CG 3.83Å; W26-Q30 HydrophobicContact CE3-CG 4.16Å; W26-Q30 HydrophobicContact CG-CG 4.4Å; W26-Q30 HydrophobicContact CH2-CG 3.97Å; W26-Q30 HydrophobicContact CZ2-CG 3.61Å; W26-Q30 HydrophobicContact CZ3-CG 4.23Å; W26-Q30 WeakPolarHBondContact O-CB 3.35Å; W26-Q30 VanDerWaalsContact O-CG 3.24Å; W26-Q30 WeakPolarHBondContact O-CG 3.48Å; W26-Q30 PolarHBondContact O-N 3.37Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.38Å; Q30-T33 PolarHBondContact O-OG1 2.98Å; Q30-F34 VanDerWaalsContact O-CB 3.24Å; Q30-F34 WeakPolarHBondContact O-CB 3.42Å; Q30-F34 PolarHBondContact O-N 2.69Å; Q30-F34 VanDerWaalsContact O-N 3.08Å
31	K	96.9	Very high	95.9	Very high	138 Å²	138	104 Å²	104	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-68.6	-47.9	172.3	-78.2	174.9	178.5	-171.6	0	111.6	M27 A28 E29 T33 F34 E35	M27-K31 WeakPolarHBondContact O-CB 3.36Å; M27-K31 VanDerWaalsContact O-CG 3.24Å; M27-K31 WeakPolarHBondContact O-CG 3.39Å; M27-K31 PolarHBondContact O-N 2.7Å; A28-K31 PolarHBondContact O-N 3.07Å; E29-K31 VanDerWaalsContact C-N 3.35Å; K31-T33 PolarHBondContact O-N 3.41Å; K31-F34 PolarHBondContact O-N 3.2Å; K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 WeakPolarHBondContact O-CG 3.31Å; K31-E35 PolarHBondContact O-N 3.16Å
32	L	97.1	Very high	96	Very high	108 Å²	108	108.9 Å²	108.9	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-62.8	-42.3	-179.3	-167.6	159.7	0	0	0	111.2	A28 E29 E35 K36	A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.47Å; E29-L32 PolarHBondContact O-N 3.49Å; L32-E35 PolarHBondContact O-N 3.02Å; L32-K36 WeakPolarHBondContact O-CB 3.44Å; L32-K36 PolarHBondContact O-N 2.96Å
33	T	95.4	Very high	96	Very high	75 Å²	75	109.3 Å²	109.3	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-36.9	175.1	47.8	0	0	0	0	112.7	E29 Q30 K31 R37	E29-T33 WeakPolarHBondContact O-CB 3.12Å; E29-T33 WeakPolarHBondContact O-CG2 3.46Å; E29-T33 PolarHBondContact O-N 3.05Å; E29-T33 PolarHBondContact O-OG1 3.16Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.38Å; Q30-T33 PolarHBondContact O-OG1 2.98Å; K31-T33 PolarHBondContact O-N 3.41Å; T33-R37 WeakPolarHBondContact O-CB 3.4Å; T33-R37 PolarHBondContact O-N 3.15Å
34	F	96.3	Very high	95.9	Very high	138 Å²	138	108.5 Å²	108.5	61%	0.605	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-42.1	172.1	178.7	-96.9	0	0	0	112.8	Q30 K31 R37 K38	Q30-F34 VanDerWaalsContact O-CB 3.24Å; Q30-F34 WeakPolarHBondContact O-CB 3.42Å; Q30-F34 PolarHBondContact O-N 2.69Å; Q30-F34 VanDerWaalsContact O-N 3.08Å; K31-F34 PolarHBondContact O-N 3.2Å; F34-R37 PolarHBondContact O-N 2.98Å; F34-K38 WeakPolarHBondContact O-CB 3.44Å; F34-K38 PolarHBondContact O-N 3.31Å
35	E	96.2	Very high	95.6	Very high	112 Å²	112	106.2 Å²	106.2	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-42.8	177.5	-75	170.7	-168.6	0	0	111.6	K31 L32 K38 Q39	K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 WeakPolarHBondContact O-CG 3.31Å; K31-E35 PolarHBondContact O-N 3.16Å; L32-E35 PolarHBondContact O-N 3.02Å; E35-K38 PolarHBondContact O-N 3.33Å; E35-Q39 WeakPolarHBondContact O-CG 3.45Å; E35-Q39 PolarHBondContact O-N 3.36Å
36	K	97.1	Very high	95.5	Very high	107 Å²	107	108.7 Å²	108.7	47%	0.465	52%	0.519	S	S	.	.	H	α-helix	trans	-58.6	-47.8	172.1	-176.1	174.6	-173.3	-70.9	0	111.3	L32 K38 Q39 E40	L32-K36 WeakPolarHBondContact O-CB 3.44Å; L32-K36 PolarHBondContact O-N 2.96Å; K36-K38 VanDerWaalsContact C-N 3.35Å; K36-K38 PolarHBondContact O-N 3.44Å; K36-Q39 WeakPolarHBondContact O-CB 3.45Å; K36-Q39 PolarHBondContact O-N 3.16Å; K36-E40 IonicContact NZ-OE1 2.88Å; K36-E40 PolarHBondContact NZ-OE1 3.34Å; K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 3.3Å
37	R	96.4	Very high	95.3	Very high	162 Å²	162	106 Å²	106	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-60.4	-42.9	175.2	-176.5	176.1	-178.7	157.7	6.1	112.1	T33 F34 Q39 E40 D41	T33-R37 WeakPolarHBondContact O-CB 3.4Å; T33-R37 PolarHBondContact O-N 3.15Å; F34-R37 PolarHBondContact O-N 2.98Å; R37-Q39 VanDerWaalsContact C-N 3.3Å; R37-Q39 PolarHBondContact O-N 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.41Å; R37-E40 PolarHBondContact O-N 3.1Å; R37-D41 WeakPolarHBondContact O-CB 3.45Å; R37-D41 VanDerWaalsContact O-CG 3.22Å; R37-D41 PolarHBondContact O-N 2.99Å
38	K	96.9	Very high	94.9	Very high	134 Å²	134	107.1 Å²	107.1	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-63.9	-33.6	176.6	-176.1	-177.6	176.2	-172.9	0	112.5	F34 E35 K36 L42	F34-K38 WeakPolarHBondContact O-CB 3.44Å; F34-K38 PolarHBondContact O-N 3.31Å; E35-K38 PolarHBondContact O-N 3.33Å; K36-K38 VanDerWaalsContact C-N 3.35Å; K36-K38 PolarHBondContact O-N 3.44Å; K38-L42 WeakPolarHBondContact O-CB 3.36Å; K38-L42 PolarHBondContact O-N 3.09Å
39	Q	96.4	Very high	94.4	Very high	135 Å²	135	110.6 Å²	110.6	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-70.9	-41	172	-72.4	170.2	-22.1	0	0	111.6	E35 K36 R37 L42 M43	E35-Q39 WeakPolarHBondContact O-CG 3.45Å; E35-Q39 PolarHBondContact O-N 3.36Å; K36-Q39 WeakPolarHBondContact O-CB 3.45Å; K36-Q39 PolarHBondContact O-N 3.16Å; R37-Q39 VanDerWaalsContact C-N 3.3Å; R37-Q39 PolarHBondContact O-N 3.28Å; Q39-L42 PolarHBondContact O-N 3.08Å; Q39-M43 WeakPolarHBondContact O-CB 3.49Å; Q39-M43 PolarHBondContact O-N 2.84Å
40	E	95.6	Very high	94	Very high	70 Å²	70	109 Å²	109	33%	0.327	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-45.8	175.2	-72.3	165	171.4	0	0	111.9	K36 R37 L42 M43 Q44	K36-E40 IonicContact NZ-OE1 2.88Å; K36-E40 PolarHBondContact NZ-OE1 3.34Å; K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 3.3Å; R37-E40 WeakPolarHBondContact O-CB 3.41Å; R37-E40 PolarHBondContact O-N 3.1Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.33Å; E40-M43 PolarHBondContact O-N 2.88Å; E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 VanDerWaalsContact O-CG 3.3Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.46Å
41	D	92.5	Very high	93.4	Very high	83 Å²	83	108.9 Å²	108.9	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-59.4	-41	175.2	-68.5	-26	0	0	0	111.1	R37 A45	R37-D41 WeakPolarHBondContact O-CB 3.45Å; R37-D41 VanDerWaalsContact O-CG 3.22Å; R37-D41 PolarHBondContact O-N 2.99Å; D41-A45 WeakPolarHBondContact O-CB 3.26Å; D41-A45 PolarHBondContact O-N 3.34Å
42	L	95.1	Very high	92.6	Very high	124 Å²	124	105 Å²	105	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-70.2	-39	177.4	-173.7	150.6	0	0	0	112.1	K38 Q39 E40 A45 Y46	K38-L42 WeakPolarHBondContact O-CB 3.36Å; K38-L42 PolarHBondContact O-N 3.09Å; Q39-L42 PolarHBondContact O-N 3.08Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.33Å; L42-A45 PolarHBondContact O-N 3.11Å; L42-Y46 PolarHBondContact O-N 3.28Å
43	M	93.5	Very high	91.8	Very high	104 Å²	104	106.5 Å²	106.5	51%	0.512	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-42.7	174.1	-176.3	-174.6	71.6	0	0	111.4	Q39 E40 A45 Y46 L47	Q39-M43 WeakPolarHBondContact O-CB 3.49Å; Q39-M43 PolarHBondContact O-N 2.84Å; E40-M43 PolarHBondContact O-N 2.88Å; M43-A45 VanDerWaalsContact C-N 3.34Å; M43-A45 PolarHBondContact O-N 2.97Å; M43-Y46 PolarHBondContact O-N 3.34Å; M43-L47 HydrophobicContact CG-CD1 4.19Å; M43-L47 WeakPolarHBondContact O-CG 3.32Å; M43-L47 PolarHBondContact O-N 2.85Å
44	Q	94.1	Very high	91.3	Very high	118 Å²	118	106.8 Å²	106.8	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-40.6	174.4	-73.6	176.4	34.2	0	0	111.6	E40 L47 K48	E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 VanDerWaalsContact O-CG 3.3Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.46Å; Q44-L47 PolarHBondContact O-N 3.22Å; Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 PolarHBondContact O-N 3.26Å
45	A	89.5	Confident	90.7	Very high	59 Å²	59	104.6 Å²	104.6	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-42.9	174	0	0	0	0	0	112.1	D41 L42 M43 E49	D41-A45 WeakPolarHBondContact O-CB 3.26Å; D41-A45 PolarHBondContact O-N 3.34Å; L42-A45 PolarHBondContact O-N 3.11Å; M43-A45 VanDerWaalsContact C-N 3.34Å; M43-A45 PolarHBondContact O-N 2.97Å; A45-E49 PolarHBondContact O-N 3.11Å
46	Y	93.1	Very high	89.6	Confident	132 Å²	132	103.2 Å²	103.2	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-46.1	175.5	173.1	-99.5	0	0	0	112.8	L42 M43 K48 E49 Q50	L42-Y46 PolarHBondContact O-N 3.28Å; M43-Y46 PolarHBondContact O-N 3.34Å; Y46-K48 VanDerWaalsContact C-N 3.34Å; Y46-K48 PolarHBondContact O-N 3.33Å; Y46-E49 PolarHBondContact O-N 2.59Å; Y46-E49 VanDerWaalsContact O-N 3.14Å; Y46-Q50 HydrophobicContact CD1-CG 4.37Å; Y46-Q50 HydrophobicContact CE1-CG 3.88Å; Y46-Q50 HydrophobicContact CE2-CG 4.14Å; Y46-Q50 WeakPolarHBondContact O-CG 3.43Å; Y46-Q50 PolarHBondContact O-N 3.03Å; Y46-Q50 PolarHBondContact OH-NE2 2.93Å
47	L	92.1	Very high	88.7	Confident	88 Å²	88	103.7 Å²	103.7	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-44.4	176.7	-71.9	170.7	0	0	0	111	M43 Q44 E49 Q50 D51	M43-L47 HydrophobicContact CG-CD1 4.19Å; M43-L47 WeakPolarHBondContact O-CG 3.32Å; M43-L47 PolarHBondContact O-N 2.85Å; Q44-L47 PolarHBondContact O-N 3.22Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.38Å; L47-Q50 WeakPolarHBondContact O-CB 3.31Å; L47-Q50 PolarHBondContact O-N 3.33Å; L47-D51 PolarHBondContact O-N 3.06Å
48	K	88.6	Confident	87.6	Confident	108 Å²	108	103 Å²	103	47%	0.47	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-38.8	173.8	-171.2	-163.7	-176.1	-153.7	0	112	Q44 Y46 D51 T52 E73	Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 PolarHBondContact O-N 3.26Å; Y46-K48 VanDerWaalsContact C-N 3.34Å; Y46-K48 PolarHBondContact O-N 3.33Å; K48-D51 PolarHBondContact O-N 3.17Å; K48-T52 VanDerWaalsContact O-CG2 3.32Å; K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.38Å; K48-T52 PolarHBondContact O-OG1 3.14Å; K48-E73 WeakPolarHBondContact CE-OE1 3.36Å; K48-E73 IonicContact NZ-OE1 2.69Å; K48-E73 PolarHBondContact NZ-OE1 3.39Å
49	E	86.1	Confident	86	Confident	130 Å²	130	103.2 Å²	103.2	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-64.2	-45.8	174.2	-172.4	172.2	-165.4	0	0	111	A45 Y46 L47 D51 T52 Y53	A45-E49 PolarHBondContact O-N 3.11Å; Y46-E49 PolarHBondContact O-N 2.59Å; Y46-E49 VanDerWaalsContact O-N 3.14Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.38Å; E49-D51 PolarHBondContact O-N 3.13Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 PolarHBondContact O-OG1 3.27Å; E49-Y53 WeakPolarHBondContact O-CB 3.38Å; E49-Y53 PolarHBondContact O-N 3.32Å
50	Q	89	Confident	84.4	Confident	69 Å²	69	99.3 Å²	99.3	32%	0.322	50%	0.504	S	S	.	.	H	α-helix	trans	-58.6	-44.4	173.8	-67.9	-61.5	-36.8	0	0	112	Y46 L47 Y53 N54	Y46-Q50 HydrophobicContact CD1-CG 4.37Å; Y46-Q50 HydrophobicContact CE1-CG 3.88Å; Y46-Q50 HydrophobicContact CE2-CG 4.14Å; Y46-Q50 WeakPolarHBondContact O-CG 3.43Å; Y46-Q50 PolarHBondContact O-N 3.03Å; Y46-Q50 PolarHBondContact OH-NE2 2.93Å; L47-Q50 WeakPolarHBondContact O-CB 3.31Å; L47-Q50 PolarHBondContact O-N 3.33Å; Q50-Y53 WeakPolarHBondContact O-CB 3.4Å; Q50-Y53 PolarHBondContact O-N 3.04Å; Q50-N54 WeakPolarHBondContact O-CB 3.41Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.1Å; Q50-N54 PolarHBondContact O-ND2 3.03Å
51	D	83.5	Confident	82.6	Confident	92 Å²	92	100.7 Å²	100.7	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-42.3	176	-75.8	-26.9	0	0	0	112	L47 K48 E49 Y53 N54 N55	L47-D51 PolarHBondContact O-N 3.06Å; K48-D51 PolarHBondContact O-N 3.17Å; E49-D51 PolarHBondContact O-N 3.13Å; D51-Y53 VanDerWaalsContact C-N 3.3Å; D51-Y53 PolarHBondContact O-N 3.14Å; D51-N54 PolarHBondContact O-N 3.34Å; D51-N55 VanDerWaalsContact O-CB 3.3Å; D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 3.28Å; D51-N55 PolarHBondContact O-ND2 2.86Å
52	T	80.4	Confident	80.9	Confident	57 Å²	57	102.3 Å²	102.3	35%	0.35	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-36.2	174.1	63.9	0	0	0	0	111.4	K48 E49 R56	K48-T52 VanDerWaalsContact O-CG2 3.32Å; K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.38Å; K48-T52 PolarHBondContact O-OG1 3.14Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 PolarHBondContact O-OG1 3.27Å; T52-R56 WeakPolarHBondContact O-CB 3.27Å; T52-R56 PolarHBondContact O-N 3.33Å
53	Y	80.8	Confident	79.2	Confident	140 Å²	140	107.6 Å²	107.6	55%	0.549	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175	-177.3	-91.5	0	0	0	112.1	E49 Q50 D51 R56 L57	E49-Y53 WeakPolarHBondContact O-CB 3.38Å; E49-Y53 PolarHBondContact O-N 3.32Å; Q50-Y53 WeakPolarHBondContact O-CB 3.4Å; Q50-Y53 PolarHBondContact O-N 3.04Å; D51-Y53 VanDerWaalsContact C-N 3.3Å; D51-Y53 PolarHBondContact O-N 3.14Å; Y53-R56 CarbonylContact O-C 3.58Å; Y53-R56 WeakPolarHBondContact O-CB 3.2Å; Y53-R56 PolarHBondContact O-N 3.1Å; Y53-L57 WeakPolarHBondContact O-CB 3.1Å; Y53-L57 PolarHBondContact O-N 3.26Å
54	N	84.9	Confident	77.4	Confident	80 Å²	80	106.1 Å²	106.1	43%	0.428	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-48.1	178.6	-70.4	-29	0	0	0	111.6	Q50 D51 R56 L57 L58	Q50-N54 WeakPolarHBondContact O-CB 3.41Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.1Å; Q50-N54 PolarHBondContact O-ND2 3.03Å; D51-N54 PolarHBondContact O-N 3.34Å; N54-R56 VanDerWaalsContact C-N 3.29Å; N54-R56 PolarHBondContact O-N 3.43Å; N54-L57 WeakPolarHBondContact O-CB 3.41Å; N54-L57 PolarHBondContact O-N 3.2Å; N54-L58 PolarHBondContact O-N 3.37Å
55	N	82.5	Confident	75.9	Confident	92 Å²	92	102 Å²	102	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-40.7	173	-80.1	-77.1	0	0	0	111.6	D51 L58 M59	D51-N55 VanDerWaalsContact O-CB 3.3Å; D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 3.28Å; D51-N55 PolarHBondContact O-ND2 2.86Å; N55-L58 WeakPolarHBondContact O-CB 3.37Å; N55-L58 PolarHBondContact O-N 3.4Å; N55-M59 WeakPolarHBondContact O-CB 3.5Å; N55-M59 WeakPolarHBondContact O-CG 3.47Å; N55-M59 PolarHBondContact O-N 3.1Å
56	R	74.4	Confident	74.5	Confident	83 Å²	83	105.3 Å²	105.3	31%	0.313	52%	0.52	S	S	.	.	H	α-helix	trans	-68.3	-30.9	178	174.7	-176.4	175.1	150.9	2.7	113.2	T52 Y53 N54 K65 N66	T52-R56 WeakPolarHBondContact O-CB 3.27Å; T52-R56 PolarHBondContact O-N 3.33Å; Y53-R56 CarbonylContact O-C 3.58Å; Y53-R56 WeakPolarHBondContact O-CB 3.2Å; Y53-R56 PolarHBondContact O-N 3.1Å; N54-R56 VanDerWaalsContact C-N 3.29Å; N54-R56 PolarHBondContact O-N 3.43Å; R56-K65 HydrophobicContact CG-CB 4.27Å; R56-K65 HydrophobicContact CG-CD 3.66Å; R56-K65 HydrophobicContact CG-CG 4.13Å; R56-K65 PolarHBondContact NH1-O 3.21Å; R56-K65 PolarHBondContact NH2-O 3.16Å; R56-K65 WeakPolarHBondContact O-CE 3.39Å; R56-K65 PolarHBondContact O-NZ 2.8Å; R56-N66 PolarHBondContact NH2-ND2 3.43Å; R56-N66 PolarHBondContact NH2-OD1 3.18Å
57	L	76.5	Confident	72.9	Confident	117 Å²	117	102.6 Å²	102.6	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-66.7	-51.3	170.6	-177.1	60.9	0	0	0	109.5	Y53 N54 M59 G60	Y53-L57 WeakPolarHBondContact O-CB 3.1Å; Y53-L57 PolarHBondContact O-N 3.26Å; N54-L57 WeakPolarHBondContact O-CB 3.41Å; N54-L57 PolarHBondContact O-N 3.2Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 PolarHBondContact O-N 2.88Å; L57-G60 PolarHBondContact O-N 3.05Å
58	L	73.6	Confident	71.5	Confident	147 Å²	147	101 Å²	101	77%	0.77	52%	0.524	S	S	*	.	H	α-helix	trans	-57.1	-36.9	177.4	-135.3	71.1	0	0	0	113.1	N54 N55 G60	N54-L58 PolarHBondContact O-N 3.37Å; N55-L58 WeakPolarHBondContact O-CB 3.37Å; N55-L58 PolarHBondContact O-N 3.4Å; L58-G60 VanDerWaalsContact C-N 3.26Å; L58-G60 PolarHBondContact O-N 3.48Å
59	M	64.3	Low	70.5	Confident	140 Å²	140	99.2 Å²	99.2	69%	0.69	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	8	-177.3	-69.6	-71.7	162.5	0	0	115.4	N55 L57 D61	N55-M59 WeakPolarHBondContact O-CB 3.5Å; N55-M59 WeakPolarHBondContact O-CG 3.47Å; N55-M59 PolarHBondContact O-N 3.1Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 PolarHBondContact O-N 2.88Å; M59-D61 VanDerWaalsContact C-N 3.33Å; M59-D61 PolarHBondContact O-N 3.06Å
60	G	61.6	Low	69.5	Low	53 Å²	53	102.4 Å²	102.4	55%	0.546	53%	0.532	S	S	.	.			trans	70.2	-47.6	154.5	0	0	0	0	0	120.3	L57 L58 D62 K65	L57-G60 PolarHBondContact O-N 3.05Å; L58-G60 VanDerWaalsContact C-N 3.26Å; L58-G60 PolarHBondContact O-N 3.48Å; G60-D62 PolarHBondContact O-N 3.29Å; G60-K65 PolarHBondContact O-NZ 3.09Å
61	D	57.8	Low	68.4	Low	99 Å²	99	104.8 Å²	104.8	53%	0.529	54%	0.544	S	S	.	.			trans	-94.9	85.2	-163.5	-166	0.9	0	0	0	115.1	M59 R63 V64 K65	M59-D61 VanDerWaalsContact C-N 3.33Å; M59-D61 PolarHBondContact O-N 3.06Å; D61-R63 PolarHBondContact O-N 3.11Å; D61-V64 PolarHBondContact O-N 3Å; D61-K65 VanDerWaalsContact C-CE 3.46Å; D61-K65 VanDerWaalsContact N-CE 3.26Å; D61-K65 WeakPolarHBondContact O-CG 3.45Å
62	D	57.7	Low	67.6	Low	117 Å²	117	108.5 Å²	108.5	63%	0.626	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-13.5	-171.6	-67.6	-20.6	0	0	0	116.5	G60 V64 K65	G60-D62 PolarHBondContact O-N 3.29Å; D62-V64 VanDerWaalsContact C-N 3.3Å; D62-V64 PolarHBondContact O-N 2.92Å; D62-K65 WeakPolarHBondContact OD1-CD 3.41Å; D62-K65 WeakPolarHBondContact OD1-CE 3.3Å; D62-K65 IonicContact OD1-NZ 3.76Å; D62-K65 PolarHBondContact OD1-NZ 3.38Å
63	R	59.3	Low	66.8	Low	235 Å²	235	109.2 Å²	109.2	89%	0.887	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-9.5	-175.6	-62.7	-179.4	61.6	-150.6	-10.1	113.7	D61	D61-R63 PolarHBondContact O-N 3.11Å
64	V	56.7	Low	66.4	Low	73 Å²	73	104.5 Å²	104.5	44%	0.442	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-27.7	179.9	-174.1	0	0	0	0	111.4	D61 D62 N66 L68	D61-V64 PolarHBondContact O-N 3Å; D62-V64 VanDerWaalsContact C-N 3.3Å; D62-V64 PolarHBondContact O-N 2.92Å; V64-N66 PolarHBondContact O-N 2.7Å; V64-L68 HydrophobicContact CG1-CD1 3.47Å; V64-L68 VanDerWaalsContact CG1-CD1 3.47Å
65	K	61.9	Low	65.5	Low	32 Å²	32	104.5 Å²	104.5	14%	0.139	55%	0.546	C	S	.	.	S	Bend	trans	-68.2	-24.1	-160.1	-66.4	175.7	-169.9	175	0	117.6	R56 G60 D61 D62	R56-K65 HydrophobicContact CG-CB 4.27Å; R56-K65 HydrophobicContact CG-CD 3.66Å; R56-K65 HydrophobicContact CG-CG 4.13Å; R56-K65 PolarHBondContact NH1-O 3.21Å; R56-K65 PolarHBondContact NH2-O 3.16Å; R56-K65 WeakPolarHBondContact O-CE 3.39Å; R56-K65 PolarHBondContact O-NZ 2.8Å; G60-K65 PolarHBondContact O-NZ 3.09Å; D61-K65 VanDerWaalsContact C-CE 3.46Å; D61-K65 VanDerWaalsContact N-CE 3.26Å; D61-K65 WeakPolarHBondContact O-CG 3.45Å; D62-K65 WeakPolarHBondContact OD1-CD 3.41Å; D62-K65 WeakPolarHBondContact OD1-CE 3.3Å; D62-K65 IonicContact OD1-NZ 3.76Å; D62-K65 PolarHBondContact OD1-NZ 3.38Å
66	N	59.6	Low	64.4	Low	128 Å²	128	106.8 Å²	106.8	68%	0.684	57%	0.566	S	S	*	*	S	Bend	trans	-93.5	-35.9	-176	-75.5	86.4	0	0	0	114.6	R56 V64 L68	R56-N66 PolarHBondContact NH2-ND2 3.43Å; R56-N66 PolarHBondContact NH2-OD1 3.18Å; V64-N66 PolarHBondContact O-N 2.7Å; N66-L68 PolarHBondContact O-N 3.03Å
67	G	60.4	Low	63.8	Low	74 Å²	74	107 Å²	107	76%	0.763	59%	0.594	S	S	*	*	S	Bend	trans	-86.9	-1.6	-169.8	0	0	0	0	0	115.3
68	L	61.6	Low	62.9	Low	54 Å²	54	103.8 Å²	103.8	28%	0.283	59%	0.585	S	S	.	*	S	Bend	trans	-126.3	1.9	-167	-78.5	160.6	0	0	0	114.4	V64 N66 F70 M71 Y72	V64-L68 HydrophobicContact CG1-CD1 3.47Å; V64-L68 VanDerWaalsContact CG1-CD1 3.47Å; N66-L68 PolarHBondContact O-N 3.03Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 2.94Å; L68-M71 HydrophobicContact CD2-CB 4.05Å; L68-M71 HydrophobicContact CD2-CE 3.69Å; L68-M71 HydrophobicContact CD2-SD 3.66Å; L68-M71 WeakPolarHBondContact O-CB 3.19Å; L68-M71 PolarHBondContact O-N 3.48Å; L68-Y72 HydrophobicContact CB-CD2 4.07Å; L68-Y72 HydrophobicContact CB-CE2 3.99Å; L68-Y72 HydrophobicContact CD1-CE2 4.48Å; L68-Y72 HydrophobicContact CD2-CE2 4.26Å; L68-Y72 HydrophobicContact CG-CE2 4.48Å; L68-Y72 WeakPolarHBondContact O-CD2 3.41Å; L68-Y72 PolarHBondContact O-N 2.88Å
69	N	67.1	Low	61.6	Low	72 Å²	72	102 Å²	102	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-59	-46.6	179.9	-157.7	77.8	0	0	0	111.2	M71 Y72 E73	N69-M71 PolarHBondContact O-N 3.17Å; N69-Y72 PolarHBondContact O-N 3.03Å; N69-Y72 VanDerWaalsContact O-N 3.14Å; N69-E73 PolarHBondContact ND2-OE2 2.91Å; N69-E73 WeakPolarHBondContact O-CB 3.14Å; N69-E73 PolarHBondContact O-N 3.26Å
70	F	65.7	Low	61.1	Low	196 Å²	196	103.6 Å²	103.6	86%	0.86	59%	0.587	S	S	*	*	H	α-helix	trans	-58.6	-14.9	173.6	-177.4	-99	0	0	0	115	L68	L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 2.94Å
71	M	66.9	Low	60.3	Low	120 Å²	120	109.8 Å²	109.8	59%	0.591	60%	0.602	S	S	*	*	H	α-helix	trans	-100	-15.4	-179.9	-154.5	-170.9	79.8	0	0	113.5	L68 N69	L68-M71 HydrophobicContact CD2-CB 4.05Å; L68-M71 HydrophobicContact CD2-CE 3.69Å; L68-M71 HydrophobicContact CD2-SD 3.66Å; L68-M71 WeakPolarHBondContact O-CB 3.19Å; L68-M71 PolarHBondContact O-N 3.48Å; N69-M71 PolarHBondContact O-N 3.17Å
72	Y	66.8	Low	59.7	Low	169 Å²	169	113.7 Å²	113.7	66%	0.663	62%	0.617	S	S	*	*	H	α-helix	trans	-120.8	-22.1	-178.3	-66.9	-63	0	0	0	113.6	L68 N69	L68-Y72 HydrophobicContact CB-CD2 4.07Å; L68-Y72 HydrophobicContact CB-CE2 3.99Å; L68-Y72 HydrophobicContact CD1-CE2 4.48Å; L68-Y72 HydrophobicContact CD2-CE2 4.26Å; L68-Y72 HydrophobicContact CG-CE2 4.48Å; L68-Y72 WeakPolarHBondContact O-CD2 3.41Å; L68-Y72 PolarHBondContact O-N 2.88Å; N69-Y72 PolarHBondContact O-N 3.03Å; N69-Y72 VanDerWaalsContact O-N 3.14Å
73	E	63.8	Low	58.9	Low	72 Å²	72	115.5 Å²	115.5	34%	0.336	62%	0.619	S	S	.	*	S	Bend	trans	-85.6	116.5	166.7	-174.7	156.3	-152.4	0	0	109.3	K48 N69	K48-E73 WeakPolarHBondContact CE-OE1 3.36Å; K48-E73 IonicContact NZ-OE1 2.69Å; K48-E73 PolarHBondContact NZ-OE1 3.39Å; N69-E73 PolarHBondContact ND2-OE2 2.91Å; N69-E73 WeakPolarHBondContact O-CB 3.14Å; N69-E73 PolarHBondContact O-N 3.26Å
74	A	72	Confident	57.9	Low	42 Å²	42	114.4 Å²	114.4	35%	0.347	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-62.3	131.4	178.7	0	0	0	0	0	110	A78	A74-A78 HydrophobicContact CB-CB 4.24Å
75	P	66.3	Low	57.3	Low	79 Å²	79	117.5 Å²	117.5	51%	0.513	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-64.7	151.9	-178	26.5	-34.6	0	0	0	111.3	G77 A78	P75-G77 PolarHBondContact O-N 3.27Å; P75-A78 HydrophobicContact CG-CB 4.04Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 2.96Å
76	P	58.3	Low	56	Low	141 Å²	141	125.2 Å²	125.2	92%	0.916	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	127.9	179.4	-28.3	35.7	0	0	0	112.4
77	G	61.4	Low	55.2	Low	86 Å²	86	123 Å²	123	89%	0.887	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.8	-19.8	-174.7	0	0	0	0	0	115	P75 S79	P75-G77 PolarHBondContact O-N 3.27Å; G77-S79 PolarHBondContact O-N 2.8Å; G77-S79 VanDerWaalsContact O-N 3.12Å
78	A	58.1	Low	54	Low	51 Å²	51	128.1 Å²	128.1	42%	0.421	68%	0.678	S	S	.	*	S	Bend	trans	-78.3	93.9	165.1	0	0	0	0	0	108.7	A74 P75 K80	A74-A78 HydrophobicContact CB-CB 4.24Å; P75-A78 HydrophobicContact CG-CB 4.04Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 2.96Å; A78-K80 PolarHBondContact O-N 3.41Å
79	S	46	Very low	53.5	Low	109 Å²	109	133.8 Å²	133.8	76%	0.762	70%	0.703	S	S	*	*			trans	-52.5	113.1	176.2	56	0	0	0	0	109.8	G77 E81	G77-S79 PolarHBondContact O-N 2.8Å; G77-S79 VanDerWaalsContact O-N 3.12Å; S79-E81 PolarHBondContact O-N 3.32Å
80	K	54.4	Low	52.6	Low	174 Å²	174	138.4 Å²	138.4	76%	0.757	72%	0.723	S	S	*	*			trans	-71.6	85.8	171.6	-167.8	-179.1	-175.5	-173.2	0	106.8	A78 E82	A78-K80 PolarHBondContact O-N 3.41Å; K80-E82 PolarHBondContact O-N 2.87Å
81	E	44.9	Very low	52	Low	183 Å²	183	132.5 Å²	132.5	86%	0.855	71%	0.705	S	S	*	*			trans	-46.2	111	-174.2	-172.6	172	-148.1	0	0	109.3	S79 K83	S79-E81 PolarHBondContact O-N 3.32Å; E81-K83 PolarHBondContact O-N 2.69Å; E81-K83 VanDerWaalsContact O-N 3.13Å
82	E	45	Very low	51.8	Low	181 Å²	181	134.9 Å²	134.9	85%	0.846	71%	0.712	S	S	*	*			trans	-65.1	121.4	-168.9	-70.7	-176	143	0	0	108.6	K80 K84	K80-E82 PolarHBondContact O-N 2.87Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.28Å
83	K	41.3	Very low	51	Low	154 Å²	154	131.3 Å²	131.3	67%	0.67	70%	0.7	S	S	*	*			trans	-68.7	91	-175.4	-172.8	-166.8	176.3	-148.3	0	107.4	E81 E85	E81-K83 PolarHBondContact O-N 2.69Å; E81-K83 VanDerWaalsContact O-N 3.13Å; K83-E85 HydrophobicContact CD-CG 4.34Å; K83-E85 WeakPolarHBondContact CD-OE2 3.36Å; K83-E85 WeakPolarHBondContact CE-OE1 3.49Å; K83-E85 WeakPolarHBondContact CE-OE2 3.22Å; K83-E85 HydrophobicContact CG-CG 4.2Å; K83-E85 IonicContact NZ-OE1 2.67Å; K83-E85 PolarHBondContact NZ-OE1 2.96Å; K83-E85 IonicContact NZ-OE2 3.94Å; K83-E85 PolarHBondContact NZ-OE2 3.32Å; K83-E85 PolarHBondContact O-N 3.27Å
84	K	38.7	Very low	50.5	Low	213 Å²	213	136.1 Å²	136.1	93%	0.926	72%	0.722	S	S	*	*			trans	-53.2	97	174.5	-78.9	-167.6	168.8	-159.8	0	110	E82	E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.28Å
85	E	44	Very low	49.9	Very low	137 Å²	137	141.7 Å²	141.7	64%	0.64	74%	0.735	S	S	*	*			trans	-124.8	70.3	173	-80.1	-175.2	142.6	0	0	108.9	K83	K83-E85 HydrophobicContact CD-CG 4.34Å; K83-E85 WeakPolarHBondContact CD-OE2 3.36Å; K83-E85 WeakPolarHBondContact CE-OE1 3.49Å; K83-E85 WeakPolarHBondContact CE-OE2 3.22Å; K83-E85 HydrophobicContact CG-CG 4.2Å; K83-E85 IonicContact NZ-OE1 2.67Å; K83-E85 PolarHBondContact NZ-OE1 2.96Å; K83-E85 IonicContact NZ-OE2 3.94Å; K83-E85 PolarHBondContact NZ-OE2 3.32Å; K83-E85 PolarHBondContact O-N 3.27Å
86	E	34.5	Very low	49.2	Very low	195 Å²	195	141 Å²	141	91%	0.911	72%	0.724	S	S	*	*	S	Bend	trans	-159.9	141.4	159.1	-124.1	166.4	-148.2	0	0	112.9	E88	E86-E88 PolarHBondContact O-N 2.97Å
87	G	42.3	Very low	49.1	Very low	80 Å²	80	140.3 Å²	140.3	83%	0.825	71%	0.707	S	S	*	*	S	Bend	trans	98.6	-63.4	138.4	0	0	0	0	0	118.4
88	E	35.1	Very low	48.3	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	70%	0.701	S	S	*	*			trans	-108.4	113.1	-161.4	-68.4	-171.1	174.4	0	0	114.2	E86 E90	E86-E88 PolarHBondContact O-N 2.97Å; E88-E90 PolarHBondContact O-N 3.45Å
89	E	51.4	Low	48.1	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	69%	0.694	S	S	*	*			trans	-69.4	96	164.5	-65.6	-161.3	157.4	0	0	109.9	C91	E89-C91 PolarHBondContact O-N 2.91Å
90	E	48.3	Very low	48.4	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	70%	0.7	S	S	*	*			trans	-56.2	103.7	175	-70.8	-170.6	117.6	0	0	110.5	E88 K92	E88-E90 PolarHBondContact O-N 3.45Å; E90-K92 PolarHBondContact O-N 3.15Å; E90-K92 VanDerWaalsContact O-N 3.1Å
91	C	52.1	Low	48.5	Very low	72 Å²	72	139.4 Å²	139.4	49%	0.486	68%	0.683	S	S	.	*			trans	-44.9	120.2	-178.5	-80.8	0	0	0	0	111.1	E89 F93 K97	E89-C91 PolarHBondContact O-N 2.91Å; C91-F93 CarbonylContact O-C 3.51Å; C91-F93 PolarHBondContact O-N 3.41Å; C91-K97 HydrophobicContact CB-CG 3.91Å
92	K	63	Low	49.2	Very low	170 Å²	170	137.9 Å²	137.9	74%	0.739	68%	0.676	S	S	*	*	S	Bend	trans	-60.4	-13.9	-158	-165.7	170.2	-179.6	176.3	0	115.5	E90	E90-K92 PolarHBondContact O-N 3.15Å; E90-K92 VanDerWaalsContact O-N 3.1Å
93	F	49.7	Very low	49.9	Very low	94 Å²	94	138.2 Å²	138.2	41%	0.412	68%	0.675	S	S	.	*	S	Bend	trans	-135.7	131.6	170.5	-57.3	-75.8	0	0	0	109.9	C91 W95 Q96	C91-F93 CarbonylContact O-C 3.51Å; C91-F93 PolarHBondContact O-N 3.41Å; F93-W95 VanDerWaalsContact C-N 3.32Å; F93-W95 PolarHBondContact O-N 3.37Å; F93-Q96 HydrophobicContact CB-CB 4.39Å; F93-Q96 VanDerWaalsContact O-CB 3.31Å; F93-Q96 WeakPolarHBondContact O-CB 2.81Å; F93-Q96 PolarHBondContact O-N 2.64Å; F93-Q96 VanDerWaalsContact O-N 3.09Å
94	E	54	Low	50.6	Low	173 Å²	173	141 Å²	141	81%	0.808	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-64.9	-33.3	-173.3	-63.4	-179.1	145.2	0	0	113.1	Q96 K97	E94-Q96 PolarHBondContact O-N 3.27Å; E94-K97 WeakPolarHBondContact O-CB 3.22Å; E94-K97 PolarHBondContact O-N 2.97Å
95	W	58.3	Low	51.6	Low	159 Å²	159	132.2 Å²	132.2	60%	0.602	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-66.2	-25	176.1	66.1	-96.9	0	0	0	113.3	F93 K97 V98	F93-W95 VanDerWaalsContact C-N 3.32Å; F93-W95 PolarHBondContact O-N 3.37Å; W95-K97 PolarHBondContact O-N 2.83Å; W95-V98 PolarHBondContact O-N 2.64Å
96	Q	52.9	Low	52.4	Low	64 Å²	64	132.5 Å²	132.5	30%	0.299	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-71	-15.8	179.8	-161.6	173.6	0.6	0	0	112.2	F93 E94 V98	F93-Q96 HydrophobicContact CB-CB 4.39Å; F93-Q96 VanDerWaalsContact O-CB 3.31Å; F93-Q96 WeakPolarHBondContact O-CB 2.81Å; F93-Q96 PolarHBondContact O-N 2.64Å; F93-Q96 VanDerWaalsContact O-N 3.09Å; E94-Q96 PolarHBondContact O-N 3.27Å; Q96-V98 PolarHBondContact O-N 3.29Å
97	K	55.2	Low	53.4	Low	127 Å²	127	129.9 Å²	129.9	55%	0.552	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-72.9	-8.4	176.5	-62.6	-173.4	175.4	-175.2	0	114.3	C91 E94 W95	C91-K97 HydrophobicContact CB-CG 3.91Å; E94-K97 WeakPolarHBondContact O-CB 3.22Å; E94-K97 PolarHBondContact O-N 2.97Å; W95-K97 PolarHBondContact O-N 2.83Å
98	V	46.1	Very low	54.1	Low	126 Å²	126	131 Å²	131	76%	0.764	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-127.3	5.1	-176.5	-157.9	0	0	0	0	112.2	W95 Q96	W95-V98 PolarHBondContact O-N 2.64Å; Q96-V98 PolarHBondContact O-N 3.29Å
99	A	52.8	Low	55.1	Low	33 Å²	33	130.3 Å²	130.3	27%	0.273	63%	0.627	S	S	.	*	S	Bend	trans	-69.8	128.8	176.4	0	0	0	0	0	110.6	R101	A99-R101 PolarHBondContact O-N 3.41Å; A99-R101 VanDerWaalsContact O-N 3.08Å
100	P	51.8	Low	55.4	Low	136 Å²	136	129.4 Å²	129.4	88%	0.883	63%	0.628	S	S	*	*			trans	-62.2	112.2	173.8	-22.7	34.3	0	0	0	110.9
101	R	57.6	Low	55.8	Low	107 Å²	107	125.8 Å²	125.8	40%	0.404	61%	0.613	S	S	.	*			trans	-109.7	136.9	172.6	-77.5	-174.6	163.6	-162.2	-0.8	110.4	A99 D113	A99-R101 PolarHBondContact O-N 3.41Å; A99-R101 VanDerWaalsContact O-N 3.08Å; R101-D113 IonicContact CZ-OD2 3.64Å; R101-D113 VanDerWaalsContact CZ-OD2 3.24Å; R101-D113 IonicContact NE-OD2 3.48Å; R101-D113 PolarHBondContact NE-OD2 2.96Å; R101-D113 IonicContact NH2-OD2 2.88Å; R101-D113 PolarHBondContact NH2-OD2 2.66Å
102	E	60	Low	56	Low	151 Å²	151	133.3 Å²	133.3	71%	0.706	63%	0.631	S	S	*	*			trans	-64.5	148.4	176	-61.6	-167.7	149	0	0	111.6	Y104 A105	E102-Y104 PolarHBondContact O-N 2.82Å; E102-Y104 VanDerWaalsContact O-N 3.14Å; E102-A105 PolarHBondContact O-N 3.13Å; E102-A105 VanDerWaalsContact O-N 3.16Å
103	K	58.8	Low	55.4	Low	188 Å²	188	127.8 Å²	127.8	82%	0.817	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-62.5	-26.1	-170.3	-65.9	179.9	-179.3	175.9	0	113.7
104	Y	56.6	Low	55.8	Low	211 Å²	211	128.7 Å²	128.7	83%	0.827	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-81.6	-19.9	-178.5	-54.7	-76	0	0	0	113.8	E102	E102-Y104 PolarHBondContact O-N 2.82Å; E102-Y104 VanDerWaalsContact O-N 3.14Å
105	A	58.8	Low	55.9	Low	29 Å²	29	123.3 Å²	123.3	24%	0.24	60%	0.595	C	S	.	*	G	3₁₀ helix	trans	-106.9	26.2	-174.1	0	0	0	0	0	113.1	E102 I111	E102-A105 PolarHBondContact O-N 3.13Å; E102-A105 VanDerWaalsContact O-N 3.16Å; A105-I111 HydrophobicContact CB-CD1 4.07Å; A105-I111 HydrophobicContact CB-CG2 4.48Å
106	K	61.3	Low	55.4	Low	143 Å²	143	123.8 Å²	123.8	62%	0.622	60%	0.602	S	S	*	*	S	Bend	trans	-83.5	-39.3	-177.3	-105.4	-176.1	174	-174.7	0	114
107	D	56.3	Low	55.5	Low	140 Å²	140	123.7 Å²	123.7	75%	0.749	62%	0.618	S	S	*	*	S	Bend	trans	-110.5	-14	-167.8	-48.9	-54.2	0	0	0	112.9	M109	D107-M109 PolarHBondContact O-N 3.31Å; D107-M109 VanDerWaalsContact O-N 3.11Å
108	D	57.3	Low	55.4	Low	104 Å²	104	123.4 Å²	123.4	56%	0.556	62%	0.621	S	S	*	*			trans	-79.1	91.1	179.2	-91.7	-18.1	0	0	0	112.7	N110 I111	D108-N110 PolarHBondContact O-N 3.34Å; D108-I111 HydrophobicContact CB-CD1 3.66Å; D108-I111 HydrophobicContact CB-CG1 3.9Å; D108-I111 PolarHBondContact O-N 2.88Å
109	M	55.8	Low	56	Low	168 Å²	168	122.3 Å²	122.3	83%	0.828	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-11.5	177.9	-65.2	-67.9	-84.7	0	0	115	D107	D107-M109 PolarHBondContact O-N 3.31Å; D107-M109 VanDerWaalsContact O-N 3.11Å
110	N	57.3	Low	56.2	Low	154 Å²	154	125.7 Å²	125.7	82%	0.824	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-18	175.7	-77.9	10	0	0	0	113.8	D108 R112	D108-N110 PolarHBondContact O-N 3.34Å; N110-R112 PolarHBondContact O-N 2.86Å
111	I	56.6	Low	57	Low	93 Å²	93	123 Å²	123	48%	0.477	60%	0.597	S	S	.	*			trans	-78.9	115.7	-177.3	-64.4	176	0	0	0	110	A105 D108 D113	A105-I111 HydrophobicContact CB-CD1 4.07Å; A105-I111 HydrophobicContact CB-CG2 4.48Å; D108-I111 HydrophobicContact CB-CD1 3.66Å; D108-I111 HydrophobicContact CB-CG1 3.9Å; D108-I111 PolarHBondContact O-N 2.88Å; I111-D113 PolarHBondContact O-N 2.82Å
112	R	55.6	Low	57.5	Low	230 Å²	230	124.8 Å²	124.8	87%	0.868	62%	0.615	S	S	*	*			trans	-88.5	99.4	178	-66.3	-170.7	-172.4	164.2	6.1	111.3	N110 Q114	N110-R112 PolarHBondContact O-N 2.86Å; R112-Q114 PolarHBondContact O-N 2.9Å
113	D	51.3	Low	58.2	Low	54 Å²	54	120.9 Å²	120.9	29%	0.289	60%	0.601	S	S	.	*			trans	-49.6	122.7	177.2	-153.8	-1	0	0	0	112.9	R101 I111 P115	R101-D113 IonicContact CZ-OD2 3.64Å; R101-D113 VanDerWaalsContact CZ-OD2 3.24Å; R101-D113 IonicContact NE-OD2 3.48Å; R101-D113 PolarHBondContact NE-OD2 2.96Å; R101-D113 IonicContact NH2-OD2 2.88Å; R101-D113 PolarHBondContact NH2-OD2 2.66Å; I111-D113 PolarHBondContact O-N 2.82Å; D113-P115 VanDerWaalsContact C-CD 3.45Å; D113-P115 WeakPolarHBondContact OD1-CD 3.26Å
114	Q	57.6	Low	59	Low	112 Å²	112	118.3 Å²	118.3	52%	0.523	59%	0.586	S	S	.	*			trans	-125.1	62.8	172.6	-71.3	-165.3	35.4	0	0	111.3	R112 F116	R112-Q114 PolarHBondContact O-N 2.9Å; Q114-F116 PolarHBondContact O-N 2.92Å
115	P	55.5	Low	60.1	Low	61 Å²	61	108.3 Å²	108.3	40%	0.396	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.1	-167.8	27.3	-35	0	0	0	114.9	D113	D113-P115 VanDerWaalsContact C-CD 3.45Å; D113-P115 WeakPolarHBondContact OD1-CD 3.26Å
116	F	48.8	Very low	61	Low	168 Å²	168	113.6 Å²	113.6	74%	0.737	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	25.5	-178.1	-60.9	-70.5	0	0	0	113.8	Q114 I118	Q114-F116 PolarHBondContact O-N 2.92Å; F116-I118 PolarHBondContact O-N 2.8Å
117	G	54.7	Low	61.5	Low	62 Å²	62	109.7 Å²	109.7	64%	0.639	55%	0.553	S	S	*	*	S	Bend	trans	67.7	-11.9	177.8	0	0	0	0	0	116.7	Q119	G117-Q119 PolarHBondContact O-N 3.23Å
118	I	52.6	Low	62.4	Low	122 Å²	122	104.3 Å²	104.3	63%	0.626	53%	0.526	S	S	*	.			trans	-77.2	115.5	172.4	-59.5	174	0	0	0	108.8	F116 V120	F116-I118 PolarHBondContact O-N 2.8Å; I118-V120 PolarHBondContact O-N 2.92Å; I118-V120 VanDerWaalsContact O-N 3.1Å
119	Q	59.3	Low	63	Low	103 Å²	103	104.4 Å²	104.4	48%	0.481	52%	0.523	S	S	.	.			trans	-67.7	106.8	179.4	-175.3	179.5	71.5	0	0	110.7	G117 R121	G117-Q119 PolarHBondContact O-N 3.23Å; Q119-R121 HydrophobicContact CG-CG 4.28Å; Q119-R121 WeakPolarHBondContact O-CG 3.46Å; Q119-R121 PolarHBondContact O-N 3.24Å
120	V	57.5	Low	63.7	Low	103 Å²	103	102.2 Å²	102.2	62%	0.624	51%	0.509	S	S	*	.			trans	-70.4	95.9	178.6	-176.6	0	0	0	0	110.4	I118	I118-V120 PolarHBondContact O-N 2.92Å; I118-V120 VanDerWaalsContact O-N 3.1Å
121	R	67.7	Low	64.3	Low	79 Å²	79	102 Å²	102	30%	0.298	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.6	175.8	-45.8	-174.2	-176	97.3	-0.7	110.1	Q119 V123 G132 E139	Q119-R121 HydrophobicContact CG-CG 4.28Å; Q119-R121 WeakPolarHBondContact O-CG 3.46Å; Q119-R121 PolarHBondContact O-N 3.24Å; R121-V123 PolarHBondContact O-N 2.65Å; R121-G132 WeakPolarHBondContact CB-O 3.47Å; R121-G132 WeakPolarHBondContact CG-O 3.46Å; R121-G132 WeakPolarHBondContact O-CA 3.42Å; R121-G132 PolarHBondContact O-N 3.3Å; R121-E139 IonicContact CZ-OE1 3.4Å; R121-E139 IonicContact NH1-OE1 2.7Å; R121-E139 PolarHBondContact NH1-OE1 2.67Å; R121-E139 IonicContact NH1-OE2 3.64Å; R121-E139 PolarHBondContact NH1-OE2 2.98Å; R121-E139 IonicContact NH2-OE1 3.96Å; R121-E139 PolarHBondContact NH2-OE1 3.39Å
122	N	68.8	Low	65.3	Low	146 Å²	146	98 Å²	98	78%	0.781	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	35.1	-178.5	-71.6	6.6	0	0	0	113.7
123	V	74.4	Confident	66.5	Low	69 Å²	69	87.7 Å²	87.7	42%	0.418	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.3	177.9	-171.4	0	0	0	0	109.2	R121 W131 G132 V134	R121-V123 PolarHBondContact O-N 2.65Å; V123-W131 WeakPolarHBondContact O-CA 3.28Å; V123-G132 PolarHBondContact O-N 3.34Å; V123-V134 HydrophobicContact CB-CG2 4.42Å; V123-V134 HydrophobicContact CG1-CG2 4.08Å
124	R	75.8	Confident	67.7	Low	133 Å²	133	87.9 Å²	87.9	50%	0.502	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	176.4	-165.4	-176.5	-171.1	-164.6	0.2	109.4	H129 K130 W131	R124-H129 VanDerWaalsContact CZ-O 3.31Å; R124-H129 PolarHBondContact NE-O 3.24Å; R124-H129 PolarHBondContact NH2-O 3.32Å; R124-K130 CarbonylContact C-O 3.59Å; R124-K130 WeakPolarHBondContact CA-O 3.45Å; R124-K130 WeakPolarHBondContact CG-O 3.48Å; R124-W131 HydrophobicContact CB-CD2 3.87Å; R124-W131 HydrophobicContact CB-CE3 4.01Å; R124-W131 HydrophobicContact CB-CG 4.34Å; R124-W131 HydrophobicContact CB-CH2 4.47Å; R124-W131 HydrophobicContact CB-CZ2 4.35Å; R124-W131 HydrophobicContact CB-CZ3 4.31Å; R124-W131 HydrophobicContact CG-CD2 4.1Å; R124-W131 HydrophobicContact CG-CG 4.17Å
125	C	79.2	Confident	68.4	Low	1 Å²	1	85.2 Å²	85.2	1%	0.007	43%	0.433	C	S	.	.			trans	-64.2	138.9	179.9	179.5	0	0	0	0	111.6	C128 H129 K130 H133 C140	C125-C128 VanDerWaalsContact CB-SG 3.6Å; C125-H129 WeakPolarHBondContact O-CA 3.45Å; C125-H129 PolarHBondContact O-N 3.28Å; C125-H129 VanDerWaalsContact O-N 3.13Å; C125-H129 PolarHBondContact O-ND1 2.86Å; C125-H129 VanDerWaalsContact O-ND1 3.16Å; C125-K130 PolarHBondContact N-O 3.26Å; C125-H133 WeakPolarHBondContact CB-NE2 3.43Å; C125-H133 WeakPolarHBondContact CB-O 3.42Å; C125-H133 PolarHBondContact N-O 2.99Å; C125-C140 PolarHBondContact SG-SG 3.06Å
126	I	77	Confident	68.9	Low	141 Å²	141	87 Å²	87	72%	0.723	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.6	-176.8	-60.2	169.5	0	0	0	112	H129	I126-H129 PolarHBondContact O-CE1 2.91Å; I126-H129 PolarHBondContact O-ND1 2.99Å
127	K	71.8	Confident	70.1	Confident	60 Å²	60	80.7 Å²	80.7	26%	0.261	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-60.7	174.2	-80	-176.7	-167.6	177.3	0	113.3	N135 L142 L145 S146	K127-N135 WeakPolarHBondContact CD-OD1 3.35Å; K127-N135 WeakPolarHBondContact CE-OD1 3.2Å; K127-N135 WeakPolarHBondContact CG-OD1 3.27Å; K127-L142 HydrophobicContact CB-CB 4.12Å; K127-L142 HydrophobicContact CB-CD1 4.03Å; K127-L142 HydrophobicContact CD-CB 3.84Å; K127-L142 WeakPolarHBondContact CD-O 3.32Å; K127-L142 PolarHBondContact NZ-O 2.84Å; K127-L145 WeakPolarHBondContact CE-O 3.34Å; K127-L145 VanDerWaalsContact NZ-C 3.33Å; K127-L145 PolarHBondContact NZ-O 3.07Å; K127-S146 VanDerWaalsContact CE-OG 3.23Å; K127-S146 WeakPolarHBondContact CE-OG 3.32Å; K127-S146 PolarHBondContact NZ-OG 3.05Å
128	C	76.2	Confident	70.8	Confident	27 Å²	27	88.7 Å²	88.7	18%	0.182	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.6	-169.8	74.7	0	0	0	0	113.8	C125 K130 H133 L142	C125-C128 VanDerWaalsContact CB-SG 3.6Å; C128-K130 PolarHBondContact O-N 2.75Å; C128-H133 PolarHBondContact SG-NE2 2.9Å; C128-L142 HydrophobicContact CB-CD1 3.92Å; C128-L142 HydrophobicContact CB-CG 4.28Å
129	H	69.8	Low	71.7	Confident	107 Å²	107	87.5 Å²	87.5	50%	0.495	42%	0.419	S	S	.	.			trans	54.6	19.5	179.3	-65.5	-30.7	0	0	0	116.2	R124 C125 I126	R124-H129 VanDerWaalsContact CZ-O 3.31Å; R124-H129 PolarHBondContact NE-O 3.24Å; R124-H129 PolarHBondContact NH2-O 3.32Å; C125-H129 WeakPolarHBondContact O-CA 3.45Å; C125-H129 PolarHBondContact O-N 3.28Å; C125-H129 VanDerWaalsContact O-N 3.13Å; C125-H129 PolarHBondContact O-ND1 2.86Å; C125-H129 VanDerWaalsContact O-ND1 3.16Å; I126-H129 PolarHBondContact O-CE1 2.91Å; I126-H129 PolarHBondContact O-ND1 2.99Å
130	K	70.2	Confident	72.4	Confident	122 Å²	122	82.9 Å²	82.9	53%	0.53	40%	0.398	S	S	.	.			trans	-81.8	153	167	-59.5	-176.4	-179.3	-176.1	0	110.3	R124 C125 C128	R124-K130 CarbonylContact C-O 3.59Å; R124-K130 WeakPolarHBondContact CA-O 3.45Å; R124-K130 WeakPolarHBondContact CG-O 3.48Å; C125-K130 PolarHBondContact N-O 3.26Å; C128-K130 PolarHBondContact O-N 2.75Å
131	W	70.9	Confident	73.3	Confident	148 Å²	148	81.8 Å²	81.8	56%	0.561	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	154.1	172.1	-69.2	85.8	0	0	0	110.1	V123 R124	V123-W131 WeakPolarHBondContact O-CA 3.28Å; R124-W131 HydrophobicContact CB-CD2 3.87Å; R124-W131 HydrophobicContact CB-CE3 4.01Å; R124-W131 HydrophobicContact CB-CG 4.34Å; R124-W131 HydrophobicContact CB-CH2 4.47Å; R124-W131 HydrophobicContact CB-CZ2 4.35Å; R124-W131 HydrophobicContact CB-CZ3 4.31Å; R124-W131 HydrophobicContact CG-CD2 4.1Å; R124-W131 HydrophobicContact CG-CG 4.17Å
132	G	77.1	Confident	73.4	Confident	11 Å²	11	80.9 Å²	80.9	11%	0.113	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.5	-24.6	175.2	0	0	0	0	0	114.9	R121 V123	R121-G132 WeakPolarHBondContact CB-O 3.47Å; R121-G132 WeakPolarHBondContact CG-O 3.46Å; R121-G132 WeakPolarHBondContact O-CA 3.42Å; R121-G132 PolarHBondContact O-N 3.3Å; V123-G132 PolarHBondContact O-N 3.34Å
133	H	79.8	Confident	73.5	Confident	13 Å²	13	78.5 Å²	78.5	6%	0.06	38%	0.377	C	S	.	.			trans	-142.2	162	-177.1	64	-107.6	0	0	0	113.2	C125 C128 D137 E139 C140	C125-H133 WeakPolarHBondContact CB-NE2 3.43Å; C125-H133 WeakPolarHBondContact CB-O 3.42Å; C125-H133 PolarHBondContact N-O 2.99Å; C128-H133 PolarHBondContact SG-NE2 2.9Å; H133-D137 HydrophobicContact CB-CB 4.11Å; H133-E139 HydrophobicContact CB-CB 3.92Å; H133-E139 PolarHBondContact ND1-O 3.31Å; H133-C140 WeakPolarHBondContact NE2-CA 3.46Å; H133-C140 WeakPolarHBondContact NE2-CB 3.23Å; H133-C140 PolarHBondContact NE2-SG 3.2Å; H133-C140 VanDerWaalsContact NE2-SG 3.38Å
134	V	77.8	Confident	73.1	Confident	58 Å²	58	78.3 Å²	78.3	35%	0.352	39%	0.389	S	S	.	.			trans	-95.3	162.8	175.2	-164.7	0	0	0	0	110.1	V123 T136 D137	V123-V134 HydrophobicContact CB-CG2 4.42Å; V123-V134 HydrophobicContact CG1-CG2 4.08Å; V134-T136 PolarHBondContact O-N 2.97Å; V134-T136 VanDerWaalsContact O-N 3.12Å; V134-D137 WeakPolarHBondContact CB-OD2 3.44Å; V134-D137 PolarHBondContact N-OD2 2.85Å; V134-D137 PolarHBondContact O-N 2.83Å; V134-D137 VanDerWaalsContact O-N 3.15Å
135	N	70.7	Confident	72.7	Confident	56 Å²	56	76.8 Å²	76.8	30%	0.299	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.1	177.2	-177.7	51	0	0	0	114.5	K127	K127-N135 WeakPolarHBondContact CD-OD1 3.35Å; K127-N135 WeakPolarHBondContact CE-OD1 3.2Å; K127-N135 WeakPolarHBondContact CG-OD1 3.27Å
136	T	66.6	Low	71.5	Confident	99 Å²	99	81.3 Å²	81.3	61%	0.607	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.2	-179	43.5	0	0	0	0	113.9	V134 F143	V134-T136 PolarHBondContact O-N 2.97Å; V134-T136 VanDerWaalsContact O-N 3.12Å; T136-F143 WeakPolarHBondContact O-CE2 3.4Å
137	D	74.1	Confident	70.4	Confident	35 Å²	35	78.3 Å²	78.3	19%	0.187	43%	0.426	C	S	.	.	S	Bend	trans	-98	139.5	-168.2	-54.5	-5.7	0	0	0	109.6	H133 V134 E139 C140 F143	H133-D137 HydrophobicContact CB-CB 4.11Å; V134-D137 WeakPolarHBondContact CB-OD2 3.44Å; V134-D137 PolarHBondContact N-OD2 2.85Å; V134-D137 PolarHBondContact O-N 2.83Å; V134-D137 VanDerWaalsContact O-N 3.15Å; D137-E139 HydrophobicContact CB-CB 4.44Å; D137-E139 PolarHBondContact O-N 3.1Å; D137-E139 VanDerWaalsContact O-N 3.08Å; D137-C140 VanDerWaalsContact O-CB 3.29Å; D137-C140 WeakPolarHBondContact O-CB 3.35Å; D137-C140 PolarHBondContact O-N 2.73Å; D137-F143 WeakPolarHBondContact O-CD2 3.28Å
138	R	69.5	Low	69.4	Low	230 Å²	230	82.8 Å²	82.8	87%	0.868	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.4	177.7	-58.7	-174.8	-174.8	-154.2	1.7	113	C140 F143	R138-C140 PolarHBondContact O-N 2.86Å; R138-F143 HydrophobicContact CG-CD1 4.23Å; R138-F143 HydrophobicContact CG-CE1 3.87Å; R138-F143 HydrophobicContact CG-CZ 4.16Å
139	E	70.8	Confident	68.3	Low	96 Å²	96	87 Å²	87	45%	0.449	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.9	171.4	-60.1	171.2	-155.3	0	0	113.1	R121 H133 D137 P141	R121-E139 IonicContact CZ-OE1 3.4Å; R121-E139 IonicContact NH1-OE1 2.7Å; R121-E139 PolarHBondContact NH1-OE1 2.67Å; R121-E139 IonicContact NH1-OE2 3.64Å; R121-E139 PolarHBondContact NH1-OE2 2.98Å; R121-E139 IonicContact NH2-OE1 3.96Å; R121-E139 PolarHBondContact NH2-OE1 3.39Å; H133-E139 HydrophobicContact CB-CB 3.92Å; H133-E139 PolarHBondContact ND1-O 3.31Å; D137-E139 HydrophobicContact CB-CB 4.44Å; D137-E139 PolarHBondContact O-N 3.1Å; D137-E139 VanDerWaalsContact O-N 3.08Å; E139-P141 WeakPolarHBondContact O-CD 3.36Å
140	C	74.8	Confident	67.4	Low	6 Å²	6	85.6 Å²	85.6	4%	0.041	48%	0.478	C	S	.	.			trans	-82.6	124.9	178.6	-167.9	0	0	0	0	112	C125 H133 D137 R138 L142 F143	C125-C140 PolarHBondContact SG-SG 3.06Å; H133-C140 WeakPolarHBondContact NE2-CA 3.46Å; H133-C140 WeakPolarHBondContact NE2-CB 3.23Å; H133-C140 PolarHBondContact NE2-SG 3.2Å; H133-C140 VanDerWaalsContact NE2-SG 3.38Å; D137-C140 VanDerWaalsContact O-CB 3.29Å; D137-C140 WeakPolarHBondContact O-CB 3.35Å; D137-C140 PolarHBondContact O-N 2.73Å; R138-C140 PolarHBondContact O-N 2.86Å; C140-L142 PolarHBondContact O-N 3.18Å; C140-F143 HydrophobicContact CB-CB 4.14Å; C140-F143 WeakPolarHBondContact O-CB 3.48Å; C140-F143 PolarHBondContact O-N 3.45Å
141	P	77.4	Confident	66.5	Low	81 Å²	81	85.1 Å²	85.1	53%	0.526	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.6	174.3	-23.8	34.9	0	0	0	115	E139	E139-P141 WeakPolarHBondContact O-CD 3.36Å
142	L	68.4	Low	65.3	Low	60 Å²	60	82.3 Å²	82.3	31%	0.314	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	22.6	175.4	-57.7	176.4	0	0	0	111.4	K127 C128 C140 L145	K127-L142 HydrophobicContact CB-CB 4.12Å; K127-L142 HydrophobicContact CB-CD1 4.03Å; K127-L142 HydrophobicContact CD-CB 3.84Å; K127-L142 WeakPolarHBondContact CD-O 3.32Å; K127-L142 PolarHBondContact NZ-O 2.84Å; C128-L142 HydrophobicContact CB-CD1 3.92Å; C128-L142 HydrophobicContact CB-CG 4.28Å; C140-L142 PolarHBondContact O-N 3.18Å; L142-L145 HydrophobicContact CD2-CD1 4.24Å
143	F	70.4	Confident	63.9	Low	95 Å²	95	87.5 Å²	87.5	42%	0.417	52%	0.523	S	S	.	.	S	Bend	trans	-63.3	144.4	167.9	-173	-108.8	0	0	0	110	T136 D137 R138 C140 L145	T136-F143 WeakPolarHBondContact O-CE2 3.4Å; D137-F143 WeakPolarHBondContact O-CD2 3.28Å; R138-F143 HydrophobicContact CG-CD1 4.23Å; R138-F143 HydrophobicContact CG-CE1 3.87Å; R138-F143 HydrophobicContact CG-CZ 4.16Å; C140-F143 HydrophobicContact CB-CB 4.14Å; C140-F143 WeakPolarHBondContact O-CB 3.48Å; C140-F143 PolarHBondContact O-N 3.45Å; F143-L145 PolarHBondContact O-N 3.49Å
144	G	67.3	Low	62	Low	66 Å²	66	91 Å²	91	68%	0.68	55%	0.554	S	S	*	*	S	Bend	trans	70.5	-41.3	-172.4	0	0	0	0	0	115.1	S146	G144-S146 PolarHBondContact O-N 3.35Å
145	L	66.4	Low	60.3	Low	101 Å²	101	94.5 Å²	94.5	53%	0.529	58%	0.575	S	S	.	*			trans	-71.8	88.8	-177.7	-65.2	175.4	0	0	0	112.4	K127 L142 F143	K127-L145 WeakPolarHBondContact CE-O 3.34Å; K127-L145 VanDerWaalsContact NZ-C 3.33Å; K127-L145 PolarHBondContact NZ-O 3.07Å; L142-L145 HydrophobicContact CD2-CD1 4.24Å; F143-L145 PolarHBondContact O-N 3.49Å
146	S	55.4	Low	59.2	Low	96 Å²	96	100.1 Å²	100.1	67%	0.671	61%	0.606	S	S	*	*			trans	-130.7	136.7	171.2	-77.6	0	0	0	0	109.7	K127 G144	K127-S146 VanDerWaalsContact CE-OG 3.23Å; K127-S146 WeakPolarHBondContact CE-OG 3.32Å; K127-S146 PolarHBondContact NZ-OG 3.05Å; G144-S146 PolarHBondContact O-N 3.35Å
147	G	52.2	Low	58.5	Low	77 Å²	77	104 Å²	104	79%	0.794	62%	0.617	S	S	*	*	S	Bend	trans	132.2	-104.1	175.5	0	0	0	0	0	112.1
148	I	52.3	Low	57.2	Low	154 Å²	154	108.6 Å²	108.6	79%	0.79	65%	0.646	S	S	*	*	S	Bend	trans	-127.5	-30.9	-159	-39.6	179.4	0	0	0	112.7	A150	I148-A150 PolarHBondContact O-N 3.23Å
149	N	52.7	Low	56	Low	115 Å²	115	102.5 Å²	102.5	62%	0.615	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-94.8	15.2	-165.4	-58.8	9.1	0	0	0	114.7	S151 S152	N149-S151 VanDerWaalsContact C-N 3.26Å; N149-S151 PolarHBondContact O-N 2.94Å; N149-S152 PolarHBondContact O-OG 3.27Å
150	A	51	Low	55.2	Low	78 Å²	78	100.7 Å²	100.7	65%	0.645	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-75.5	-12.2	-178.6	0	0	0	0	0	113.9	I148	I148-A150 PolarHBondContact O-N 3.23Å
151	S	50	Low	54.1	Low	112 Å²	112	105.5 Å²	105.5	78%	0.783	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-101.7	-11.8	-176.9	-50.3	0	0	0	0	114.1	N149	N149-S151 VanDerWaalsContact C-N 3.26Å; N149-S151 PolarHBondContact O-N 2.94Å
152	S	47.3	Very low	53.2	Low	89 Å²	89	104.3 Å²	104.3	62%	0.622	68%	0.677	S	S	*	*	S	Bend	trans	-106.3	1.9	-167.3	56.9	0	0	0	0	114.8	N149	N149-S152 PolarHBondContact O-OG 3.27Å
153	V	47.2	Very low	52.7	Low	120 Å²	120	110 Å²	110	73%	0.727	71%	0.705	S	S	*	*			trans	-135	37.7	174.7	-71.5	0	0	0	0	111.4
154	A	40.1	Very low	52.6	Low	86 Å²	86	110.2 Å²	110.2	71%	0.711	71%	0.707	S	S	*	*	S	Bend	trans	-71.6	123.2	151.7	0	0	0	0	0	107.1
155	T	42.4	Very low	52.7	Low	132 Å²	132	111 Å²	111	81%	0.81	70%	0.699	S	S	*	*			trans	-66.3	141	-175	43.8	0	0	0	0	112.1	E157	T155-E157 PolarHBondContact O-N 3.42Å
156	D	46.8	Very low	53.1	Low	174 Å²	174	109.3 Å²	109.3	93%	0.93	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	60.6	-169.5	-154.1	-13.1	0	0	0	113.3
157	E	50.9	Low	54	Low	180 Å²	180	109.7 Å²	109.7	84%	0.841	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	14.2	173.7	-140.8	-170.6	169.1	0	0	115	T155	T155-E157 PolarHBondContact O-N 3.42Å
158	T	47.1	Very low	55	Low	132 Å²	132	110.6 Å²	110.6	81%	0.81	67%	0.674	S	S	*	*			trans	-150.7	95	164.9	-52.7	0	0	0	0	110.2	G160	T158-G160 PolarHBondContact O-N 3.25Å
159	A	44.8	Very low	56.1	Low	102 Å²	102	108 Å²	108	84%	0.843	66%	0.659	S	S	*	*			trans	-59.3	106.6	172.1	0	0	0	0	0	110.5
160	G	54.3	Low	57.3	Low	59 Å²	59	104.4 Å²	104.4	61%	0.608	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-60.3	142.4	169.8	0	0	0	0	0	110	T158 S162	T158-G160 PolarHBondContact O-N 3.25Å; G160-S162 PolarHBondContact O-N 3.28Å; G160-S162 VanDerWaalsContact O-N 3.1Å
161	P	51.8	Low	58.5	Low	106 Å²	106	106 Å²	106	69%	0.688	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-57	119.5	-168.6	21	-33	0	0	0	111.7	M163	P161-M163 PolarHBondContact O-N 3.05Å
162	S	57.7	Low	59.8	Low	56 Å²	56	103.4 Å²	103.4	39%	0.392	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-57.7	127.3	175.4	173.1	0	0	0	0	109.8	G160 H164 E167	G160-S162 PolarHBondContact O-N 3.28Å; G160-S162 VanDerWaalsContact O-N 3.1Å; S162-H164 PolarHBondContact O-N 3.12Å; S162-H164 WeakPolarHBondContact OG-CB 3.3Å; S162-H164 PolarHBondContact OG-N 3.01Å; S162-E167 VanDerWaalsContact CB-CD 3.47Å; S162-E167 WeakPolarHBondContact CB-OE1 3.43Å; S162-E167 WeakPolarHBondContact CB-OE2 3.45Å; S162-E167 PolarHBondContact OG-OE2 3.14Å
163	M	59.5	Low	61.3	Low	181 Å²	181	106 Å²	106	89%	0.892	61%	0.612	S	S	*	*			trans	-73.1	10.3	178	-75	-60.7	-47.9	0	0	113.4	P161	P161-M163 PolarHBondContact O-N 3.05Å
164	H	67.9	Low	62.8	Low	99 Å²	99	107.1 Å²	107.1	46%	0.458	61%	0.614	S	S	.	*			trans	-80.5	126	-179.8	-167.5	-114.8	0	0	0	111.5	S162 S166 E167 L168	S162-H164 PolarHBondContact O-N 3.12Å; S162-H164 WeakPolarHBondContact OG-CB 3.3Å; S162-H164 PolarHBondContact OG-N 3.01Å; H164-S166 PolarHBondContact CE1-OG 3.37Å; H164-S166 PolarHBondContact O-N 2.8Å; H164-S166 VanDerWaalsContact O-N 3.11Å; H164-E167 PolarHBondContact O-N 3.14Å; H164-L168 PolarHBondContact O-N 2.91Å
165	P	68.6	Low	64.6	Low	81 Å²	81	105.9 Å²	105.9	53%	0.526	60%	0.6	S	S	.	*	H	α-helix	trans	-63	-25.8	-170.7	23.7	-34.8	0	0	0	114	M169	P165-M169 WeakPolarHBondContact O-CB 2.9Å; P165-M169 WeakPolarHBondContact O-CE 3.45Å; P165-M169 WeakPolarHBondContact O-CG 3.09Å; P165-M169 PolarHBondContact O-N 3.33Å; P165-M169 VanDerWaalsContact O-N 3.1Å
166	S	74.2	Confident	66	Low	67 Å²	67	102.6 Å²	102.6	47%	0.469	59%	0.593	S	S	.	*	H	α-helix	trans	-69.2	-35.1	176.2	-54.1	0	0	0	0	112.9	H164 M169 A170	H164-S166 PolarHBondContact CE1-OG 3.37Å; H164-S166 PolarHBondContact O-N 2.8Å; H164-S166 VanDerWaalsContact O-N 3.11Å; S166-M169 PolarHBondContact O-N 3.03Å; S166-A170 PolarHBondContact O-N 3.22Å
167	E	74.7	Confident	67.1	Low	103 Å²	103	98.5 Å²	98.5	48%	0.481	57%	0.567	S	S	.	*	H	α-helix	trans	-75.1	-42	177.7	-76.3	173.1	91.2	0	0	111	S162 H164 M169 A170 E171	S162-E167 VanDerWaalsContact CB-CD 3.47Å; S162-E167 WeakPolarHBondContact CB-OE1 3.43Å; S162-E167 WeakPolarHBondContact CB-OE2 3.45Å; S162-E167 PolarHBondContact OG-OE2 3.14Å; H164-E167 PolarHBondContact O-N 3.14Å; E167-M169 PolarHBondContact O-N 2.97Å; E167-A170 CarbonylContact O-C 3.59Å; E167-A170 WeakPolarHBondContact O-CA 3.37Å; E167-A170 WeakPolarHBondContact O-CB 3.49Å; E167-A170 PolarHBondContact O-N 2.84Å; E167-E171 PolarHBondContact O-N 3.29Å
168	L	73.8	Confident	68.2	Low	96 Å²	96	92.4 Å²	92.4	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-56.5	-38.8	171.2	-174.8	66.7	0	0	0	111.7	H164 A170 M172	H164-L168 PolarHBondContact O-N 2.91Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-M172 WeakPolarHBondContact O-CB 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.44Å; L168-M172 PolarHBondContact O-N 3.49Å
169	M	74.9	Confident	69.3	Low	100 Å²	100	90.7 Å²	90.7	49%	0.493	53%	0.533	S	S	.	.	H	α-helix	trans	-73	-19.8	173.4	-75.9	-168.6	-75.9	0	0	114.1	P165 S166 E167 R173	P165-M169 WeakPolarHBondContact O-CB 2.9Å; P165-M169 WeakPolarHBondContact O-CE 3.45Å; P165-M169 WeakPolarHBondContact O-CG 3.09Å; P165-M169 PolarHBondContact O-N 3.33Å; P165-M169 VanDerWaalsContact O-N 3.1Å; S166-M169 PolarHBondContact O-N 3.03Å; E167-M169 PolarHBondContact O-N 2.97Å; M169-R173 WeakPolarHBondContact O-CD 3.47Å; M169-R173 VanDerWaalsContact O-CG 3.31Å; M169-R173 WeakPolarHBondContact O-CG 3.41Å; M169-R173 PolarHBondContact O-NH1 2.88Å
170	A	77.6	Confident	70.3	Confident	40 Å²	40	93.8 Å²	93.8	33%	0.331	53%	0.527	S	S	.	.	H	α-helix	trans	-80.9	-46	170.1	0	0	0	0	0	110.7	S166 E167 L168 M172 R173 N174	S166-A170 PolarHBondContact O-N 3.22Å; E167-A170 CarbonylContact O-C 3.59Å; E167-A170 WeakPolarHBondContact O-CA 3.37Å; E167-A170 WeakPolarHBondContact O-CB 3.49Å; E167-A170 PolarHBondContact O-N 2.84Å; L168-A170 VanDerWaalsContact C-N 3.34Å; A170-M172 PolarHBondContact O-N 3.4Å; A170-R173 WeakPolarHBondContact O-CA 3.33Å; A170-R173 WeakPolarHBondContact O-CB 3.47Å; A170-R173 PolarHBondContact O-N 3.49Å; A170-N174 VanDerWaalsContact O-CG 3.28Å; A170-N174 PolarHBondContact O-N 3.23Å; A170-N174 PolarHBondContact O-OD1 2.9Å
171	E	76.8	Confident	70.7	Confident	110 Å²	110	98.9 Å²	98.9	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-59.1	-43	176.4	-170.3	-176.5	-169.1	0	0	111.8	E167 R173 N174 S175	E167-E171 PolarHBondContact O-N 3.29Å; E171-R173 PolarHBondContact O-N 3.27Å; E171-N174 PolarHBondContact O-N 2.87Å; E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.42Å; E171-S175 PolarHBondContact O-OG 3.26Å
172	M	77.4	Confident	71	Confident	59 Å²	59	97.7 Å²	97.7	29%	0.291	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-26.9	173	-80.2	-166.7	63.9	0	0	113.7	L168 A170 F177 A178	L168-M172 WeakPolarHBondContact O-CB 3.27Å; L168-M172 WeakPolarHBondContact O-CG 3.44Å; L168-M172 PolarHBondContact O-N 3.49Å; A170-M172 PolarHBondContact O-N 3.4Å; M172-F177 WeakPolarHBondContact CE-O 3.5Å; M172-F177 CarbonylContact O-C 3.55Å; M172-F177 PolarHBondContact O-N 3.49Å; M172-A178 WeakPolarHBondContact O-CA 3.39Å; M172-A178 PolarHBondContact O-N 3.46Å
173	R	78.3	Confident	71.2	Confident	144 Å²	144	99.3 Å²	99.3	54%	0.543	53%	0.533	S	S	.	.	H	α-helix	trans	-78.4	-46.3	173.5	-69.5	172.3	-178	114.4	-10.7	110.9	M169 A170 E171 G176 A178	M169-R173 WeakPolarHBondContact O-CD 3.47Å; M169-R173 VanDerWaalsContact O-CG 3.31Å; M169-R173 WeakPolarHBondContact O-CG 3.41Å; M169-R173 PolarHBondContact O-NH1 2.88Å; A170-R173 WeakPolarHBondContact O-CA 3.33Å; A170-R173 WeakPolarHBondContact O-CB 3.47Å; A170-R173 PolarHBondContact O-N 3.49Å; E171-R173 PolarHBondContact O-N 3.27Å; R173-G176 PolarHBondContact O-N 2.79Å; R173-A178 HydrophobicContact CG-CB 4.5Å
174	N	79.6	Confident	71.3	Confident	142 Å²	142	93.9 Å²	93.9	76%	0.759	51%	0.507	S	S	*	.	H	α-helix	trans	-67.6	-36.6	-176.9	-63.6	-6.7	0	0	0	112.7	A170 E171 G176	A170-N174 VanDerWaalsContact O-CG 3.28Å; A170-N174 PolarHBondContact O-N 3.23Å; A170-N174 PolarHBondContact O-OD1 2.9Å; E171-N174 PolarHBondContact O-N 2.87Å; N174-G176 PolarHBondContact O-N 3.45Å
175	S	77.1	Confident	70.4	Confident	61 Å²	61	93.2 Å²	93.2	43%	0.427	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.9	177.3	58.3	0	0	0	0	114.5	E171 F177	E171-S175 VanDerWaalsContact O-CB 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.42Å; E171-S175 PolarHBondContact O-OG 3.26Å; S175-F177 WeakPolarHBondContact O-CD2 3.34Å; S175-F177 PolarHBondContact O-N 2.81Å
176	G	71.8	Confident	69.8	Low	63 Å²	63	97 Å²	97	65%	0.649	51%	0.511	S	S	*	.	S	Bend	trans	76.4	1.3	-178.6	0	0	0	0	0	115	R173 N174 A178	R173-G176 PolarHBondContact O-N 2.79Å; N174-G176 PolarHBondContact O-N 3.45Å; G176-A178 PolarHBondContact O-N 3.38Å
177	F	70.5	Confident	68.7	Low	87 Å²	87	98.7 Å²	98.7	38%	0.382	52%	0.523	S	S	.	.			trans	-86.9	24.9	174.4	-68.2	-75.9	0	0	0	113.4	M172 S175 L179 D423	M172-F177 WeakPolarHBondContact CE-O 3.5Å; M172-F177 CarbonylContact O-C 3.55Å; M172-F177 PolarHBondContact O-N 3.49Å; S175-F177 WeakPolarHBondContact O-CD2 3.34Å; S175-F177 PolarHBondContact O-N 2.81Å; F177-L179 PolarHBondContact O-N 2.73Å; F177-D423 HydrophobicContact CE1-CB 4.44Å; F177-D423 HydrophobicContact CE2-CB 3.93Å; F177-D423 VanDerWaalsContact CE2-CG 3.42Å; F177-D423 WeakPolarHBondContact CE2-OD2 3.36Å; F177-D423 HydrophobicContact CZ-CB 3.56Å; F177-D423 WeakPolarHBondContact CZ-OD1 3.39Å
178	A	74.3	Confident	67.7	Low	53 Å²	53	98.7 Å²	98.7	44%	0.438	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-60.4	131	178.6	0	0	0	0	0	110.8	M172 R173 G176 K180	M172-A178 WeakPolarHBondContact O-CA 3.39Å; M172-A178 PolarHBondContact O-N 3.46Å; R173-A178 HydrophobicContact CG-CB 4.5Å; G176-A178 PolarHBondContact O-N 3.38Å; A178-K180 PolarHBondContact O-N 3.39Å
179	L	70.9	Confident	66.3	Low	96 Å²	96	97.7 Å²	97.7	50%	0.503	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.1	165.7	-70.7	170.3	0	0	0	108.4	F177 K181 L184	F177-L179 PolarHBondContact O-N 2.73Å; L179-K181 PolarHBondContact O-N 3.02Å; L179-L184 HydrophobicContact CB-CD1 4.03Å; L179-L184 HydrophobicContact CB-CD2 4.13Å; L179-L184 HydrophobicContact CB-CG 3.82Å; L179-L184 HydrophobicContact CD1-CD2 3.9Å; L179-L184 HydrophobicContact CD1-CG 4.5Å
180	K	66	Low	65.1	Low	166 Å²	166	100.3 Å²	100.3	72%	0.722	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-55.4	130.5	-179.4	-167.5	173.4	-175.7	178.4	0	108.9	A178 C182 V183	A178-K180 PolarHBondContact O-N 3.39Å; K180-C182 PolarHBondContact O-N 2.82Å; K180-V183 WeakPolarHBondContact O-CB 3.48Å; K180-V183 PolarHBondContact O-N 3.29Å
181	K	61.9	Low	63.8	Low	166 Å²	166	103.7 Å²	103.7	72%	0.722	57%	0.574	S	S	*	*	H	α-helix	trans	-42.1	-45.8	-168.6	-69.5	-170.1	175.6	-173.5	0	113.9	L179 V183 L184 D185	L179-K181 PolarHBondContact O-N 3.02Å; K181-V183 PolarHBondContact O-N 3.22Å; K181-L184 WeakPolarHBondContact O-CA 3.41Å; K181-L184 PolarHBondContact O-N 2.82Å; K181-D185 WeakPolarHBondContact CB-OD2 3.17Å; K181-D185 PolarHBondContact O-N 3.07Å
182	C	58.8	Low	62.2	Low	82 Å²	82	101.5 Å²	101.5	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-48.8	-18.5	174.5	-35.9	0	0	0	0	116.6	K180 R186	K180-C182 PolarHBondContact O-N 2.82Å; C182-R186 WeakPolarHBondContact O-CD 3.19Å; C182-R186 WeakPolarHBondContact O-CG 3.34Å
183	V	60.7	Low	61.2	Low	89 Å²	89	104.7 Å²	104.7	54%	0.539	59%	0.591	S	S	.	*	H	α-helix	trans	-99.4	-28.1	177.4	-176.8	0	0	0	0	111.7	K180 K181	K180-V183 WeakPolarHBondContact O-CB 3.48Å; K180-V183 PolarHBondContact O-N 3.29Å; K181-V183 PolarHBondContact O-N 3.22Å
184	L	60.9	Low	60	Low	67 Å²	67	102.1 Å²	102.1	35%	0.351	60%	0.6	S	S	.	*	H	α-helix	trans	-83.7	-42	175.7	-71.2	173.1	0	0	0	112.1	L179 K181 R186 S187	L179-L184 HydrophobicContact CB-CD1 4.03Å; L179-L184 HydrophobicContact CB-CD2 4.13Å; L179-L184 HydrophobicContact CB-CG 3.82Å; L179-L184 HydrophobicContact CD1-CD2 3.9Å; L179-L184 HydrophobicContact CD1-CG 4.5Å; K181-L184 WeakPolarHBondContact O-CA 3.41Å; K181-L184 PolarHBondContact O-N 2.82Å; L184-R186 PolarHBondContact O-N 3.05Å; L184-S187 PolarHBondContact O-N 2.96Å; L184-S187 PolarHBondContact O-OG 2.82Å
185	D	49.6	Very low	58.7	Low	86 Å²	86	98.9 Å²	98.9	46%	0.46	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-58.8	-36.2	-178.5	-61	-41.7	0	0	0	111.4	K181 S187 S188 T189	K181-D185 WeakPolarHBondContact CB-OD2 3.17Å; K181-D185 PolarHBondContact O-N 3.07Å; D185-S187 PolarHBondContact O-N 2.75Å; D185-S188 PolarHBondContact O-N 3.39Å; D185-T189 PolarHBondContact O-N 2.85Å; D185-T189 PolarHBondContact O-OG1 3.34Å
186	R	55.3	Low	57	Low	160 Å²	160	104.5 Å²	104.5	60%	0.604	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-62.3	2	172.8	-63.7	180	74.3	-146.3	2.3	115.2	C182 L184	C182-R186 WeakPolarHBondContact O-CD 3.19Å; C182-R186 WeakPolarHBondContact O-CG 3.34Å; L184-R186 PolarHBondContact O-N 3.05Å
187	S	53.1	Low	55.6	Low	102 Å²	102	110.6 Å²	110.6	71%	0.713	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-116.2	0.8	172.7	68.7	0	0	0	0	114.3	L184 D185	L184-S187 PolarHBondContact O-N 2.96Å; L184-S187 PolarHBondContact O-OG 2.82Å; D185-S187 PolarHBondContact O-N 2.75Å
188	S	53.5	Low	54.2	Low	104 Å²	104	113 Å²	113	73%	0.727	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-19.3	-177.5	-166.6	0	0	0	0	115.4	D185	D185-S188 PolarHBondContact O-N 3.39Å
189	T	44.2	Very low	52.6	Low	75 Å²	75	114.4 Å²	114.4	46%	0.46	64%	0.638	S	S	.	*			trans	-111.4	105.7	-178.8	53.2	0	0	0	0	111.8	D185 C191	D185-T189 PolarHBondContact O-N 2.85Å; D185-T189 PolarHBondContact O-OG1 3.34Å; T189-C191 PolarHBondContact O-N 2.81Å
190	V	50	Low	51.2	Low	154 Å²	154	113.8 Å²	113.8	93%	0.933	64%	0.641	S	S	*	*	S	Bend	trans	-72.8	-8.3	173	173.8	0	0	0	0	112.3
191	C	49.2	Very low	50.3	Low	112 Å²	112	111.8 Å²	111.8	76%	0.757	64%	0.639	S	S	*	*			trans	-125.6	101.6	169	-59.9	0	0	0	0	109.9	T189	T189-C191 PolarHBondContact O-N 2.81Å
192	D	43.2	Very low	49.9	Very low	64 Å²	64	109.8 Å²	109.8	34%	0.342	63%	0.632	S	S	.	*			trans	-119.8	102.3	164.5	174	7.7	0	0	0	107.5	A194 Q195	D192-A194 PolarHBondContact O-N 3.28Å; D192-A194 WeakPolarHBondContact OD1-CB 3.42Å; D192-A194 PolarHBondContact OD1-N 2.76Å; D192-Q195 HydrophobicContact CB-CB 4.49Å; D192-Q195 PolarHBondContact O-N 3.27Å; D192-Q195 PolarHBondContact OD2-NE2 3.3Å
193	P	56.4	Low	49.6	Very low	126 Å²	126	113 Å²	113	82%	0.818	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-14	-177.8	-25.1	35.4	0	0	0	114.8
194	A	53	Low	49.3	Very low	90 Å²	90	114.6 Å²	114.6	74%	0.744	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-4	174.6	0	0	0	0	0	113.5	D192	D192-A194 PolarHBondContact O-N 3.28Å; D192-A194 WeakPolarHBondContact OD1-CB 3.42Å; D192-A194 PolarHBondContact OD1-N 2.76Å
195	Q	51.3	Low	49.9	Very low	73 Å²	73	114.4 Å²	114.4	34%	0.341	64%	0.644	S	S	.	*			trans	-103.7	50.2	169.4	-78.7	176.3	97.1	0	0	110.9	D192 Y197	D192-Q195 HydrophobicContact CB-CB 4.49Å; D192-Q195 PolarHBondContact O-N 3.27Å; D192-Q195 PolarHBondContact OD2-NE2 3.3Å; Q195-Y197 PolarHBondContact O-N 3.09Å
196	E	42.8	Very low	51.2	Low	180 Å²	180	114.8 Å²	114.8	84%	0.841	65%	0.651	S	S	*	*			trans	-63.2	86	158.5	-171.4	176.7	-162.2	0	0	108.8	V198	E196-V198 PolarHBondContact O-N 3.35Å
197	Y	43	Very low	51.9	Low	191 Å²	191	114 Å²	114	75%	0.749	65%	0.654	S	S	*	*			trans	-55.7	129.1	152.2	-88.3	-100.4	0	0	0	107	Q195 A199	Q195-Y197 PolarHBondContact O-N 3.09Å; Y197-A199 PolarHBondContact O-N 2.86Å
198	V	40	Very low	52.9	Low	137 Å²	137	111.2 Å²	111.2	83%	0.83	63%	0.633	S	S	*	*			trans	-57.4	107.2	162.2	177.5	0	0	0	0	106.4	E196 S200	E196-V198 PolarHBondContact O-N 3.35Å; V198-S200 PolarHBondContact O-N 3.25Å; V198-S200 VanDerWaalsContact O-N 3.16Å
199	A	40.5	Very low	54.2	Low	83 Å²	83	111.8 Å²	111.8	69%	0.686	62%	0.624	S	S	*	*			trans	-60.1	118	167	0	0	0	0	0	106.8	Y197 D201	Y197-A199 PolarHBondContact O-N 2.86Å; A199-D201 PolarHBondContact O-N 2.93Å
200	S	41.3	Very low	56	Low	82 Å²	82	114.2 Å²	114.2	57%	0.573	63%	0.628	S	S	*	*			trans	-60.2	130.5	151	44.5	0	0	0	0	106.1	V198 E202	V198-S200 PolarHBondContact O-N 3.25Å; V198-S200 VanDerWaalsContact O-N 3.16Å; S200-E202 PolarHBondContact O-N 2.78Å; S200-E202 PolarHBondContact OG-OE2 2.98Å; S200-E202 VanDerWaalsContact OG-OE2 3.05Å
201	D	46.9	Very low	57.5	Low	125 Å²	125	110.8 Å²	110.8	67%	0.668	60%	0.604	S	S	*	*			trans	-75.1	68.7	-174.1	-157	-14.2	0	0	0	110.1	A199	A199-D201 PolarHBondContact O-N 2.93Å
202	E	54.5	Low	59.2	Low	124 Å²	124	110.4 Å²	110.4	58%	0.579	59%	0.59	S	S	*	*			trans	-105	11.9	-164.6	-146.3	165.2	142.1	0	0	111.9	S200	S200-E202 PolarHBondContact O-N 2.78Å; S200-E202 PolarHBondContact OG-OE2 2.98Å; S200-E202 VanDerWaalsContact OG-OE2 3.05Å
203	E	52.2	Low	61.1	Low	148 Å²	148	111.5 Å²	111.5	69%	0.692	60%	0.602	S	S	*	*	S	Bend	trans	-94.9	-35.5	164.1	-61.3	-134.4	83.9	0	0	112	K212	E203-K212 PolarHBondContact O-NZ 3.26Å; E203-K212 IonicContact OE1-NZ 2.62Å
204	D	54.6	Low	62.5	Low	124 Å²	124	106.7 Å²	106.7	66%	0.663	57%	0.569	S	S	*	*	S	Bend	trans	-92.5	7	179	-91.2	-57.1	0	0	0	115.2	P206	D204-P206 WeakPolarHBondContact O-CD 3.35Å
205	D	72.5	Confident	64.3	Low	62 Å²	62	106 Å²	106	33%	0.332	56%	0.556	S	S	.	*			trans	-67	120.3	169.7	174.7	69.6	0	0	0	111.1	E207 V208 E209	D205-E207 VanDerWaalsContact C-N 3.26Å; D205-E207 PolarHBondContact O-N 2.9Å; D205-E207 WeakPolarHBondContact OD2-CA 3.45Å; D205-E207 WeakPolarHBondContact OD2-CB 3.48Å; D205-E207 PolarHBondContact OD2-N 2.95Å; D205-E207 VanDerWaalsContact OD2-N 3.11Å; D205-V208 HydrophobicContact CB-CB 4.18Å; D205-V208 HydrophobicContact CB-CG2 4.12Å; D205-V208 WeakPolarHBondContact O-CB 3.3Å; D205-V208 PolarHBondContact O-N 2.67Å; D205-V208 WeakPolarHBondContact OD2-CG2 3.2Å; D205-V208 PolarHBondContact OD2-N 2.78Å; D205-E209 PolarHBondContact O-N 2.9Å
206	P	76.9	Confident	65.9	Low	94 Å²	94	107.9 Å²	107.9	61%	0.61	57%	0.573	S	S	*	*	H	α-helix	trans	-70.2	-18.6	-173.9	27.3	-35.4	0	0	0	113.6	D204 F210	D204-P206 WeakPolarHBondContact O-CD 3.35Å; P206-F210 VanDerWaalsContact O-CB 3.22Å; P206-F210 WeakPolarHBondContact O-CB 3.33Å; P206-F210 PolarHBondContact O-N 3.09Å
207	E	70	Confident	68.2	Low	145 Å²	145	107 Å²	107	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-74.8	-37.3	170.4	-62.9	-159	-174.3	0	0	111.2	D205 F210 L211	D205-E207 VanDerWaalsContact C-N 3.26Å; D205-E207 PolarHBondContact O-N 2.9Å; D205-E207 WeakPolarHBondContact OD2-CA 3.45Å; D205-E207 WeakPolarHBondContact OD2-CB 3.48Å; D205-E207 PolarHBondContact OD2-N 2.95Å; D205-E207 VanDerWaalsContact OD2-N 3.11Å; E207-F210 PolarHBondContact O-N 3.06Å; E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 3.26Å
208	V	75.3	Confident	70.5	Confident	43 Å²	43	102.2 Å²	102.2	26%	0.261	55%	0.55	S	S	.	*	H	α-helix	trans	-64.4	-45.1	171.3	172.2	0	0	0	0	111.2	D205 L211 K212	D205-V208 HydrophobicContact CB-CB 4.18Å; D205-V208 HydrophobicContact CB-CG2 4.12Å; D205-V208 WeakPolarHBondContact O-CB 3.3Å; D205-V208 PolarHBondContact O-N 2.67Å; D205-V208 WeakPolarHBondContact OD2-CG2 3.2Å; D205-V208 PolarHBondContact OD2-N 2.78Å; V208-L211 CarbonylContact O-C 3.54Å; V208-L211 PolarHBondContact O-N 3.3Å; V208-K212 HydrophobicContact CG1-CD 4.01Å; V208-K212 HydrophobicContact CG1-CG 4.38Å; V208-K212 WeakPolarHBondContact O-CB 3.48Å; V208-K212 VanDerWaalsContact O-CG 3.27Å; V208-K212 WeakPolarHBondContact O-CG 3.44Å; V208-K212 PolarHBondContact O-N 2.87Å
209	E	80.2	Confident	72.8	Confident	116 Å²	116	99.3 Å²	99.3	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-57.3	-49.8	171.1	-79.6	-126.1	106.4	0	0	112.5	D205 L211 K212 S213	D205-E209 PolarHBondContact O-N 2.9Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.42Å; E209-K212 WeakPolarHBondContact O-CA 3.43Å; E209-K212 WeakPolarHBondContact O-CB 3.47Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 VanDerWaalsContact O-N 3.09Å; E209-S213 PolarHBondContact O-N 3.29Å
210	F	83.1	Confident	75.2	Confident	126 Å²	126	100.4 Å²	100.4	55%	0.553	52%	0.517	S	S	*	.	H	α-helix	trans	-57.6	-44.8	177	175.9	-105.9	0	0	0	110.9	P206 E207 S213 L214	P206-F210 VanDerWaalsContact O-CB 3.22Å; P206-F210 WeakPolarHBondContact O-CB 3.33Å; P206-F210 PolarHBondContact O-N 3.09Å; E207-F210 PolarHBondContact O-N 3.06Å; F210-S213 PolarHBondContact O-N 3.46Å; F210-S213 PolarHBondContact O-OG 3.49Å; F210-L214 HydrophobicContact CE1-CD1 4.09Å; F210-L214 HydrophobicContact CE1-CG 4.47Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CZ-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD2 4.11Å; F210-L214 HydrophobicContact CZ-CG 4.44Å; F210-L214 WeakPolarHBondContact O-CG 3.45Å; F210-L214 PolarHBondContact O-N 2.93Å
211	L	81.4	Confident	77.7	Confident	81 Å²	81	103.3 Å²	103.3	42%	0.424	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-37.2	175	-71.9	172.3	0	0	0	112.6	E207 V208 E209 L214 K219 L222	E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 3.26Å; V208-L211 CarbonylContact O-C 3.54Å; V208-L211 PolarHBondContact O-N 3.3Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.42Å; L211-L214 HydrophobicContact CD2-CD1 4.37Å; L211-K219 WeakPolarHBondContact O-CE 3.38Å; L211-K219 PolarHBondContact O-NZ 3.26Å; L211-L222 HydrophobicContact CD2-CD2 4.02Å
212	K	83.1	Confident	79.8	Confident	105 Å²	105	100.4 Å²	100.4	46%	0.457	50%	0.504	S	S	.	.	H	α-helix	trans	-57.8	-51.8	171.4	-75	163.2	175.9	171.6	0	109.4	E203 V208 E209 L214 K219	E203-K212 PolarHBondContact O-NZ 3.26Å; E203-K212 IonicContact OE1-NZ 2.62Å; V208-K212 HydrophobicContact CG1-CD 4.01Å; V208-K212 HydrophobicContact CG1-CG 4.38Å; V208-K212 WeakPolarHBondContact O-CB 3.48Å; V208-K212 VanDerWaalsContact O-CG 3.27Å; V208-K212 WeakPolarHBondContact O-CG 3.44Å; V208-K212 PolarHBondContact O-N 2.87Å; E209-K212 WeakPolarHBondContact O-CA 3.43Å; E209-K212 WeakPolarHBondContact O-CB 3.47Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 VanDerWaalsContact O-N 3.09Å; K212-L214 PolarHBondContact O-N 2.93Å; K212-K219 PolarHBondContact O-NZ 2.91Å
213	S	83.7	Confident	81.6	Confident	86 Å²	86	100 Å²	100	60%	0.601	51%	0.505	S	S	*	.	H	α-helix	trans	-62.3	-29	-176.1	79.6	0	0	0	0	115.8	E209 F210 T215	E209-S213 PolarHBondContact O-N 3.29Å; F210-S213 PolarHBondContact O-N 3.46Å; F210-S213 PolarHBondContact O-OG 3.49Å; S213-T215 PolarHBondContact O-N 3.11Å
214	L	86.6	Confident	83.6	Confident	25 Å²	25	100.4 Å²	100.4	13%	0.131	50%	0.5	C	S	.	.	S	Bend	trans	-62.9	125.3	-179.6	-70.7	-178.7	0	0	0	111.8	F210 L211 K212 Q218 K219 L222	F210-L214 HydrophobicContact CE1-CD1 4.09Å; F210-L214 HydrophobicContact CE1-CG 4.47Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CZ-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD2 4.11Å; F210-L214 HydrophobicContact CZ-CG 4.44Å; F210-L214 WeakPolarHBondContact O-CG 3.45Å; F210-L214 PolarHBondContact O-N 2.93Å; L211-L214 HydrophobicContact CD2-CD1 4.37Å; K212-L214 PolarHBondContact O-N 2.93Å; L214-Q218 HydrophobicContact CB-CB 4.19Å; L214-Q218 HydrophobicContact CD2-CB 4.08Å; L214-K219 HydrophobicContact CB-CG 3.89Å; L214-K219 VanDerWaalsContact O-CD 3.26Å; L214-K219 WeakPolarHBondContact O-CD 3.46Å; L214-K219 WeakPolarHBondContact O-CE 3.35Å; L214-K219 PolarHBondContact O-NZ 3.03Å; L214-L222 HydrophobicContact CD1-CD2 4.18Å
215	T	89.8	Confident	85.5	Confident	75 Å²	75	101.3 Å²	101.3	46%	0.46	50%	0.498	S	S	.	.			trans	-57.6	154.7	173.2	63.9	0	0	0	0	111.7	S213 K217 Q218 K219	S213-T215 PolarHBondContact O-N 3.11Å; T215-K217 PolarHBondContact O-N 2.63Å; T215-K217 VanDerWaalsContact O-N 3.1Å; T215-Q218 CarbonylContact O-C 3.2Å; T215-Q218 WeakPolarHBondContact O-CA 3.44Å; T215-Q218 WeakPolarHBondContact O-CB 3.37Å; T215-Q218 PolarHBondContact O-N 2.75Å; T215-Q218 VanDerWaalsContact OG1-CD 3.3Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.44Å; T215-Q218 PolarHBondContact OG1-N 3.08Å; T215-Q218 PolarHBondContact OG1-OE1 3.06Å; T215-K219 PolarHBondContact O-N 2.99Å
216	T	85.3	Confident	86.5	Confident	113 Å²	113	102.5 Å²	102.5	69%	0.693	50%	0.504	S	S	*	.	H	α-helix	trans	-52.8	-35.9	177.4	56.3	0	0	0	0	112.9	Q220	T216-Q220 WeakPolarHBondContact O-CB 3.21Å; T216-Q220 PolarHBondContact O-N 3.37Å
217	K	90.5	Very high	87.3	Confident	162 Å²	162	101.7 Å²	101.7	70%	0.704	50%	0.495	S	S	*	.	H	α-helix	trans	-68.3	-34.7	174.8	-64.8	176.2	-177.1	171.9	0	112.6	T215 K221	T215-K217 PolarHBondContact O-N 2.63Å; T215-K217 VanDerWaalsContact O-N 3.1Å; K217-K221 VanDerWaalsContact O-CG 3.28Å; K217-K221 WeakPolarHBondContact O-CG 3.43Å; K217-K221 PolarHBondContact O-N 2.9Å
218	Q	91.1	Very high	88.5	Confident	90 Å²	90	103.5 Å²	103.5	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-74.2	-44.1	172.4	-73.7	155.8	-42.7	0	0	111.7	L214 T215 Q220 K221 L222	L214-Q218 HydrophobicContact CB-CB 4.19Å; L214-Q218 HydrophobicContact CD2-CB 4.08Å; T215-Q218 CarbonylContact O-C 3.2Å; T215-Q218 WeakPolarHBondContact O-CA 3.44Å; T215-Q218 WeakPolarHBondContact O-CB 3.37Å; T215-Q218 PolarHBondContact O-N 2.75Å; T215-Q218 VanDerWaalsContact OG1-CD 3.3Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.44Å; T215-Q218 PolarHBondContact OG1-N 3.08Å; T215-Q218 PolarHBondContact OG1-OE1 3.06Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.44Å; Q218-K221 CarbonylContact O-C 3.58Å; Q218-K221 WeakPolarHBondContact O-CA 3.22Å; Q218-K221 WeakPolarHBondContact O-CB 3.45Å; Q218-K221 PolarHBondContact O-N 3.44Å; Q218-L222 PolarHBondContact O-N 3.09Å
219	K	90.1	Very high	89.3	Confident	77 Å²	77	105.7 Å²	105.7	34%	0.335	51%	0.505	S	S	.	.	H	α-helix	trans	-53.4	-47.1	172.4	-73.7	170	162.6	127.9	0	111.6	L211 K212 L214 T215 K221 L222 L223	L211-K219 WeakPolarHBondContact O-CE 3.38Å; L211-K219 PolarHBondContact O-NZ 3.26Å; K212-K219 PolarHBondContact O-NZ 2.91Å; L214-K219 HydrophobicContact CB-CG 3.89Å; L214-K219 VanDerWaalsContact O-CD 3.26Å; L214-K219 WeakPolarHBondContact O-CD 3.46Å; L214-K219 WeakPolarHBondContact O-CE 3.35Å; L214-K219 PolarHBondContact O-NZ 3.03Å; T215-K219 PolarHBondContact O-N 2.99Å; K219-K221 PolarHBondContact O-N 3.48Å; K219-L222 WeakPolarHBondContact O-CB 3.46Å; K219-L222 PolarHBondContact O-N 3.43Å; K219-L223 WeakPolarHBondContact O-CG 3.45Å; K219-L223 PolarHBondContact O-N 2.96Å
220	Q	89.8	Confident	89.7	Confident	105 Å²	105	104 Å²	104	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-35	176.1	-160	-169.5	71.5	0	0	113	T216 Q218 R224	T216-Q220 WeakPolarHBondContact O-CB 3.21Å; T216-Q220 PolarHBondContact O-N 3.37Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.44Å; Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 VanDerWaalsContact O-CG 3.3Å; Q220-R224 WeakPolarHBondContact O-CG 3.45Å; Q220-R224 PolarHBondContact O-N 3.14Å
221	K	93.8	Very high	90.2	Very high	144 Å²	144	103.7 Å²	103.7	63%	0.626	50%	0.498	S	S	*	.	H	α-helix	trans	-66.2	-36.7	171.7	-76.5	171.5	-178.6	178.7	0	112	K217 Q218 K219 R224 K225	K217-K221 VanDerWaalsContact O-CG 3.28Å; K217-K221 WeakPolarHBondContact O-CG 3.43Å; K217-K221 PolarHBondContact O-N 2.9Å; Q218-K221 CarbonylContact O-C 3.58Å; Q218-K221 WeakPolarHBondContact O-CA 3.22Å; Q218-K221 WeakPolarHBondContact O-CB 3.45Å; Q218-K221 PolarHBondContact O-N 3.44Å; K219-K221 PolarHBondContact O-N 3.48Å; K221-R224 PolarHBondContact O-N 2.92Å; K221-K225 WeakPolarHBondContact O-CG 3.32Å; K221-K225 PolarHBondContact O-N 2.83Å
222	L	91.7	Very high	90.6	Very high	63 Å²	63	107 Å²	107	33%	0.33	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-49.4	176.3	-178.1	61.6	0	0	0	111.1	L211 L214 Q218 K219 R224 K225 L226	L211-L222 HydrophobicContact CD2-CD2 4.02Å; L214-L222 HydrophobicContact CD1-CD2 4.18Å; Q218-L222 PolarHBondContact O-N 3.09Å; K219-L222 WeakPolarHBondContact O-CB 3.46Å; K219-L222 PolarHBondContact O-N 3.43Å; L222-R224 VanDerWaalsContact C-N 3.32Å; L222-R224 PolarHBondContact O-N 3.39Å; L222-K225 WeakPolarHBondContact O-CA 3.41Å; L222-K225 WeakPolarHBondContact O-CB 3.34Å; L222-K225 PolarHBondContact O-N 3.45Å; L222-L226 PolarHBondContact O-N 3.2Å
223	L	92.9	Very high	91	Very high	115 Å²	115	107.6 Å²	107.6	60%	0.602	51%	0.512	S	S	*	.	H	α-helix	trans	-54.2	-47	173.1	-70.9	167.8	0	0	0	111.6	K219 K225 L226 D227	K219-L223 WeakPolarHBondContact O-CG 3.45Å; K219-L223 PolarHBondContact O-N 2.96Å; L223-K225 VanDerWaalsContact C-N 3.26Å; L223-K225 PolarHBondContact O-N 2.91Å; L223-L226 PolarHBondContact O-N 3.41Å; L223-D227 VanDerWaalsContact O-CB 3.27Å; L223-D227 WeakPolarHBondContact O-CB 3.49Å; L223-D227 PolarHBondContact O-N 2.85Å
224	R	94	Very high	91.2	Very high	157 Å²	157	105.8 Å²	105.8	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-23.6	175.2	-72	176	179.6	-167.8	2.6	113.8	Q220 K221 L222 R228	Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 VanDerWaalsContact O-CG 3.3Å; Q220-R224 WeakPolarHBondContact O-CG 3.45Å; Q220-R224 PolarHBondContact O-N 3.14Å; K221-R224 PolarHBondContact O-N 2.92Å; L222-R224 VanDerWaalsContact C-N 3.32Å; L222-R224 PolarHBondContact O-N 3.39Å; R224-R228 WeakPolarHBondContact O-CB 3.26Å; R224-R228 WeakPolarHBondContact O-CD 3.36Å; R224-R228 WeakPolarHBondContact O-CG 3.39Å; R224-R228 PolarHBondContact O-N 3.25Å
225	K	94.2	Very high	91.3	Very high	143 Å²	143	112.4 Å²	112.4	62%	0.622	53%	0.53	S	S	*	.	H	α-helix	trans	-76	-47.7	171	-75.2	174.4	177.7	-179.1	0	111.2	K221 L222 L223 R228 L229	K221-K225 WeakPolarHBondContact O-CG 3.32Å; K221-K225 PolarHBondContact O-N 2.83Å; L222-K225 WeakPolarHBondContact O-CA 3.41Å; L222-K225 WeakPolarHBondContact O-CB 3.34Å; L222-K225 PolarHBondContact O-N 3.45Å; L223-K225 VanDerWaalsContact C-N 3.26Å; L223-K225 PolarHBondContact O-N 2.91Å; K225-R228 WeakPolarHBondContact O-CB 3.24Å; K225-R228 PolarHBondContact O-N 3.29Å; K225-L229 WeakPolarHBondContact O-CG 3.35Å; K225-L229 PolarHBondContact O-N 3.46Å
226	L	93.2	Very high	91.2	Very high	87 Å²	87	116.2 Å²	116.2	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-59.6	-49.4	178.7	-65.8	173.2	0	0	0	111.3	L222 L223 R228 L229 D230	L222-L226 PolarHBondContact O-N 3.2Å; L223-L226 PolarHBondContact O-N 3.41Å; L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.01Å; L226-L229 CarbonylContact O-C 3.55Å; L226-L229 WeakPolarHBondContact O-CA 3.34Å; L226-L229 WeakPolarHBondContact O-CB 3.33Å; L226-L229 PolarHBondContact O-N 2.84Å; L226-D230 PolarHBondContact O-N 3.19Å
227	D	93.8	Very high	91.2	Very high	78 Å²	78	118.7 Å²	118.7	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-59.1	-36.6	177.5	-178.4	53.3	0	0	0	112.4	L223 K231	L223-D227 VanDerWaalsContact O-CB 3.27Å; L223-D227 WeakPolarHBondContact O-CB 3.49Å; L223-D227 PolarHBondContact O-N 2.85Å; D227-K231 WeakPolarHBondContact O-CB 3.24Å; D227-K231 WeakPolarHBondContact O-CD 3.39Å; D227-K231 VanDerWaalsContact O-CG 3.23Å; D227-K231 WeakPolarHBondContact O-CG 3.35Å; D227-K231 PolarHBondContact O-N 3.16Å; D227-K231 WeakPolarHBondContact OD1-CE 3.38Å; D227-K231 IonicContact OD1-NZ 2.69Å; D227-K231 PolarHBondContact OD1-NZ 2.75Å; D227-K231 IonicContact OD2-NZ 2.63Å; D227-K231 PolarHBondContact OD2-NZ 2.94Å
228	R	94.6	Very high	90.9	Very high	183 Å²	183	118.4 Å²	118.4	69%	0.691	54%	0.54	S	S	*	.	H	α-helix	trans	-68.1	-36.5	170.1	-79.4	174.1	171.3	-166.8	-3.1	112.9	R224 K225 L226 K232	R224-R228 WeakPolarHBondContact O-CB 3.26Å; R224-R228 WeakPolarHBondContact O-CD 3.36Å; R224-R228 WeakPolarHBondContact O-CG 3.39Å; R224-R228 PolarHBondContact O-N 3.25Å; K225-R228 WeakPolarHBondContact O-CB 3.24Å; K225-R228 PolarHBondContact O-N 3.29Å; L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.01Å; R228-K232 WeakPolarHBondContact O-CG 3.47Å; R228-K232 PolarHBondContact O-N 3.21Å
229	L	91.6	Very high	90.3	Very high	89 Å²	89	115.9 Å²	115.9	47%	0.466	54%	0.538	S	S	.	.	H	α-helix	trans	-67.8	-43	175.8	-72.1	174.3	0	0	0	111.3	K225 L226 K232 K233	K225-L229 WeakPolarHBondContact O-CG 3.35Å; K225-L229 PolarHBondContact O-N 3.46Å; L226-L229 CarbonylContact O-C 3.55Å; L226-L229 WeakPolarHBondContact O-CA 3.34Å; L226-L229 WeakPolarHBondContact O-CB 3.33Å; L226-L229 PolarHBondContact O-N 2.84Å; L229-K232 CarbonylContact O-C 3.56Å; L229-K232 WeakPolarHBondContact O-CA 3.4Å; L229-K232 WeakPolarHBondContact O-CB 3.38Å; L229-K232 PolarHBondContact O-N 3.35Å; L229-K232 VanDerWaalsContact O-N 3.09Å; L229-K233 WeakPolarHBondContact O-CG 3.4Å; L229-K233 PolarHBondContact O-N 3.37Å
230	D	90.1	Very high	89.9	Confident	79 Å²	79	119.3 Å²	119.3	42%	0.422	55%	0.553	S	S	.	*	H	α-helix	trans	-71.1	-34.9	178.8	-72.2	-36.6	0	0	0	112.6	L226 K232 K233 A234	L226-D230 PolarHBondContact O-N 3.19Å; D230-K232 VanDerWaalsContact C-N 3.28Å; D230-K232 PolarHBondContact O-N 3.45Å; D230-K233 PolarHBondContact O-N 3.39Å; D230-K233 WeakPolarHBondContact OD1-CD 3.39Å; D230-K233 WeakPolarHBondContact OD1-CE 3.21Å; D230-K233 IonicContact OD1-NZ 3.24Å; D230-K233 PolarHBondContact OD1-NZ 2.97Å; D230-A234 VanDerWaalsContact O-CB 3.28Å; D230-A234 WeakPolarHBondContact O-CB 3.24Å; D230-A234 PolarHBondContact O-N 2.88Å
231	K	92.3	Very high	89.2	Confident	120 Å²	120	121.7 Å²	121.7	52%	0.522	56%	0.562	S	S	.	*	H	α-helix	trans	-60.1	-35.9	167	-72.9	164.3	-174.4	167.6	0	111.8	D227 K235	D227-K231 WeakPolarHBondContact O-CB 3.24Å; D227-K231 WeakPolarHBondContact O-CD 3.39Å; D227-K231 VanDerWaalsContact O-CG 3.23Å; D227-K231 WeakPolarHBondContact O-CG 3.35Å; D227-K231 PolarHBondContact O-N 3.16Å; D227-K231 WeakPolarHBondContact OD1-CE 3.38Å; D227-K231 IonicContact OD1-NZ 2.69Å; D227-K231 PolarHBondContact OD1-NZ 2.75Å; D227-K231 IonicContact OD2-NZ 2.63Å; D227-K231 PolarHBondContact OD2-NZ 2.94Å; K231-K235 WeakPolarHBondContact O-CG 3.49Å; K231-K235 PolarHBondContact O-N 3.05Å; K231-K235 VanDerWaalsContact O-N 3.14Å
232	K	91.5	Very high	88.2	Confident	150 Å²	150	121.6 Å²	121.6	65%	0.652	56%	0.563	S	S	*	*	H	α-helix	trans	-69.3	-45.9	170.4	-73.7	174.5	179.6	-176.2	0	112.6	R228 L229 D230 A234 K235 K236	R228-K232 WeakPolarHBondContact O-CG 3.47Å; R228-K232 PolarHBondContact O-N 3.21Å; L229-K232 CarbonylContact O-C 3.56Å; L229-K232 WeakPolarHBondContact O-CA 3.4Å; L229-K232 WeakPolarHBondContact O-CB 3.38Å; L229-K232 PolarHBondContact O-N 3.35Å; L229-K232 VanDerWaalsContact O-N 3.09Å; D230-K232 VanDerWaalsContact C-N 3.28Å; D230-K232 PolarHBondContact O-N 3.45Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.23Å; K232-K235 PolarHBondContact O-N 3.45Å; K232-K236 WeakPolarHBondContact O-CB 3.26Å; K232-K236 PolarHBondContact O-N 2.86Å
233	K	90.3	Very high	87.3	Confident	119 Å²	119	126.5 Å²	126.5	52%	0.517	58%	0.582	S	S	.	*	H	α-helix	trans	-58.4	-43.3	176.2	-66.9	179.5	-150.8	156	0	110.8	L229 D230 K236 K237	L229-K233 WeakPolarHBondContact O-CG 3.4Å; L229-K233 PolarHBondContact O-N 3.37Å; D230-K233 PolarHBondContact O-N 3.39Å; D230-K233 WeakPolarHBondContact OD1-CD 3.39Å; D230-K233 WeakPolarHBondContact OD1-CE 3.21Å; D230-K233 IonicContact OD1-NZ 3.24Å; D230-K233 PolarHBondContact OD1-NZ 2.97Å; K233-K236 PolarHBondContact O-N 3.05Å; K233-K237 WeakPolarHBondContact O-CG 3.45Å; K233-K237 PolarHBondContact O-N 3.11Å
234	A	87.8	Confident	86.3	Confident	47 Å²	47	129 Å²	129	39%	0.388	59%	0.588	S	S	.	*	H	α-helix	trans	-63.5	-45.5	176.9	0	0	0	0	0	112.5	D230 K232 K236 K237 K238	D230-A234 VanDerWaalsContact O-CB 3.28Å; D230-A234 WeakPolarHBondContact O-CB 3.24Å; D230-A234 PolarHBondContact O-N 2.88Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.23Å; A234-K236 PolarHBondContact O-N 2.81Å; A234-K237 PolarHBondContact O-N 3.5Å; A234-K238 PolarHBondContact O-N 3.12Å
235	K	89.4	Confident	85.2	Confident	164 Å²	164	128.9 Å²	128.9	71%	0.713	59%	0.592	S	S	*	*	H	α-helix	trans	-59.7	-43.9	172.6	-74.5	-177.8	178.9	-171.9	0	111.5	K231 K232 K237 K238 G239	K231-K235 WeakPolarHBondContact O-CG 3.49Å; K231-K235 PolarHBondContact O-N 3.05Å; K231-K235 VanDerWaalsContact O-N 3.14Å; K232-K235 PolarHBondContact O-N 3.45Å; K235-K237 PolarHBondContact O-N 3.4Å; K235-K238 PolarHBondContact O-N 2.62Å; K235-G239 PolarHBondContact O-N 2.96Å
236	K	87.6	Confident	83.9	Confident	155 Å²	155	124.9 Å²	124.9	67%	0.674	58%	0.582	S	S	*	*	H	α-helix	trans	-62.5	-39.2	176.1	-162.5	171.5	-175.3	176	0	112.3	K232 K233 A234 K240	K232-K236 WeakPolarHBondContact O-CB 3.26Å; K232-K236 PolarHBondContact O-N 2.86Å; K233-K236 PolarHBondContact O-N 3.05Å; A234-K236 PolarHBondContact O-N 2.81Å; K236-K240 PolarHBondContact O-N 2.99Å; K236-K240 VanDerWaalsContact O-N 3.11Å
237	K	85	Confident	82.6	Confident	166 Å²	166	129.1 Å²	129.1	72%	0.722	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-46	172.3	-75.6	-179.5	178.1	-178.8	0	111.9	K233 A234 K235 K240 K241	K233-K237 WeakPolarHBondContact O-CG 3.45Å; K233-K237 PolarHBondContact O-N 3.11Å; A234-K237 PolarHBondContact O-N 3.5Å; K235-K237 PolarHBondContact O-N 3.4Å; K237-K240 PolarHBondContact O-N 3.25Å; K237-K241 PolarHBondContact O-N 3.31Å; K237-K241 VanDerWaalsContact O-N 3.09Å
238	K	83.6	Confident	80.9	Confident	155 Å²	155	135.7 Å²	135.7	67%	0.674	62%	0.615	S	S	*	*	H	α-helix	trans	-60.8	-47.4	176.8	-73.9	-175.9	178.2	-174.7	0	112	A234 K235 K240 K241 Q242	A234-K238 PolarHBondContact O-N 3.12Å; K235-K238 PolarHBondContact O-N 2.62Å; K238-K240 PolarHBondContact O-N 2.86Å; K238-K241 WeakPolarHBondContact O-CB 3.38Å; K238-K241 PolarHBondContact O-N 3.24Å; K238-K241 VanDerWaalsContact O-N 3.08Å; K238-Q242 PolarHBondContact O-N 2.83Å
239	G	80.1	Confident	79.2	Confident	37 Å²	37	135.2 Å²	135.2	38%	0.381	62%	0.618	S	S	.	*	H	α-helix	trans	-60.7	-43.4	176.8	0	0	0	0	0	113.5	K235 K241 Q242 K243	K235-G239 PolarHBondContact O-N 2.96Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.36Å; G239-Q242 PolarHBondContact O-N 3.26Å; G239-K243 PolarHBondContact O-N 2.88Å
240	K	80.9	Confident	77.4	Confident	149 Å²	149	138.1 Å²	138.1	65%	0.648	63%	0.629	S	S	*	*	H	α-helix	trans	-58.6	-38.7	172	-79.3	-171.2	174.1	-169.9	0	112.2	K236 K237 K238 K244	K236-K240 PolarHBondContact O-N 2.99Å; K236-K240 VanDerWaalsContact O-N 3.11Å; K237-K240 PolarHBondContact O-N 3.25Å; K238-K240 PolarHBondContact O-N 2.86Å; K240-K244 PolarHBondContact O-N 3.03Å; K240-K244 VanDerWaalsContact O-N 3.12Å
241	K	74.3	Confident	75.7	Confident	156 Å²	156	141.7 Å²	141.7	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-67.8	-38.2	177.8	-165.3	170.9	-176.3	174.4	0	112.3	K237 K238 G239 K245	K237-K241 PolarHBondContact O-N 3.31Å; K237-K241 VanDerWaalsContact O-N 3.09Å; K238-K241 WeakPolarHBondContact O-CB 3.38Å; K238-K241 PolarHBondContact O-N 3.24Å; K238-K241 VanDerWaalsContact O-N 3.08Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.36Å; K241-K245 PolarHBondContact O-N 3.35Å
242	Q	73.9	Confident	73.7	Confident	141 Å²	141	145 Å²	145	66%	0.659	66%	0.655	S	S	*	*	H	α-helix	trans	-69.3	-44.3	174	-77.9	175	-46.1	0	0	112.6	K238 G239 K244 K245 S246	K238-Q242 PolarHBondContact O-N 2.83Å; G239-Q242 PolarHBondContact O-N 3.26Å; Q242-K244 VanDerWaalsContact C-N 3.26Å; Q242-K244 PolarHBondContact O-N 3.18Å; Q242-K245 WeakPolarHBondContact O-CA 3.43Å; Q242-K245 WeakPolarHBondContact O-CB 3.39Å; Q242-K245 PolarHBondContact O-N 2.93Å; Q242-S246 PolarHBondContact O-N 3.46Å
243	K	73.3	Confident	71.8	Confident	166 Å²	166	146.6 Å²	146.6	72%	0.722	66%	0.662	S	S	*	*	H	α-helix	trans	-63	-29.7	176.8	-166.9	168.7	-176.7	172.8	0	113	G239 S246 K247	G239-K243 PolarHBondContact O-N 2.88Å; K243-S246 PolarHBondContact O-OG 3.36Å; K243-K247 PolarHBondContact O-N 2.95Å
244	K	71.8	Confident	69.8	Low	169 Å²	169	149 Å²	149	74%	0.735	68%	0.676	S	S	*	*	H	α-helix	trans	-69	-35.4	168.7	-78.2	-166.8	173.8	-167.4	0	113	K240 Q242 R248	K240-K244 PolarHBondContact O-N 3.03Å; K240-K244 VanDerWaalsContact O-N 3.12Å; Q242-K244 VanDerWaalsContact C-N 3.26Å; Q242-K244 PolarHBondContact O-N 3.18Å; K244-R248 PolarHBondContact O-N 2.87Å
245	K	70.6	Confident	67.5	Low	154 Å²	154	153 Å²	153	67%	0.67	69%	0.69	S	S	*	*	H	α-helix	trans	-69.8	-42.5	176	-79.1	-164.6	172	-164.8	0	112.6	K241 Q242 R248 K249	K241-K245 PolarHBondContact O-N 3.35Å; Q242-K245 WeakPolarHBondContact O-CA 3.43Å; Q242-K245 WeakPolarHBondContact O-CB 3.39Å; Q242-K245 PolarHBondContact O-N 2.93Å; K245-R248 PolarHBondContact O-N 3.41Å; K245-K249 PolarHBondContact O-N 3.4Å
246	S	66	Low	65.3	Low	58 Å²	58	150.3 Å²	150.3	41%	0.406	69%	0.692	S	S	.	*	H	α-helix	trans	-66.2	-44	178.7	56.8	0	0	0	0	112.4	Q242 K243 R248 K249 H250	Q242-S246 PolarHBondContact O-N 3.46Å; K243-S246 PolarHBondContact O-OG 3.36Å; S246-R248 PolarHBondContact O-N 3.18Å; S246-K249 PolarHBondContact O-N 2.71Å; S246-H250 PolarHBondContact O-CD2 2.97Å; S246-H250 PolarHBondContact O-N 3.43Å
247	K	65.6	Low	62.8	Low	176 Å²	176	147.5 Å²	147.5	77%	0.765	69%	0.692	S	S	*	*	H	α-helix	trans	-60.3	-28.6	176.9	-165.6	171.5	-179.9	178.2	0	113.1	K243	K243-K247 PolarHBondContact O-N 2.95Å
248	R	58.6	Low	60.3	Low	217 Å²	217	146.6 Å²	146.6	82%	0.819	70%	0.695	S	S	*	*	H	α-helix	trans	-70.5	-32.8	171.2	-88.5	-170.5	169.5	-169.8	-3.6	113.8	K244 K245 S246	K244-R248 PolarHBondContact O-N 2.87Å; K245-R248 PolarHBondContact O-N 3.41Å; S246-R248 PolarHBondContact O-N 3.18Å
249	K	58.4	Low	57.9	Low	173 Å²	173	145.1 Å²	145.1	75%	0.752	70%	0.704	S	S	*	*	H	α-helix	trans	-68.4	-36.5	176.8	-82.3	-160.3	171	-165.4	0	112.8	K245 S246 K252	K245-K249 PolarHBondContact O-N 3.4Å; S246-K249 PolarHBondContact O-N 2.71Å; K249-K252 PolarHBondContact O-N 3.44Å
250	H	54.5	Low	55.6	Low	149 Å²	149	148.8 Å²	148.8	69%	0.69	72%	0.724	S	S	*	*	H	α-helix	trans	-72	-26.1	-179.8	-70.6	-79.2	0	0	0	114.2	S246	S246-H250 PolarHBondContact O-CD2 2.97Å; S246-H250 PolarHBondContact O-N 3.43Å
251	K	53.9	Low	53.3	Low	154 Å²	154	146.2 Å²	146.2	67%	0.67	73%	0.725	S	S	*	*	H	α-helix	trans	-72.2	-31	174.9	-173.6	164.1	-179.5	174.6	0	112.6	K253	K251-K253 PolarHBondContact O-N 2.89Å
252	K	51.6	Low	51.2	Low	190 Å²	190	145.5 Å²	145.5	83%	0.826	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	40.2	-179.2	-150.4	-169.4	-177.7	-169.7	0	113.7	K249	K249-K252 PolarHBondContact O-N 3.44Å
253	K	50.9	Low	49.4	Very low	183 Å²	183	144 Å²	144	80%	0.796	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.7	15.6	-179.4	-93.1	-141.3	171.6	-156.5	0	114	K251	K251-K253 PolarHBondContact O-N 2.89Å
254	Q	48	Very low	47.5	Very low	171 Å²	171	141.5 Å²	141.5	80%	0.799	74%	0.737	S	S	*	*	S	Bend	trans	-120.4	-11.2	171.7	-67.1	-166.9	-81.5	0	0	113.7	S256	Q254-S256 PolarHBondContact O-N 3.4Å
255	D	40.2	Very low	45.6	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	74%	0.741	S	S	*	*	S	Bend	trans	-99.7	64.6	-176.7	-42.8	-63.6	0	0	0	110.3
256	S	42.3	Very low	43.8	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	74%	0.737	S	S	*	*			trans	-163.3	60.6	176.3	69.1	0	0	0	0	114.7	Q254	Q254-S256 PolarHBondContact O-N 3.4Å
257	S	36.3	Very low	42.3	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	75%	0.753	S	S	*	*			trans	-147	152	152.9	69.9	0	0	0	0	110.4
258	D	32	Very low	40.7	Very low	147 Å²	147	137 Å²	137	79%	0.786	76%	0.756	S	S	*	*			trans	76.6	126.6	166.7	-46.1	-58.3	0	0	0	117.3
259	S	32.9	Very low	39.5	Very low	124 Å²	124	131.2 Å²	131.2	87%	0.867	75%	0.749	S	S	*	*			trans	-158.9	93.8	-173.1	-68	0	0	0	0	110.7
260	S	32.4	Very low	38.2	Very low	115 Å²	115	127 Å²	127	80%	0.804	74%	0.741	S	S	*	*			trans	-172.1	139.6	170.5	50.9	0	0	0	0	108.5
261	S	31.8	Very low	37.1	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	75%	0.748	S	S	*	*			cis	-166.3	-177.2	-7.6	44.9	0	0	0	0	109.6
262	D	30.6	Very low	36	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	75%	0.749	S	S	*	*			trans	83.8	133.8	151.7	-62.6	-57.4	0	0	0	123.3
263	S	35.9	Very low	35	Very low	111 Å²	111	122.2 Å²	122.2	78%	0.776	75%	0.745	S	S	*	*			trans	20.3	124	155.7	48.2	0	0	0	0	122.7
264	S	32.9	Very low	34.1	Very low	112 Å²	112	119.2 Å²	119.2	78%	0.783	75%	0.747	S	S	*	*			trans	-72.2	142.1	148.7	54	0	0	0	0	112.4
265	N	33.1	Very low	33.3	Very low	153 Å²	153	118.2 Å²	118.2	82%	0.818	75%	0.747	S	S	*	*				-167.2	169.7	104.2	-152.4	5.7	0	0	0	113.8
266	S	32.5	Very low	32.9	Very low	85 Å²	85	117.8 Å²	117.8	59%	0.594	76%	0.755	S	S	*	*			trans	58.8	89.4	149.8	56.3	0	0	0	0	120.5
267	S	33.3	Very low	32.6	Very low	105 Å²	105	120.5 Å²	120.5	73%	0.734	76%	0.761	S	S	*	*				45	144.9	112.5	62.9	0	0	0	0	123
268	S	33.4	Very low	32.3	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	77%	0.765	S	S	*	*			trans	72.1	151.5	167.6	74.9	0	0	0	0	116.3
269	S	32.9	Very low	32.5	Very low	96 Å²	96	121.8 Å²	121.8	67%	0.671	77%	0.771	S	S	*	*			cis	-164	177.4	-26.3	53.5	0	0	0	0	109.5
270	S	31.1	Very low	32.4	Very low	85 Å²	85	121.6 Å²	121.6	59%	0.594	77%	0.77	S	S	*	*			trans	55.9	102.6	149.5	51.9	0	0	0	0	120.5
271	D	30.1	Very low	32.5	Very low	156 Å²	156	126 Å²	126	83%	0.834	77%	0.774	S	S	*	*				81.7	151.8	120	-54.7	-47.6	0	0	0	124.3
272	S	32.1	Very low	32.7	Very low	98 Å²	98	127 Å²	127	69%	0.685	78%	0.781	S	S	*	*			trans	68.5	110.6	160.6	-79.6	0	0	0	0	124
273	D	30.2	Very low	32.7	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	79%	0.789	S	S	*	*				47.4	117.1	114.9	-48.6	-58.8	0	0	0	120.8
274	S	32.5	Very low	32.5	Very low	120 Å²	120	128.6 Å²	128.6	84%	0.839	79%	0.788	S	S	*	*				-176.1	159	112.7	-79.1	0	0	0	0	113.7
275	D	30.1	Very low	32.5	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	80%	0.795	S	S	*	*			trans	-65.9	159.5	-178.5	-50.7	-97.5	0	0	0	115.4
276	S	33	Very low	32.7	Very low	121 Å²	121	135.1 Å²	135.1	85%	0.846	80%	0.798	S	S	*	*				176.1	141.5	112.9	-77.6	0	0	0	0	114
277	D	34.5	Very low	32.7	Very low	165 Å²	165	141.2 Å²	141.2	88%	0.882	81%	0.814	S	S	*	*			trans	-72.9	147.8	170	-94	-66.8	0	0	0	113
278	G	30.5	Very low	32.9	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	82%	0.819	S	S	*	*			trans	-145.2	56.6	-171.5	0	0	0	0	0	115.6
279	H	36.1	Very low	32.9	Very low	195 Å²	195	148.7 Å²	148.7	90%	0.903	82%	0.818	S	S	*	*			trans	-71.3	124	174.7	-86.1	-23.1	0	0	0	113.5
280	S	31.8	Very low	32.8	Very low	120 Å²	120	151.3 Å²	151.3	84%	0.839	83%	0.825	S	S	*	*			trans	-149.2	167.2	154.6	71.9	0	0	0	0	112.6
281	K	34.9	Very low	32.8	Very low	207 Å²	207	157.4 Å²	157.4	90%	0.9	84%	0.84	S	S	*	*			trans	-139.1	130.2	-169.7	-64.6	169.8	-177.7	163.1	0	112.9
282	S	34.6	Very low	32.9	Very low	115 Å²	115	158.1 Å²	158.1	80%	0.804	84%	0.836	S	S	*	*			trans	-142.5	127.6	157.4	47.9	0	0	0	0	108
283	K	31.6	Very low	33	Very low	213 Å²	213	161.3 Å²	161.3	93%	0.926	84%	0.84	S	S	*	*				68.8	119.8	50.6	-73.3	-170.4	173.9	178.8	0	113.7
284	G	30.5	Very low	32.8	Very low	72 Å²	72	160.7 Å²	160.7	74%	0.742	84%	0.837	S	S	*	*			trans	127.7	74	176.2	0	0	0	0	0	112.2
285	Q	34.4	Very low	32.7	Very low	201 Å²	201	159.4 Å²	159.4	94%	0.939	83%	0.828	S	S	*	*				81.1	158.8	85.3	-75.3	-143.7	9.2	0	0	115.7
286	K	37.7	Very low	32.8	Very low	201 Å²	201	162.1 Å²	162.1	87%	0.874	83%	0.827	S	S	*	*			trans	-98.2	152.2	-163.4	-54.6	165.4	-177.3	167.7	0	112.1
287	K	32.3	Very low	32.8	Very low	213 Å²	213	167 Å²	167	93%	0.926	83%	0.827	S	S	*	*			trans	-151.2	152	140.7	-114.9	168.2	-175	176.7	0	111.9
288	K	37.1	Very low	32.5	Very low	195 Å²	195	165.3 Å²	165.3	85%	0.848	82%	0.818	S	S	*	*			trans	-124.7	138.8	168.9	-75.2	-175.6	175.5	-176	0	107.7
289	K	33.3	Very low	32.4	Very low	186 Å²	186	168.9 Å²	168.9	81%	0.809	82%	0.819	S	S	*	*				162.6	138	122	-91.9	-180	176.4	-176.9	0	112
290	N	30.4	Very low	32	Very low	152 Å²	152	164.4 Å²	164.4	81%	0.813	81%	0.81	S	S	*	*			trans	28.4	128.7	141.5	-49.5	13.4	0	0	0	120.5
291	K	31.7	Very low	32.2	Very low	212 Å²	212	164.6 Å²	164.6	92%	0.922	81%	0.811	S	S	*	*			trans	-126.7	167	130.9	-159.3	169.1	180	-177.5	0	108.6
292	K	32.3	Very low	32	Very low	172 Å²	172	162.7 Å²	162.7	75%	0.748	81%	0.806	S	S	*	*			trans	-137.5	175.9	-168.7	-154.1	-165.9	177	-151.6	0	109.1
293	E	33	Very low	32	Very low	165 Å²	165	162.6 Å²	162.6	77%	0.771	81%	0.805	S	S	*	*			trans	75	149	165.9	-70.6	170.3	-168.2	0	0	117.2
294	D	27	Very low	32.2	Very low	125 Å²	125	157.8 Å²	157.8	67%	0.668	79%	0.786	S	S	*	*			cis	-162.3	175.1	-22.7	-172.4	33.3	0	0	0	110.1
295	S	29.6	Very low	32.3	Very low	94 Å²	94	163.6 Å²	163.6	66%	0.657	79%	0.785	S	S	*	*			trans	85.4	151	153.3	87.3	0	0	0	0	118.4
296	R	32.3	Very low	32.3	Very low	205 Å²	205	164.1 Å²	164.1	77%	0.774	78%	0.779	S	S	*	*			cis	-166.9	162	-19.6	-113.2	171.2	-160.4	-158.6	2.3	109.1
297	R	33.3	Very low	32.1	Very low	223 Å²	223	160.5 Å²	160.5	84%	0.842	77%	0.773	S	S	*	*			trans	67.3	153.2	158.8	-74.9	-177	168.4	167.6	-2.7	118.3
298	D	27.6	Very low	32.1	Very low	131 Å²	131	159.6 Å²	159.6	70%	0.701	77%	0.769	S	S	*	*			cis	-162.5	174.4	-32.2	-134.1	-50.4	0	0	0	111.2
299	N	28.5	Very low	32	Very low	149 Å²	149	155.4 Å²	155.4	80%	0.797	77%	0.765	S	S	*	*			trans	64.2	164.4	170.8	-77.1	-48.6	0	0	0	118.9
300	S	29	Very low	32	Very low	101 Å²	101	154.5 Å²	154.5	71%	0.706	76%	0.763	S	S	*	*			cis	177.2	128.5	-43.9	175.7	0	0	0	0	108.6
301	S	35.4	Very low	32	Very low	125 Å²	125	158.1 Å²	158.1	87%	0.874	77%	0.765	S	S	*	*			trans	-175.8	149.2	147.2	18.7	0	0	0	0	110.3
302	E	31.4	Very low	32	Very low	166 Å²	166	157.4 Å²	157.4	78%	0.776	76%	0.762	S	S	*	*			trans	-108.4	145.4	-168	-171.8	-148.3	115.6	0	0	111.9
303	S	34.5	Very low	32.6	Very low	113 Å²	113	154.3 Å²	154.3	79%	0.79	76%	0.76	S	S	*	*			trans	160.4	155.7	142.3	44.3	0	0	0	0	111.1
304	E	34.2	Very low	32.5	Very low	113 Å²	113	151.9 Å²	151.9	53%	0.528	76%	0.761	S	S	.	*			cis	-169.1	147.7	-42.2	-131.5	-82.2	70	0	0	105.2
305	R	34.3	Very low	32.6	Very low	193 Å²	193	150.3 Å²	150.3	73%	0.728	76%	0.76	S	S	*	*			trans	67.4	144.5	168.8	-50.3	172.5	-167.8	-155.2	-8.8	117.5
306	R	33.5	Very low	32.6	Very low	213 Å²	213	153.7 Å²	153.7	80%	0.804	77%	0.765	S	S	*	*			cis	-161.9	143	-14.9	-114.9	178.1	179.1	-158.8	-1.5	109.3
307	V	33.1	Very low	32.3	Very low	125 Å²	125	154.7 Å²	154.7	76%	0.758	77%	0.768	S	S	*	*			trans	43.2	131	132.8	176.8	0	0	0	0	118.3
308	K	32.6	Very low	32.2	Very low	194 Å²	194	149.4 Å²	149.4	84%	0.843	77%	0.766	S	S	*	*			cis	-147.1	-175.8	23.9	-140.7	157.7	180	-178.3	0	107.1
309	S	35.1	Very low	32.3	Very low	107 Å²	107	154.3 Å²	154.3	75%	0.748	77%	0.774	S	S	*	*			cis	-138.7	-132	15	-66.7	0	0	0	0	112.4
310	Q	33.9	Very low	32.4	Very low	166 Å²	166	152.1 Å²	152.1	78%	0.776	77%	0.771	S	S	*	*			trans	-143.3	148.9	-165.9	-70.2	-164.5	9.4	0	0	115.7
311	R	30.2	Very low	32.4	Very low	229 Å²	229	155.9 Å²	155.9	86%	0.864	78%	0.777	S	S	*	*			trans	62.2	149.8	137.8	-69.2	178	176.5	-134.7	-2.3	122.3
312	K	31.3	Very low	32.4	Very low	197 Å²	197	155.1 Å²	155.1	86%	0.857	77%	0.772	S	S	*	*			trans	-96.7	-165.5	175.4	-35	169.3	-178.7	172.8	0	109
313	P	46	Very low	33.2	Very low	106 Å²	106	152.7 Å²	152.7	69%	0.688	77%	0.77	S	S	*	*			cis	-137	-178.5	-15.8	39.6	-22.2	0	0	0	115.4
314	S	29	Very low	33	Very low	115 Å²	115	155.7 Å²	155.7	80%	0.804	77%	0.772	S	S	*	*			trans	70.3	168.5	156.1	89.4	0	0	0	0	116.5
315	S	30.5	Very low	33	Very low	91 Å²	91	156.7 Å²	156.7	64%	0.636	79%	0.786	S	S	*	*			cis	-151	-175.7	-7.2	72.2	0	0	0	0	110.6
316	H	28.2	Very low	33	Very low	165 Å²	165	150.7 Å²	150.7	76%	0.764	78%	0.784	S	S	*	*			trans	22.8	125	160.8	-56	-56.6	0	0	0	121.5
317	R	27.6	Very low	33.1	Very low	226 Å²	226	148.3 Å²	148.3	85%	0.853	78%	0.782	S	S	*	*				88.6	132	59.6	-167	-170.8	-163.3	-167.4	6.5	113.3
318	S	30	Very low	33	Very low	113 Å²	113	153 Å²	153	79%	0.79	79%	0.786	S	S	*	*			trans	78.9	160	174.3	-52.6	0	0	0	0	116.9
319	R	29.3	Very low	33.2	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.879	79%	0.788	S	S	*	*			cis	-161.9	153.3	-39	-173.6	168.7	-176.6	172.5	-0.3	108.7
320	S	31.1	Very low	33.2	Very low	103 Å²	103	153.4 Å²	153.4	72%	0.72	78%	0.781	S	S	*	*			trans	-61.7	161.1	-176.6	-29.5	0	0	0	0	116.6
321	Q	29.7	Very low	33.3	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	78%	0.78	S	S	*	*				-164.6	161.6	122.5	-143.9	66.1	14.8	0	0	111.7
322	S	34.7	Very low	33.5	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	77%	0.769	S	S	*	*			trans	-107.9	-176.8	173.9	-48.8	0	0	0	0	111.4
323	P	48.1	Very low	33.6	Very low	115 Å²	115	146.9 Å²	146.9	75%	0.747	77%	0.765	S	S	*	*				-153.1	149	118.4	37.9	-20.6	0	0	0	118.8
324	H	31.2	Very low	33.1	Very low	177 Å²	177	146.5 Å²	146.5	82%	0.819	77%	0.765	S	S	*	*			trans	49.1	160.8	136.1	-76.6	-59	0	0	0	124.8
325	T	34.3	Very low	33.4	Very low	134 Å²	134	144.7 Å²	144.7	82%	0.822	76%	0.764	S	S	*	*			cis	-95.9	-136.7	12.8	59.6	0	0	0	0	113.7
326	G	34.2	Very low	33.6	Very low	66 Å²	66	147.1 Å²	147.1	68%	0.68	77%	0.77	S	S	*	*			cis	163.5	150.1	-7.6	0	0	0	0	0	110.2
327	Q	35.6	Very low	33.6	Very low	164 Å²	164	147 Å²	147	77%	0.766	76%	0.764	S	S	*	*			cis	-138.1	154.2	-8.4	-67	-168.5	12.6	0	0	110.7
328	R	30.8	Very low	34.1	Very low	223 Å²	223	144 Å²	144	84%	0.842	75%	0.753	S	S	*	*			trans	40.9	142.7	145.8	-62.9	175.8	177.8	-151.5	-0.8	120.4
329	R	35.9	Very low	34.3	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	74%	0.744	S	S	*	*			cis	-173.5	168.9	-8.3	-114.3	-159.6	161.3	-166.7	-4	104.9
330	A	35.5	Very low	34.3	Very low	71 Å²	71	143.2 Å²	143.2	59%	0.587	74%	0.738	S	S	*	*			cis	-165.3	-177.5	-13.7	0	0	0	0	0	107.5
331	K	36.2	Very low	34.2	Very low	173 Å²	173	147.8 Å²	147.8	75%	0.752	74%	0.74	S	S	*	*			trans	66.4	159.5	-179.2	-65.7	178.6	148.8	-110.9	0	114
332	E	34.6	Very low	34.3	Very low	139 Å²	139	144 Å²	144	65%	0.65	73%	0.729	S	S	*	*			cis	-150.7	148.7	-25.5	-104.8	154.6	178.8	0	0	105.6
333	D	32.9	Very low	34.1	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	73%	0.726	S	S	*	*				78.4	125.5	56.4	-149	79.1	0	0	0	113.4
334	S	35.2	Very low	33.2	Very low	97 Å²	97	151.1 Å²	151.1	68%	0.678	73%	0.731	S	S	*	*			cis	-142.8	154	-11.3	28.8	0	0	0	0	108.3
335	G	35.3	Very low	33	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	73%	0.729	S	S	*	*				88.6	143.9	73.6	0	0	0	0	0	111.3
336	D	34.6	Very low	32.6	Very low	143 Å²	143	151.2 Å²	151.2	77%	0.765	73%	0.732	S	S	*	*			cis	-164.2	-171.1	-16.5	-174.5	19.5	0	0	0	108.1
337	Y	29.9	Very low	32.4	Very low	162 Å²	162	153.1 Å²	153.1	64%	0.635	74%	0.735	S	S	*	*			trans	79.4	119.1	167.8	-95	-133.3	0	0	0	117.8
338	R	36.2	Very low	32	Very low	164 Å²	164	157.1 Å²	157.1	62%	0.619	74%	0.743	S	S	*	*				82.9	148.6	60.7	-75.9	-167.7	-166	-174.9	11.2	112.9
339	Q	35	Very low	31.9	Very low	130 Å²	130	150.8 Å²	150.8	61%	0.607	73%	0.733	S	S	*	*			cis	-161.6	160.5	-4.5	-125.3	-176.2	37.9	0	0	112.7
340	R	30	Very low	31.5	Very low	198 Å²	198	150 Å²	150	75%	0.747	73%	0.73	S	S	*	*			trans	67.1	136.5	152	-75.9	-176.3	170.6	-149.6	-1.5	118.8
341	R	29.4	Very low	31.1	Very low	200 Å²	200	153.6 Å²	153.6	76%	0.755	74%	0.739	S	S	*	*				76.5	124.2	64.4	-141.3	-163.4	-168.4	-130.5	6.4	109.9
342	T	30.8	Very low	30.7	Very low	102 Å²	102	156.4 Å²	156.4	63%	0.626	75%	0.745	S	S	*	*				-160.9	170.9	55.4	38.8	0	0	0	0	114.6
343	E	30.6	Very low	30.8	Very low	145 Å²	145	155 Å²	155	68%	0.678	75%	0.751	S	S	*	*			trans	21.2	152.1	134.8	-51.4	-65.5	125.5	0	0	121.2
344	R	28.6	Very low	31.4	Very low	227 Å²	227	153.9 Å²	153.9	86%	0.857	75%	0.751	S	S	*	*			cis	175.8	118.1	-11.8	173.4	-163.2	-160.1	162.8	-3.1	111.4
345	G	26.9	Very low	31.4	Very low	75 Å²	75	155.8 Å²	155.8	77%	0.773	75%	0.749	S	S	*	*			trans	103.6	153.5	142.2	0	0	0	0	0	122.6
346	R	27.4	Very low	31.1	Very low	238 Å²	238	157.9 Å²	157.9	90%	0.898	74%	0.742	S	S	*	*			trans	60.9	83	152.7	-72.2	-174.7	168.3	-178.4	-3.2	122.5
347	S	29.4	Very low	31.3	Very low	105 Å²	105	157.3 Å²	157.3	73%	0.734	73%	0.733	S	S	*	*				30.1	119.5	115.3	63.9	0	0	0	0	122
348	R	26.9	Very low	31.6	Very low	248 Å²	248	155.8 Å²	155.8	94%	0.936	74%	0.735	S	S	*	*				179.6	140.4	117.2	-106.8	174.8	168.8	165	-5.1	115.8
349	S	28.3	Very low	31.6	Very low	91 Å²	91	156.5 Å²	156.5	64%	0.636	74%	0.742	S	S	*	*			trans	68.7	105.5	133.6	-172.4	0	0	0	0	124
350	R	28.3	Very low	31.5	Very low	222 Å²	222	156.6 Å²	156.6	84%	0.838	75%	0.746	S	S	*	*			trans	73.8	151.7	130.9	-70.8	-179.8	166.2	172.6	-5.3	122.1
351	N	26.1	Very low	31.6	Very low	146 Å²	146	155.9 Å²	155.9	78%	0.781	75%	0.751	S	S	*	*			trans	72.9	145	160	-62.7	-8.9	0	0	0	116.6
352	R	27.7	Very low	31.5	Very low	232 Å²	232	149.9 Å²	149.9	88%	0.875	75%	0.752	S	S	*	*			cis	-158.3	156.1	-14.4	-137.2	-178.5	-177.9	176.5	-1.4	109.2
353	S	37.8	Very low	31.3	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	76%	0.761	S	S	*	*			trans	-91.6	160.1	166.6	-51.3	0	0	0	0	112.3
354	P	45.9	Very low	31.2	Very low	120 Å²	120	150.7 Å²	150.7	78%	0.779	77%	0.77	S	S	*	*			trans	-127	161	130.1	12	9.2	0	0	0	111.3
355	E	33.7	Very low	31.3	Very low	137 Å²	137	145.8 Å²	145.8	64%	0.64	76%	0.756	S	S	*	*			cis	-145.3	-148	-27.6	-137.9	-169.5	135.3	0	0	107	K357	E355-K357 WeakPolarHBondContact OE1-CE 3.48Å; E355-K357 WeakPolarHBondContact OE1-CG 3.39Å; E355-K357 IonicContact OE1-NZ 2.69Å; E355-K357 PolarHBondContact OE1-NZ 2.9Å; E355-K357 IonicContact OE2-NZ 2.98Å; E355-K357 PolarHBondContact OE2-NZ 3.19Å
356	N	29.3	Very low	31.5	Very low	121 Å²	121	151.5 Å²	151.5	65%	0.647	76%	0.755	S	S	*	*			cis	-141.2	150	9.2	-104.6	-56.4	0	0	0	107.4
357	K	39.3	Very low	31.7	Very low	131 Å²	131	152.3 Å²	152.3	57%	0.57	76%	0.758	S	S	*	*				56	130.6	88.4	-56.5	-163.3	-161.6	84.5	0	115.8	E355	E355-K357 WeakPolarHBondContact OE1-CE 3.48Å; E355-K357 WeakPolarHBondContact OE1-CG 3.39Å; E355-K357 IonicContact OE1-NZ 2.69Å; E355-K357 PolarHBondContact OE1-NZ 2.9Å; E355-K357 IonicContact OE2-NZ 2.98Å; E355-K357 PolarHBondContact OE2-NZ 3.19Å
358	I	35.7	Very low	31.6	Very low	131 Å²	131	158 Å²	158	67%	0.672	76%	0.763	S	S	*	*			cis	-149.2	130.5	8.4	-120.7	155.6	0	0	0	111.9
359	K	37.6	Very low	31.7	Very low	179 Å²	179	152.9 Å²	152.9	78%	0.778	75%	0.754	S	S	*	*			trans	43.5	164.5	132.9	-51.8	-176	-179.9	-171.1	0	121.5
360	L	33	Very low	31.6	Very low	131 Å²	131	156.3 Å²	156.3	69%	0.686	77%	0.765	S	S	*	*			cis	-138	153.1	17.8	-79	164.7	0	0	0	114
361	E	30	Very low	31.7	Very low	183 Å²	183	150.2 Å²	150.2	86%	0.855	76%	0.757	S	S	*	*			trans	35.3	145.7	141.7	-67.2	158	-162	0	0	123
362	G	27.8	Very low	32	Very low	75 Å²	75	155 Å²	155	77%	0.773	76%	0.764	S	S	*	*			cis	172.5	171.6	-1.8	0	0	0	0	0	113.8
363	G	27.4	Very low	32	Very low	78 Å²	78	148 Å²	148	80%	0.804	76%	0.764	S	S	*	*			trans	73.1	112	171.1	0	0	0	0	0	116.5
364	Q	29.1	Very low	31.7	Very low	186 Å²	186	154 Å²	154	87%	0.869	77%	0.77	S	S	*	*				77.2	126.8	58.4	-88.2	-168.9	-17.7	0	0	118.5
365	E	29.8	Very low	31	Very low	123 Å²	123	156.6 Å²	156.6	58%	0.575	77%	0.772	S	S	*	*			trans	79.6	118	146.3	-62.3	-104.9	115.1	0	0	122.8
366	R	32	Very low	30.7	Very low	196 Å²	196	158.7 Å²	158.7	74%	0.74	78%	0.781	S	S	*	*			trans	41.1	129.2	132.7	-46.8	179.8	-159.2	175.9	22.8	121.1
367	R	30.1	Very low	30.7	Very low	254 Å²	254	160 Å²	160	96%	0.958	79%	0.793	S	S	*	*				-174.9	-173.1	109.8	-100.1	169.4	-168.1	-121.8	2	114.2
368	R	28.5	Very low	30.2	Very low	226 Å²	226	159.1 Å²	159.1	85%	0.853	80%	0.804	S	S	*	*			trans	-104.7	152.6	-158.7	-72.1	174.6	170.5	165.2	-6.6	114.8
369	N	28	Very low	30	Very low	139 Å²	139	158 Å²	158	74%	0.743	81%	0.807	S	S	*	*			trans	56.5	140.8	141.5	-60.2	11.5	0	0	0	122.6
370	N	26	Very low	29.6	Very low	163 Å²	163	155.4 Å²	155.4	87%	0.872	81%	0.812	S	S	*	*			trans	63.5	136.2	151.8	-81.6	6.1	0	0	0	118.2
371	S	30.5	Very low	29.5	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	82%	0.82	S	S	*	*			cis	-166.1	173.4	21.8	54.7	0	0	0	0	113.5
372	R	31.9	Very low	29.5	Very low	247 Å²	247	152.1 Å²	152.1	93%	0.932	82%	0.821	S	S	*	*			trans	37.2	114	150.2	-67.5	172.3	177.7	168.5	-1.1	119.2
373	G	27.8	Very low	29.5	Very low	85 Å²	85	152 Å²	152	88%	0.876	82%	0.82	S	S	*	*			trans	-160.2	141.6	161.8	0	0	0	0	0	113.2
374	R	32.7	Very low	29.8	Very low	234 Å²	234	157.1 Å²	157.1	88%	0.883	83%	0.828	S	S	*	*			trans	-104.2	139.4	172.7	-87.7	175.6	158.3	-119	6.3	109.9
375	Q	30.1	Very low	29.9	Very low	175 Å²	175	154.4 Å²	154.4	82%	0.818	82%	0.82	S	S	*	*			trans	169.5	125.6	134.2	-93.6	162.2	-17.8	0	0	106.8
376	E	27.8	Very low	29.8	Very low	180 Å²	180	160.4 Å²	160.4	84%	0.841	84%	0.837	S	S	*	*				51.4	112.4	79.3	-69.7	-159.8	147.8	0	0	113.7
377	V	29.3	Very low	29.8	Very low	148 Å²	148	155.2 Å²	155.2	90%	0.897	83%	0.831	S	S	*	*			trans	-133.3	135.7	164.2	-167	0	0	0	0	107.1
378	S	29.3	Very low	29.9	Very low	113 Å²	113	154.4 Å²	154.4	79%	0.79	83%	0.828	S	S	*	*			trans	-87.4	163.5	-166.7	46.4	0	0	0	0	114.2
379	S	30.4	Very low	29.9	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	83%	0.829	S	S	*	*			trans	-77.8	128.7	178.4	55	0	0	0	0	112.9
380	S	30.7	Very low	30.1	Very low	126 Å²	126	154.4 Å²	154.4	88%	0.881	84%	0.837	S	S	*	*			trans	-84.2	112.9	168.7	-56.9	0	0	0	0	111.1
381	T	30.9	Very low	30.2	Very low	137 Å²	137	155.4 Å²	155.4	84%	0.84	84%	0.836	S	S	*	*			trans	-86	140.2	169.6	45.2	0	0	0	0	111.1
382	A	29.3	Very low	30.2	Very low	107 Å²	107	162.4 Å²	162.4	88%	0.884	85%	0.848	S	S	*	*			trans	-128.3	129.8	163.5	0	0	0	0	0	108.2
383	G	28.8	Very low	30	Very low	73 Å²	73	154.1 Å²	154.1	75%	0.753	84%	0.84	S	S	*	*			trans	-132.2	164	178.4	0	0	0	0	0	111.1
384	L	33.2	Very low	30.2	Very low	185 Å²	185	162.3 Å²	162.3	97%	0.969	84%	0.844	S	S	*	*			trans	-134.5	134.3	172.3	-70.1	174.9	0	0	0	109.5
385	D	30.1	Very low	30.2	Very low	130 Å²	130	160 Å²	160	70%	0.695	84%	0.843	S	S	*	*			trans	-97.2	149.4	177.5	-173.1	-72.5	0	0	0	110.4	S387	D385-S387 PolarHBondContact OD1-N 3.24Å
386	R	28.3	Very low	30.2	Very low	248 Å²	248	159.4 Å²	159.4	94%	0.936	85%	0.846	S	S	*	*			trans	-158	91.4	143.8	-110.7	158.1	-173.8	172.3	1.8	112.6
387	S	32.3	Very low	30.7	Very low	87 Å²	87	161.5 Å²	161.5	61%	0.608	85%	0.846	S	S	*	*			trans	22.1	116.9	135.4	-72.1	0	0	0	0	118.2	D385	D385-S387 PolarHBondContact OD1-N 3.24Å
388	R	31.7	Very low	30.7	Very low	238 Å²	238	162.2 Å²	162.2	90%	0.898	85%	0.845	S	S	*	*				97.2	121.7	64.3	-90.6	-179.4	175.2	-178.8	2.6	114.2
389	S	28.3	Very low	31	Very low	126 Å²	126	165.7 Å²	165.7	88%	0.881	85%	0.846	S	S	*	*			trans	-151.1	169.1	151.7	47.2	0	0	0	0	109.3
390	R	32.5	Very low	31.1	Very low	239 Å²	239	166.5 Å²	166.5	90%	0.902	84%	0.841	S	S	*	*			trans	-140.1	137.4	-165.6	-66.8	166.7	163.5	165.8	-8	112.6
391	E	28.4	Very low	31.2	Very low	184 Å²	184	169.8 Å²	169.8	86%	0.86	84%	0.835	S	S	*	*			trans	-153	142.8	141.2	-68.8	-147.5	111	0	0	106.7
392	R	30.7	Very low	31.2	Very low	241 Å²	241	173.2 Å²	173.2	91%	0.909	83%	0.832	S	S	*	*			cis	88.2	134.5	40.1	-82.7	-165.1	171.5	-158.4	1	114.2
393	G	27.9	Very low	31.2	Very low	74 Å²	74	176.2 Å²	176.2	76%	0.763	83%	0.827	S	S	*	*			trans	88.3	103.8	-170.1	0	0	0	0	0	111.3
394	R	30.6	Very low	31.5	Very low	257 Å²	257	177.8 Å²	177.8	97%	0.97	83%	0.827	S	S	*	*			cis	74.1	135.4	48.3	-77.4	-159.6	173	-161.6	-0.7	115.5
395	E	34.1	Very low	31.3	Very low	184 Å²	184	172.4 Å²	172.4	86%	0.86	82%	0.817	S	S	*	*			trans	-73.2	158.6	177.6	-51.2	161.3	126.7	0	0	110.3
396	D	29	Very low	31.5	Very low	164 Å²	164	174.7 Å²	174.7	88%	0.877	83%	0.829	S	S	*	*			trans	-142.9	162.8	141	-127.3	-38.7	0	0	0	112.4
397	R	37.8	Very low	31.6	Very low	224 Å²	224	166.7 Å²	166.7	85%	0.845	82%	0.823	S	S	*	*			trans	-109.7	155.2	-178.7	-61.3	170.1	176.4	162.1	-1.1	109.6
398	D	30.3	Very low	31.7	Very low	163 Å²	163	170.7 Å²	170.7	87%	0.872	83%	0.832	S	S	*	*			trans	-145.4	148.3	150.5	-115.4	-42.1	0	0	0	114.3
399	K	36.1	Very low	31.6	Very low	185 Å²	185	169.9 Å²	169.9	80%	0.804	83%	0.829	S	S	*	*			trans	-163.8	146.5	178.8	-105.2	-170.7	178.3	-177	0	109.5
400	D	31.5	Very low	31.7	Very low	124 Å²	124	168.5 Å²	168.5	66%	0.663	82%	0.82	S	S	*	*			trans	91.8	156.3	172.6	-64.3	-20.1	0	0	0	116.5
401	R	32.7	Very low	31.8	Very low	196 Å²	196	168 Å²	168	74%	0.74	82%	0.818	S	S	*	*			cis	-168.8	129.2	-34	-105.5	166.6	-164	-157.2	-2.7	109.8
402	R	30.6	Very low	31.8	Very low	209 Å²	209	170.8 Å²	170.8	79%	0.789	82%	0.82	S	S	*	*			trans	69.3	156.3	143	-64.6	175.7	170.4	-96.8	-3.4	121.6
403	H	30.2	Very low	31.7	Very low	169 Å²	169	163.8 Å²	163.8	78%	0.782	81%	0.808	S	S	*	*			trans	70.4	144.8	165.9	-71.1	-18.3	0	0	0	118
404	S	34	Very low	31.9	Very low	106 Å²	106	165.5 Å²	165.5	74%	0.741	80%	0.804	S	S	*	*			cis	-162.8	162.8	-16.7	-100.1	0	0	0	0	110.4
405	G	29.5	Very low	32.1	Very low	73 Å²	73	160.9 Å²	160.9	75%	0.753	80%	0.799	S	S	*	*			trans	169.2	128.1	170.9	0	0	0	0	0	113.3
406	D	33.9	Very low	32	Very low	177 Å²	177	155.5 Å²	155.5	95%	0.947	79%	0.793	S	S	*	*			trans	-95.8	162.4	-169.7	-65.2	-78.5	0	0	0	114.9
407	G	30.4	Very low	32.1	Very low	80 Å²	80	155.5 Å²	155.5	83%	0.825	79%	0.793	S	S	*	*			trans	178.4	110	171.4	0	0	0	0	0	112.4
408	E	35.8	Very low	32.2	Very low	171 Å²	171	155 Å²	155	80%	0.799	80%	0.797	S	S	*	*			trans	-85.8	170.5	-175.6	-65.8	-153	126.4	0	0	115.5
409	R	29.7	Very low	32.5	Very low	222 Å²	222	150.3 Å²	150.3	84%	0.838	79%	0.787	S	S	*	*			trans	90.1	106.5	149.2	-73.4	-179	-177.8	-154.3	-4	120.2
410	S	30.1	Very low	32.9	Very low	97 Å²	97	153.1 Å²	153.1	68%	0.678	79%	0.792	S	S	*	*				98.9	108.8	120.9	-162.7	0	0	0	0	120
411	R	34.2	Very low	33.5	Very low	228 Å²	228	154 Å²	154	86%	0.86	80%	0.803	S	S	*	*			trans	37.7	107.7	134.6	-55.2	172.5	177.7	171.9	-1	118.6
412	R	29.6	Very low	34.1	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	80%	0.801	S	S	*	*				174.4	154.4	113.1	-100.4	175.1	179.6	-112.8	3	114.6
413	S	27.8	Very low	34.6	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	78%	0.78	S	S	*	*			trans	56.6	119.9	146.8	-119.1	0	0	0	0	123.6
414	T	32.8	Very low	35.1	Very low	110 Å²	110	144.7 Å²	144.7	68%	0.675	78%	0.784	S	S	*	*				51.4	129.5	122.6	58	0	0	0	0	123.2
415	D	34.1	Very low	35.7	Very low	160 Å²	160	150.1 Å²	150.1	86%	0.856	79%	0.788	S	S	*	*			trans	74.6	153	143.9	-75	-61.2	0	0	0	121.2
416	G	31.4	Very low	36.2	Very low	71 Å²	71	150.5 Å²	150.5	73%	0.732	78%	0.779	S	S	*	*			trans	129.1	44.8	156.8	0	0	0	0	0	120.4
417	N	30.9	Very low	36.7	Very low	164 Å²	164	148.4 Å²	148.4	88%	0.877	76%	0.758	S	S	*	*			trans	-154.7	99	150.6	-141.6	-35.8	0	0	0	116.6
418	K	39.9	Very low	37.5	Very low	215 Å²	215	148.9 Å²	148.9	94%	0.935	75%	0.749	S	S	*	*			trans	-155.3	115.7	161.3	-109.7	-179.3	-178.4	174.4	0	108.8
419	G	36.7	Very low	38.1	Very low	64 Å²	64	150.4 Å²	150.4	66%	0.66	75%	0.747	S	S	*	*			trans	176.5	87	177.1	0	0	0	0	0	116.3
420	R	44.4	Very low	38.7	Very low	243 Å²	243	146.4 Å²	146.4	92%	0.917	74%	0.738	S	S	*	*	S	Bend	trans	176.2	99.8	153.6	-96.6	147.3	-162.1	-139.2	3.5	110.5
421	T	44	Very low	39.5	Very low	144 Å²	144	152 Å²	152	88%	0.883	74%	0.744	S	S	*	*			trans	-175.1	-19.8	160.3	8.7	0	0	0	0	115.5	D423	T421-D423 PolarHBondContact O-N 3.37Å
422	A	46.1	Very low	40.1	Very low	85 Å²	85	149 Å²	149	70%	0.702	73%	0.733	S	S	*	*			trans	-66.4	-37.8	-164.6	0	0	0	0	0	116.7	R424 R425	A422-R424 VanDerWaalsContact C-N 3.33Å; A422-R424 PolarHBondContact O-N 3.33Å; A422-R424 VanDerWaalsContact O-N 3.15Å; A422-R425 PolarHBondContact O-N 3.18Å
423	D	41.7	Very low	40.9	Very low	65 Å²	65	144.1 Å²	144.1	35%	0.348	72%	0.72	S	S	.	*	G	3₁₀ helix	trans	-56.3	-39.2	-164.5	-169.6	-88.8	0	0	0	114.9	F177 T421 R425 S426 R427	F177-D423 HydrophobicContact CE1-CB 4.44Å; F177-D423 HydrophobicContact CE2-CB 3.93Å; F177-D423 VanDerWaalsContact CE2-CG 3.42Å; F177-D423 WeakPolarHBondContact CE2-OD2 3.36Å; F177-D423 HydrophobicContact CZ-CB 3.56Å; F177-D423 WeakPolarHBondContact CZ-OD1 3.39Å; T421-D423 PolarHBondContact O-N 3.37Å; D423-R425 PolarHBondContact O-N 3.41Å; D423-S426 PolarHBondContact O-N 3.37Å; D423-R427 IonicContact OD1-NH1 3.6Å; D423-R427 PolarHBondContact OD1-NH1 3.25Å
424	R	41.2	Very low	41.8	Very low	228 Å²	228	144.8 Å²	144.8	86%	0.86	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-65.6	-8.7	-171.6	-76.6	-169.1	173.1	-161.9	-0.8	115.1	A422	A422-R424 VanDerWaalsContact C-N 3.33Å; A422-R424 PolarHBondContact O-N 3.33Å; A422-R424 VanDerWaalsContact O-N 3.15Å
425	R	44.9	Very low	42.7	Very low	219 Å²	219	149.5 Å²	149.5	83%	0.826	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-93.6	-20.6	-176.7	-122.7	174.2	-177.3	-178.9	-1.1	114.7	A422 D423	A422-R425 PolarHBondContact O-N 3.18Å; D423-R425 PolarHBondContact O-N 3.41Å
426	S	41.4	Very low	43.5	Very low	82 Å²	82	146.7 Å²	146.7	57%	0.573	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-49.4	-171.1	-56.7	0	0	0	0	113.6	D423 S428 R429	D423-S426 PolarHBondContact O-N 3.37Å; S426-S428 PolarHBondContact O-N 2.86Å; S426-R429 PolarHBondContact O-N 3.24Å
427	R	43.7	Very low	44.3	Very low	133 Å²	133	147.9 Å²	147.9	50%	0.502	69%	0.693	S	S	.	*	H	α-helix	trans	-59.4	-12.6	-177.2	-69.3	179.4	172.1	101.3	-2.8	114.7	D423	D423-R427 IonicContact OD1-NH1 3.6Å; D423-R427 PolarHBondContact OD1-NH1 3.25Å
428	S	47.5	Very low	45.3	Very low	90 Å²	90	147.5 Å²	147.5	63%	0.629	68%	0.679	S	S	*	*	H	α-helix	trans	-84.9	-17.3	176.9	-59.8	0	0	0	0	114.2	S426	S426-S428 PolarHBondContact O-N 2.86Å
429	R	47.9	Very low	45.7	Very low	203 Å²	203	138.9 Å²	138.9	77%	0.766	65%	0.651	S	S	*	*	H	α-helix	trans	-83.9	-48.8	-178.7	-88.4	-176.2	168.1	162.1	-2.2	113.3	S426 R431 R432 E433	S426-R429 PolarHBondContact O-N 3.24Å; R429-R431 VanDerWaalsContact C-N 3.25Å; R429-R431 PolarHBondContact O-N 3.46Å; R429-R432 WeakPolarHBondContact O-CB 3.45Å; R429-R432 PolarHBondContact O-N 3.4Å; R429-E433 PolarHBondContact O-N 3.41Å
430	E	42.2	Very low	46.5	Very low	137 Å²	137	145.1 Å²	145.1	64%	0.64	66%	0.655	S	S	*	*	H	α-helix	trans	-54.2	-43.2	-178.4	-60.4	172.8	108.1	0	0	112.1	R432 E433 E434	E430-R432 PolarHBondContact O-N 3.24Å; E430-R432 VanDerWaalsContact O-N 3.09Å; E430-E433 PolarHBondContact O-N 3.08Å; E430-E433 VanDerWaalsContact O-N 3.16Å; E430-E434 PolarHBondContact O-N 2.86Å
431	R	46.8	Very low	46.8	Very low	215 Å²	215	137.8 Å²	137.8	81%	0.811	64%	0.637	S	S	*	*	H	α-helix	trans	-66.4	-11.4	-179.8	-136.3	179.8	-163.9	-167.3	6.5	114.2	R429	R429-R431 VanDerWaalsContact C-N 3.25Å; R429-R431 PolarHBondContact O-N 3.46Å
432	R	47.8	Very low	47.1	Very low	166 Å²	166	140.3 Å²	140.3	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-88.9	-43	172.5	-176	175.1	173.2	159.7	-1.8	111.5	R429 E430 R435 E436	R429-R432 WeakPolarHBondContact O-CB 3.45Å; R429-R432 PolarHBondContact O-N 3.4Å; E430-R432 PolarHBondContact O-N 3.24Å; E430-R432 VanDerWaalsContact O-N 3.09Å; R432-R435 WeakPolarHBondContact O-CA 3.44Å; R432-R435 VanDerWaalsContact O-CB 3.26Å; R432-R435 WeakPolarHBondContact O-CB 3.2Å; R432-R435 PolarHBondContact O-N 2.85Å; R432-E436 IonicContact CZ-OE1 2.89Å; R432-E436 IonicContact NE-OE1 2.73Å; R432-E436 PolarHBondContact NE-OE1 2.98Å; R432-E436 IonicContact NH2-OE1 2.99Å; R432-E436 PolarHBondContact NH2-OE1 2.94Å; R432-E436 PolarHBondContact O-N 2.84Å
433	E	46.4	Very low	47.4	Very low	139 Å²	139	139.6 Å²	139.6	65%	0.65	62%	0.62	S	S	*	*	H	α-helix	trans	-66.1	-41.7	-175.5	-63.8	-169	134.3	0	0	112.4	R429 E430 R435 E436 V437	R429-E433 PolarHBondContact O-N 3.41Å; E430-E433 PolarHBondContact O-N 3.08Å; E430-E433 VanDerWaalsContact O-N 3.16Å; E433-R435 PolarHBondContact O-N 2.79Å; E433-R435 VanDerWaalsContact O-N 3.13Å; E433-E436 PolarHBondContact O-N 3.21Å; E433-E436 VanDerWaalsContact O-N 3.17Å; E433-V437 WeakPolarHBondContact O-CG2 3.31Å; E433-V437 PolarHBondContact O-N 3.35Å
434	E	45	Very low	47.9	Very low	108 Å²	108	145.8 Å²	145.8	51%	0.505	64%	0.639	S	S	.	*	H	α-helix	trans	-50	-38.1	169.3	-100.8	-133.4	106.9	0	0	112.7	E430 R438	E430-E434 PolarHBondContact O-N 2.86Å; E434-R438 WeakPolarHBondContact O-CG 3.36Å; E434-R438 PolarHBondContact O-N 2.85Å; E434-R438 IonicContact OE1-CZ 2.64Å; E434-R438 IonicContact OE1-NE 2.65Å; E434-R438 IonicContact OE1-NH2 2.64Å; E434-R438 PolarHBondContact OE1-NH2 3.3Å; E434-R438 IonicContact OE2-NH2 2.91Å
435	R	52.1	Low	48.5	Very low	208 Å²	208	138.8 Å²	138.8	79%	0.785	63%	0.625	S	S	*	*	H	α-helix	trans	-75.5	-37.5	-175.1	-143.5	176.5	-166.7	-172.9	4.4	111.5	R432 E433 G439	R432-R435 WeakPolarHBondContact O-CA 3.44Å; R432-R435 VanDerWaalsContact O-CB 3.26Å; R432-R435 WeakPolarHBondContact O-CB 3.2Å; R432-R435 PolarHBondContact O-N 2.85Å; E433-R435 PolarHBondContact O-N 2.79Å; E433-R435 VanDerWaalsContact O-N 3.13Å; R435-G439 PolarHBondContact O-N 3.46Å; R435-G439 VanDerWaalsContact O-N 3.17Å
436	E	52	Low	48.9	Very low	101 Å²	101	137.7 Å²	137.7	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-75.1	-35.4	179.1	-65.1	-172.4	-159.4	0	0	112	R432 E433 G439 R440	R432-E436 IonicContact CZ-OE1 2.89Å; R432-E436 IonicContact NE-OE1 2.73Å; R432-E436 PolarHBondContact NE-OE1 2.98Å; R432-E436 IonicContact NH2-OE1 2.99Å; R432-E436 PolarHBondContact NH2-OE1 2.94Å; R432-E436 PolarHBondContact O-N 2.84Å; E433-E436 PolarHBondContact O-N 3.21Å; E433-E436 VanDerWaalsContact O-N 3.17Å; E436-G439 WeakPolarHBondContact O-CA 3.49Å; E436-G439 PolarHBondContact O-N 2.91Å; E436-G439 VanDerWaalsContact O-N 3.1Å; E436-R440 PolarHBondContact O-N 2.94Å
437	V	47.6	Very low	49.5	Very low	96 Å²	96	138.3 Å²	138.3	58%	0.582	62%	0.618	S	S	*	*	H	α-helix	trans	-63.2	-43.3	172.5	174.5	0	0	0	0	111.8	E433 G439 R440 T441	E433-V437 WeakPolarHBondContact O-CG2 3.31Å; E433-V437 PolarHBondContact O-N 3.35Å; V437-G439 PolarHBondContact O-N 2.97Å; V437-R440 PolarHBondContact O-N 3.32Å; V437-T441 PolarHBondContact O-N 2.86Å; V437-T441 PolarHBondContact O-OG1 3.06Å; V437-T441 VanDerWaalsContact O-OG1 3.14Å
438	R	51.1	Low	50	Low	156 Å²	156	141.7 Å²	141.7	59%	0.589	63%	0.63	S	S	*	*	H	α-helix	trans	-68.8	-17.3	173.3	-68.2	178.8	-171.8	-172.9	6.8	113.3	E434 T441	E434-R438 WeakPolarHBondContact O-CG 3.36Å; E434-R438 PolarHBondContact O-N 2.85Å; E434-R438 IonicContact OE1-CZ 2.64Å; E434-R438 IonicContact OE1-NE 2.65Å; E434-R438 IonicContact OE1-NH2 2.64Å; E434-R438 PolarHBondContact OE1-NH2 3.3Å; E434-R438 IonicContact OE2-NH2 2.91Å; R438-T441 PolarHBondContact O-OG1 2.87Å
439	G	49.6	Very low	50.4	Low	34 Å²	34	146.3 Å²	146.3	35%	0.351	63%	0.634	S	S	.	*	H	α-helix	trans	-74.3	-57	169.3	0	0	0	0	0	112.3	R435 E436 V437 T441 R442 S443	R435-G439 PolarHBondContact O-N 3.46Å; R435-G439 VanDerWaalsContact O-N 3.17Å; E436-G439 WeakPolarHBondContact O-CA 3.49Å; E436-G439 PolarHBondContact O-N 2.91Å; E436-G439 VanDerWaalsContact O-N 3.1Å; V437-G439 PolarHBondContact O-N 2.97Å; G439-T441 VanDerWaalsContact C-N 3.27Å; G439-T441 PolarHBondContact O-N 3.14Å; G439-R442 PolarHBondContact O-N 3.31Å; G439-S443 PolarHBondContact O-N 3.44Å
440	R	52.6	Low	50.8	Low	195 Å²	195	142.5 Å²	142.5	74%	0.736	63%	0.625	S	S	*	*	H	α-helix	trans	-59	-33.1	-174.9	-72.9	-176.9	170.7	-159.4	-3.8	114	E436 V437 R444	E436-R440 PolarHBondContact O-N 2.94Å; V437-R440 PolarHBondContact O-N 3.32Å; R440-R444 PolarHBondContact O-N 3.07Å
441	T	50.6	Low	51.4	Low	89 Å²	89	145.5 Å²	145.5	55%	0.546	63%	0.631	S	S	.	*	H	α-helix	trans	-68.7	-32.8	176.3	45.3	0	0	0	0	113.3	V437 R438 G439	V437-T441 PolarHBondContact O-N 2.86Å; V437-T441 PolarHBondContact O-OG1 3.06Å; V437-T441 VanDerWaalsContact O-OG1 3.14Å; R438-T441 PolarHBondContact O-OG1 2.87Å; G439-T441 VanDerWaalsContact C-N 3.27Å; G439-T441 PolarHBondContact O-N 3.14Å
442	R	51.6	Low	51.9	Low	198 Å²	198	138.6 Å²	138.6	75%	0.747	62%	0.615	S	S	*	*	H	α-helix	trans	-72.7	-37.1	176.5	-77	178.2	166.7	168.4	-2.5	112.7	G439 S445 R446	G439-R442 PolarHBondContact O-N 3.31Å; R442-S445 PolarHBondContact O-N 3.33Å; R442-R446 PolarHBondContact O-N 3.21Å
443	S	52.3	Low	52.3	Low	69 Å²	69	138.7 Å²	138.7	48%	0.483	62%	0.615	S	S	.	*	H	α-helix	trans	-61.6	-53.2	177.4	-53.2	0	0	0	0	111.7	G439 S445 R446 D447	G439-S443 PolarHBondContact O-N 3.44Å; S443-S445 PolarHBondContact O-N 3.49Å; S443-R446 WeakPolarHBondContact O-CA 3.23Å; S443-R446 WeakPolarHBondContact O-CB 3.4Å; S443-R446 PolarHBondContact O-N 3.33Å; S443-D447 PolarHBondContact O-N 2.91Å
444	R	52	Low	52.8	Low	196 Å²	196	136.7 Å²	136.7	74%	0.74	61%	0.606	S	S	*	*	H	α-helix	trans	-56.3	-23.7	178.3	-73.4	178.6	167.5	175.7	-4.8	114.3	R440 D447	R440-R444 PolarHBondContact O-N 3.07Å; R444-D447 WeakPolarHBondContact CA-OD2 3.41Å
445	S	52.9	Low	53.3	Low	81 Å²	81	141.5 Å²	141.5	57%	0.566	62%	0.62	S	S	*	*	H	α-helix	trans	-82	-24.4	176.4	-163.4	0	0	0	0	113.2	R442 S443	R442-S445 PolarHBondContact O-N 3.33Å; S443-S445 PolarHBondContact O-N 3.49Å
446	R	54.9	Low	53.8	Low	195 Å²	195	136.9 Å²	136.9	74%	0.736	61%	0.609	S	S	*	*	H	α-helix	trans	-72.1	-48.6	168.5	-74.6	-175.9	168.6	-179.9	-4.4	111.3	R442 S443 R448 R449 E450	R442-R446 PolarHBondContact O-N 3.21Å; S443-R446 WeakPolarHBondContact O-CA 3.23Å; S443-R446 WeakPolarHBondContact O-CB 3.4Å; S443-R446 PolarHBondContact O-N 3.33Å; R446-R448 VanDerWaalsContact C-N 3.32Å; R446-R448 PolarHBondContact O-N 2.92Å; R446-R449 CarbonylContact O-C 3.6Å; R446-R449 WeakPolarHBondContact O-CA 3.41Å; R446-R449 WeakPolarHBondContact O-CB 3.49Å; R446-R449 PolarHBondContact O-N 2.9Å; R446-E450 PolarHBondContact O-N 3.12Å
447	D	53.6	Low	54.1	Low	96 Å²	96	140.8 Å²	140.8	51%	0.513	63%	0.625	S	S	.	*	H	α-helix	trans	-55.3	-44.3	-177.1	-52.7	-44.6	0	0	0	112.6	S443 R444 R449 E450 R451	S443-D447 PolarHBondContact O-N 2.91Å; R444-D447 WeakPolarHBondContact CA-OD2 3.41Å; D447-R449 VanDerWaalsContact C-N 3.27Å; D447-R449 PolarHBondContact O-N 3.19Å; D447-E450 PolarHBondContact O-N 3.47Å; D447-R451 PolarHBondContact O-N 3.43Å; D447-R451 VanDerWaalsContact O-N 3.11Å
448	R	53	Low	54.5	Low	203 Å²	203	145.3 Å²	145.3	77%	0.766	63%	0.631	S	S	*	*	H	α-helix	trans	-61	-34.2	174.7	-77.6	-172.3	171.6	-164.5	-2.1	112.8	R446 S452	R446-R448 VanDerWaalsContact C-N 3.32Å; R446-R448 PolarHBondContact O-N 2.92Å; R448-S452 WeakPolarHBondContact O-CB 3.4Å; R448-S452 PolarHBondContact O-N 2.77Å; R448-S452 PolarHBondContact O-OG 3.29Å
449	R	56.6	Low	54.5	Low	187 Å²	187	146.7 Å²	146.7	71%	0.706	64%	0.642	S	S	*	*	H	α-helix	trans	-79.2	-29.4	-178.3	-152.1	176.2	-164.3	-173.3	5.7	112.2	R446 D447 R453	R446-R449 CarbonylContact O-C 3.6Å; R446-R449 WeakPolarHBondContact O-CA 3.41Å; R446-R449 WeakPolarHBondContact O-CB 3.49Å; R446-R449 PolarHBondContact O-N 2.9Å; D447-R449 VanDerWaalsContact C-N 3.27Å; D447-R449 PolarHBondContact O-N 3.19Å; R449-R453 WeakPolarHBondContact O-CG 3.05Å; R449-R453 PolarHBondContact O-N 3.07Å
450	E	55.6	Low	54.3	Low	124 Å²	124	158.3 Å²	158.3	58%	0.579	68%	0.677	S	S	*	*	H	α-helix	trans	-67.6	-57.6	173.1	-152.2	101	-107.1	0	0	110.5	R446 D447 S452 R453 E454	R446-E450 PolarHBondContact O-N 3.12Å; D447-E450 PolarHBondContact O-N 3.47Å; E450-S452 PolarHBondContact O-N 3.02Å; E450-S452 VanDerWaalsContact O-N 3.16Å; E450-R453 WeakPolarHBondContact O-CB 3.36Å; E450-R453 PolarHBondContact O-N 3.04Å; E450-E454 PolarHBondContact O-N 3.34Å
451	R	55.7	Low	54.4	Low	200 Å²	200	156.5 Å²	156.5	76%	0.755	67%	0.674	S	S	*	*	H	α-helix	trans	-55.1	-34.8	175.8	-98.3	-178.8	169.5	174.6	-2.6	113.1	D447 E454 R455	D447-R451 PolarHBondContact O-N 3.43Å; D447-R451 VanDerWaalsContact O-N 3.11Å; R451-E454 PolarHBondContact O-N 2.91Å; R451-R455 PolarHBondContact O-N 2.95Å; R451-R455 VanDerWaalsContact O-N 3.07Å
452	S	56.6	Low	54.6	Low	69 Å²	69	160 Å²	160	48%	0.483	68%	0.68	S	S	.	*	H	α-helix	trans	-66.1	-36.9	175.7	-62.3	0	0	0	0	112.8	R448 E450 I456	R448-S452 WeakPolarHBondContact O-CB 3.4Å; R448-S452 PolarHBondContact O-N 2.77Å; R448-S452 PolarHBondContact O-OG 3.29Å; E450-S452 PolarHBondContact O-N 3.02Å; E450-S452 VanDerWaalsContact O-N 3.16Å; S452-I456 WeakPolarHBondContact O-CD1 3.13Å; S452-I456 WeakPolarHBondContact O-CG1 3.45Å; S452-I456 PolarHBondContact O-N 2.81Å
453	R	57.1	Low	54.8	Low	169 Å²	169	157.9 Å²	157.9	64%	0.638	68%	0.677	S	S	*	*	H	α-helix	trans	-72.3	-39.3	176.2	-74.5	169.7	161	-170.2	-8.4	111.8	R449 E450 R455 I456 K457	R449-R453 WeakPolarHBondContact O-CG 3.05Å; R449-R453 PolarHBondContact O-N 3.07Å; E450-R453 WeakPolarHBondContact O-CB 3.36Å; E450-R453 PolarHBondContact O-N 3.04Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.03Å; R453-I456 PolarHBondContact O-N 3.11Å; R453-K457 PolarHBondContact O-N 3.06Å; R453-K457 VanDerWaalsContact O-N 3.15Å
454	E	56.9	Low	54.9	Low	97 Å²	97	163.1 Å²	163.1	45%	0.453	69%	0.688	S	S	.	*	H	α-helix	trans	-61.5	-41.6	176.1	-156.4	-164.4	159	0	0	111.5	E450 R451 I456 K457 R458	E450-E454 PolarHBondContact O-N 3.34Å; R451-E454 PolarHBondContact O-N 2.91Å; E454-I456 VanDerWaalsContact C-N 3.26Å; E454-I456 PolarHBondContact O-N 3.07Å; E454-K457 PolarHBondContact O-N 2.86Å; E454-K457 VanDerWaalsContact O-N 3.16Å; E454-R458 PolarHBondContact O-N 3.05Å; E454-R458 IonicContact OE1-CZ 3.29Å; E454-R458 IonicContact OE1-NE 2.78Å; E454-R458 IonicContact OE1-NH2 3.51Å; E454-R458 PolarHBondContact OE1-NH2 2.69Å
455	R	54.3	Low	55.1	Low	209 Å²	209	161.1 Å²	161.1	79%	0.789	69%	0.685	S	S	*	*	H	α-helix	trans	-65.5	-24.9	176.4	-156.1	177.8	-163.6	-170.2	5.4	113.8	R451 R453	R451-R455 PolarHBondContact O-N 2.95Å; R451-R455 VanDerWaalsContact O-N 3.07Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.03Å
456	I	63	Low	55.3	Low	111 Å²	111	166.4 Å²	166.4	57%	0.569	69%	0.693	S	S	*	*	H	α-helix	trans	-78.8	-34.6	174.3	-67.3	164.6	0	0	0	110.9	S452 R453 E454 R458 K459	S452-I456 WeakPolarHBondContact O-CD1 3.13Å; S452-I456 WeakPolarHBondContact O-CG1 3.45Å; S452-I456 PolarHBondContact O-N 2.81Å; R453-I456 PolarHBondContact O-N 3.11Å; E454-I456 VanDerWaalsContact C-N 3.26Å; E454-I456 PolarHBondContact O-N 3.07Å; I456-R458 PolarHBondContact O-N 3.42Å; I456-K459 PolarHBondContact O-N 2.88Å
457	K	58	Low	55.3	Low	183 Å²	183	164.4 Å²	164.4	80%	0.796	69%	0.69	S	S	*	*	H	α-helix	trans	-67.9	-15.1	175.8	-89.3	-166.5	169.9	-167.2	0	114.8	R453 E454	R453-K457 PolarHBondContact O-N 3.06Å; R453-K457 VanDerWaalsContact O-N 3.15Å; E454-K457 PolarHBondContact O-N 2.86Å; E454-K457 VanDerWaalsContact O-N 3.16Å
458	R	56.2	Low	55.4	Low	191 Å²	191	169.6 Å²	169.6	72%	0.721	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	26.7	176.3	-55	-172.7	-165.5	-167.6	3.7	112.9	E454 I456	E454-R458 PolarHBondContact O-N 3.05Å; E454-R458 IonicContact OE1-CZ 3.29Å; E454-R458 IonicContact OE1-NE 2.78Å; E454-R458 IonicContact OE1-NH2 3.51Å; E454-R458 PolarHBondContact OE1-NH2 2.69Å; I456-R458 PolarHBondContact O-N 3.42Å
459	K	51.2	Low	55.6	Low	185 Å²	185	166.8 Å²	166.8	80%	0.804	70%	0.698	S	S	*	*			trans	-136.1	17.5	-179.3	-91.9	-153.4	168.8	-158.2	0	113.9	I456	I456-K459 PolarHBondContact O-N 2.88Å
460	Y	46.4	Very low	55.5	Low	277 Å²	277	165 Å²	165	100%	1.086	70%	0.698	S	S	*	*			trans	-137.2	0	169.4	-78.9	-79.2	0	0	0	107.8

Retrieved 460 of 460 residues in 500.4 ms (Link to these results)

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