A0A3Q0KER6_SCHMA Loading...

Putative vasodilator-stimulated phosphoprotein

AlphaFold DB , UniProt , Accession A0A3Q0KER6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 670 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	63.8	Low	93.4	Very high	226 Å²	226	60.6 Å²	60.6	100%	1.113	35%	0.345	S	S	*	.				0	131.5	0	-174.5	168.6	178.9	0	0	107.5
2	A	89	Confident	93.7	Very high	33 Å²	33	59.7 Å²	59.7	27%	0.273	34%	0.338	S	S	.	.			trans	-88.8	-13.5	-166.7	0	0	0	0	0	115.3	N40 T41 L42	A2-N40 CarbonylContact O-C 3.54Å; A2-N40 WeakPolarHBondContact O-CA 3.26Å; A2-T41 PolarHBondContact O-N 3.42Å; A2-T41 PolarHBondContact O-OG1 3.19Å; A2-L42 HydrophobicContact CB-CD1 3.57Å; A2-L42 HydrophobicContact CB-CG 3.87Å
3	E	94.2	Very high	94	Very high	48 Å²	48	55.5 Å²	55.5	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	-178.1	-56.7	-163.1	154.7	0	0	110.9	Y38 H39 N40 R47	E3-Y38 HydrophobicContact CB-CD1 4.19Å; E3-H39 VanDerWaalsContact CA-O 3.31Å; E3-H39 WeakPolarHBondContact CA-O 3.34Å; E3-N40 HydrophobicContact CG-CB 3.87Å; E3-N40 WeakPolarHBondContact CG-ND2 3.33Å; E3-N40 PolarHBondContact OE1-ND2 3.36Å; E3-R47 IonicContact OE1-CZ 2.69Å; E3-R47 IonicContact OE1-NE 2.7Å; E3-R47 PolarHBondContact OE1-NE 3.3Å; E3-R47 IonicContact OE1-NH2 2.66Å; E3-R47 IonicContact OE2-CZ 3.55Å; E3-R47 IonicContact OE2-NE 3.85Å; E3-R47 PolarHBondContact OE2-NE 3.43Å; E3-R47 IonicContact OE2-NH2 3.46Å; E3-R47 PolarHBondContact OE2-NH2 3.43Å
4	C	95.6	Very high	94.3	Very high	58 Å²	58	54 Å²	54	39%	0.392	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.8	173.2	60.5	0	0	0	0	110.4	Y38 H39	C4-Y38 CarbonylContact O-C 3.49Å; C4-Y38 VanDerWaalsContact O-CA 3.29Å; C4-Y38 WeakPolarHBondContact O-CA 3.47Å; C4-H39 PolarHBondContact N-O 3.28Å; C4-H39 PolarHBondContact O-N 3.09Å
5	A	96.8	Very high	94.4	Very high	47 Å²	47	52.3 Å²	52.3	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.6	172.1	0	0	0	0	0	109	Q36 L37 Y38	A5-Q36 HydrophobicContact CB-CB 4.42Å; A5-L37 CarbonylContact C-O 3.57Å; A5-L37 WeakPolarHBondContact CA-O 3.36Å; A5-Y38 HydrophobicContact CB-CD1 4.26Å; A5-Y38 HydrophobicContact CB-CE1 4.09Å
6	V	96.9	Very high	94.7	Very high	66 Å²	66	53.4 Å²	53.4	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-18	-178.8	-62.9	0	0	0	0	113.1	L37 H39 Y46	V6-L37 HydrophobicContact CG2-CB 4.03Å; V6-L37 HydrophobicContact CG2-CD2 3.75Å; V6-L37 HydrophobicContact CG2-CG 3.67Å; V6-L37 WeakPolarHBondContact CG2-O 3.49Å; V6-L37 PolarHBondContact N-O 3.19Å; V6-H39 HydrophobicContact CG1-CB 3.77Å; V6-Y46 HydrophobicContact CG2-CE1 4.36Å
7	A	97.9	Very high	94.7	Very high	15 Å²	15	53.3 Å²	53.3	12%	0.124	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.6	169.4	0	0	0	0	0	111.5	Q36 L37 F101 A104	A7-Q36 VanDerWaalsContact O-CA 3.26Å; A7-Q36 WeakPolarHBondContact O-CA 3.42Å; A7-L37 HydrophobicContact CB-CB 4.22Å; A7-L37 PolarHBondContact N-O 2.95Å; A7-L37 PolarHBondContact O-N 2.94Å; A7-F101 HydrophobicContact CB-CD2 4.27Å; A7-A104 HydrophobicContact CB-CB 3.48Å; A7-A104 VanDerWaalsContact CB-CB 3.48Å
8	T	98.1	Very high	94.7	Very high	72 Å²	72	54.7 Å²	54.7	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.6	178.9	-60.8	0	0	0	0	109.3	K34 V35 Q36	T8-K34 HydrophobicContact CG2-CD 4.36Å; T8-K34 HydrophobicContact CG2-CG 4.13Å; T8-V35 WeakPolarHBondContact CA-O 3.32Å; T8-Q36 HydrophobicContact CG2-CG 4.13Å; T8-Q36 PolarHBondContact OG1-NE2 3.01Å
9	A	98.5	Very high	94.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.2	176.1	0	0	0	0	0	110.9	V35 F92 E97 F101	A9-V35 PolarHBondContact N-O 3.47Å; A9-V35 PolarHBondContact O-N 3.49Å; A9-F92 HydrophobicContact CB-CD1 3.85Å; A9-F92 HydrophobicContact CB-CE1 3.69Å; A9-E97 HydrophobicContact CB-CB 4.01Å; A9-E97 HydrophobicContact CB-CG 4.5Å; A9-F101 HydrophobicContact CB-CB 4.25Å; A9-F101 HydrophobicContact CB-CD2 3.96Å; A9-F101 HydrophobicContact CB-CG 4.42Å
10	K	98.4	Very high	94.7	Very high	102 Å²	102	62 Å²	62	44%	0.443	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.4	168.7	-63.7	165.6	-172.7	163.9	0	109.8	I32 S33 F92 T93 E97	K10-I32 HydrophobicContact CB-CG2 3.73Å; K10-I32 HydrophobicContact CG-CG2 4.29Å; K10-S33 WeakPolarHBondContact CA-O 3.37Å; K10-F92 CarbonylContact O-C 3.6Å; K10-F92 WeakPolarHBondContact O-CA 3.3Å; K10-T93 HydrophobicContact CB-CG2 3.67Å; K10-T93 PolarHBondContact O-N 2.91Å; K10-E97 WeakPolarHBondContact CB-OE2 3.42Å; K10-E97 VanDerWaalsContact N-CD 3.26Å; K10-E97 PolarHBondContact N-OE1 3.35Å; K10-E97 VanDerWaalsContact N-OE1 3.09Å; K10-E97 PolarHBondContact N-OE2 2.97Å
11	A	98.3	Very high	94.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.3	178.2	0	0	0	0	0	112	S33 V35 L90 N91 F92	A11-S33 PolarHBondContact N-O 2.97Å; A11-S33 WeakPolarHBondContact O-CA 3.38Å; A11-S33 WeakPolarHBondContact O-CB 3.44Å; A11-S33 PolarHBondContact O-N 3.2Å; A11-V35 HydrophobicContact CB-CG2 4.3Å; A11-L90 HydrophobicContact CB-CB 4.06Å; A11-L90 HydrophobicContact CB-CD2 4.25Å; A11-N91 CarbonylContact C-O 3.54Å; A11-N91 VanDerWaalsContact CA-O 3.26Å; A11-N91 WeakPolarHBondContact CA-O 3.31Å; A11-F92 HydrophobicContact CB-CD1 4.04Å; A11-F92 HydrophobicContact CB-CE1 4.43Å; A11-F92 HydrophobicContact CB-CG 4.27Å
12	N	97.6	Very high	96.4	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.262	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.4	157.5	-71	-15.1	0	0	0	108.1	M14 G31 I32 N91	N12-M14 HydrophobicContact CB-SD 4.46Å; N12-G31 PolarHBondContact OD1-O 3.41Å; N12-G31 VanDerWaalsContact OD1-O 3.1Å; N12-I32 WeakPolarHBondContact OD1-CA 3.43Å; N12-I32 WeakPolarHBondContact OD1-CD1 3.46Å; N12-I32 PolarHBondContact OD1-N 3.3Å; N12-N91 HydrophobicContact CB-CB 4.33Å; N12-N91 PolarHBondContact N-O 2.96Å; N12-N91 PolarHBondContact O-N 3.44Å
13	V	97.8	Very high	96.8	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.1	175.9	-173.9	0	0	0	0	109	S26 V35 V59 I60 L90	V13-S26 PolarHBondContact O-N 3.28Å; V13-V35 HydrophobicContact CG2-CG2 3.87Å; V13-V59 HydrophobicContact CB-CB 4.49Å; V13-V59 HydrophobicContact CB-CG2 3.88Å; V13-V59 HydrophobicContact CG1-CG2 4.42Å; V13-V59 HydrophobicContact CG2-CG2 3.62Å; V13-I60 HydrophobicContact CG1-CB 3.98Å; V13-I60 HydrophobicContact CG1-CD1 4.36Å; V13-I60 HydrophobicContact CG1-CG2 4.1Å; V13-I60 HydrophobicContact CG2-CG2 4.15Å; V13-L90 HydrophobicContact CB-CD2 4.31Å; V13-L90 HydrophobicContact CG1-CD2 4.26Å; V13-L90 HydrophobicContact CG2-CD2 3.8Å
14	M	97.3	Very high	96.9	Very high	34 Å²	34	58.5 Å²	58.5	17%	0.167	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.4	-177.2	-53.3	-61.3	-68	0	0	110.5	N12 W23 I24 P25 G89	N12-M14 HydrophobicContact CB-SD 4.46Å; M14-W23 HydrophobicContact CB-CB 4.44Å; M14-W23 HydrophobicContact CB-CE3 3.77Å; M14-W23 HydrophobicContact CB-CZ3 4.46Å; M14-W23 HydrophobicContact CE-CB 3.9Å; M14-W23 VanDerWaalsContact CE-O 3.29Å; M14-W23 WeakPolarHBondContact CE-O 3.38Å; M14-I24 CarbonylContact C-O 3.59Å; M14-I24 VanDerWaalsContact CA-O 3.32Å; M14-I24 WeakPolarHBondContact CA-O 3.43Å; M14-I24 VanDerWaalsContact CE-C 3.49Å; M14-P25 HydrophobicContact CE-CG 4.39Å; M14-G89 PolarHBondContact N-O 3.25Å; M14-G89 PolarHBondContact O-N 3.36Å
15	L	96.9	Very high	96.9	Very high	29 Å²	29	58.3 Å²	58.3	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	168.8	-57.8	179.5	0	0	0	109	W23 I24 Q86 V87 Y88	L15-W23 CarbonylContact O-C 3.54Å; L15-W23 WeakPolarHBondContact O-CA 3.31Å; L15-I24 HydrophobicContact CB-CG1 4.02Å; L15-I24 PolarHBondContact N-O 3.44Å; L15-I24 WeakPolarHBondContact O-CG1 3.43Å; L15-I24 PolarHBondContact O-N 3.1Å; L15-Q86 HydrophobicContact CD2-CG 4.38Å; L15-V87 WeakPolarHBondContact CA-O 3.48Å; L15-Y88 HydrophobicContact CD2-CD1 3.39Å; L15-Y88 HydrophobicContact CD2-CE1 3.49Å; L15-Y88 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y88 HydrophobicContact CD2-CG 4.3Å
16	Y	97.7	Very high	96.8	Very high	70 Å²	70	56.6 Å²	56.6	28%	0.275	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.6	171.4	-169.5	-104.9	0	0	0	110.1	S18 S21 W23 V87	Y16-S18 PolarHBondContact O-N 3.09Å; Y16-S21 WeakPolarHBondContact OH-CA 3.39Å; Y16-S21 PolarHBondContact OH-O 3.39Å; Y16-W23 AromaticContact CD2-CD2 3.96Å; Y16-W23 HydrophobicContact CD2-CD2 3.96Å; Y16-W23 AromaticContact CD2-CE2 3.78Å; Y16-W23 HydrophobicContact CD2-CE3 4.45Å; Y16-W23 HydrophobicContact CD2-CG 4.26Å; Y16-W23 HydrophobicContact CD2-CZ2 4.17Å; Y16-W23 AromaticContact CD2-NE1 3.93Å; Y16-V87 HydrophobicContact CD1-CG2 4.32Å; Y16-V87 HydrophobicContact CG-CG2 4.47Å; Y16-V87 PolarHBondContact N-O 2.64Å; Y16-V87 VanDerWaalsContact N-O 3.16Å
17	D	96	Very high	96.4	Very high	51 Å²	51	55.3 Å²	55.3	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117	165.3	177.7	26	0	0	0	109.1	K19 A20 S21 T22 I24	D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.97Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.43Å; D17-A20 HydrophobicContact CB-CB 4.48Å; D17-A20 WeakPolarHBondContact OD2-CB 3.34Å; D17-A20 PolarHBondContact OD2-N 2.88Å; D17-S21 VanDerWaalsContact O-CA 3.25Å; D17-S21 WeakPolarHBondContact O-CA 3.39Å; D17-S21 PolarHBondContact O-N 3.17Å; D17-T22 PolarHBondContact N-O 3.41Å; D17-T22 PolarHBondContact O-N 2.75Å; D17-I24 HydrophobicContact CB-CD1 4.4Å
18	S	94.3	Very high	95.8	Very high	78 Å²	78	60 Å²	60	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-11	178.5	-55.9	0	0	0	0	113.1	Y16	Y16-S18 PolarHBondContact O-N 3.09Å
19	K	95.1	Very high	95	Very high	191 Å²	191	57.9 Å²	57.9	83%	0.83	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-56.7	173.8	-61.8	179	179.5	179.8	0	111	D17 S21	D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.97Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.43Å; K19-S21 PolarHBondContact O-N 3.43Å
20	A	95.1	Very high	94.5	Very high	65 Å²	65	65.6 Å²	65.6	54%	0.537	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.3	174.8	0	0	0	0	0	113.7	D17 T22	D17-A20 HydrophobicContact CB-CB 4.48Å; D17-A20 WeakPolarHBondContact OD2-CB 3.34Å; D17-A20 PolarHBondContact OD2-N 2.88Å; A20-T22 HydrophobicContact CB-CG2 3.75Å; A20-T22 PolarHBondContact O-N 3.17Å
21	S	96.5	Very high	94.2	Very high	78 Å²	78	61.9 Å²	61.9	55%	0.545	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.7	-178.1	-62.3	0	0	0	0	114	Y16 D17 K19	Y16-S21 WeakPolarHBondContact OH-CA 3.39Å; Y16-S21 PolarHBondContact OH-O 3.39Å; D17-S21 VanDerWaalsContact O-CA 3.25Å; D17-S21 WeakPolarHBondContact O-CA 3.39Å; D17-S21 PolarHBondContact O-N 3.17Å; K19-S21 PolarHBondContact O-N 3.43Å
22	T	97.1	Very high	94.1	Very high	68 Å²	68	64.9 Å²	64.9	42%	0.417	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.3	-169.3	-162.4	0	0	0	0	112.8	D17 A20 I24	D17-T22 PolarHBondContact N-O 3.41Å; D17-T22 PolarHBondContact O-N 2.75Å; A20-T22 HydrophobicContact CB-CG2 3.75Å; A20-T22 PolarHBondContact O-N 3.17Å; T22-I24 HydrophobicContact CG2-CG2 4.05Å
23	W	97	Very high	94.1	Very high	75 Å²	75	62.7 Å²	62.7	28%	0.284	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.2	174.6	-68.9	99.6	0	0	0	110.4	M14 L15 Y16 F77 Q79 V87	M14-W23 HydrophobicContact CB-CB 4.44Å; M14-W23 HydrophobicContact CB-CE3 3.77Å; M14-W23 HydrophobicContact CB-CZ3 4.46Å; M14-W23 HydrophobicContact CE-CB 3.9Å; M14-W23 VanDerWaalsContact CE-O 3.29Å; M14-W23 WeakPolarHBondContact CE-O 3.38Å; L15-W23 CarbonylContact O-C 3.54Å; L15-W23 WeakPolarHBondContact O-CA 3.31Å; Y16-W23 AromaticContact CD2-CD2 3.96Å; Y16-W23 HydrophobicContact CD2-CD2 3.96Å; Y16-W23 AromaticContact CD2-CE2 3.78Å; Y16-W23 HydrophobicContact CD2-CE3 4.45Å; Y16-W23 HydrophobicContact CD2-CG 4.26Å; Y16-W23 HydrophobicContact CD2-CZ2 4.17Å; Y16-W23 AromaticContact CD2-NE1 3.93Å; W23-F77 AromaticContact CD2-CZ 3.94Å; W23-F77 HydrophobicContact CD2-CZ 3.94Å; W23-F77 AromaticContact CE2-CE1 4Å; W23-F77 AromaticContact CE2-CZ 3.69Å; W23-F77 HydrophobicContact CE3-CZ 4.2Å; W23-F77 HydrophobicContact CH2-CE1 4.37Å; W23-F77 AromaticContact CH2-CZ 3.98Å; W23-F77 HydrophobicContact CH2-CZ 3.98Å; W23-F77 AromaticContact CZ2-CE1 3.83Å; W23-F77 HydrophobicContact CZ2-CE1 3.83Å; W23-F77 AromaticContact CZ2-CZ 3.72Å; W23-F77 HydrophobicContact CZ2-CZ 3.72Å; W23-F77 HydrophobicContact CZ3-CZ 4.22Å; W23-Q79 HydrophobicContact CH2-CB 4.1Å; W23-V87 HydrophobicContact CH2-CB 4.42Å; W23-V87 HydrophobicContact CH2-CG1 3.86Å; W23-V87 HydrophobicContact CZ3-CG1 4.47Å
24	I	96.1	Very high	94.1	Very high	74 Å²	74	65.7 Å²	65.7	38%	0.379	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	148.2	173.1	62.2	174.7	0	0	0	110.2	M14 L15 D17 T22	M14-I24 CarbonylContact C-O 3.59Å; M14-I24 VanDerWaalsContact CA-O 3.32Å; M14-I24 WeakPolarHBondContact CA-O 3.43Å; M14-I24 VanDerWaalsContact CE-C 3.49Å; L15-I24 HydrophobicContact CB-CG1 4.02Å; L15-I24 PolarHBondContact N-O 3.44Å; L15-I24 WeakPolarHBondContact O-CG1 3.43Å; L15-I24 PolarHBondContact O-N 3.1Å; D17-I24 HydrophobicContact CB-CD1 4.4Å; T22-I24 HydrophobicContact CG2-CG2 4.05Å
25	P	95.9	Very high	94.2	Very high	54 Å²	54	64 Å²	64	35%	0.351	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.3	168.8	-23.3	34.5	0	0	0	111.2	M14 G27 H30	M14-P25 HydrophobicContact CE-CG 4.39Å; P25-G27 PolarHBondContact O-N 2.99Å; P25-H30 HydrophobicContact CG-CB 4.43Å
26	S	95	Very high	94.3	Very high	12 Å²	12	63.5 Å²	63.5	8%	0.084	36%	0.364	C	S	.	.	S	Bend	trans	-82	112.2	172.4	-159.3	0	0	0	0	109.4	V13 V59	V13-S26 PolarHBondContact O-N 3.28Å; S26-V59 WeakPolarHBondContact CB-O 3.44Å; S26-V59 WeakPolarHBondContact O-CB 3.36Å; S26-V59 WeakPolarHBondContact O-CG1 3.44Å; S26-V59 PolarHBondContact OG-O 3.33Å
27	G	88.4	Confident	94.3	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	35%	0.351	S	S	.	.	S	Bend	trans	100.5	172.9	-175.4	0	0	0	0	0	114.1	P25 G29	P25-G27 PolarHBondContact O-N 2.99Å; G27-G29 PolarHBondContact O-N 2.98Å
28	P	86.1	Confident	94.4	Very high	114 Å²	114	60 Å²	60	74%	0.74	35%	0.347	S	S	*	.	S	Bend	trans	-65.7	11.6	-174.7	27.5	-38.8	0	0	0	116.4	E57	P28-E57 WeakPolarHBondContact CD-OE1 3.46Å; P28-E57 VanDerWaalsContact CD-OE2 3.25Å; P28-E57 WeakPolarHBondContact CD-OE2 3.33Å; P28-E57 WeakPolarHBondContact CG-OE1 3.24Å; P28-E57 WeakPolarHBondContact CG-OE2 3.37Å
29	G	81.1	Confident	94.6	Very high	26 Å²	26	57.7 Å²	57.7	27%	0.268	33%	0.328	S	S	.	.	S	Bend	trans	-172	166	-175.8	0	0	0	0	0	113.7	G27 R52	G27-G29 PolarHBondContact O-N 2.98Å; G29-R52 VanDerWaalsContact C-NH1 3.32Å; G29-R52 PolarHBondContact O-NH1 3.41Å
30	H	86.7	Confident	94.7	Very high	163 Å²	163	49.9 Å²	49.9	76%	0.755	30%	0.295	S	S	*	.			trans	-94	158	-180	60.9	-87.7	0	0	0	111.6	P25	P25-H30 HydrophobicContact CG-CB 4.43Å
31	G	92	Very high	94.7	Very high	24 Å²	24	50.2 Å²	50.2	25%	0.247	29%	0.291	C	S	.	.			trans	147.6	159	170.8	0	0	0	0	0	114.2	N12 S33	N12-G31 PolarHBondContact OD1-O 3.41Å; N12-G31 VanDerWaalsContact OD1-O 3.1Å; G31-S33 PolarHBondContact O-N 2.94Å
32	I	96.7	Very high	94.5	Very high	63 Å²	63	53.3 Å²	53.3	32%	0.323	30%	0.3	S	S	.	.			trans	-59.7	129.4	178.4	-52.8	-54.5	0	0	0	109.6	K10 N12 L53 T93	K10-I32 HydrophobicContact CB-CG2 3.73Å; K10-I32 HydrophobicContact CG-CG2 4.29Å; N12-I32 WeakPolarHBondContact OD1-CA 3.43Å; N12-I32 WeakPolarHBondContact OD1-CD1 3.46Å; N12-I32 PolarHBondContact OD1-N 3.3Å; I32-L53 HydrophobicContact CB-CD1 4.23Å; I32-L53 HydrophobicContact CG2-CD1 3.83Å; I32-L53 WeakPolarHBondContact O-CB 3.42Å; I32-L53 PolarHBondContact O-N 3.26Å; I32-T93 HydrophobicContact CD1-CG2 3.7Å; I32-T93 HydrophobicContact CG1-CG2 4.35Å; I32-T93 HydrophobicContact CG2-CG2 3.99Å
33	S	97.9	Very high	94.4	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.2	173.1	-56.2	0	0	0	0	110.5	K10 A11 G31 W51 R52 V59	K10-S33 WeakPolarHBondContact CA-O 3.37Å; A11-S33 PolarHBondContact N-O 2.97Å; A11-S33 WeakPolarHBondContact O-CA 3.38Å; A11-S33 WeakPolarHBondContact O-CB 3.44Å; A11-S33 PolarHBondContact O-N 3.2Å; G31-S33 PolarHBondContact O-N 2.94Å; S33-W51 CarbonylContact C-O 3.44Å; S33-W51 WeakPolarHBondContact CA-O 3.45Å; S33-W51 VanDerWaalsContact CB-O 3.27Å; S33-W51 WeakPolarHBondContact CB-O 3.42Å; S33-R52 WeakPolarHBondContact OG-CA 3.43Å; S33-V59 WeakPolarHBondContact OG-CG2 3.32Å
34	K	98	Very high	94.3	Very high	68 Å²	68	54.1 Å²	54.1	30%	0.296	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120	163.1	-174.9	-179.6	179.2	-167.7	0	107.1	T8 Q36 G50 W51 L53	T8-K34 HydrophobicContact CG2-CD 4.36Å; T8-K34 HydrophobicContact CG2-CG 4.13Å; K34-Q36 HydrophobicContact CG-CG 4.43Å; K34-G50 CarbonylContact O-C 3.56Å; K34-G50 WeakPolarHBondContact O-CA 3.46Å; K34-W51 HydrophobicContact CB-CZ2 4.48Å; K34-W51 HydrophobicContact CD-CH2 4.26Å; K34-W51 HydrophobicContact CD-CZ2 3.74Å; K34-W51 HydrophobicContact CG-CZ2 4.4Å; K34-W51 PolarHBondContact N-O 3.44Å; K34-W51 PolarHBondContact O-N 3.41Å; K34-L53 HydrophobicContact CB-CD2 3.94Å
35	V	98.5	Very high	94.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.6	-179.9	-173	0	0	0	0	108.5	T8 A9 A11 V13 V48 L90 F101	T8-V35 WeakPolarHBondContact CA-O 3.32Å; A9-V35 PolarHBondContact N-O 3.47Å; A9-V35 PolarHBondContact O-N 3.49Å; A11-V35 HydrophobicContact CB-CG2 4.3Å; V13-V35 HydrophobicContact CG2-CG2 3.87Å; V35-V48 HydrophobicContact CG1-CG1 3.56Å; V35-L90 HydrophobicContact CG1-CD1 4.12Å; V35-L90 HydrophobicContact CG1-CD2 4.44Å; V35-L90 HydrophobicContact CG2-CD2 4.16Å; V35-F101 HydrophobicContact CB-CE2 4.5Å; V35-F101 HydrophobicContact CG1-CE2 3.92Å; V35-F101 HydrophobicContact CG1-CZ 3.9Å
36	Q	98.4	Very high	94.4	Very high	17 Å²	17	51.2 Å²	51.2	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.9	-179.9	-60.4	-165.6	-70.7	0	0	110.8	A5 A7 T8 K34 Y38 V48 V49 W51	A5-Q36 HydrophobicContact CB-CB 4.42Å; A7-Q36 VanDerWaalsContact O-CA 3.26Å; A7-Q36 WeakPolarHBondContact O-CA 3.42Å; T8-Q36 HydrophobicContact CG2-CG 4.13Å; T8-Q36 PolarHBondContact OG1-NE2 3.01Å; K34-Q36 HydrophobicContact CG-CG 4.43Å; Q36-Y38 HydrophobicContact CB-CD2 4.15Å; Q36-Y38 HydrophobicContact CB-CE2 3.79Å; Q36-Y38 PolarHBondContact OE1-OH 3.17Å; Q36-V48 WeakPolarHBondContact O-CA 3.46Å; Q36-V49 PolarHBondContact N-O 3.25Å; Q36-V49 PolarHBondContact O-N 3.06Å; Q36-V49 VanDerWaalsContact O-O 3.12Å; Q36-W51 VanDerWaalsContact OE1-CH2 3.23Å
37	L	98.5	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.7	165.9	-179.6	63.5	0	0	0	107.4	A5 V6 A7 Y46 V48 I64 F101 A104 V105 A108	A5-L37 CarbonylContact C-O 3.57Å; A5-L37 WeakPolarHBondContact CA-O 3.36Å; V6-L37 HydrophobicContact CG2-CB 4.03Å; V6-L37 HydrophobicContact CG2-CD2 3.75Å; V6-L37 HydrophobicContact CG2-CG 3.67Å; V6-L37 WeakPolarHBondContact CG2-O 3.49Å; V6-L37 PolarHBondContact N-O 3.19Å; A7-L37 HydrophobicContact CB-CB 4.22Å; A7-L37 PolarHBondContact N-O 2.95Å; A7-L37 PolarHBondContact O-N 2.94Å; L37-Y46 HydrophobicContact CD1-CD1 4.45Å; L37-Y46 HydrophobicContact CG-CD1 4.41Å; L37-V48 HydrophobicContact CD1-CG2 3.78Å; L37-I64 HydrophobicContact CD1-CG1 4.12Å; L37-F101 HydrophobicContact CB-CE2 4.28Å; L37-F101 HydrophobicContact CB-CZ 4.41Å; L37-A104 HydrophobicContact CD2-CB 4.01Å; L37-V105 HydrophobicContact CD2-CG2 3.92Å; L37-A108 HydrophobicContact CD2-CB 4.15Å
38	Y	98.3	Very high	95	Very high	48 Å²	48	52.8 Å²	52.8	19%	0.188	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.9	174.4	-75.9	-90.3	0	0	0	111	E3 C4 A5 Q36 Y46 R47 V49	E3-Y38 HydrophobicContact CB-CD1 4.19Å; C4-Y38 CarbonylContact O-C 3.49Å; C4-Y38 VanDerWaalsContact O-CA 3.29Å; C4-Y38 WeakPolarHBondContact O-CA 3.47Å; A5-Y38 HydrophobicContact CB-CD1 4.26Å; A5-Y38 HydrophobicContact CB-CE1 4.09Å; Q36-Y38 HydrophobicContact CB-CD2 4.15Å; Q36-Y38 HydrophobicContact CB-CE2 3.79Å; Q36-Y38 PolarHBondContact OE1-OH 3.17Å; Y38-Y46 CarbonylContact O-C 3.58Å; Y38-Y46 VanDerWaalsContact O-CA 3.27Å; Y38-Y46 WeakPolarHBondContact O-CA 3.38Å; Y38-R47 PolarHBondContact N-O 3.43Å; Y38-R47 PolarHBondContact O-N 2.97Å; Y38-V49 HydrophobicContact CD2-CB 3.96Å; Y38-V49 HydrophobicContact CD2-CG2 3.98Å; Y38-V49 HydrophobicContact CE2-CB 3.93Å; Y38-V49 HydrophobicContact CE2-CG2 4.32Å
39	H	97.9	Very high	95.6	Very high	29 Å²	29	48.1 Å²	48.1	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.9	167.1	-179.2	-144.9	0	0	0	109.3	E3 C4 V6 Y46	E3-H39 VanDerWaalsContact CA-O 3.31Å; E3-H39 WeakPolarHBondContact CA-O 3.34Å; C4-H39 PolarHBondContact N-O 3.28Å; C4-H39 PolarHBondContact O-N 3.09Å; V6-H39 HydrophobicContact CG1-CB 3.77Å; H39-Y46 HydrophobicContact CB-CD1 3.77Å; H39-Y46 HydrophobicContact CB-CE1 3.53Å; H39-Y46 AromaticContact CD2-CD2 3.8Å; H39-Y46 AromaticContact CD2-CE1 3.66Å; H39-Y46 AromaticContact CD2-CE2 3.42Å; H39-Y46 VanDerWaalsContact CD2-CE2 3.42Å; H39-Y46 WeakPolarHBondContact CD2-CE2 3.45Å; H39-Y46 AromaticContact CD2-CZ 3.36Å; H39-Y46 AromaticContact CG-CE1 3.57Å; H39-Y46 AromaticContact CG-CZ 3.61Å; H39-Y46 AromaticContact NE2-CE2 3.74Å; H39-Y46 AromaticContact NE2-CZ 3.77Å
40	N	97	Very high	96.4	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.144	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	101.4	175.8	-176.3	-57.2	0	0	0	109	A2 E3 L42 T43 N44 A45	A2-N40 CarbonylContact O-C 3.54Å; A2-N40 WeakPolarHBondContact O-CA 3.26Å; E3-N40 HydrophobicContact CG-CB 3.87Å; E3-N40 WeakPolarHBondContact CG-ND2 3.33Å; E3-N40 PolarHBondContact OE1-ND2 3.36Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.93Å; N40-L42 PolarHBondContact OD1-N 3.4Å; N40-T43 WeakPolarHBondContact CB-OG1 3.35Å; N40-T43 PolarHBondContact O-N 2.94Å; N40-T43 PolarHBondContact OD1-N 2.85Å; N40-T43 VanDerWaalsContact OD1-N 3.16Å; N40-T43 PolarHBondContact OD1-OG1 3.25Å; N40-N44 VanDerWaalsContact O-CA 3.3Å; N40-N44 WeakPolarHBondContact O-CA 3.21Å; N40-N44 PolarHBondContact O-N 3.47Å; N40-A45 PolarHBondContact N-O 3.36Å; N40-A45 PolarHBondContact O-N 2.81Å
41	T	95.1	Very high	96.9	Very high	73 Å²	73	41.9 Å²	41.9	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.4	-169.1	54.8	0	0	0	0	113.7	A2	A2-T41 PolarHBondContact O-N 3.42Å; A2-T41 PolarHBondContact O-OG1 3.19Å
42	L	93.9	Very high	97.1	Very high	142 Å²	142	41.8 Å²	41.8	74%	0.743	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-29	176.8	-61.7	-177.6	0	0	0	112.8	A2 N40	A2-L42 HydrophobicContact CB-CD1 3.57Å; A2-L42 HydrophobicContact CB-CG 3.87Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.93Å; N40-L42 PolarHBondContact OD1-N 3.4Å
43	T	94.4	Very high	97	Very high	89 Å²	89	42.5 Å²	42.5	55%	0.546	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-6.3	-178.5	58.1	0	0	0	0	113.4	N40 A45	N40-T43 WeakPolarHBondContact CB-OG1 3.35Å; N40-T43 PolarHBondContact O-N 2.94Å; N40-T43 PolarHBondContact OD1-N 2.85Å; N40-T43 VanDerWaalsContact OD1-N 3.16Å; N40-T43 PolarHBondContact OD1-OG1 3.25Å; T43-A45 PolarHBondContact O-N 2.85Å; T43-A45 WeakPolarHBondContact OG1-CB 3.2Å
44	N	94.8	Very high	96.7	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	36	-170.1	-62.7	-86.6	0	0	0	112.7	N40 L112 L115	N40-N44 VanDerWaalsContact O-CA 3.3Å; N40-N44 WeakPolarHBondContact O-CA 3.21Å; N40-N44 PolarHBondContact O-N 3.47Å; N44-L112 VanDerWaalsContact O-CD2 3.28Å; N44-L112 WeakPolarHBondContact O-CD2 3.41Å; N44-L115 HydrophobicContact CB-CD2 3.53Å
45	A	96.4	Very high	96.5	Very high	43 Å²	43	48.4 Å²	48.4	36%	0.355	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.6	-179.3	0	0	0	0	0	110.9	N40 T43	N40-A45 PolarHBondContact N-O 3.36Å; N40-A45 PolarHBondContact O-N 2.81Å; T43-A45 PolarHBondContact O-N 2.85Å; T43-A45 WeakPolarHBondContact OG1-CB 3.2Å
46	Y	97.9	Very high	96.3	Very high	25 Å²	25	57.9 Å²	57.9	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.4	176.5	-69.8	-100.3	0	0	0	111	V6 L37 Y38 H39 I64 A108 L112	V6-Y46 HydrophobicContact CG2-CE1 4.36Å; L37-Y46 HydrophobicContact CD1-CD1 4.45Å; L37-Y46 HydrophobicContact CG-CD1 4.41Å; Y38-Y46 CarbonylContact O-C 3.58Å; Y38-Y46 VanDerWaalsContact O-CA 3.27Å; Y38-Y46 WeakPolarHBondContact O-CA 3.38Å; H39-Y46 HydrophobicContact CB-CD1 3.77Å; H39-Y46 HydrophobicContact CB-CE1 3.53Å; H39-Y46 AromaticContact CD2-CD2 3.8Å; H39-Y46 AromaticContact CD2-CE1 3.66Å; H39-Y46 AromaticContact CD2-CE2 3.42Å; H39-Y46 VanDerWaalsContact CD2-CE2 3.42Å; H39-Y46 WeakPolarHBondContact CD2-CE2 3.45Å; H39-Y46 AromaticContact CD2-CZ 3.36Å; H39-Y46 AromaticContact CG-CE1 3.57Å; H39-Y46 AromaticContact CG-CZ 3.61Å; H39-Y46 AromaticContact NE2-CE2 3.74Å; H39-Y46 AromaticContact NE2-CZ 3.77Å; Y46-I64 PolarHBondContact O-N 3.39Å; Y46-A108 HydrophobicContact CD1-CB 3.42Å; Y46-A108 VanDerWaalsContact CD1-CB 3.42Å; Y46-A108 HydrophobicContact CD2-CB 4.08Å; Y46-A108 HydrophobicContact CE1-CB 3.43Å; Y46-A108 VanDerWaalsContact CE1-CB 3.43Å; Y46-A108 HydrophobicContact CE2-CB 4.11Å; Y46-A108 HydrophobicContact CG-CB 3.73Å; Y46-L112 HydrophobicContact CD2-CD1 3.85Å; Y46-L112 HydrophobicContact CD2-CD2 4.07Å; Y46-L112 HydrophobicContact CD2-CG 3.74Å; Y46-L112 HydrophobicContact CE2-CG 4.06Å
47	R	97.6	Very high	96.2	Very high	82 Å²	82	60.3 Å²	60.3	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.6	174.1	60.6	-179.4	-175.6	142.4	-7.3	112.6	E3 Y38 V49 N61 C62	E3-R47 IonicContact OE1-CZ 2.69Å; E3-R47 IonicContact OE1-NE 2.7Å; E3-R47 PolarHBondContact OE1-NE 3.3Å; E3-R47 IonicContact OE1-NH2 2.66Å; E3-R47 IonicContact OE2-CZ 3.55Å; E3-R47 IonicContact OE2-NE 3.85Å; E3-R47 PolarHBondContact OE2-NE 3.43Å; E3-R47 IonicContact OE2-NH2 3.46Å; E3-R47 PolarHBondContact OE2-NH2 3.43Å; Y38-R47 PolarHBondContact N-O 3.43Å; Y38-R47 PolarHBondContact O-N 2.97Å; R47-V49 HydrophobicContact CG-CG2 4.04Å; R47-N61 PolarHBondContact NH1-OD1 3.47Å; R47-N61 VanDerWaalsContact NH1-OD1 3.1Å; R47-C62 CarbonylContact C-O 3.54Å; R47-C62 VanDerWaalsContact CA-O 3.29Å; R47-C62 WeakPolarHBondContact CA-O 3.44Å; R47-C62 WeakPolarHBondContact CB-O 3.46Å
48	V	98.3	Very high	96.1	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.5	169.9	173.3	0	0	0	0	108.2	V35 Q36 L37 I60 N61 C62 I64 W80 F101	V35-V48 HydrophobicContact CG1-CG1 3.56Å; Q36-V48 WeakPolarHBondContact O-CA 3.46Å; L37-V48 HydrophobicContact CD1-CG2 3.78Å; V48-I60 HydrophobicContact CG1-CD1 4.19Å; V48-I60 HydrophobicContact CG1-CG2 4.41Å; V48-N61 CarbonylContact O-C 3.57Å; V48-N61 WeakPolarHBondContact O-CA 3.33Å; V48-C62 PolarHBondContact N-O 3.3Å; V48-C62 PolarHBondContact O-N 3.03Å; V48-I64 HydrophobicContact CG2-CD1 3.85Å; V48-I64 HydrophobicContact CG2-CG1 4.04Å; V48-W80 HydrophobicContact CB-CZ2 4.38Å; V48-W80 HydrophobicContact CG1-CH2 4.25Å; V48-W80 HydrophobicContact CG1-CZ2 4.26Å; V48-W80 HydrophobicContact CG2-CZ2 4.46Å; V48-F101 HydrophobicContact CG1-CZ 4.06Å; V48-F101 HydrophobicContact CG2-CE1 4.39Å; V48-F101 HydrophobicContact CG2-CZ 3.92Å
49	V	97.9	Very high	96	Very high	17 Å²	17	62.8 Å²	62.8	10%	0.103	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.9	175.3	-177.1	0	0	0	0	108	Q36 Y38 R47 V58 I60	Q36-V49 PolarHBondContact N-O 3.25Å; Q36-V49 PolarHBondContact O-N 3.06Å; Q36-V49 VanDerWaalsContact O-O 3.12Å; Y38-V49 HydrophobicContact CD2-CB 3.96Å; Y38-V49 HydrophobicContact CD2-CG2 3.98Å; Y38-V49 HydrophobicContact CE2-CB 3.93Å; Y38-V49 HydrophobicContact CE2-CG2 4.32Å; R47-V49 HydrophobicContact CG-CG2 4.04Å; V49-V58 HydrophobicContact CG1-CG1 4.31Å; V49-I60 CarbonylContact C-O 3.57Å; V49-I60 VanDerWaalsContact CA-O 3.31Å; V49-I60 WeakPolarHBondContact CA-O 3.39Å
50	G	97.6	Very high	95.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	143.4	179.7	0	0	0	0	0	112.4	K34 V58 V59 I60	K34-G50 CarbonylContact O-C 3.56Å; K34-G50 WeakPolarHBondContact O-CA 3.46Å; G50-V58 CarbonylContact O-C 3.51Å; G50-V59 WeakPolarHBondContact O-CG2 3.39Å; G50-V59 PolarHBondContact O-N 3.26Å; G50-I60 PolarHBondContact N-O 3.05Å; G50-I60 PolarHBondContact O-N 2.95Å
51	W	97.3	Very high	95.9	Very high	58 Å²	58	65.1 Å²	65.1	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.8	-178	62.6	90.1	0	0	0	112.3	S33 K34 Q36 E57 V58	S33-W51 CarbonylContact C-O 3.44Å; S33-W51 WeakPolarHBondContact CA-O 3.45Å; S33-W51 VanDerWaalsContact CB-O 3.27Å; S33-W51 WeakPolarHBondContact CB-O 3.42Å; K34-W51 HydrophobicContact CB-CZ2 4.48Å; K34-W51 HydrophobicContact CD-CH2 4.26Å; K34-W51 HydrophobicContact CD-CZ2 3.74Å; K34-W51 HydrophobicContact CG-CZ2 4.4Å; K34-W51 PolarHBondContact N-O 3.44Å; K34-W51 PolarHBondContact O-N 3.41Å; Q36-W51 VanDerWaalsContact OE1-CH2 3.23Å; W51-E57 CarbonylContact C-O 3.47Å; W51-E57 WeakPolarHBondContact CA-O 3.32Å; W51-E57 WeakPolarHBondContact CB-O 3.44Å; W51-V58 HydrophobicContact CB-CG2 4.46Å
52	R	96.3	Very high	95.9	Very high	22 Å²	22	61.9 Å²	61.9	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.5	179	-179.9	163.7	65.9	-145.5	2.4	110	G29 S33 P54 D55 R56 E57 V59	G29-R52 VanDerWaalsContact C-NH1 3.32Å; G29-R52 PolarHBondContact O-NH1 3.41Å; S33-R52 WeakPolarHBondContact OG-CA 3.43Å; R52-P54 HydrophobicContact CG-CG 4.49Å; R52-D55 WeakPolarHBondContact CB-OD1 3.36Å; R52-D55 VanDerWaalsContact CG-OD1 3.28Å; R52-D55 WeakPolarHBondContact CG-OD1 3.13Å; R52-D55 IonicContact CZ-OD1 3.53Å; R52-D55 IonicContact CZ-OD2 3.55Å; R52-D55 VanDerWaalsContact CZ-OD2 3.3Å; R52-D55 IonicContact NE-OD1 3.18Å; R52-D55 PolarHBondContact NE-OD1 3.27Å; R52-D55 IonicContact NE-OD2 3.9Å; R52-D55 PolarHBondContact NE-OD2 3.09Å; R52-D55 VanDerWaalsContact NE-OD2 3.15Å; R52-D55 IonicContact NH2-OD1 3.35Å; R52-D55 IonicContact NH2-OD2 3.57Å; R52-D55 PolarHBondContact NH2-OD2 3.41Å; R52-R56 WeakPolarHBondContact O-CA 3.2Å; R52-R56 PolarHBondContact O-N 3.36Å; R52-E57 IonicContact CZ-OE2 3.89Å; R52-E57 PolarHBondContact N-O 3.05Å; R52-E57 IonicContact NH1-OE2 2.94Å; R52-E57 PolarHBondContact NH1-OE2 3.46Å; R52-E57 IonicContact NH2-OE2 3.15Å; R52-E57 PolarHBondContact NH2-OE2 2.93Å; R52-V59 HydrophobicContact CB-CG1 4.07Å
53	L	95.3	Very high	96.1	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.403	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-44.7	-171.5	-75.8	175.1	0	0	0	114.6	I32 K34 D55	I32-L53 HydrophobicContact CB-CD1 4.23Å; I32-L53 HydrophobicContact CG2-CD1 3.83Å; I32-L53 WeakPolarHBondContact O-CB 3.42Å; I32-L53 PolarHBondContact O-N 3.26Å; K34-L53 HydrophobicContact CB-CD2 3.94Å; L53-D55 PolarHBondContact O-N 3.32Å
54	P	91.8	Very high	96.2	Very high	113 Å²	113	54.8 Å²	54.8	73%	0.734	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-45.5	177.9	-33.1	35	0	0	0	116.2	R52	R52-P54 HydrophobicContact CG-CG 4.49Å
55	D	93.4	Very high	96.2	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.444	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-7.5	-165.3	62.6	-20.5	0	0	0	114.3	R52 L53 E57	R52-D55 WeakPolarHBondContact CB-OD1 3.36Å; R52-D55 VanDerWaalsContact CG-OD1 3.28Å; R52-D55 WeakPolarHBondContact CG-OD1 3.13Å; R52-D55 IonicContact CZ-OD1 3.53Å; R52-D55 IonicContact CZ-OD2 3.55Å; R52-D55 VanDerWaalsContact CZ-OD2 3.3Å; R52-D55 IonicContact NE-OD1 3.18Å; R52-D55 PolarHBondContact NE-OD1 3.27Å; R52-D55 IonicContact NE-OD2 3.9Å; R52-D55 PolarHBondContact NE-OD2 3.09Å; R52-D55 VanDerWaalsContact NE-OD2 3.15Å; R52-D55 IonicContact NH2-OD1 3.35Å; R52-D55 IonicContact NH2-OD2 3.57Å; R52-D55 PolarHBondContact NH2-OD2 3.41Å; L53-D55 PolarHBondContact O-N 3.32Å; D55-E57 VanDerWaalsContact C-N 3.26Å; D55-E57 PolarHBondContact O-N 3.1Å
56	R	94.3	Very high	96	Very high	199 Å²	199	58.1 Å²	58.1	75%	0.751	30%	0.298	S	S	*	.			trans	66.1	20.6	178.3	-47.7	-178.6	-177.1	-163	0.8	114.6	R52 V58	R52-R56 WeakPolarHBondContact O-CA 3.2Å; R52-R56 PolarHBondContact O-N 3.36Å; R56-V58 PolarHBondContact O-N 3.17Å
57	E	95.7	Very high	95.7	Very high	68 Å²	68	60.6 Å²	60.6	32%	0.318	33%	0.331	S	S	.	.			trans	-61.2	131.1	170.6	-177.5	178.3	-146.8	0	0	110.6	P28 W51 R52 D55 V59	P28-E57 WeakPolarHBondContact CD-OE1 3.46Å; P28-E57 VanDerWaalsContact CD-OE2 3.25Å; P28-E57 WeakPolarHBondContact CD-OE2 3.33Å; P28-E57 WeakPolarHBondContact CG-OE1 3.24Å; P28-E57 WeakPolarHBondContact CG-OE2 3.37Å; W51-E57 CarbonylContact C-O 3.47Å; W51-E57 WeakPolarHBondContact CA-O 3.32Å; W51-E57 WeakPolarHBondContact CB-O 3.44Å; R52-E57 IonicContact CZ-OE2 3.89Å; R52-E57 PolarHBondContact N-O 3.05Å; R52-E57 IonicContact NH1-OE2 2.94Å; R52-E57 PolarHBondContact NH1-OE2 3.46Å; R52-E57 IonicContact NH2-OE2 3.15Å; R52-E57 PolarHBondContact NH2-OE2 2.93Å; D55-E57 VanDerWaalsContact C-N 3.26Å; D55-E57 PolarHBondContact O-N 3.1Å; E57-V59 PolarHBondContact O-N 3.08Å; E57-V59 VanDerWaalsContact O-N 3.09Å
58	V	96.2	Very high	95.7	Very high	89 Å²	89	57.6 Å²	57.6	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	93.4	177.8	-179	0	0	0	0	109.9	V49 G50 W51 R56 I60 N61	V49-V58 HydrophobicContact CG1-CG1 4.31Å; G50-V58 CarbonylContact O-C 3.51Å; W51-V58 HydrophobicContact CB-CG2 4.46Å; R56-V58 PolarHBondContact O-N 3.17Å; V58-I60 WeakPolarHBondContact CG1-O 3.05Å; V58-N61 HydrophobicContact CG1-CB 4.37Å
59	V	96.4	Very high	95.6	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-14.5	-177.6	-63.8	0	0	0	0	114.1	V13 S26 S33 G50 R52 E57	V13-V59 HydrophobicContact CB-CB 4.49Å; V13-V59 HydrophobicContact CB-CG2 3.88Å; V13-V59 HydrophobicContact CG1-CG2 4.42Å; V13-V59 HydrophobicContact CG2-CG2 3.62Å; S26-V59 WeakPolarHBondContact CB-O 3.44Å; S26-V59 WeakPolarHBondContact O-CB 3.36Å; S26-V59 WeakPolarHBondContact O-CG1 3.44Å; S26-V59 PolarHBondContact OG-O 3.33Å; S33-V59 WeakPolarHBondContact OG-CG2 3.32Å; G50-V59 WeakPolarHBondContact O-CG2 3.39Å; G50-V59 PolarHBondContact O-N 3.26Å; R52-V59 HydrophobicContact CB-CG1 4.07Å; E57-V59 PolarHBondContact O-N 3.08Å; E57-V59 VanDerWaalsContact O-N 3.09Å
60	I	96.7	Very high	95.6	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140	171.5	-172.9	170.5	0	0	0	112.1	V13 V48 V49 G50 V58 C62 W80 Y88	V13-I60 HydrophobicContact CG1-CB 3.98Å; V13-I60 HydrophobicContact CG1-CD1 4.36Å; V13-I60 HydrophobicContact CG1-CG2 4.1Å; V13-I60 HydrophobicContact CG2-CG2 4.15Å; V48-I60 HydrophobicContact CG1-CD1 4.19Å; V48-I60 HydrophobicContact CG1-CG2 4.41Å; V49-I60 CarbonylContact C-O 3.57Å; V49-I60 VanDerWaalsContact CA-O 3.31Å; V49-I60 WeakPolarHBondContact CA-O 3.39Å; G50-I60 PolarHBondContact N-O 3.05Å; G50-I60 PolarHBondContact O-N 2.95Å; V58-I60 WeakPolarHBondContact CG1-O 3.05Å; I60-C62 HydrophobicContact CD1-CB 4.09Å; I60-C62 HydrophobicContact CG1-CB 3.97Å; I60-W80 HydrophobicContact CD1-CH2 4.26Å; I60-W80 HydrophobicContact CD1-CZ2 3.75Å; I60-Y88 HydrophobicContact CD1-CD1 3.38Å; I60-Y88 HydrophobicContact CD1-CE1 3.84Å; I60-Y88 HydrophobicContact CD1-CG 3.89Å; I60-Y88 HydrophobicContact CG1-CD1 3.97Å; I60-Y88 HydrophobicContact CG1-CE1 3.9Å
61	N	96.7	Very high	95.6	Very high	98 Å²	98	70.5 Å²	70.5	52%	0.524	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	84.1	169.4	-179.4	15.3	0	0	0	107.6	R47 V48 V58	R47-N61 PolarHBondContact NH1-OD1 3.47Å; R47-N61 VanDerWaalsContact NH1-OD1 3.1Å; V48-N61 CarbonylContact O-C 3.57Å; V48-N61 WeakPolarHBondContact O-CA 3.33Å; V58-N61 HydrophobicContact CG1-CB 4.37Å
62	C	96	Very high	95.6	Very high	5 Å²	5	71 Å²	71	3%	0.034	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.9	-171.4	-178.1	0	0	0	0	110.4	R47 V48 I60 Y88	R47-C62 CarbonylContact C-O 3.54Å; R47-C62 VanDerWaalsContact CA-O 3.29Å; R47-C62 WeakPolarHBondContact CA-O 3.44Å; R47-C62 WeakPolarHBondContact CB-O 3.46Å; V48-C62 PolarHBondContact N-O 3.3Å; V48-C62 PolarHBondContact O-N 3.03Å; I60-C62 HydrophobicContact CD1-CB 4.09Å; I60-C62 HydrophobicContact CG1-CB 3.97Å; C62-Y88 HydrophobicContact CB-CE2 4.27Å
63	A	96.8	Very high	95.7	Very high	74 Å²	74	72 Å²	72	61%	0.612	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.4	171.8	0	0	0	0	0	110.7	A65	A63-A65 PolarHBondContact O-N 2.97Å
64	I	96.8	Very high	95.8	Very high	9 Å²	9	74.8 Å²	74.8	5%	0.046	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	102	175	-61.5	-57.8	0	0	0	108.4	L37 Y46 V48 L68 L109 L112	L37-I64 HydrophobicContact CD1-CG1 4.12Å; Y46-I64 PolarHBondContact O-N 3.39Å; V48-I64 HydrophobicContact CG2-CD1 3.85Å; V48-I64 HydrophobicContact CG2-CG1 4.04Å; I64-L68 HydrophobicContact CD1-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CD1 4.45Å; I64-L109 HydrophobicContact CG2-CD2 3.72Å; I64-L109 HydrophobicContact CG2-CG 4.32Å; I64-L112 HydrophobicContact CG2-CD1 4.2Å; I64-L112 WeakPolarHBondContact O-CD1 3.5Å
65	A	94.6	Very high	96.1	Very high	52 Å²	52	73.5 Å²	73.5	43%	0.43	39%	0.39	S	S	.	.			trans	-75.9	150.9	178	0	0	0	0	0	111.9	A63 G67 L68	A63-A65 PolarHBondContact O-N 2.97Å; A65-G67 PolarHBondContact O-N 2.87Å; A65-L68 WeakPolarHBondContact O-CB 3.3Å; A65-L68 PolarHBondContact O-N 3.41Å; A65-L68 VanDerWaalsContact O-N 3.14Å
66	R	92.5	Very high	96.3	Very high	132 Å²	132	71.6 Å²	71.6	50%	0.498	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	133	165.8	-85.6	176.9	53.6	-125.9	-13	110.6	L68 L112 H116	R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 3.42Å; R66-L112 VanDerWaalsContact CD-O 3.31Å; R66-L112 WeakPolarHBondContact CD-O 3.36Å; R66-L112 HydrophobicContact CG-CB 3.77Å; R66-L112 WeakPolarHBondContact CG-O 3.46Å; R66-H116 VanDerWaalsContact NE-CB 3.33Å; R66-H116 PolarHBondContact NH1-CE1 2.91Å; R66-H116 VanDerWaalsContact NH1-CG 3.28Å; R66-H116 PolarHBondContact NH1-ND1 2.95Å; R66-H116 PolarHBondContact NH2-CD2 3.46Å; R66-H116 PolarHBondContact NH2-NE2 3.2Å
67	G	92.5	Very high	96.5	Very high	77 Å²	77	63 Å²	63	79%	0.794	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	7	179.4	0	0	0	0	0	115	A65 K69	A65-G67 PolarHBondContact O-N 2.87Å; G67-K69 PolarHBondContact O-N 3.47Å
68	L	96.1	Very high	96.6	Very high	18 Å²	18	59.8 Å²	59.8	9%	0.094	34%	0.335	C	S	.	.			trans	-57.2	124.9	170.3	173.7	153.9	0	0	0	110	I64 A65 R66 Y70 W80 L109	I64-L68 HydrophobicContact CD1-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CD1 4.45Å; A65-L68 WeakPolarHBondContact O-CB 3.3Å; A65-L68 PolarHBondContact O-N 3.41Å; A65-L68 VanDerWaalsContact O-N 3.14Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 3.42Å; L68-Y70 PolarHBondContact O-N 2.86Å; L68-W80 HydrophobicContact CD1-CG 4.34Å; L68-W80 HydrophobicContact CD2-CB 3.89Å; L68-W80 HydrophobicContact CD2-CG 4.17Å; L68-W80 HydrophobicContact CG-CB 4.32Å; L68-L109 HydrophobicContact CB-CD2 4.01Å; L68-L109 HydrophobicContact CD2-CD1 4.42Å; L68-L109 WeakPolarHBondContact O-CD1 3.41Å
69	K	96	Very high	96.7	Very high	172 Å²	172	58 Å²	58	75%	0.748	32%	0.321	S	S	*	.			trans	-87.4	96.7	179.7	-173.6	174.4	179.9	176.4	0	110.2	G67	G67-K69 PolarHBondContact O-N 3.47Å
70	Y	97.8	Very high	96.8	Very high	31 Å²	31	57.8 Å²	57.8	12%	0.122	32%	0.318	C	S	.	.			trans	-75.3	134.7	169.7	-165.1	-97.9	0	0	0	110.3	L68 Q72 H78 W80 A102 V105	L68-Y70 PolarHBondContact O-N 2.86Å; Y70-Q72 HydrophobicContact CD1-CG 4.36Å; Y70-Q72 HydrophobicContact CE1-CG 4.11Å; Y70-H78 HydrophobicContact CE1-CB 3.78Å; Y70-H78 AromaticContact CE1-CG 3.9Å; Y70-H78 AromaticContact CE1-ND1 3.66Å; Y70-H78 HydrophobicContact CE2-CB 4.37Å; Y70-H78 AromaticContact CZ-CG 3.98Å; Y70-H78 AromaticContact CZ-ND1 3.73Å; Y70-H78 VanDerWaalsContact OH-CB 3.27Å; Y70-H78 WeakPolarHBondContact OH-CB 3.4Å; Y70-H78 PolarHBondContact OH-ND1 3.03Å; Y70-W80 HydrophobicContact CD2-CB 4.47Å; Y70-W80 HydrophobicContact CD2-CD2 4.38Å; Y70-W80 AromaticContact CD2-CE3 3.78Å; Y70-W80 HydrophobicContact CD2-CE3 3.78Å; Y70-W80 HydrophobicContact CD2-CZ3 4.45Å; Y70-W80 HydrophobicContact CE2-CD2 4.49Å; Y70-W80 AromaticContact CE2-CE3 3.54Å; Y70-W80 HydrophobicContact CE2-CE3 3.54Å; Y70-W80 AromaticContact CE2-CZ3 3.77Å; Y70-W80 HydrophobicContact CE2-CZ3 3.77Å; Y70-A102 HydrophobicContact CE1-CB 3.7Å; Y70-V105 HydrophobicContact CD2-CB 4.38Å; Y70-V105 HydrophobicContact CD2-CG1 3.66Å; Y70-V105 HydrophobicContact CE2-CB 4.38Å; Y70-V105 HydrophobicContact CE2-CG1 4.1Å; Y70-V105 HydrophobicContact CE2-CG2 4.21Å; Y70-V105 HydrophobicContact CG-CG1 3.91Å
71	H	97.8	Very high	96.8	Very high	86 Å²	86	63.7 Å²	63.7	40%	0.398	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.8	-174.7	-178	-111	0	0	0	111.3	A73 H78 Q79	H71-A73 PolarHBondContact O-N 2.9Å; H71-H78 CarbonylContact O-C 3.55Å; H71-H78 WeakPolarHBondContact O-CA 3.18Å; H71-Q79 HydrophobicContact CB-CG 3.98Å; H71-Q79 PolarHBondContact N-O 2.96Å; H71-Q79 PolarHBondContact O-N 3.43Å
72	Q	98	Very high	96.6	Very high	69 Å²	69	60.1 Å²	60.1	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	88.3	174	-58.8	-174.5	-102	0	0	109	Y70 H78 D99 A102	Y70-Q72 HydrophobicContact CD1-CG 4.36Å; Y70-Q72 HydrophobicContact CE1-CG 4.11Å; Q72-H78 VanDerWaalsContact CA-CD2 3.47Å; Q72-H78 WeakPolarHBondContact CA-CD2 3.28Å; Q72-H78 WeakPolarHBondContact CG-NE2 3.36Å; Q72-H78 PolarHBondContact NE2-CE1 2.74Å; Q72-H78 PolarHBondContact NE2-NE2 2.91Å; Q72-H78 VanDerWaalsContact NE2-NE2 3.14Å; Q72-D99 PolarHBondContact NE2-OD1 3.18Å; Q72-A102 HydrophobicContact CG-CB 4.39Å
73	A	97.3	Very high	96.3	Very high	42 Å²	42	65.2 Å²	65.2	35%	0.347	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-28.6	-173.8	0	0	0	0	0	113.2	H71 F77	H71-A73 PolarHBondContact O-N 2.9Å; A73-F77 WeakPolarHBondContact CA-O 3.41Å; A73-F77 HydrophobicContact CB-CD1 4.09Å; A73-F77 WeakPolarHBondContact CB-O 3.4Å; A73-F77 PolarHBondContact N-O 3.38Å
74	R	97.5	Very high	95.9	Very high	136 Å²	136	70.5 Å²	70.5	51%	0.513	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.1	167.5	-51.6	-176.6	-62.2	-177.6	2.7	108.2	T76 F77 H78 N91	R74-T76 PolarHBondContact O-N 2.98Å; R74-F77 HydrophobicContact CB-CB 3.95Å; R74-F77 HydrophobicContact CG-CB 4.21Å; R74-F77 PolarHBondContact N-O 2.87Å; R74-F77 CarbonylContact O-C 3.58Å; R74-F77 PolarHBondContact O-N 3Å; R74-H78 PolarHBondContact O-CD2 3.02Å; R74-N91 PolarHBondContact NH2-OD1 3.29Å
75	P	98.2	Very high	95.7	Very high	86 Å²	86	76.4 Å²	76.4	56%	0.558	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.2	178.4	-28.3	36.3	0	0	0	115.4	V95 A98	P75-V95 HydrophobicContact CB-CG1 4.05Å; P75-V95 HydrophobicContact CB-CG2 4.11Å; P75-A98 VanDerWaalsContact O-CB 3.23Å; P75-A98 WeakPolarHBondContact O-CB 3.49Å
76	T	98.1	Very high	95.6	Very high	44 Å²	44	76.6 Å²	76.6	27%	0.27	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	7.6	173.9	56.7	0	0	0	0	113.7	R74 N91 F92 V95	R74-T76 PolarHBondContact O-N 2.98Å; T76-N91 CarbonylContact O-C 3.55Å; T76-N91 VanDerWaalsContact O-CA 3.32Å; T76-N91 WeakPolarHBondContact O-CA 3.33Å; T76-F92 PolarHBondContact O-N 2.75Å; T76-V95 HydrophobicContact CG2-CG2 3.68Å
77	F	98.4	Very high	95.9	Very high	19 Å²	19	70.6 Å²	70.6	8%	0.083	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	104.3	-180	-170.1	-108	0	0	0	112.1	W23 A73 R74 L90 N91	W23-F77 AromaticContact CD2-CZ 3.94Å; W23-F77 HydrophobicContact CD2-CZ 3.94Å; W23-F77 AromaticContact CE2-CE1 4Å; W23-F77 AromaticContact CE2-CZ 3.69Å; W23-F77 HydrophobicContact CE3-CZ 4.2Å; W23-F77 HydrophobicContact CH2-CE1 4.37Å; W23-F77 AromaticContact CH2-CZ 3.98Å; W23-F77 HydrophobicContact CH2-CZ 3.98Å; W23-F77 AromaticContact CZ2-CE1 3.83Å; W23-F77 HydrophobicContact CZ2-CE1 3.83Å; W23-F77 AromaticContact CZ2-CZ 3.72Å; W23-F77 HydrophobicContact CZ2-CZ 3.72Å; W23-F77 HydrophobicContact CZ3-CZ 4.22Å; A73-F77 WeakPolarHBondContact CA-O 3.41Å; A73-F77 HydrophobicContact CB-CD1 4.09Å; A73-F77 WeakPolarHBondContact CB-O 3.4Å; A73-F77 PolarHBondContact N-O 3.38Å; R74-F77 HydrophobicContact CB-CB 3.95Å; R74-F77 HydrophobicContact CG-CB 4.21Å; R74-F77 PolarHBondContact N-O 2.87Å; R74-F77 CarbonylContact O-C 3.58Å; R74-F77 PolarHBondContact O-N 3Å; F77-L90 WeakPolarHBondContact CA-O 3.41Å; F77-L90 WeakPolarHBondContact CD2-O 3.48Å; F77-N91 HydrophobicContact CD2-CB 3.81Å; F77-N91 HydrophobicContact CE2-CB 4.29Å
78	H	98.6	Very high	96.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.3	179.1	-53.4	164.1	0	0	0	110.6	Y70 H71 Q72 R74 G89 L90 F92 A98	Y70-H78 HydrophobicContact CE1-CB 3.78Å; Y70-H78 AromaticContact CE1-CG 3.9Å; Y70-H78 AromaticContact CE1-ND1 3.66Å; Y70-H78 HydrophobicContact CE2-CB 4.37Å; Y70-H78 AromaticContact CZ-CG 3.98Å; Y70-H78 AromaticContact CZ-ND1 3.73Å; Y70-H78 VanDerWaalsContact OH-CB 3.27Å; Y70-H78 WeakPolarHBondContact OH-CB 3.4Å; Y70-H78 PolarHBondContact OH-ND1 3.03Å; H71-H78 CarbonylContact O-C 3.55Å; H71-H78 WeakPolarHBondContact O-CA 3.18Å; Q72-H78 VanDerWaalsContact CA-CD2 3.47Å; Q72-H78 WeakPolarHBondContact CA-CD2 3.28Å; Q72-H78 WeakPolarHBondContact CG-NE2 3.36Å; Q72-H78 PolarHBondContact NE2-CE1 2.74Å; Q72-H78 PolarHBondContact NE2-NE2 2.91Å; Q72-H78 VanDerWaalsContact NE2-NE2 3.14Å; R74-H78 PolarHBondContact O-CD2 3.02Å; H78-G89 CarbonylContact O-C 3.57Å; H78-G89 WeakPolarHBondContact O-CA 3.42Å; H78-L90 PolarHBondContact N-O 3.43Å; H78-L90 VanDerWaalsContact N-O 3.09Å; H78-L90 PolarHBondContact O-N 2.78Å; H78-F92 HydrophobicContact CB-CE2 3.96Å; H78-F92 AromaticContact CG-CE2 3.77Å; H78-F92 AromaticContact ND1-CE2 3.5Å; H78-F92 WeakPolarHBondContact ND1-CE2 3.44Å; H78-A98 PolarHBondContact CE1-O 3.08Å
79	Q	98.3	Very high	96.2	Very high	52 Å²	52	67 Å²	67	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.6	-175.4	67.6	-174.2	37.7	0	0	112.5	W23 H71 Y88	W23-Q79 HydrophobicContact CH2-CB 4.1Å; H71-Q79 HydrophobicContact CB-CG 3.98Å; H71-Q79 PolarHBondContact N-O 2.96Å; H71-Q79 PolarHBondContact O-N 3.43Å; Q79-Y88 CarbonylContact C-O 3.55Å; Q79-Y88 WeakPolarHBondContact CA-O 3.47Å; Q79-Y88 WeakPolarHBondContact CB-O 3.23Å
80	W	98.1	Very high	96.4	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.019	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	169.6	171.4	63.7	92.7	0	0	0	110.9	V48 I60 L68 Y70 V87 Y88 L90	V48-W80 HydrophobicContact CB-CZ2 4.38Å; V48-W80 HydrophobicContact CG1-CH2 4.25Å; V48-W80 HydrophobicContact CG1-CZ2 4.26Å; V48-W80 HydrophobicContact CG2-CZ2 4.46Å; I60-W80 HydrophobicContact CD1-CH2 4.26Å; I60-W80 HydrophobicContact CD1-CZ2 3.75Å; L68-W80 HydrophobicContact CD1-CG 4.34Å; L68-W80 HydrophobicContact CD2-CB 3.89Å; L68-W80 HydrophobicContact CD2-CG 4.17Å; L68-W80 HydrophobicContact CG-CB 4.32Å; Y70-W80 HydrophobicContact CD2-CB 4.47Å; Y70-W80 HydrophobicContact CD2-CD2 4.38Å; Y70-W80 AromaticContact CD2-CE3 3.78Å; Y70-W80 HydrophobicContact CD2-CE3 3.78Å; Y70-W80 HydrophobicContact CD2-CZ3 4.45Å; Y70-W80 HydrophobicContact CE2-CD2 4.49Å; Y70-W80 AromaticContact CE2-CE3 3.54Å; Y70-W80 HydrophobicContact CE2-CE3 3.54Å; Y70-W80 AromaticContact CE2-CZ3 3.77Å; Y70-W80 HydrophobicContact CE2-CZ3 3.77Å; W80-V87 WeakPolarHBondContact O-CA 3.45Å; W80-V87 WeakPolarHBondContact O-CG1 3.26Å; W80-Y88 HydrophobicContact CZ2-CG 4.29Å; W80-Y88 PolarHBondContact N-O 2.91Å; W80-Y88 AromaticContact NE1-CD2 3.64Å; W80-Y88 PolarHBondContact O-N 3.41Å; W80-L90 HydrophobicContact CH2-CD1 3.71Å; W80-L90 HydrophobicContact CH2-CD2 4.39Å; W80-L90 HydrophobicContact CH2-CG 3.77Å; W80-L90 HydrophobicContact CZ3-CD1 3.78Å; W80-L90 HydrophobicContact CZ3-CG 3.79Å
81	R	96.8	Very high	96.4	Very high	130 Å²	130	59.6 Å²	59.6	49%	0.491	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.7	169.4	-64.1	-176	-176	-104.1	-3.1	109.7	Q86 V87	R81-Q86 WeakPolarHBondContact CA-O 3.38Å; R81-V87 HydrophobicContact CG-CB 4.41Å; R81-V87 HydrophobicContact CG-CG1 4.05Å; R81-V87 HydrophobicContact CG-CG2 4.13Å; R81-V87 VanDerWaalsContact NH1-CG2 3.33Å
82	D	93.2	Very high	96.4	Very high	24 Å²	24	55.9 Å²	55.9	13%	0.128	27%	0.273	C	S	.	.			trans	-91.3	-176.6	171.3	83	-22.2	0	0	0	112.1	R84 Q85 Q86 Y88	D82-R84 VanDerWaalsContact CG-N 3.32Å; D82-R84 PolarHBondContact O-N 3.33Å; D82-R84 VanDerWaalsContact OD1-C 3.31Å; D82-R84 VanDerWaalsContact OD1-CA 3.31Å; D82-R84 WeakPolarHBondContact OD1-CA 3.23Å; D82-R84 WeakPolarHBondContact OD1-CB 3.33Å; D82-R84 PolarHBondContact OD1-N 2.91Å; D82-R84 WeakPolarHBondContact OD2-CB 3.42Å; D82-R84 WeakPolarHBondContact OD2-CD 3.36Å; D82-R84 WeakPolarHBondContact OD2-CG 3.42Å; D82-Q85 PolarHBondContact O-N 3.36Å; D82-Q85 PolarHBondContact OD1-N 2.94Å; D82-Q85 VanDerWaalsContact OD1-N 3.1Å; D82-Q86 PolarHBondContact N-O 3.16Å; D82-Q86 VanDerWaalsContact N-O 3.1Å; D82-Q86 WeakPolarHBondContact OD1-CB 3.43Å; D82-Q86 PolarHBondContact OD1-N 3.21Å; D82-Y88 HydrophobicContact CB-CE2 4Å
83	S	88.2	Confident	96.4	Very high	112 Å²	112	56 Å²	56	78%	0.783	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.1	175.8	52.2	0	0	0	0	114.2
84	R	89.7	Confident	96.4	Very high	185 Å²	185	55.7 Å²	55.7	70%	0.698	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7.2	177.8	-51.7	172.4	68.4	-147.2	2.9	112.2	D82 Q86	D82-R84 VanDerWaalsContact CG-N 3.32Å; D82-R84 PolarHBondContact O-N 3.33Å; D82-R84 VanDerWaalsContact OD1-C 3.31Å; D82-R84 VanDerWaalsContact OD1-CA 3.31Å; D82-R84 WeakPolarHBondContact OD1-CA 3.23Å; D82-R84 WeakPolarHBondContact OD1-CB 3.33Å; D82-R84 PolarHBondContact OD1-N 2.91Å; D82-R84 WeakPolarHBondContact OD2-CB 3.42Å; D82-R84 WeakPolarHBondContact OD2-CD 3.36Å; D82-R84 WeakPolarHBondContact OD2-CG 3.42Å; R84-Q86 PolarHBondContact O-N 3.5Å
85	Q	91.2	Very high	96.4	Very high	132 Å²	132	51.8 Å²	51.8	62%	0.617	27%	0.266	S	S	*	.			trans	64.1	10.2	-173	-57.4	-63.4	-25.4	0	0	114.9	D82 V87	D82-Q85 PolarHBondContact O-N 3.36Å; D82-Q85 PolarHBondContact OD1-N 2.94Å; D82-Q85 VanDerWaalsContact OD1-N 3.1Å; Q85-V87 PolarHBondContact O-N 2.91Å
86	Q	94.2	Very high	96.4	Very high	57 Å²	57	54.3 Å²	54.3	27%	0.266	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-71.6	126.7	174.3	-174.1	166.2	-9.8	0	0	108.9	L15 R81 D82 R84 Y88	L15-Q86 HydrophobicContact CD2-CG 4.38Å; R81-Q86 WeakPolarHBondContact CA-O 3.38Å; D82-Q86 PolarHBondContact N-O 3.16Å; D82-Q86 VanDerWaalsContact N-O 3.1Å; D82-Q86 WeakPolarHBondContact OD1-CB 3.43Å; D82-Q86 PolarHBondContact OD1-N 3.21Å; R84-Q86 PolarHBondContact O-N 3.5Å; Q86-Y88 HydrophobicContact CB-CE2 4.1Å; Q86-Y88 VanDerWaalsContact CD-OH 3.31Å; Q86-Y88 HydrophobicContact CG-CE1 4.38Å; Q86-Y88 HydrophobicContact CG-CE2 3.93Å; Q86-Y88 PolarHBondContact NE2-OH 3.39Å; Q86-Y88 PolarHBondContact OE1-OH 2.88Å
87	V	97.5	Very high	96.4	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.6	176.4	-153.3	0	0	0	0	109	L15 Y16 W23 W80 R81 Q85	L15-V87 WeakPolarHBondContact CA-O 3.48Å; Y16-V87 HydrophobicContact CD1-CG2 4.32Å; Y16-V87 HydrophobicContact CG-CG2 4.47Å; Y16-V87 PolarHBondContact N-O 2.64Å; Y16-V87 VanDerWaalsContact N-O 3.16Å; W23-V87 HydrophobicContact CH2-CB 4.42Å; W23-V87 HydrophobicContact CH2-CG1 3.86Å; W23-V87 HydrophobicContact CZ3-CG1 4.47Å; W80-V87 WeakPolarHBondContact O-CA 3.45Å; W80-V87 WeakPolarHBondContact O-CG1 3.26Å; R81-V87 HydrophobicContact CG-CB 4.41Å; R81-V87 HydrophobicContact CG-CG1 4.05Å; R81-V87 HydrophobicContact CG-CG2 4.13Å; R81-V87 VanDerWaalsContact NH1-CG2 3.33Å; Q85-V87 PolarHBondContact O-N 2.91Å
88	Y	98.1	Very high	96.4	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	172.3	-63.9	-85.2	0	0	0	109.3	L15 I60 C62 Q79 W80 D82 Q86	L15-Y88 HydrophobicContact CD2-CD1 3.39Å; L15-Y88 HydrophobicContact CD2-CE1 3.49Å; L15-Y88 VanDerWaalsContact CD2-CE1 3.49Å; L15-Y88 HydrophobicContact CD2-CG 4.3Å; I60-Y88 HydrophobicContact CD1-CD1 3.38Å; I60-Y88 HydrophobicContact CD1-CE1 3.84Å; I60-Y88 HydrophobicContact CD1-CG 3.89Å; I60-Y88 HydrophobicContact CG1-CD1 3.97Å; I60-Y88 HydrophobicContact CG1-CE1 3.9Å; C62-Y88 HydrophobicContact CB-CE2 4.27Å; Q79-Y88 CarbonylContact C-O 3.55Å; Q79-Y88 WeakPolarHBondContact CA-O 3.47Å; Q79-Y88 WeakPolarHBondContact CB-O 3.23Å; W80-Y88 HydrophobicContact CZ2-CG 4.29Å; W80-Y88 PolarHBondContact N-O 2.91Å; W80-Y88 AromaticContact NE1-CD2 3.64Å; W80-Y88 PolarHBondContact O-N 3.41Å; D82-Y88 HydrophobicContact CB-CE2 4Å; Q86-Y88 HydrophobicContact CB-CE2 4.1Å; Q86-Y88 VanDerWaalsContact CD-OH 3.31Å; Q86-Y88 HydrophobicContact CG-CE1 4.38Å; Q86-Y88 HydrophobicContact CG-CE2 3.93Å; Q86-Y88 PolarHBondContact NE2-OH 3.39Å; Q86-Y88 PolarHBondContact OE1-OH 2.88Å
89	G	98	Very high	96.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.5	172.6	0	0	0	0	0	110.5	M14 H78	M14-G89 PolarHBondContact N-O 3.25Å; M14-G89 PolarHBondContact O-N 3.36Å; H78-G89 CarbonylContact O-C 3.57Å; H78-G89 WeakPolarHBondContact O-CA 3.42Å
90	L	98.5	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.4	172.8	-65.6	-176.2	0	0	0	108.7	A11 V13 V35 F77 H78 W80 F92 F101	A11-L90 HydrophobicContact CB-CB 4.06Å; A11-L90 HydrophobicContact CB-CD2 4.25Å; V13-L90 HydrophobicContact CB-CD2 4.31Å; V13-L90 HydrophobicContact CG1-CD2 4.26Å; V13-L90 HydrophobicContact CG2-CD2 3.8Å; V35-L90 HydrophobicContact CG1-CD1 4.12Å; V35-L90 HydrophobicContact CG1-CD2 4.44Å; V35-L90 HydrophobicContact CG2-CD2 4.16Å; F77-L90 WeakPolarHBondContact CA-O 3.41Å; F77-L90 WeakPolarHBondContact CD2-O 3.48Å; H78-L90 PolarHBondContact N-O 3.43Å; H78-L90 VanDerWaalsContact N-O 3.09Å; H78-L90 PolarHBondContact O-N 2.78Å; W80-L90 HydrophobicContact CH2-CD1 3.71Å; W80-L90 HydrophobicContact CH2-CD2 4.39Å; W80-L90 HydrophobicContact CH2-CG 3.77Å; W80-L90 HydrophobicContact CZ3-CD1 3.78Å; W80-L90 HydrophobicContact CZ3-CG 3.79Å; L90-F92 HydrophobicContact CB-CD2 4.14Å; L90-F92 HydrophobicContact CB-CE1 4.48Å; L90-F92 HydrophobicContact CB-CE2 3.57Å; L90-F92 HydrophobicContact CB-CZ 3.77Å; L90-F92 HydrophobicContact CD1-CE1 4.17Å; L90-F92 HydrophobicContact CD1-CE2 4.25Å; L90-F92 HydrophobicContact CD1-CZ 3.6Å; L90-F92 HydrophobicContact CG-CZ 4.36Å; L90-F101 HydrophobicContact CD1-CD1 4.39Å; L90-F101 HydrophobicContact CD1-CE1 3.86Å; L90-F101 HydrophobicContact CD1-CZ 4.14Å
91	N	98	Very high	96.5	Very high	49 Å²	49	57.2 Å²	57.2	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	95.7	171.4	-167	76.6	0	0	0	109.1	A11 N12 R74 T76 F77	A11-N91 CarbonylContact C-O 3.54Å; A11-N91 VanDerWaalsContact CA-O 3.26Å; A11-N91 WeakPolarHBondContact CA-O 3.31Å; N12-N91 HydrophobicContact CB-CB 4.33Å; N12-N91 PolarHBondContact N-O 2.96Å; N12-N91 PolarHBondContact O-N 3.44Å; R74-N91 PolarHBondContact NH2-OD1 3.29Å; T76-N91 CarbonylContact O-C 3.55Å; T76-N91 VanDerWaalsContact O-CA 3.32Å; T76-N91 WeakPolarHBondContact O-CA 3.33Å; F77-N91 HydrophobicContact CD2-CB 3.81Å; F77-N91 HydrophobicContact CE2-CB 4.29Å
92	F	98.6	Very high	96.5	Very high	7 Å²	7	51 Å²	51	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	156.1	-171.4	-67	-90.1	0	0	0	113.4	A9 K10 A11 T76 H78 L90 A98 F101	A9-F92 HydrophobicContact CB-CD1 3.85Å; A9-F92 HydrophobicContact CB-CE1 3.69Å; K10-F92 CarbonylContact O-C 3.6Å; K10-F92 WeakPolarHBondContact O-CA 3.3Å; A11-F92 HydrophobicContact CB-CD1 4.04Å; A11-F92 HydrophobicContact CB-CE1 4.43Å; A11-F92 HydrophobicContact CB-CG 4.27Å; T76-F92 PolarHBondContact O-N 2.75Å; H78-F92 HydrophobicContact CB-CE2 3.96Å; H78-F92 AromaticContact CG-CE2 3.77Å; H78-F92 AromaticContact ND1-CE2 3.5Å; H78-F92 WeakPolarHBondContact ND1-CE2 3.44Å; L90-F92 HydrophobicContact CB-CD2 4.14Å; L90-F92 HydrophobicContact CB-CE1 4.48Å; L90-F92 HydrophobicContact CB-CE2 3.57Å; L90-F92 HydrophobicContact CB-CZ 3.77Å; L90-F92 HydrophobicContact CD1-CE1 4.17Å; L90-F92 HydrophobicContact CD1-CE2 4.25Å; L90-F92 HydrophobicContact CD1-CZ 3.6Å; L90-F92 HydrophobicContact CG-CZ 4.36Å; F92-A98 HydrophobicContact CB-CB 3.79Å; F92-A98 HydrophobicContact CD1-CB 4.1Å; F92-A98 HydrophobicContact CD2-CB 3.5Å; F92-A98 VanDerWaalsContact CD2-CB 3.5Å; F92-A98 HydrophobicContact CE2-CB 4.04Å; F92-A98 HydrophobicContact CG-CB 3.53Å; F92-F101 HydrophobicContact CE1-CB 3.88Å; F92-F101 HydrophobicContact CE1-CD1 4.26Å; F92-F101 AromaticContact CE1-CG 3.98Å; F92-F101 HydrophobicContact CE1-CG 3.98Å; F92-F101 HydrophobicContact CZ-CB 4.11Å; F92-F101 AromaticContact CZ-CD1 3.9Å; F92-F101 HydrophobicContact CZ-CD1 3.9Å; F92-F101 HydrophobicContact CZ-CG 4.08Å
93	T	97.5	Very high	96.8	Very high	73 Å²	73	52.5 Å²	52.5	45%	0.448	29%	0.286	S	S	.	.	S	Bend	trans	-81.3	-21.7	177.7	70.3	0	0	0	0	114.1	K10 I32 E97	K10-T93 HydrophobicContact CB-CG2 3.67Å; K10-T93 PolarHBondContact O-N 2.91Å; I32-T93 HydrophobicContact CD1-CG2 3.7Å; I32-T93 HydrophobicContact CG1-CG2 4.35Å; I32-T93 HydrophobicContact CG2-CG2 3.99Å; T93-E97 PolarHBondContact OG1-OE2 3.02Å
94	S	97.7	Very high	97.3	Very high	34 Å²	34	48.1 Å²	48.1	24%	0.238	26%	0.256	C	S	.	.			trans	-142.8	162.8	175.4	105.6	0	0	0	0	110.7	E96 E97 A98	S94-E96 WeakPolarHBondContact CB-OE2 3.33Å; S94-E96 PolarHBondContact OG-N 3.35Å; S94-E96 PolarHBondContact OG-OE2 2.89Å; S94-E97 PolarHBondContact OG-N 3.17Å; S94-A98 PolarHBondContact O-N 3.49Å
95	V	98.4	Very high	97.7	Very high	55 Å²	55	39.3 Å²	39.3	33%	0.333	22%	0.223	S	C	.	.	H	α-helix	trans	-74.9	-36.4	176.8	179.7	0	0	0	0	110.2	P75 T76 A98 D99	P75-V95 HydrophobicContact CB-CG1 4.05Å; P75-V95 HydrophobicContact CB-CG2 4.11Å; T76-V95 HydrophobicContact CG2-CG2 3.68Å; V95-A98 WeakPolarHBondContact O-CB 3.39Å; V95-A98 PolarHBondContact O-N 3.35Å; V95-A98 VanDerWaalsContact O-N 3.1Å; V95-D99 PolarHBondContact O-N 3.47Å
96	E	98.5	Very high	98	Very high	138 Å²	138	37.5 Å²	37.5	65%	0.645	21%	0.213	S	C	*	.	H	α-helix	trans	-63.5	-43.7	179.3	-50.9	74.9	-165.6	0	0	111.2	S94 A98 A100	S94-E96 WeakPolarHBondContact CB-OE2 3.33Å; S94-E96 PolarHBondContact OG-N 3.35Å; S94-E96 PolarHBondContact OG-OE2 2.89Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.28Å; E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 3.06Å
97	E	97.8	Very high	98.1	Very high	42 Å²	42	37.8 Å²	37.8	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-39.9	171.1	-76.7	-166.5	140.9	0	0	111.9	A9 K10 T93 S94 F101	A9-E97 HydrophobicContact CB-CB 4.01Å; A9-E97 HydrophobicContact CB-CG 4.5Å; K10-E97 WeakPolarHBondContact CB-OE2 3.42Å; K10-E97 VanDerWaalsContact N-CD 3.26Å; K10-E97 PolarHBondContact N-OE1 3.35Å; K10-E97 VanDerWaalsContact N-OE1 3.09Å; K10-E97 PolarHBondContact N-OE2 2.97Å; T93-E97 PolarHBondContact OG1-OE2 3.02Å; S94-E97 PolarHBondContact OG-N 3.17Å; E97-F101 VanDerWaalsContact O-CB 3.23Å; E97-F101 WeakPolarHBondContact O-CB 3.28Å; E97-F101 PolarHBondContact O-N 3.41Å
98	A	98.5	Very high	98.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-48.6	-178.4	0	0	0	0	0	111.8	P75 H78 F92 S94 V95 E96 F101 A102	P75-A98 VanDerWaalsContact O-CB 3.23Å; P75-A98 WeakPolarHBondContact O-CB 3.49Å; H78-A98 PolarHBondContact CE1-O 3.08Å; F92-A98 HydrophobicContact CB-CB 3.79Å; F92-A98 HydrophobicContact CD1-CB 4.1Å; F92-A98 HydrophobicContact CD2-CB 3.5Å; F92-A98 VanDerWaalsContact CD2-CB 3.5Å; F92-A98 HydrophobicContact CE2-CB 4.04Å; F92-A98 HydrophobicContact CG-CB 3.53Å; S94-A98 PolarHBondContact O-N 3.49Å; V95-A98 WeakPolarHBondContact O-CB 3.39Å; V95-A98 PolarHBondContact O-N 3.35Å; V95-A98 VanDerWaalsContact O-N 3.1Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.28Å; A98-F101 PolarHBondContact O-N 3.43Å; A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.31Å; A98-A102 PolarHBondContact O-N 2.87Å
99	D	98.4	Very high	98.1	Very high	77 Å²	77	38.1 Å²	38.1	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-71.3	-38.1	-179.8	-86.2	-36.7	0	0	0	112.3	Q72 V95 F101 A102 A103	Q72-D99 PolarHBondContact NE2-OD1 3.18Å; V95-D99 PolarHBondContact O-N 3.47Å; D99-F101 PolarHBondContact O-N 2.69Å; D99-A102 PolarHBondContact O-N 2.7Å; D99-A103 WeakPolarHBondContact O-CB 3.31Å; D99-A103 PolarHBondContact O-N 3Å
100	A	98.2	Very high	98	Very high	61 Å²	61	42.7 Å²	42.7	50%	0.504	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-43.6	172.6	0	0	0	0	0	111.7	E96 A103 A104	E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 3.06Å; A100-A103 PolarHBondContact O-N 3.43Å; A100-A104 PolarHBondContact O-N 2.9Å; A100-A104 VanDerWaalsContact O-N 3.12Å
101	F	98.7	Very high	97.9	Very high	1 Å²	1	45 Å²	45	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-41	175.1	-167.6	-83.9	0	0	0	111.7	A7 A9 V35 L37 V48 L90 F92 E97 A98 D99 A104 V105	A7-F101 HydrophobicContact CB-CD2 4.27Å; A9-F101 HydrophobicContact CB-CB 4.25Å; A9-F101 HydrophobicContact CB-CD2 3.96Å; A9-F101 HydrophobicContact CB-CG 4.42Å; V35-F101 HydrophobicContact CB-CE2 4.5Å; V35-F101 HydrophobicContact CG1-CE2 3.92Å; V35-F101 HydrophobicContact CG1-CZ 3.9Å; L37-F101 HydrophobicContact CB-CE2 4.28Å; L37-F101 HydrophobicContact CB-CZ 4.41Å; V48-F101 HydrophobicContact CG1-CZ 4.06Å; V48-F101 HydrophobicContact CG2-CE1 4.39Å; V48-F101 HydrophobicContact CG2-CZ 3.92Å; L90-F101 HydrophobicContact CD1-CD1 4.39Å; L90-F101 HydrophobicContact CD1-CE1 3.86Å; L90-F101 HydrophobicContact CD1-CZ 4.14Å; F92-F101 HydrophobicContact CE1-CB 3.88Å; F92-F101 HydrophobicContact CE1-CD1 4.26Å; F92-F101 AromaticContact CE1-CG 3.98Å; F92-F101 HydrophobicContact CE1-CG 3.98Å; F92-F101 HydrophobicContact CZ-CB 4.11Å; F92-F101 AromaticContact CZ-CD1 3.9Å; F92-F101 HydrophobicContact CZ-CD1 3.9Å; F92-F101 HydrophobicContact CZ-CG 4.08Å; E97-F101 VanDerWaalsContact O-CB 3.23Å; E97-F101 WeakPolarHBondContact O-CB 3.28Å; E97-F101 PolarHBondContact O-N 3.41Å; A98-F101 PolarHBondContact O-N 3.43Å; D99-F101 PolarHBondContact O-N 2.69Å; F101-A104 PolarHBondContact O-N 3.34Å; F101-V105 HydrophobicContact CD1-CG2 3.9Å; F101-V105 HydrophobicContact CE1-CG2 3.67Å; F101-V105 HydrophobicContact CZ-CG2 4.47Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.11Å
102	A	98.4	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-38.2	177.2	0	0	0	0	0	112.7	Y70 Q72 A98 D99 V105 K106	Y70-A102 HydrophobicContact CE1-CB 3.7Å; Q72-A102 HydrophobicContact CG-CB 4.39Å; A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.31Å; A98-A102 PolarHBondContact O-N 2.87Å; D99-A102 PolarHBondContact O-N 2.7Å; A102-V105 PolarHBondContact O-N 3.46Å; A102-K106 WeakPolarHBondContact O-CB 3.46Å; A102-K106 WeakPolarHBondContact O-CD 3.48Å; A102-K106 WeakPolarHBondContact O-CG 3.48Å; A102-K106 PolarHBondContact O-N 3.13Å
103	A	98.3	Very high	97.7	Very high	55 Å²	55	45.8 Å²	45.8	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-45	174.3	0	0	0	0	0	111.4	D99 A100 K106 S107	D99-A103 WeakPolarHBondContact O-CB 3.31Å; D99-A103 PolarHBondContact O-N 3Å; A100-A103 PolarHBondContact O-N 3.43Å; A103-K106 PolarHBondContact O-N 2.87Å; A103-S107 PolarHBondContact O-N 3.39Å
104	A	98.3	Very high	97.6	Very high	20 Å²	20	44.7 Å²	44.7	17%	0.165	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-38.9	176	0	0	0	0	0	112.9	A7 L37 A100 F101 S107 A108	A7-A104 HydrophobicContact CB-CB 3.48Å; A7-A104 VanDerWaalsContact CB-CB 3.48Å; L37-A104 HydrophobicContact CD2-CB 4.01Å; A100-A104 PolarHBondContact O-N 2.9Å; A100-A104 VanDerWaalsContact O-N 3.12Å; F101-A104 PolarHBondContact O-N 3.34Å; A104-S107 PolarHBondContact O-N 3.36Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.46Å
105	V	98.3	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-40.7	173.7	173.5	0	0	0	0	111.6	L37 Y70 F101 A102 A108 L109	L37-V105 HydrophobicContact CD2-CG2 3.92Å; Y70-V105 HydrophobicContact CD2-CB 4.38Å; Y70-V105 HydrophobicContact CD2-CG1 3.66Å; Y70-V105 HydrophobicContact CE2-CB 4.38Å; Y70-V105 HydrophobicContact CE2-CG1 4.1Å; Y70-V105 HydrophobicContact CE2-CG2 4.21Å; Y70-V105 HydrophobicContact CG-CG1 3.91Å; F101-V105 HydrophobicContact CD1-CG2 3.9Å; F101-V105 HydrophobicContact CE1-CG2 3.67Å; F101-V105 HydrophobicContact CZ-CG2 4.47Å; F101-V105 WeakPolarHBondContact O-CG2 3.48Å; F101-V105 PolarHBondContact O-N 3.11Å; A102-V105 PolarHBondContact O-N 3.46Å; V105-A108 PolarHBondContact O-N 3.38Å; V105-L109 HydrophobicContact CG1-CD1 3.98Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.45Å
106	K	97.6	Very high	97.1	Very high	95 Å²	95	46 Å²	46	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-50.4	174.4	-71.8	162.7	-171.5	171.3	0	110.7	A102 A103 A108 L109 E110	A102-K106 WeakPolarHBondContact O-CB 3.46Å; A102-K106 WeakPolarHBondContact O-CD 3.48Å; A102-K106 WeakPolarHBondContact O-CG 3.48Å; A102-K106 PolarHBondContact O-N 3.13Å; A103-K106 PolarHBondContact O-N 2.87Å; K106-A108 PolarHBondContact O-N 2.88Å; K106-L109 PolarHBondContact O-N 3.47Å; K106-L109 VanDerWaalsContact O-N 3.15Å; K106-E110 WeakPolarHBondContact O-CG 3.45Å; K106-E110 PolarHBondContact O-N 3.3Å
107	S	97.5	Very high	96.8	Very high	63 Å²	63	42.9 Å²	42.9	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-43.3	177	180	0	0	0	0	112.5	A103 A104 L109 E110 S111	A103-S107 PolarHBondContact O-N 3.39Å; A104-S107 PolarHBondContact O-N 3.36Å; S107-L109 VanDerWaalsContact C-N 3.35Å; S107-L109 PolarHBondContact O-N 3.44Å; S107-E110 PolarHBondContact O-N 3.43Å; S107-S111 PolarHBondContact O-N 3Å; S107-S111 PolarHBondContact O-OG 3.04Å; S107-S111 VanDerWaalsContact O-OG 3.09Å
108	A	97.9	Very high	96.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-41.6	175.1	0	0	0	0	0	112.9	L37 Y46 A104 V105 K106 E110 S111 L112	L37-A108 HydrophobicContact CD2-CB 4.15Å; Y46-A108 HydrophobicContact CD1-CB 3.42Å; Y46-A108 VanDerWaalsContact CD1-CB 3.42Å; Y46-A108 HydrophobicContact CD2-CB 4.08Å; Y46-A108 HydrophobicContact CE1-CB 3.43Å; Y46-A108 VanDerWaalsContact CE1-CB 3.43Å; Y46-A108 HydrophobicContact CE2-CB 4.11Å; Y46-A108 HydrophobicContact CG-CB 3.73Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.46Å; V105-A108 PolarHBondContact O-N 3.38Å; K106-A108 PolarHBondContact O-N 2.88Å; A108-E110 VanDerWaalsContact C-N 3.35Å; A108-S111 PolarHBondContact O-N 3.35Å; A108-L112 VanDerWaalsContact O-CB 3.29Å; A108-L112 WeakPolarHBondContact O-CB 3.42Å; A108-L112 WeakPolarHBondContact O-CD1 3.33Å; A108-L112 VanDerWaalsContact O-CG 3.22Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.19Å
109	L	97.4	Very high	96.1	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-35	176.6	-69.3	166.9	0	0	0	112.2	I64 L68 V105 K106 S107 A113	I64-L109 HydrophobicContact CG2-CD2 3.72Å; I64-L109 HydrophobicContact CG2-CG 4.32Å; L68-L109 HydrophobicContact CB-CD2 4.01Å; L68-L109 HydrophobicContact CD2-CD1 4.42Å; L68-L109 WeakPolarHBondContact O-CD1 3.41Å; V105-L109 HydrophobicContact CG1-CD1 3.98Å; V105-L109 HydrophobicContact CG1-CG 4.46Å; V105-L109 VanDerWaalsContact O-CG 3.28Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.45Å; K106-L109 PolarHBondContact O-N 3.47Å; K106-L109 VanDerWaalsContact O-N 3.15Å; S107-L109 VanDerWaalsContact C-N 3.35Å; S107-L109 PolarHBondContact O-N 3.44Å; L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.03Å
110	E	96.7	Very high	95.6	Very high	95 Å²	95	49.2 Å²	49.2	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-45.1	174	-69.7	179	134.6	0	0	112	K106 S107 A108 L112 A113 A114 Y387	K106-E110 WeakPolarHBondContact O-CG 3.45Å; K106-E110 PolarHBondContact O-N 3.3Å; S107-E110 PolarHBondContact O-N 3.43Å; A108-E110 VanDerWaalsContact C-N 3.35Å; E110-L112 PolarHBondContact O-N 3.09Å; E110-A113 WeakPolarHBondContact O-CB 3.28Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-A113 VanDerWaalsContact O-N 3.12Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 2.91Å; E110-Y387 PolarHBondContact OE1-OH 3.29Å; E110-Y387 VanDerWaalsContact OE1-OH 3.05Å
111	S	96.1	Very high	95.1	Very high	50 Å²	50	51 Å²	51	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-45.2	174.1	-58.8	0	0	0	0	111.8	S107 A108 A113 A114 L115	S107-S111 PolarHBondContact O-N 3Å; S107-S111 PolarHBondContact O-OG 3.04Å; S107-S111 VanDerWaalsContact O-OG 3.09Å; A108-S111 PolarHBondContact O-N 3.35Å; S111-A113 VanDerWaalsContact C-N 3.29Å; S111-A113 PolarHBondContact O-N 3.43Å; S111-A114 PolarHBondContact O-N 3.44Å; S111-L115 WeakPolarHBondContact O-CB 3.22Å; S111-L115 PolarHBondContact O-N 3.29Å
112	L	96.2	Very high	94.3	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-34.6	174.1	-78.5	170.1	0	0	0	112.8	N44 Y46 I64 R66 A108 E110	N44-L112 VanDerWaalsContact O-CD2 3.28Å; N44-L112 WeakPolarHBondContact O-CD2 3.41Å; Y46-L112 HydrophobicContact CD2-CD1 3.85Å; Y46-L112 HydrophobicContact CD2-CD2 4.07Å; Y46-L112 HydrophobicContact CD2-CG 3.74Å; Y46-L112 HydrophobicContact CE2-CG 4.06Å; I64-L112 HydrophobicContact CG2-CD1 4.2Å; I64-L112 WeakPolarHBondContact O-CD1 3.5Å; R66-L112 VanDerWaalsContact CD-O 3.31Å; R66-L112 WeakPolarHBondContact CD-O 3.36Å; R66-L112 HydrophobicContact CG-CB 3.77Å; R66-L112 WeakPolarHBondContact CG-O 3.46Å; A108-L112 VanDerWaalsContact O-CB 3.29Å; A108-L112 WeakPolarHBondContact O-CB 3.42Å; A108-L112 WeakPolarHBondContact O-CD1 3.33Å; A108-L112 VanDerWaalsContact O-CG 3.22Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.19Å; E110-L112 PolarHBondContact O-N 3.09Å
113	A	95.6	Very high	93.5	Very high	56 Å²	56	59.7 Å²	59.7	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-73.3	-40.9	175.5	0	0	0	0	0	112.2	L109 E110 S111 H116 C117	L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.03Å; E110-A113 WeakPolarHBondContact O-CB 3.28Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-A113 VanDerWaalsContact O-N 3.12Å; S111-A113 VanDerWaalsContact C-N 3.29Å; S111-A113 PolarHBondContact O-N 3.43Å; A113-H116 PolarHBondContact O-N 3.14Å; A113-C117 PolarHBondContact O-N 3.25Å; A113-C117 VanDerWaalsContact O-N 3.15Å
114	A	94.6	Very high	91.9	Very high	50 Å²	50	63.7 Å²	63.7	41%	0.413	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-45.8	177.6	0	0	0	0	0	112	E110 S111 H116 C117 Q118	E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 2.91Å; S111-A114 PolarHBondContact O-N 3.44Å; A114-H116 VanDerWaalsContact C-N 3.29Å; A114-H116 PolarHBondContact O-N 3.42Å; A114-C117 VanDerWaalsContact O-CB 3.31Å; A114-C117 WeakPolarHBondContact O-CB 3.5Å; A114-C117 PolarHBondContact O-N 3.46Å; A114-C117 VanDerWaalsContact O-N 3.08Å; A114-Q118 PolarHBondContact O-N 3.36Å
115	L	93.3	Very high	90	Very high	43 Å²	43	69.6 Å²	69.6	23%	0.225	38%	0.384	C	S	.	.	H	α-helix	trans	-55	-43.6	175.9	179.4	70.3	0	0	0	112.1	N44 S111 Q118 Q119	N44-L115 HydrophobicContact CB-CD2 3.53Å; S111-L115 WeakPolarHBondContact O-CB 3.22Å; S111-L115 PolarHBondContact O-N 3.29Å; L115-Q118 WeakPolarHBondContact O-CB 3.48Å; L115-Q118 PolarHBondContact O-N 2.75Å; L115-Q119 WeakPolarHBondContact O-CG 3.29Å; L115-Q119 PolarHBondContact O-N 3.01Å
116	H	92.3	Very high	88	Confident	73 Å²	73	77.4 Å²	77.4	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-70.3	-32.3	178.6	-176.9	65.5	0	0	0	113.2	R66 A113 A114 Q118 Q119 A120	R66-H116 VanDerWaalsContact NE-CB 3.33Å; R66-H116 PolarHBondContact NH1-CE1 2.91Å; R66-H116 VanDerWaalsContact NH1-CG 3.28Å; R66-H116 PolarHBondContact NH1-ND1 2.95Å; R66-H116 PolarHBondContact NH2-CD2 3.46Å; R66-H116 PolarHBondContact NH2-NE2 3.2Å; A113-H116 PolarHBondContact O-N 3.14Å; A114-H116 VanDerWaalsContact C-N 3.29Å; A114-H116 PolarHBondContact O-N 3.42Å; H116-Q118 VanDerWaalsContact C-N 3.33Å; H116-Q119 PolarHBondContact O-N 3.31Å; H116-A120 WeakPolarHBondContact O-CB 3.31Å; H116-A120 PolarHBondContact O-N 2.89Å
117	C	92.6	Very high	85.8	Confident	74 Å²	74	81 Å²	81	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-44.6	172.2	-165.5	0	0	0	0	110.6	A113 A114 A120 L121	A113-C117 PolarHBondContact O-N 3.25Å; A113-C117 VanDerWaalsContact O-N 3.15Å; A114-C117 VanDerWaalsContact O-CB 3.31Å; A114-C117 WeakPolarHBondContact O-CB 3.5Å; A114-C117 PolarHBondContact O-N 3.46Å; A114-C117 VanDerWaalsContact O-N 3.08Å; C117-A120 PolarHBondContact O-N 2.83Å; C117-L121 WeakPolarHBondContact O-CG 3.43Å; C117-L121 PolarHBondContact O-N 3.37Å; C117-L121 VanDerWaalsContact O-N 3.07Å
118	Q	91.1	Very high	83.4	Confident	116 Å²	116	86.5 Å²	86.5	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.2	-65.4	168.8	-9.1	0	0	112	A114 L115 H116 A120 L121 Q122	A114-Q118 PolarHBondContact O-N 3.36Å; L115-Q118 WeakPolarHBondContact O-CB 3.48Å; L115-Q118 PolarHBondContact O-N 2.75Å; H116-Q118 VanDerWaalsContact C-N 3.33Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.45Å; Q118-L121 PolarHBondContact O-N 2.85Å; Q118-Q122 WeakPolarHBondContact O-CG 3.4Å; Q118-Q122 PolarHBondContact O-N 2.99Å; Q118-Q122 VanDerWaalsContact O-N 3.11Å
119	Q	89.8	Confident	80.5	Confident	94 Å²	94	92.2 Å²	92.2	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-40.7	175.7	-70.9	168	-8.8	0	0	112.5	L115 H116 Q122 A123	L115-Q119 WeakPolarHBondContact O-CG 3.29Å; L115-Q119 PolarHBondContact O-N 3.01Å; H116-Q119 PolarHBondContact O-N 3.31Å; Q119-Q122 PolarHBondContact O-N 3.31Å; Q119-A123 PolarHBondContact O-N 2.98Å; Q119-A123 VanDerWaalsContact O-N 3.12Å
120	A	89.3	Confident	78.2	Confident	42 Å²	42	99.8 Å²	99.8	35%	0.347	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-37.9	177.9	0	0	0	0	0	112.6	H116 C117 Q118 Q122 A123 Q124	H116-A120 WeakPolarHBondContact O-CB 3.31Å; H116-A120 PolarHBondContact O-N 2.89Å; C117-A120 PolarHBondContact O-N 2.83Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.45Å; A120-Q122 VanDerWaalsContact C-N 3.33Å; A120-A123 PolarHBondContact O-N 2.85Å; A120-Q124 PolarHBondContact O-N 3.06Å
121	L	86.6	Confident	75.8	Confident	97 Å²	97	100.5 Å²	100.5	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-30.2	176.2	-69.3	167.4	0	0	0	112.9	C117 Q118 Q125	C117-L121 WeakPolarHBondContact O-CG 3.43Å; C117-L121 PolarHBondContact O-N 3.37Å; C117-L121 VanDerWaalsContact O-N 3.07Å; Q118-L121 PolarHBondContact O-N 2.85Å; L121-Q125 PolarHBondContact O-NE2 3.11Å
122	Q	83	Confident	73.5	Confident	126 Å²	126	103.6 Å²	103.6	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-71.9	-39.3	172.3	-70.4	172.5	-5.9	0	0	111.7	Q118 Q119 A120 Q124 Q125	Q118-Q122 WeakPolarHBondContact O-CG 3.4Å; Q118-Q122 PolarHBondContact O-N 2.99Å; Q118-Q122 VanDerWaalsContact O-N 3.11Å; Q119-Q122 PolarHBondContact O-N 3.31Å; A120-Q122 VanDerWaalsContact C-N 3.33Å; Q122-Q124 PolarHBondContact O-N 3.28Å; Q122-Q125 PolarHBondContact O-N 3.3Å
123	A	80.3	Confident	71	Confident	58 Å²	58	108.3 Å²	108.3	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-64.3	-36.4	179.6	0	0	0	0	0	113.4	Q119 A120 Q126	Q119-A123 PolarHBondContact O-N 2.98Å; Q119-A123 VanDerWaalsContact O-N 3.12Å; A120-A123 PolarHBondContact O-N 2.85Å; A123-Q126 PolarHBondContact O-N 3.12Å
124	Q	65.8	Low	68.7	Low	139 Å²	139	111.2 Å²	111.2	65%	0.65	60%	0.6	S	S	*	*	H	α-helix	trans	-67.8	-34.6	179.9	-71.6	-175	-2	0	0	113.1	A120 Q122 Q126 Q127	A120-Q124 PolarHBondContact O-N 3.06Å; Q122-Q124 PolarHBondContact O-N 3.28Å; Q124-Q126 PolarHBondContact O-N 2.94Å; Q124-Q127 PolarHBondContact O-N 3.42Å; Q124-Q127 VanDerWaalsContact O-N 3.14Å
125	Q	58.3	Low	66.1	Low	144 Å²	144	118.5 Å²	118.5	67%	0.673	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-24.6	179.8	-73.4	170.9	80.1	0	0	113	L121 Q122 Q127	L121-Q125 PolarHBondContact O-NE2 3.11Å; Q122-Q125 PolarHBondContact O-N 3.3Å; Q125-Q127 VanDerWaalsContact C-N 3.31Å; Q125-Q127 PolarHBondContact O-N 3.38Å
126	Q	55.7	Low	63.6	Low	165 Å²	165	123.9 Å²	123.9	77%	0.771	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	177.2	-63.2	-174.4	1.6	0	0	113.9	A123 Q124	A123-Q126 PolarHBondContact O-N 3.12Å; Q124-Q126 PolarHBondContact O-N 2.94Å
127	Q	51.7	Low	61	Low	169 Å²	169	128.4 Å²	128.4	79%	0.79	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-2.8	-177.6	-68.6	-170.5	-17.6	0	0	114.7	Q124 Q125	Q124-Q127 PolarHBondContact O-N 3.42Å; Q124-Q127 VanDerWaalsContact O-N 3.14Å; Q125-Q127 VanDerWaalsContact C-N 3.31Å; Q125-Q127 PolarHBondContact O-N 3.38Å
128	Q	48	Very low	58.6	Low	180 Å²	180	132 Å²	132	84%	0.841	69%	0.688	S	S	*	*	S	Bend	trans	-97	-12.6	179.1	-163.3	161.3	-10.3	0	0	114	K130	Q128-K130 PolarHBondContact O-N 3.07Å
129	C	36.3	Very low	56.2	Low	120 Å²	120	131.8 Å²	131.8	81%	0.811	69%	0.694	S	S	*	*			trans	-92.2	67.7	174.4	-68	0	0	0	0	112
130	K	48.5	Very low	53.8	Low	190 Å²	190	132.2 Å²	132.2	83%	0.826	71%	0.708	S	S	*	*			trans	-135.7	101.8	168.5	-153.6	176	-171.1	-177.2	0	109.1	Q128	Q128-K130 PolarHBondContact O-N 3.07Å
131	P	47.8	Very low	51.4	Low	109 Å²	109	136.7 Å²	136.7	71%	0.708	73%	0.726	S	S	*	*			trans	-67.2	144.3	-174	27.2	-34.2	0	0	0	111.2	V133	P131-V133 PolarHBondContact O-N 3.28Å
132	P	46.3	Very low	49.1	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	74%	0.74	S	S	*	*			trans	-69.9	126.1	172	29.5	-32.7	0	0	0	109.7	T134	P132-T134 PolarHBondContact O-N 3.32Å; P132-T134 VanDerWaalsContact O-N 3.17Å
133	V	44.4	Very low	46.9	Very low	115 Å²	115	140.4 Å²	140.4	70%	0.697	75%	0.749	S	S	*	*			trans	-78.4	94.8	167.6	-82	0	0	0	0	109.3	P131 Y135	P131-V133 PolarHBondContact O-N 3.28Å; V133-Y135 HydrophobicContact CG2-CE2 4.44Å
134	T	47.9	Very low	44.8	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	77%	0.765	S	S	*	*			trans	-71.2	124.3	163.2	-57.4	0	0	0	0	108.3	P132	P132-T134 PolarHBondContact O-N 3.32Å; P132-T134 VanDerWaalsContact O-N 3.17Å
135	Y	38.4	Very low	43.2	Very low	204 Å²	204	143.4 Å²	143.4	80%	0.8	77%	0.772	S	S	*	*			trans	-89	115.7	170.4	-59.4	-89	0	0	0	108.4	V133	V133-Y135 HydrophobicContact CG2-CE2 4.44Å
136	D	41.4	Very low	41.9	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	78%	0.776	S	S	*	*			trans	-102.9	141.7	168.6	-109.9	-57.2	0	0	0	111.1
137	Q	37.6	Very low	41	Very low	169 Å²	169	141 Å²	141	79%	0.79	78%	0.779	S	S	*	*			trans	-116.7	108.4	-160.6	-179.6	-175.8	-5.6	0	0	110.9
138	V	42.7	Very low	40	Very low	148 Å²	148	138.1 Å²	138.1	90%	0.897	77%	0.773	S	S	*	*			trans	-122.1	140.6	169.2	-171.5	0	0	0	0	109.5
139	V	40.7	Very low	39.5	Very low	112 Å²	112	136 Å²	136	68%	0.679	77%	0.772	S	S	*	*			trans	-103.4	159.6	-160.7	173.1	0	0	0	0	111.8
140	S	39.3	Very low	39.6	Very low	103 Å²	103	136 Å²	136	72%	0.72	76%	0.763	S	S	*	*			trans	97.8	135.5	172.1	-38.5	0	0	0	0	114.2
141	N	39.7	Very low	39	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	76%	0.763	S	S	*	*			cis	-159.9	151.6	-12.5	40	-41.9	0	0	0	111.5
142	E	38	Very low	38.3	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	77%	0.774	S	S	*	*			trans	49.6	103.9	157.4	-66.1	172.6	-169.5	0	0	120.5
143	T	36.3	Very low	37.7	Very low	127 Å²	127	143 Å²	143	78%	0.779	78%	0.777	S	S	*	*				166.5	119.1	106.9	-68.4	0	0	0	0	113.4
144	T	36.5	Very low	37.5	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	78%	0.78	S	S	*	*			trans	36.3	107.3	151.6	-47.5	0	0	0	0	121.1
145	T	31.5	Very low	37	Very low	129 Å²	129	145.4 Å²	145.4	79%	0.791	78%	0.781	S	S	*	*			trans	-62.5	140.8	165.3	-49.4	0	0	0	0	114.2
146	T	31.7	Very low	36.9	Very low	124 Å²	124	143.8 Å²	143.8	76%	0.761	79%	0.785	S	S	*	*				173.9	116.5	126.8	-72.6	0	0	0	0	111.4
147	T	35.9	Very low	36.6	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	79%	0.785	S	S	*	*			trans	-170.9	129.2	138.2	-81.1	0	0	0	0	111.2
148	T	31.7	Very low	36.7	Very low	109 Å²	109	143.1 Å²	143.1	67%	0.669	78%	0.782	S	S	*	*			trans	-56.2	138.8	172.6	-53.8	0	0	0	0	114
149	T	36.2	Very low	36.2	Very low	136 Å²	136	147.1 Å²	147.1	83%	0.834	78%	0.782	S	S	*	*			trans	-151.8	129.1	138.3	-74	0	0	0	0	109.4
150	I	40	Very low	36	Very low	119 Å²	119	150.9 Å²	150.9	61%	0.61	79%	0.793	S	S	*	*			trans	-104.2	170.2	174.3	-64.4	173.4	0	0	0	107.5
151	Y	34.6	Very low	35.9	Very low	209 Å²	209	155.6 Å²	155.6	82%	0.82	80%	0.8	S	S	*	*			trans	83.8	87.2	171.7	-49	-73.6	0	0	0	117.1
152	Q	34.6	Very low	35.4	Very low	203 Å²	203	154.1 Å²	154.1	95%	0.949	80%	0.801	S	S	*	*			trans	-152.2	40	152.8	-129.6	173.1	39.1	0	0	115.5
153	D	32.5	Very low	35.3	Very low	150 Å²	150	155 Å²	155	80%	0.802	80%	0.802	S	S	*	*			trans	-138.9	66.4	172.4	-163.8	5.9	0	0	0	113.2
154	T	39.4	Very low	35	Very low	125 Å²	125	160.2 Å²	160.2	77%	0.767	81%	0.809	S	S	*	*			trans	-155.2	46.6	174.9	-36.6	0	0	0	0	113.2
155	Q	38.4	Very low	34.9	Very low	155 Å²	155	163 Å²	163	72%	0.724	81%	0.812	S	S	*	*	S	Bend	trans	-127.5	-17.8	179.6	-75.1	-71.7	20.1	0	0	116	N157	Q155-N157 PolarHBondContact O-N 3.28Å
156	L	37.2	Very low	35.3	Very low	171 Å²	171	164.3 Å²	164.3	90%	0.895	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	14.4	-169.9	-105.8	-66.4	0	0	0	116
157	N	35.1	Very low	35.5	Very low	156 Å²	156	163.7 Å²	163.7	83%	0.834	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	14.2	-173.3	-138.8	-32.3	0	0	0	115.4	Q155	Q155-N157 PolarHBondContact O-N 3.28Å
158	Q	38.4	Very low	35.4	Very low	154 Å²	154	164.4 Å²	164.4	72%	0.72	81%	0.81	S	S	*	*			trans	-101.8	-14.3	-179.1	-139.1	178.2	104.8	0	0	114.4	Q160	Q158-Q160 PolarHBondContact O-N 2.98Å
159	Y	32.5	Very low	35.7	Very low	231 Å²	231	168 Å²	168	91%	0.906	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	12.7	-170.1	-119.7	-86.2	0	0	0	116.4
160	Q	35.9	Very low	35.6	Very low	192 Å²	192	169.2 Å²	169.2	90%	0.897	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	2.9	-179.1	-68.5	-168.1	-3	0	0	115	Q158	Q158-Q160 PolarHBondContact O-N 2.98Å
161	K	37.5	Very low	35.4	Very low	202 Å²	202	169.4 Å²	169.4	88%	0.878	83%	0.825	S	S	*	*	S	Bend	trans	-110	5.9	-168.8	-142.5	175.8	-178.1	-179.9	0	116.4
162	S	29.9	Very low	35.2	Very low	105 Å²	105	164.7 Å²	164.7	73%	0.734	82%	0.822	S	S	*	*			trans	-122.7	68.1	-168.5	45.5	0	0	0	0	114.1
163	K	35.8	Very low	35.2	Very low	192 Å²	192	160.9 Å²	160.9	84%	0.835	82%	0.818	S	S	*	*	S	Bend	trans	-137.1	9.8	169.2	-122.8	-176.6	-174.3	-177.5	0	117.4
164	Y	30.8	Very low	35.1	Very low	236 Å²	236	161.1 Å²	161.1	93%	0.925	82%	0.819	S	S	*	*			trans	-137.8	78.2	173.9	-70.3	-71.9	0	0	0	111.8
165	Q	33.7	Very low	35	Very low	190 Å²	190	164.7 Å²	164.7	89%	0.888	83%	0.827	S	S	*	*			trans	-149.2	104.4	165.9	-150.3	144.6	5.9	0	0	109.5
166	I	39.6	Very low	34.7	Very low	158 Å²	158	165.7 Å²	165.7	81%	0.81	83%	0.832	S	S	*	*			trans	-89.5	123.3	176.4	-61.2	173.6	0	0	0	107.3	N168	I166-N168 PolarHBondContact O-N 3.42Å
167	P	35.2	Very low	34.6	Very low	111 Å²	111	165.8 Å²	165.8	72%	0.721	83%	0.831	S	S	*	*			trans	-71	113	176.8	-16.3	30.9	0	0	0	110.6	Q169	P167-Q169 PolarHBondContact O-N 3.12Å
168	N	34.8	Very low	34.4	Very low	149 Å²	149	163.7 Å²	163.7	80%	0.797	82%	0.824	S	S	*	*			trans	-89.4	100.6	171	-153.4	48.9	0	0	0	108.3	I166	I166-N168 PolarHBondContact O-N 3.42Å
169	Q	36.8	Very low	34.2	Very low	184 Å²	184	163.2 Å²	163.2	86%	0.86	82%	0.82	S	S	*	*			trans	-91.7	122.3	177	-72.3	-169.5	2.7	0	0	110.8	P167	P167-Q169 PolarHBondContact O-N 3.12Å
170	Q	35.3	Very low	34.1	Very low	161 Å²	161	161 Å²	161	75%	0.752	81%	0.812	S	S	*	*			trans	-142.3	111	169.9	-173.3	173.7	-1.5	0	0	107.6
171	P	35.1	Very low	34.2	Very low	124 Å²	124	156.9 Å²	156.9	81%	0.805	80%	0.8	S	S	*	*			trans	-76.6	141.1	-177.7	30.7	-33.8	0	0	0	110.8
172	S	31.1	Very low	34	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	79%	0.79	S	S	*	*			trans	-151.7	107.5	170.1	-71.3	0	0	0	0	109.1
173	S	34.9	Very low	34.5	Very low	123 Å²	123	153.7 Å²	153.7	86%	0.86	78%	0.784	S	S	*	*			trans	-84.3	110.8	178.7	50.3	0	0	0	0	110.4
174	N	29	Very low	34.7	Very low	155 Å²	155	151 Å²	151	83%	0.829	78%	0.779	S	S	*	*			trans	-65.7	142.9	166.7	-80.2	-47.4	0	0	0	111
175	Q	37.9	Very low	35.1	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	77%	0.765	S	S	*	*			trans	-150.4	144.8	131	-119.9	167.2	102.8	0	0	110.8
176	Q	31.5	Very low	35.3	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	76%	0.761	S	S	*	*			trans	-83.7	155.9	-177.6	-64	165.8	-61.3	0	0	110.9
177	I	34.9	Very low	35.1	Very low	173 Å²	173	140.9 Å²	140.9	89%	0.887	75%	0.754	S	S	*	*				-156.8	160.3	129.8	-103.8	152.7	0	0	0	108.6
178	T	31.6	Very low	35.2	Very low	112 Å²	112	144.3 Å²	144.3	69%	0.687	76%	0.76	S	S	*	*			trans	-118.1	153.5	-150.1	12.1	0	0	0	0	115.7
179	K	35.1	Very low	35	Very low	145 Å²	145	142.4 Å²	142.4	63%	0.63	76%	0.758	S	S	*	*			trans	88.1	137.7	137.7	-83.9	170.6	167.7	-158.1	0	121.6
180	Y	30.5	Very low	34.9	Very low	185 Å²	185	140.2 Å²	140.2	73%	0.725	76%	0.757	S	S	*	*			trans	75.9	146.6	150.2	-55.5	-30.8	0	0	0	118.5
181	T	36.4	Very low	34.8	Very low	105 Å²	105	141 Å²	141	64%	0.644	76%	0.761	S	S	*	*			cis	-174.6	136.4	-20.6	-102.5	0	0	0	0	109.5
182	N	34.8	Very low	35	Very low	127 Å²	127	140.2 Å²	140.2	68%	0.679	76%	0.756	S	S	*	*			trans	61.3	163.2	160.5	-70.6	33.4	0	0	0	118
183	D	39.7	Very low	35.1	Very low	112 Å²	112	141.4 Å²	141.4	60%	0.599	76%	0.759	S	S	*	*			cis	-158.9	150.1	-15.6	-103.8	-17	0	0	0	109.1
184	N	39.3	Very low	35	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	75%	0.751	S	S	*	*			trans	57.1	158.8	152	-57	-19.6	0	0	0	119.4
185	D	39.2	Very low	35.3	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	75%	0.749	S	S	*	*			cis	-148.4	164.7	-2.6	-140.2	-46.6	0	0	0	112.1
186	Q	38.5	Very low	35.2	Very low	169 Å²	169	137 Å²	137	79%	0.79	75%	0.745	S	S	*	*			trans	37	130.6	152.7	-92.9	160.6	74.4	0	0	125.6
187	A	35.7	Very low	35.4	Very low	81 Å²	81	133 Å²	133	67%	0.669	73%	0.733	S	S	*	*				95.3	107.2	126.5	0	0	0	0	0	122.2
188	H	37.1	Very low	35.5	Very low	184 Å²	184	132.5 Å²	132.5	85%	0.852	73%	0.726	S	S	*	*			trans	68.8	104.3	134.7	-71.7	-63.2	0	0	0	123
189	S	30.8	Very low	35.6	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	73%	0.726	S	S	*	*				105.2	153.7	119.2	-152	0	0	0	0	119.7
190	V	35.5	Very low	35.9	Very low	137 Å²	137	134.3 Å²	134.3	83%	0.83	74%	0.738	S	S	*	*			trans	72.2	133.6	170.8	-147.8	0	0	0	0	117.5
191	Q	32.9	Very low	36.1	Very low	178 Å²	178	132.8 Å²	132.8	83%	0.832	74%	0.737	S	S	*	*			trans	-76.8	172.4	168	-73.6	-169.7	13.6	0	0	110.6
192	P	38.4	Very low	36.2	Very low	107 Å²	107	136 Å²	136	70%	0.695	75%	0.749	S	S	*	*			cis	-147.9	-167.2	26	44.4	-22.3	0	0	0	117.8
193	T	33.2	Very low	36.4	Very low	136 Å²	136	134 Å²	134	83%	0.834	75%	0.745	S	S	*	*			trans	-13.7	132.6	164.8	53.8	0	0	0	0	121.3
194	G	32.7	Very low	36.3	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	75%	0.751	S	S	*	*			trans	-176.4	105.3	154.9	0	0	0	0	0	109.3
195	I	35.2	Very low	36.4	Very low	154 Å²	154	132.5 Å²	132.5	79%	0.79	75%	0.754	S	S	*	*				66.5	114.6	77.9	-62.4	172	0	0	0	113.4
196	L	35.7	Very low	36.3	Very low	163 Å²	163	130.3 Å²	130.3	85%	0.853	76%	0.76	S	S	*	*			trans	176.7	149.7	136.7	-110.9	107.7	0	0	0	109.8
197	V	36.5	Very low	36.4	Very low	92 Å²	92	130.3 Å²	130.3	56%	0.558	76%	0.764	S	S	*	*			cis	-173.7	169.5	-29.8	97.8	0	0	0	0	112
198	Q	35.9	Very low	36.5	Very low	162 Å²	162	132.8 Å²	132.8	76%	0.757	77%	0.77	S	S	*	*			trans	65.3	150.3	164.9	-80.3	151.4	7.4	0	0	117.7
199	N	34.2	Very low	36.5	Very low	128 Å²	128	131.8 Å²	131.8	68%	0.684	77%	0.766	S	S	*	*			cis	-147.4	160.2	-5	-125.3	-16.4	0	0	0	108
200	L	42.1	Very low	37	Very low	167 Å²	167	132.6 Å²	132.6	87%	0.874	77%	0.769	S	S	*	*			cis	-155.3	175.7	49.8	-154	70.9	0	0	0	111.6
201	Q	35.5	Very low	37.1	Very low	153 Å²	153	131.6 Å²	131.6	72%	0.715	76%	0.763	S	S	*	*			trans	-137.9	140	-159.2	170.2	-154	-89.8	0	0	113.9
202	I	37.5	Very low	37.5	Very low	172 Å²	172	132.6 Å²	132.6	88%	0.882	77%	0.768	S	S	*	*			trans	-140.7	144.6	147.4	-58.6	-174	0	0	0	109.3
203	S	38.6	Very low	37.5	Very low	85 Å²	85	130.5 Å²	130.5	59%	0.594	77%	0.765	S	S	*	*			trans	-100.9	-176.8	-167.9	-51.8	0	0	0	0	112.9
204	S	38.8	Very low	37.7	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	77%	0.77	S	S	*	*			cis	-161.4	157.5	22.3	-45.6	0	0	0	0	114.5
205	S	40.3	Very low	38	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	77%	0.769	S	S	*	*			trans	21.1	141.8	145.1	59.4	0	0	0	0	122.9
206	G	37.4	Very low	38.2	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	77%	0.766	S	S	*	*			cis	114.2	108.5	-7.5	0	0	0	0	0	117
207	I	40.2	Very low	38.4	Very low	169 Å²	169	133.5 Å²	133.5	87%	0.867	76%	0.758	S	S	*	*			trans	-158.9	150.2	164.5	-55.7	-177.7	0	0	0	106.7
208	T	38.6	Very low	38.4	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	77%	0.772	S	S	*	*			cis	-178.8	156.9	-32.3	-67.9	0	0	0	0	105.5
209	E	35.7	Very low	38.5	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	78%	0.776	S	S	*	*			trans	-79.3	-173	-176.3	-117.4	-177	173.6	0	0	114.6
210	P	42.3	Very low	39	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	77%	0.774	S	S	*	*			cis	-144.8	-154.9	32.9	43.5	-19.8	0	0	0	117.9
211	T	37.6	Very low	38.8	Very low	116 Å²	116	136.7 Å²	136.7	71%	0.712	77%	0.773	S	S	*	*			trans	-129.8	148.3	-149.6	-57.2	0	0	0	0	116.3
212	E	40.2	Very low	38.8	Very low	199 Å²	199	133.9 Å²	133.9	93%	0.93	77%	0.77	S	S	*	*			trans	-166.2	174.8	152.3	-116.9	-174.4	175.7	0	0	110.8
213	G	38.3	Very low	38.7	Very low	63 Å²	63	130.2 Å²	130.2	65%	0.649	76%	0.76	S	S	*	*			cis	178.5	79.6	0.1	0	0	0	0	0	117.1
214	Y	38.1	Very low	38.5	Very low	238 Å²	238	131.8 Å²	131.8	93%	0.933	77%	0.771	S	S	*	*			trans	63.5	138.1	152.1	-129.2	-90.9	0	0	0	124.7
215	G	40.1	Very low	38.4	Very low	65 Å²	65	131.3 Å²	131.3	67%	0.67	77%	0.774	S	S	*	*			trans	93.4	151.8	151.8	0	0	0	0	0	119.7
216	D	39.2	Very low	38.1	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	78%	0.779	S	S	*	*			cis	-161.4	171.6	-23.3	-153.7	2	0	0	0	112.9
217	Q	38.4	Very low	38	Very low	144 Å²	144	136 Å²	136	67%	0.673	78%	0.78	S	S	*	*			trans	-12.8	134.5	178	-46.3	-61.5	-46.9	0	0	120.9
218	N	37.4	Very low	37.5	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	78%	0.775	S	S	*	*				175.3	157.8	99.6	-96.9	-64.8	0	0	0	118.2
219	K	37.6	Very low	37.5	Very low	193 Å²	193	138 Å²	138	84%	0.839	78%	0.781	S	S	*	*			trans	-89.1	-166.6	-160.6	-146.4	-163.9	174.2	-176.2	0	114.3
220	P	45.4	Very low	37.3	Very low	101 Å²	101	139.2 Å²	139.2	66%	0.656	79%	0.787	S	S	*	*				-116	-169.7	-111.1	44.6	-28.2	0	0	0	114.6
221	L	37	Very low	37	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	78%	0.784	S	S	*	*			trans	-170.4	164.1	139.5	-102.5	159.8	0	0	0	114.7
222	S	35.7	Very low	36.9	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	79%	0.787	S	S	*	*			trans	-58.4	172.2	173.9	52.5	0	0	0	0	116
223	S	35.8	Very low	36.7	Very low	95 Å²	95	139.9 Å²	139.9	66%	0.664	78%	0.779	S	S	*	*			cis	-175.2	164	1.8	31.4	0	0	0	0	111.8
224	S	33.9	Very low	36.3	Very low	118 Å²	118	143 Å²	143	83%	0.825	78%	0.781	S	S	*	*			trans	67.8	160.7	154.7	71.5	0	0	0	0	117.2
225	A	38.4	Very low	36.2	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	78%	0.778	S	S	*	*			cis	-142.9	170.5	9.7	0	0	0	0	0	114.3
226	L	32.1	Very low	35.9	Very low	173 Å²	173	141.1 Å²	141.1	91%	0.906	79%	0.785	S	S	*	*			trans	-64.9	149	179.6	-62	142.6	0	0	0	114.3
227	S	36.3	Very low	35.6	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	79%	0.789	S	S	*	*			trans	-163	126.7	137.1	-171.2	0	0	0	0	114
228	N	29.8	Very low	35.2	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	79%	0.793	S	S	*	*			trans	-34.8	143.3	171.5	-49.5	-36.5	0	0	0	118
229	Q	38.1	Very low	35.1	Very low	200 Å²	200	139.9 Å²	139.9	94%	0.935	79%	0.791	S	S	*	*				-159.5	160.2	107.1	-106.8	177.1	22.4	0	0	111.6
230	Q	31.1	Very low	34.9	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	79%	0.793	S	S	*	*			trans	-144.9	141.7	-168.6	175.5	165.8	-18.2	0	0	111.5
231	S	37	Very low	34.2	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	80%	0.803	S	S	*	*			trans	-157.9	179.6	173.5	57.7	0	0	0	0	111.1
232	D	36.1	Very low	33.9	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	81%	0.806	S	S	*	*			trans	-99.1	153.4	-157.6	-65.4	-78.8	0	0	0	114.6
233	R	34.2	Very low	33.6	Very low	201 Å²	201	145.7 Å²	145.7	76%	0.758	81%	0.811	S	S	*	*			cis	79.4	123.5	44.5	-97.1	-77.7	-177.3	176.5	4.6	114.5
234	D	30.8	Very low	33.5	Very low	129 Å²	129	148.7 Å²	148.7	69%	0.69	82%	0.818	S	S	*	*			trans	59.9	112.9	159.2	-54.3	-26.4	0	0	0	121.4
235	A	35.9	Very low	33.3	Very low	107 Å²	107	149.1 Å²	149.1	88%	0.884	82%	0.815	S	S	*	*			trans	-157.1	128	144.4	0	0	0	0	0	110.5
236	L	33.7	Very low	32.9	Very low	156 Å²	156	151.7 Å²	151.7	82%	0.817	82%	0.816	S	S	*	*			trans	-140.5	115.3	-179.1	-145.9	175	0	0	0	109.1
237	C	32.4	Very low	33.1	Very low	119 Å²	119	148.8 Å²	148.8	80%	0.804	81%	0.81	S	S	*	*			trans	-154.1	116.3	169	-143.4	0	0	0	0	106.1
238	N	31.2	Very low	32.9	Very low	140 Å²	140	149.3 Å²	149.3	75%	0.749	81%	0.809	S	S	*	*				58.7	96.3	64.1	-64.1	-12.6	0	0	0	112.5
239	D	34.8	Very low	32.9	Very low	155 Å²	155	149.6 Å²	149.6	83%	0.829	81%	0.81	S	S	*	*			trans	-142.7	166.2	155.5	-154.6	-16	0	0	0	107.7
240	Y	33.9	Very low	32.6	Very low	222 Å²	222	145.1 Å²	145.1	87%	0.871	80%	0.801	S	S	*	*			trans	86.6	76.6	-160.6	-68.9	-74	0	0	0	116.3
241	N	30.9	Very low	32.6	Very low	164 Å²	164	143 Å²	143	88%	0.877	79%	0.794	S	S	*	*			trans	-135.2	91.9	144.1	-100.6	-38	0	0	0	108.6
242	E	30.2	Very low	32.3	Very low	195 Å²	195	144.5 Å²	144.5	91%	0.911	79%	0.792	S	S	*	*			trans	178.1	110.8	146.8	-107.7	-175.3	-162.5	0	0	111.3
243	A	30.1	Very low	32.1	Very low	91 Å²	91	145.3 Å²	145.3	75%	0.752	80%	0.795	S	S	*	*			trans	-179.2	160.1	152.2	0	0	0	0	0	109.9
244	I	33.6	Very low	32	Very low	158 Å²	158	139.7 Å²	139.7	81%	0.81	79%	0.787	S	S	*	*			trans	62.1	56.8	170.3	-36	-176	0	0	0	114.5
245	V	29.1	Very low	32.2	Very low	127 Å²	127	140.6 Å²	140.6	77%	0.77	79%	0.792	S	S	*	*			trans	-77.9	148.4	131.6	-168.6	0	0	0	0	106.9
246	N	30.2	Very low	31.9	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	79%	0.788	S	S	*	*			trans	66.4	100.9	177.8	-53.2	-34.9	0	0	0	117.2
247	S	36.4	Very low	32.1	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	79%	0.794	S	S	*	*				-166.1	132.8	116	-171.5	0	0	0	0	110.5
248	V	31	Very low	32.1	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	79%	0.794	S	S	*	*			trans	-138.1	133	173.9	-170.4	0	0	0	0	107.7
249	N	29.5	Very low	32.3	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	80%	0.799	S	S	*	*			trans	65	112.4	178.3	-54	-34.4	0	0	0	117.4
250	S	31.9	Very low	32.1	Very low	105 Å²	105	149.3 Å²	149.3	73%	0.734	80%	0.8	S	S	*	*				-169.3	146.7	118.9	-134.5	0	0	0	0	112.9
251	I	32.3	Very low	32.3	Very low	143 Å²	143	143.1 Å²	143.1	73%	0.733	79%	0.787	S	S	*	*			trans	59.2	114.3	155	-58.5	155.4	0	0	0	116.4
252	I	30.3	Very low	32.7	Very low	140 Å²	140	138.8 Å²	138.8	72%	0.718	78%	0.782	S	S	*	*			cis	81.7	117.8	27.1	-56.3	-175.6	0	0	0	115.4
253	L	32.2	Very low	32.7	Very low	162 Å²	162	139.2 Å²	139.2	85%	0.848	78%	0.776	S	S	*	*			trans	67.8	146.7	169.7	-67.3	164.9	0	0	0	116.6
254	S	31.1	Very low	32.9	Very low	83 Å²	83	141.2 Å²	141.2	58%	0.58	78%	0.779	S	S	*	*			cis	-158.1	176.9	-11	53.2	0	0	0	0	113.2
255	D	35.6	Very low	32.9	Very low	148 Å²	148	139.7 Å²	139.7	79%	0.791	78%	0.777	S	S	*	*			trans	78.7	122.7	155.4	-59	-54.2	0	0	0	121.6
256	N	29.8	Very low	32.8	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	78%	0.779	S	S	*	*			trans	-89.8	144.8	167.3	-55.5	-80.5	0	0	0	109.7
257	Q	38	Very low	32.9	Very low	200 Å²	200	139 Å²	139	94%	0.935	78%	0.779	S	S	*	*			trans	-131.5	143.6	138.2	-73.4	-157	8.3	0	0	110.6
258	N	31	Very low	32.5	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	78%	0.777	S	S	*	*			trans	-85.2	126.7	-174.6	-68.8	-67.8	0	0	0	111.8
259	V	35.7	Very low	32.5	Very low	141 Å²	141	138.8 Å²	138.8	86%	0.855	78%	0.777	S	S	*	*			trans	-140.3	129.2	144.4	-172.3	0	0	0	0	108.2
260	Y	31.7	Very low	32.5	Very low	216 Å²	216	141.3 Å²	141.3	85%	0.847	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88.9	150.4	175.5	-118.9	-111.5	0	0	0	110.8
261	P	38.3	Very low	32.4	Very low	92 Å²	92	142.8 Å²	142.8	60%	0.597	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.8	152	-163.5	34	-36.5	0	0	0	114.7
262	G	37.9	Very low	32.3	Very low	74 Å²	74	143.6 Å²	143.6	76%	0.763	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-101.4	148.2	163.9	0	0	0	0	0	111.9
263	Y	30.9	Very low	32.3	Very low	204 Å²	204	142.7 Å²	142.7	80%	0.8	79%	0.793	S	S	*	*			trans	-121	124.5	-172.1	4.9	-112.4	0	0	0	111.9
264	T	34.7	Very low	32.4	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	79%	0.791	S	S	*	*			trans	-156.3	139.4	163.8	27	0	0	0	0	114.2
265	T	32.9	Very low	32.5	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	80%	0.798	S	S	*	*			trans	51.4	101.3	146.4	57.7	0	0	0	0	122.1
266	T	26.6	Very low	32.5	Very low	129 Å²	129	142.6 Å²	142.6	79%	0.791	80%	0.798	S	S	*	*				7.7	135.3	118.8	-43.7	0	0	0	0	119.7
267	T	33.5	Very low	32.8	Very low	131 Å²	131	142.9 Å²	142.9	80%	0.804	79%	0.794	S	S	*	*			trans	-154.6	156.2	143.1	-78.7	0	0	0	0	109.9
268	T	28.3	Very low	32.4	Very low	124 Å²	124	140.3 Å²	140.3	76%	0.761	79%	0.787	S	S	*	*			trans	-141.2	121.8	-177.4	-65.9	0	0	0	0	112.7
269	C	30.1	Very low	32.7	Very low	110 Å²	110	138.6 Å²	138.6	74%	0.743	78%	0.782	S	S	*	*			trans	-155.4	120.3	160.4	41.7	0	0	0	0	107
270	K	30.5	Very low	32.6	Very low	204 Å²	204	140.1 Å²	140.1	89%	0.887	78%	0.78	S	S	*	*				73.4	124.4	63.4	-76	-166.9	172.4	-177.5	0	113.9
271	T	29.1	Very low	32.9	Very low	136 Å²	136	137.1 Å²	137.1	83%	0.834	78%	0.777	S	S	*	*			trans	-76.1	160.1	-176.4	47.6	0	0	0	0	113.7
272	N	29.6	Very low	32.8	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	78%	0.783	S	S	*	*			trans	-145.2	160.6	155.7	-154.2	-1.4	0	0	0	110.8
273	T	30	Very low	32.7	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	78%	0.778	S	S	*	*			trans	-144	129.7	-165	51.4	0	0	0	0	114.5
274	S	34.3	Very low	33	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	78%	0.777	S	S	*	*			trans	-172	156.6	166.5	52.1	0	0	0	0	110.5
275	S	34	Very low	33.1	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	78%	0.775	S	S	*	*			cis	-175.2	127.2	-34.5	49.4	0	0	0	0	110.9
276	H	35.1	Very low	33.2	Very low	172 Å²	172	139 Å²	139	80%	0.796	77%	0.769	S	S	*	*			trans	70.3	147.3	151.2	-90.4	-75.9	0	0	0	124.9
277	Q	35.9	Very low	33.7	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	77%	0.765	S	S	*	*			trans	78.1	111.5	156.8	-70	167.5	13.4	0	0	117.8
278	N	31.1	Very low	34	Very low	145 Å²	145	138 Å²	138	78%	0.775	76%	0.76	S	S	*	*				85.7	140.2	76.8	-66.9	11.3	0	0	0	110.8
279	T	36.6	Very low	34.3	Very low	115 Å²	115	139 Å²	139	71%	0.706	76%	0.756	S	S	*	*			cis	-160.1	137	34.2	-61.5	0	0	0	0	111.2
280	E	34.5	Very low	34.5	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.813	75%	0.751	S	S	*	*				39.6	148.5	129.8	-126	173.6	-170.6	0	0	121.7
281	I	36.4	Very low	34.7	Very low	152 Å²	152	137.1 Å²	137.1	78%	0.779	74%	0.744	S	S	*	*				-163.8	161.4	62.2	-75.7	-174.7	0	0	0	112.2
282	S	37.1	Very low	35	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	74%	0.744	S	S	*	*			trans	-94.3	-167.4	-174.8	58.8	0	0	0	0	114.9
283	H	36.7	Very low	35.1	Very low	141 Å²	141	134.3 Å²	134.3	65%	0.653	74%	0.736	S	S	*	*			cis	-165	-162.4	23	-165.3	45	0	0	0	113.3
284	L	35.4	Very low	35.4	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	74%	0.736	S	S	*	*			trans	89.2	127.8	170.4	-48.2	178.8	0	0	0	117.2
285	K	36.7	Very low	35.4	Very low	181 Å²	181	135 Å²	135	79%	0.787	73%	0.729	S	S	*	*			cis	84.8	141.7	29.9	-86	-169.5	171.2	-177.8	0	115.9
286	S	36.5	Very low	35.5	Very low	92 Å²	92	138 Å²	138	64%	0.643	74%	0.737	S	S	*	*			cis	-166.9	168.4	-2.7	-170.2	0	0	0	0	112.1
287	S	37.2	Very low	35.4	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	73%	0.731	S	S	*	*			trans	76.5	156.9	146.3	-67.3	0	0	0	0	121
288	M	38.2	Very low	35.3	Very low	140 Å²	140	132 Å²	132	69%	0.69	74%	0.74	S	S	*	*			cis	-177.9	141.1	-21	-179	165	92.1	0	0	111
289	E	36.3	Very low	35.4	Very low	144 Å²	144	129.8 Å²	129.8	67%	0.673	74%	0.736	S	S	*	*			trans	61.8	161	155.9	-76.7	172.7	-179	0	0	119.8
290	Q	34	Very low	35.5	Very low	139 Å²	139	131.5 Å²	131.5	65%	0.65	74%	0.738	S	S	*	*			cis	-165	-179.4	-26.8	-122.8	178.4	43.1	0	0	109.5
291	N	33.7	Very low	35.6	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	74%	0.738	S	S	*	*			trans	93	137.8	142.7	-82.4	-39.3	0	0	0	124.8
292	V	34.9	Very low	35.6	Very low	140 Å²	140	127 Å²	127	85%	0.848	74%	0.739	S	S	*	*			trans	89.7	146.5	153.8	171.9	0	0	0	0	120.2
293	S	33.2	Very low	35.5	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	74%	0.743	S	S	*	*			trans	-133.7	-159.9	-165	62.1	0	0	0	0	111.2
294	T	36	Very low	35.7	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	75%	0.746	S	S	*	*			trans	81	141.1	165.6	-51.1	0	0	0	0	115.2
295	I	34.8	Very low	35.8	Very low	132 Å²	132	128.6 Å²	128.6	68%	0.677	74%	0.744	S	S	*	*			cis	-177.2	163.3	-30	-113.1	161.7	0	0	0	107.4
296	N	35.6	Very low	35.9	Very low	165 Å²	165	128.9 Å²	128.9	88%	0.882	75%	0.748	S	S	*	*			trans	67.9	156.6	176.2	-59.6	-30.8	0	0	0	117.2
297	G	32.2	Very low	35.7	Very low	64 Å²	64	127.6 Å²	127.6	66%	0.66	75%	0.749	S	S	*	*			cis	157.4	149.2	-12.2	0	0	0	0	0	114.5
298	C	34	Very low	35.9	Very low	139 Å²	139	129.8 Å²	129.8	94%	0.939	76%	0.758	S	S	*	*			trans	68.9	160.1	171.7	-61.2	0	0	0	0	118.2
299	S	34.3	Very low	35.7	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	76%	0.759	S	S	*	*			cis	-172.8	177.2	-29.9	-168.5	0	0	0	0	110.7
300	M	38.4	Very low	35.9	Very low	152 Å²	152	128.3 Å²	128.3	75%	0.749	77%	0.765	S	S	*	*			trans	91	102.8	161.1	-55.3	-58.1	-163.1	0	0	122.3
301	N	35.8	Very low	35.9	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	77%	0.77	S	S	*	*				46	136	118.3	-52.5	-4.1	0	0	0	123
302	G	36.9	Very low	35.9	Very low	76 Å²	76	127 Å²	127	78%	0.784	77%	0.772	S	S	*	*			trans	176.8	95.1	163.6	0	0	0	0	0	116.8
303	N	35.7	Very low	36.4	Very low	155 Å²	155	126 Å²	126	83%	0.829	77%	0.768	S	S	*	*			trans	-56.1	166.5	175.8	-40.3	-16.7	0	0	0	113.4
304	T	40.1	Very low	36.9	Very low	116 Å²	116	132.6 Å²	132.6	71%	0.712	78%	0.78	S	S	*	*			cis	-167.1	155.6	44.9	-70.2	0	0	0	0	113.5
305	E	36.8	Very low	37	Very low	158 Å²	158	136.8 Å²	136.8	74%	0.738	78%	0.783	S	S	*	*			trans	-19	140.8	162.9	-55.9	149.9	170.9	0	0	121.4
306	H	39.5	Very low	37.2	Very low	188 Å²	188	135.7 Å²	135.7	87%	0.87	79%	0.787	S	S	*	*				-175.7	168.5	104.1	-104.8	-71.1	0	0	0	113.8
307	G	32.4	Very low	37.3	Very low	65 Å²	65	133 Å²	133	67%	0.67	78%	0.781	S	S	*	*			trans	-75.6	-170.3	-173.5	0	0	0	0	0	116.4
308	V	41.9	Very low	37.6	Very low	146 Å²	146	134.6 Å²	134.6	89%	0.885	78%	0.782	S	S	*	*			cis	-145.7	165.6	35.5	-73.8	0	0	0	0	114.2
309	N	33.2	Very low	37.8	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	78%	0.777	S	S	*	*			trans	-87.8	150.8	172.1	-174.9	39.2	0	0	0	112.2	D311	N309-D311 PolarHBondContact ND2-OD2 3.05Å
310	C	39.7	Very low	38.4	Very low	119 Å²	119	138.6 Å²	138.6	80%	0.804	79%	0.787	S	S	*	*			trans	-154.4	90.4	167.6	49.9	0	0	0	0	113.5
311	D	34	Very low	38.6	Very low	139 Å²	139	136.3 Å²	136.3	74%	0.743	79%	0.785	S	S	*	*			trans	-72.3	133.5	162.5	-67.1	-86.2	0	0	0	111.5	N309	N309-D311 PolarHBondContact ND2-OD2 3.05Å
312	S	35.5	Very low	38.7	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	79%	0.787	S	S	*	*			trans	-167.9	129.7	144.8	-162.8	0	0	0	0	112
313	P	44.5	Very low	39.1	Very low	118 Å²	118	143.1 Å²	143.1	77%	0.766	79%	0.791	S	S	*	*			trans	-88	154.5	173	35.6	-33.6	0	0	0	112.1
314	Y	43.9	Very low	39.3	Very low	235 Å²	235	142 Å²	142	92%	0.922	79%	0.786	S	S	*	*			trans	-134	155.7	166.6	-124.3	-97.5	0	0	0	112.3
315	Y	38.8	Very low	39.3	Very low	210 Å²	210	144.4 Å²	144.4	82%	0.824	79%	0.793	S	S	*	*			trans	-125.2	169.9	-164.5	-153.2	-94	0	0	0	110.5
316	S	37.5	Very low	39.4	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	80%	0.804	S	S	*	*			trans	69.4	155.3	173.9	-73	0	0	0	0	116.7
317	S	37.7	Very low	39.4	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	80%	0.799	S	S	*	*			cis	-160.2	162.4	-17.5	177.4	0	0	0	0	110.4
318	S	38.9	Very low	39.9	Very low	97 Å²	97	148.7 Å²	148.7	68%	0.678	81%	0.809	S	S	*	*			trans	-40.7	156.3	-178.2	-45.8	0	0	0	0	121
319	D	39.4	Very low	40.1	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	80%	0.799	S	S	*	*			trans	39	130.8	143.1	-66	-62.3	0	0	0	122.2
320	D	46.3	Very low	40.4	Very low	164 Å²	164	147.9 Å²	147.9	88%	0.877	81%	0.806	S	S	*	*			trans	-145.2	160.5	144.3	-150.7	-15.6	0	0	0	111.4
321	S	41.6	Very low	40.2	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	80%	0.799	S	S	*	*			trans	-111.3	163.8	-149.8	-81.2	0	0	0	0	118.1
322	V	39.3	Very low	40.4	Very low	142 Å²	142	143.8 Å²	143.8	86%	0.861	80%	0.799	S	S	*	*			trans	-54.6	142.7	-176.3	-158.1	0	0	0	0	114.6
323	R	43.7	Very low	40.5	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	81%	0.805	S	S	*	*			trans	-136.7	119.3	157.8	-88.4	-169.9	172.9	-172.5	0	114.3
324	N	40.6	Very low	40.2	Very low	133 Å²	133	149.3 Å²	149.3	71%	0.711	81%	0.808	S	S	*	*			trans	35.3	115.2	143	-51.7	-17.6	0	0	0	119.3
325	L	40.5	Very low	40.1	Very low	165 Å²	165	142.7 Å²	142.7	86%	0.864	79%	0.794	S	S	*	*				58.1	92.4	70.3	-71.4	168.4	0	0	0	116.3
326	R	39.3	Very low	40	Very low	257 Å²	257	141.3 Å²	141.3	97%	0.97	80%	0.795	S	S	*	*				-174.7	133.2	129.3	-108.4	177.1	174.6	-171.6	-2.1	111.9
327	G	39.5	Very low	40.1	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	79%	0.79	S	S	*	*			trans	151.1	101.4	173.3	0	0	0	0	0	113.1
328	L	43.1	Very low	39.9	Very low	171 Å²	171	143.4 Å²	143.4	90%	0.895	79%	0.793	S	S	*	*			trans	-130.8	179.3	177.2	-67	171.5	0	0	0	108.4
329	P	46.2	Very low	40	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	79%	0.791	S	S	*	*				-132.9	-142.6	-93.1	38.7	-16.1	0	0	0	112
330	N	37.8	Very low	39.7	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	79%	0.786	S	S	*	*			trans	84.1	142.3	177.6	-51.9	-19.6	0	0	0	115.5
331	G	37.1	Very low	39.2	Very low	65 Å²	65	140 Å²	140	67%	0.67	79%	0.787	S	S	*	*			cis	174.7	167.1	-7.7	0	0	0	0	0	114.4
332	S	36.9	Very low	38.6	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	79%	0.791	S	S	*	*			trans	47.3	114.4	160.9	59.4	0	0	0	0	120.3
333	N	37.8	Very low	38.3	Very low	166 Å²	166	143.7 Å²	143.7	89%	0.888	79%	0.79	S	S	*	*				-171.5	167.9	99.1	-90.7	-37.4	0	0	0	112.2
334	E	39	Very low	37.6	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	78%	0.779	S	S	*	*			trans	-111.9	-160.5	-158.5	-145.4	-154.3	161.8	0	0	113.2
335	P	41.6	Very low	37.3	Very low	96 Å²	96	139.5 Å²	139.5	62%	0.623	79%	0.788	S	S	*	*				-114.3	177.6	-118.3	40.9	-25.7	0	0	0	115.2
336	H	36.4	Very low	36.6	Very low	180 Å²	180	139.2 Å²	139.2	83%	0.833	79%	0.787	S	S	*	*			trans	-138.1	151.8	156.6	-156	-82.9	0	0	0	112.1
337	V	40.6	Very low	36.2	Very low	110 Å²	110	131.3 Å²	131.3	67%	0.667	78%	0.777	S	S	*	*			trans	-109.6	178.9	-170.9	-72.2	0	0	0	0	113.5
338	N	32.4	Very low	35.9	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	78%	0.779	S	S	*	*			trans	99.2	147	166.4	-86.9	-4.9	0	0	0	119
339	P	40.5	Very low	35.2	Very low	100 Å²	100	132 Å²	132	65%	0.649	77%	0.773	S	S	*	*			trans	-140.4	-147.7	-136.5	37.2	-12.1	0	0	0	113.3
340	T	32.8	Very low	34.6	Very low	119 Å²	119	135.9 Å²	135.9	73%	0.73	78%	0.78	S	S	*	*			trans	81.3	114.3	166.3	69.7	0	0	0	0	118.7
341	S	36.8	Very low	34.6	Very low	128 Å²	128	134 Å²	134	90%	0.895	78%	0.777	S	S	*	*			trans	-151.2	108	134.7	-36.5	0	0	0	0	108.2
342	F	29	Very low	34.2	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.803	78%	0.779	S	S	*	*			trans	-84.8	139.7	169	-99.3	-103.5	0	0	0	109.2
343	V	32.4	Very low	34.2	Very low	140 Å²	140	137.9 Å²	137.9	85%	0.848	78%	0.783	S	S	*	*			trans	-134.7	104.4	149.4	-175.8	0	0	0	0	108.5
344	T	28.8	Very low	33.8	Very low	103 Å²	103	137 Å²	137	63%	0.632	78%	0.778	S	S	*	*			trans	-118.5	126.8	167.1	-58.5	0	0	0	0	107.2
345	L	34	Very low	33.6	Very low	173 Å²	173	135.4 Å²	135.4	91%	0.906	78%	0.78	S	S	*	*			trans	-132.6	142.9	158.3	-76.5	179.7	0	0	0	109.5
346	N	27.5	Very low	33.4	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	79%	0.792	S	S	*	*			trans	-132.1	159.8	-173.5	-164.6	6	0	0	0	108.8
347	A	30.9	Very low	33.6	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	79%	0.789	S	S	*	*			trans	-83.8	155.2	-164.4	0	0	0	0	0	115.4
348	S	31.5	Very low	33.4	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	80%	0.801	S	S	*	*			trans	-161.7	122.5	154.5	47.3	0	0	0	0	115.4
349	N	30.1	Very low	33.4	Very low	144 Å²	144	137.1 Å²	137.1	77%	0.77	80%	0.802	S	S	*	*			trans	32.7	122.4	144	-66.3	-19	0	0	0	124.2
350	F	33.8	Very low	33.2	Very low	186 Å²	186	135.5 Å²	135.5	82%	0.816	80%	0.803	S	S	*	*				39.2	141	103.5	-76.4	-63.9	0	0	0	120.7
351	P	36.3	Very low	33.4	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	81%	0.81	S	S	*	*				-153	145.6	69	40.1	-19.8	0	0	0	121.2
352	N	29.3	Very low	33.5	Very low	133 Å²	133	135.8 Å²	135.8	71%	0.711	80%	0.797	S	S	*	*				34.4	125.7	128.9	-165.1	14.9	0	0	0	122.7
353	S	36.9	Very low	34	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	80%	0.796	S	S	*	*			trans	-153.8	157.2	140.8	57.1	0	0	0	0	112.7
354	N	29.2	Very low	34.5	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	80%	0.795	S	S	*	*			trans	-89.4	142.8	-168.9	-69.7	-85.3	0	0	0	115
355	V	35.7	Very low	35.2	Very low	146 Å²	146	135 Å²	135	89%	0.885	79%	0.793	S	S	*	*			trans	-148.1	148.7	134.1	-177.5	0	0	0	0	108.8
356	K	37.2	Very low	35.7	Very low	199 Å²	199	131.3 Å²	131.3	87%	0.865	78%	0.783	S	S	*	*			trans	-107	161.1	175.6	-103.5	-165.1	173.1	-177.2	0	112.9
357	P	40.3	Very low	36.7	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	77%	0.773	S	S	*	*			trans	-106.8	177	-151.8	41.8	-39.4	0	0	0	116.3
358	L	36.2	Very low	37.5	Very low	176 Å²	176	127.9 Å²	127.9	92%	0.921	76%	0.758	S	S	*	*			trans	-151.3	120.1	172.8	-104.1	162.7	0	0	0	113.4
359	G	32.6	Very low	38.3	Very low	80 Å²	80	125.9 Å²	125.9	83%	0.825	74%	0.741	S	S	*	*			trans	83.9	135.3	143.2	0	0	0	0	0	121.9
360	G	35.7	Very low	39.4	Very low	66 Å²	66	122.1 Å²	122.1	68%	0.68	73%	0.726	S	S	*	*			trans	98.2	114.4	167.2	0	0	0	0	0	113.7
361	N	36.5	Very low	40.3	Very low	162 Å²	162	118.6 Å²	118.6	87%	0.866	72%	0.715	S	S	*	*				70.6	130.1	51.2	-58.8	6.2	0	0	0	113.2
362	S	40.8	Very low	41.4	Very low	90 Å²	90	121.9 Å²	121.9	63%	0.629	71%	0.711	S	S	*	*			cis	-166.3	179.1	-10.3	46.5	0	0	0	0	110.9
363	D	38.3	Very low	42.4	Very low	148 Å²	148	123.6 Å²	123.6	79%	0.791	71%	0.709	S	S	*	*			trans	70.9	69	152.9	-49.1	-46.5	0	0	0	122.2
364	E	42.6	Very low	43.9	Very low	175 Å²	175	122.9 Å²	122.9	82%	0.818	70%	0.695	S	S	*	*			trans	-145.4	7.3	156	-136.1	-160	140.4	0	0	117
365	S	43.1	Very low	44.9	Very low	86 Å²	86	119.8 Å²	119.8	60%	0.601	68%	0.684	S	S	*	*	H	α-helix	trans	-84.6	-12.5	-166.6	54.6	0	0	0	0	116.9	T369	S365-T369 PolarHBondContact O-OG1 2.81Å
366	S	45.1	Very low	45.7	Very low	97 Å²	97	116.5 Å²	116.5	68%	0.678	67%	0.666	S	S	*	*	H	α-helix	trans	-77.7	-39.9	-169.2	-63.8	0	0	0	0	114.6	S370	S366-S370 PolarHBondContact O-N 3.01Å
367	V	47.9	Very low	47	Very low	107 Å²	107	112.2 Å²	112.2	65%	0.648	65%	0.652	S	S	*	*	H	α-helix	trans	-73.1	-44.5	-172.5	-168	0	0	0	0	111.3	T369 S370 L371	V367-T369 VanDerWaalsContact C-N 3.32Å; V367-T369 PolarHBondContact O-N 3.12Å; V367-S370 PolarHBondContact O-N 2.82Å; V367-L371 HydrophobicContact CG1-CD1 4.45Å; V367-L371 PolarHBondContact O-N 2.85Å
368	T	49.7	Very low	48	Very low	70 Å²	70	110.3 Å²	110.3	43%	0.429	64%	0.641	S	S	.	*	H	α-helix	trans	-67.3	-30.4	179.7	53.1	0	0	0	0	112.8	R372	T368-R372 VanDerWaalsContact O-CG 3.3Å; T368-R372 WeakPolarHBondContact O-CG 3.49Å; T368-R372 PolarHBondContact O-N 3.44Å
369	T	47.4	Very low	49.4	Very low	71 Å²	71	105 Å²	105	44%	0.436	62%	0.619	S	S	.	*	H	α-helix	trans	-69.7	-42.4	174.9	-58.3	0	0	0	0	111.8	S365 V367 R372 Y373	S365-T369 PolarHBondContact O-OG1 2.81Å; V367-T369 VanDerWaalsContact C-N 3.32Å; V367-T369 PolarHBondContact O-N 3.12Å; T369-R372 PolarHBondContact O-N 2.93Å; T369-Y373 HydrophobicContact CG2-CD2 4.31Å; T369-Y373 PolarHBondContact O-N 3.3Å; T369-Y373 VanDerWaalsContact O-N 3.13Å
370	S	52.2	Low	50.9	Low	65 Å²	65	104.7 Å²	104.7	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-61.7	-46.3	178.1	-172.7	0	0	0	0	112.2	S366 V367 R372 Y373 I374	S366-S370 PolarHBondContact O-N 3.01Å; V367-S370 PolarHBondContact O-N 2.82Å; S370-R372 VanDerWaalsContact C-N 3.34Å; S370-R372 PolarHBondContact O-N 3.48Å; S370-Y373 PolarHBondContact O-N 3.25Å; S370-Y373 VanDerWaalsContact O-N 3.17Å; S370-I374 WeakPolarHBondContact O-CG1 3.39Å; S370-I374 PolarHBondContact O-N 2.96Å
371	L	52.9	Low	52.3	Low	113 Å²	113	108.4 Å²	108.4	59%	0.592	60%	0.599	S	S	*	*	H	α-helix	trans	-60.9	-38	176.6	-83	158.1	0	0	0	113.2	V367 I374 C375	V367-L371 HydrophobicContact CG1-CD1 4.45Å; V367-L371 PolarHBondContact O-N 2.85Å; L371-I374 PolarHBondContact O-N 3.42Å; L371-C375 WeakPolarHBondContact O-CB 3.46Å; L371-C375 PolarHBondContact O-N 3.3Å
372	R	59.9	Low	53.9	Low	190 Å²	190	105.5 Å²	105.5	72%	0.717	58%	0.583	S	S	*	*	H	α-helix	trans	-63.9	-42.3	174.2	-71.4	171.9	-165.8	-121.2	5.3	111.8	T368 T369 S370 C376	T368-R372 VanDerWaalsContact O-CG 3.3Å; T368-R372 WeakPolarHBondContact O-CG 3.49Å; T368-R372 PolarHBondContact O-N 3.44Å; T369-R372 PolarHBondContact O-N 2.93Å; S370-R372 VanDerWaalsContact C-N 3.34Å; S370-R372 PolarHBondContact O-N 3.48Å; R372-C376 WeakPolarHBondContact O-CB 3.38Å; R372-C376 PolarHBondContact O-N 3.37Å; R372-C376 VanDerWaalsContact O-N 3.08Å
373	Y	50.7	Low	55.2	Low	169 Å²	169	104.8 Å²	104.8	66%	0.663	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-45.8	175.1	-98.5	-85.8	0	0	0	112.3	T369 S370 C375 C376 L377	T369-Y373 HydrophobicContact CG2-CD2 4.31Å; T369-Y373 PolarHBondContact O-N 3.3Å; T369-Y373 VanDerWaalsContact O-N 3.13Å; S370-Y373 PolarHBondContact O-N 3.25Å; S370-Y373 VanDerWaalsContact O-N 3.17Å; Y373-C375 PolarHBondContact O-N 2.87Å; Y373-C376 PolarHBondContact O-N 3.42Å; Y373-L377 WeakPolarHBondContact O-CB 3.43Å; Y373-L377 VanDerWaalsContact O-CG 3.32Å; Y373-L377 WeakPolarHBondContact O-CG 3.39Å; Y373-L377 PolarHBondContact O-N 2.98Å
374	I	67.3	Low	56.6	Low	104 Å²	104	103.1 Å²	103.1	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-42.5	179.4	-68.1	166.4	0	0	0	111.3	S370 L371 L377 C378	S370-I374 WeakPolarHBondContact O-CG1 3.39Å; S370-I374 PolarHBondContact O-N 2.96Å; L371-I374 PolarHBondContact O-N 3.42Å; I374-L377 PolarHBondContact O-N 2.86Å; I374-C378 WeakPolarHBondContact O-CB 3.38Å; I374-C378 PolarHBondContact O-N 2.92Å
375	C	52	Low	57.7	Low	82 Å²	82	99.3 Å²	99.3	55%	0.554	55%	0.55	S	S	*	.	H	α-helix	trans	-64.7	-40.3	177	-170.7	0	0	0	0	112.5	L371 Y373 C378 S379	L371-C375 WeakPolarHBondContact O-CB 3.46Å; L371-C375 PolarHBondContact O-N 3.3Å; Y373-C375 PolarHBondContact O-N 2.87Å; C375-C378 PolarHBondContact O-N 3.08Å; C375-S379 WeakPolarHBondContact O-CB 3.48Å; C375-S379 PolarHBondContact O-N 3.06Å; C375-S379 PolarHBondContact O-OG 3.39Å
376	C	51.3	Low	58.9	Low	77 Å²	77	98.8 Å²	98.8	52%	0.52	54%	0.539	S	S	.	.	H	α-helix	trans	-68	-41	177.2	-166.2	0	0	0	0	112.4	R372 Y373 S379 T380	R372-C376 WeakPolarHBondContact O-CB 3.38Å; R372-C376 PolarHBondContact O-N 3.37Å; R372-C376 VanDerWaalsContact O-N 3.08Å; Y373-C376 PolarHBondContact O-N 3.42Å; C376-S379 PolarHBondContact O-N 3.15Å; C376-T380 WeakPolarHBondContact O-CG2 3.48Å; C376-T380 PolarHBondContact O-N 3.28Å; C376-T380 PolarHBondContact O-OG1 2.96Å
377	L	64.3	Low	59.7	Low	109 Å²	109	100.4 Å²	100.4	57%	0.571	53%	0.532	S	S	*	.	H	α-helix	trans	-65.1	-40.6	174.1	-72.1	171.5	0	0	0	111.9	Y373 I374 T380 F381	Y373-L377 WeakPolarHBondContact O-CB 3.43Å; Y373-L377 VanDerWaalsContact O-CG 3.32Å; Y373-L377 WeakPolarHBondContact O-CG 3.39Å; Y373-L377 PolarHBondContact O-N 2.98Å; I374-L377 PolarHBondContact O-N 2.86Å; L377-T380 WeakPolarHBondContact CA-OG1 3.32Å; L377-T380 PolarHBondContact O-N 3.42Å; L377-T380 PolarHBondContact O-OG1 3.46Å; L377-T380 VanDerWaalsContact O-OG1 3.08Å; L377-F381 WeakPolarHBondContact O-CB 3.5Å; L377-F381 PolarHBondContact O-N 2.87Å
378	C	61.4	Low	60.5	Low	79 Å²	79	98.4 Å²	98.4	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-46.1	176.3	-166.4	0	0	0	0	111.4	I374 C375 T380 F381 L382	I374-C378 WeakPolarHBondContact O-CB 3.38Å; I374-C378 PolarHBondContact O-N 2.92Å; C375-C378 PolarHBondContact O-N 3.08Å; C378-T380 PolarHBondContact O-N 3.32Å; C378-F381 PolarHBondContact O-N 3.26Å; C378-L382 PolarHBondContact O-N 3.38Å
379	S	64.8	Low	60.8	Low	65 Å²	65	102.4 Å²	102.4	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-61.3	-44	177.2	-59.7	0	0	0	0	112.5	C375 C376 L382 V383	C375-S379 WeakPolarHBondContact O-CB 3.48Å; C375-S379 PolarHBondContact O-N 3.06Å; C375-S379 PolarHBondContact O-OG 3.39Å; C376-S379 PolarHBondContact O-N 3.15Å; S379-L382 PolarHBondContact O-N 3Å; S379-V383 WeakPolarHBondContact O-CG2 3.48Å; S379-V383 PolarHBondContact O-N 3.31Å
380	T	64.5	Low	61.1	Low	74 Å²	74	105.6 Å²	105.6	45%	0.454	54%	0.542	S	S	.	.	H	α-helix	trans	-67.8	-34.9	177.8	46.1	0	0	0	0	112.5	C376 L377 C378 V383 L384	C376-T380 WeakPolarHBondContact O-CG2 3.48Å; C376-T380 PolarHBondContact O-N 3.28Å; C376-T380 PolarHBondContact O-OG1 2.96Å; L377-T380 WeakPolarHBondContact CA-OG1 3.32Å; L377-T380 PolarHBondContact O-N 3.42Å; L377-T380 PolarHBondContact O-OG1 3.46Å; L377-T380 VanDerWaalsContact O-OG1 3.08Å; C378-T380 PolarHBondContact O-N 3.32Å; T380-V383 PolarHBondContact O-N 3.42Å; T380-L384 WeakPolarHBondContact O-CB 3.46Å; T380-L384 PolarHBondContact O-N 2.9Å
381	F	65.9	Low	61.3	Low	143 Å²	143	109 Å²	109	63%	0.627	55%	0.548	S	S	*	.	H	α-helix	trans	-64.7	-41.6	172	-126.4	-91.2	0	0	0	112.4	L377 C378 L384 L385	L377-F381 WeakPolarHBondContact O-CB 3.5Å; L377-F381 PolarHBondContact O-N 2.87Å; C378-F381 PolarHBondContact O-N 3.26Å; F381-L384 PolarHBondContact O-N 3.26Å; F381-L385 HydrophobicContact CD1-CD1 4.39Å; F381-L385 WeakPolarHBondContact O-CG 3.48Å; F381-L385 PolarHBondContact O-N 2.95Å
382	L	70.1	Confident	61.1	Low	101 Å²	101	111.6 Å²	111.6	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-43	176.5	-123.6	163.7	0	0	0	111.5	C378 S379 L385 I386	C378-L382 PolarHBondContact O-N 3.38Å; S379-L382 PolarHBondContact O-N 3Å; L382-L385 PolarHBondContact O-N 3.31Å; L382-I386 HydrophobicContact CD2-CD1 3.94Å; L382-I386 HydrophobicContact CD2-CG1 4.43Å; L382-I386 WeakPolarHBondContact O-CD1 3.47Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 3.29Å
383	V	67.2	Low	60.9	Low	76 Å²	76	107 Å²	107	46%	0.461	55%	0.548	S	S	.	.	H	α-helix	trans	-60.9	-44.6	172.1	170.6	0	0	0	0	110.9	S379 T380 L385 I386 Y387	S379-V383 WeakPolarHBondContact O-CG2 3.48Å; S379-V383 PolarHBondContact O-N 3.31Å; T380-V383 PolarHBondContact O-N 3.42Å; V383-L385 PolarHBondContact O-N 2.99Å; V383-I386 PolarHBondContact O-N 3.48Å; V383-Y387 HydrophobicContact CG1-CD2 3.76Å; V383-Y387 HydrophobicContact CG1-CE2 4.02Å; V383-Y387 WeakPolarHBondContact O-CB 3.16Å; V383-Y387 WeakPolarHBondContact O-CD2 3.34Å; V383-Y387 PolarHBondContact O-N 2.86Å
384	L	67.7	Low	60.7	Low	113 Å²	113	106.3 Å²	106.3	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-59.6	-45.4	177.1	-133.6	78.9	0	0	0	111.6	T380 F381 I386 Y387 S388	T380-L384 WeakPolarHBondContact O-CB 3.46Å; T380-L384 PolarHBondContact O-N 2.9Å; F381-L384 PolarHBondContact O-N 3.26Å; L384-I386 PolarHBondContact O-N 3.36Å; L384-Y387 PolarHBondContact O-N 3.46Å; L384-S388 WeakPolarHBondContact O-CB 3.28Å; L384-S388 PolarHBondContact O-N 2.87Å; L384-S388 PolarHBondContact O-OG 2.99Å
385	L	66.9	Low	59.8	Low	94 Å²	94	107.7 Å²	107.7	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-39.7	177	-72.4	168.4	0	0	0	112.5	F381 L382 V383 K389	F381-L385 HydrophobicContact CD1-CD1 4.39Å; F381-L385 WeakPolarHBondContact O-CG 3.48Å; F381-L385 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 3.31Å; V383-L385 PolarHBondContact O-N 2.99Å; L385-K389 WeakPolarHBondContact O-CB 3.21Å; L385-K389 WeakPolarHBondContact O-CG 3.25Å; L385-K389 PolarHBondContact O-N 3.39Å
386	I	67.4	Low	59.9	Low	76 Å²	76	110.1 Å²	110.1	39%	0.39	56%	0.558	S	S	.	*	H	α-helix	trans	-66.2	-43.1	175.6	-70.1	164.1	0	0	0	110.8	L382 V383 L384 K390	L382-I386 HydrophobicContact CD2-CD1 3.94Å; L382-I386 HydrophobicContact CD2-CG1 4.43Å; L382-I386 WeakPolarHBondContact O-CD1 3.47Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 3.29Å; V383-I386 PolarHBondContact O-N 3.48Å; L384-I386 PolarHBondContact O-N 3.36Å; I386-K390 HydrophobicContact CG2-CD 4.09Å; I386-K390 WeakPolarHBondContact O-CB 3.33Å; I386-K390 WeakPolarHBondContact O-CG 3.35Å; I386-K390 PolarHBondContact O-N 3.42Å
387	Y	62.2	Low	59.5	Low	131 Å²	131	109.4 Å²	109.4	51%	0.514	56%	0.563	S	S	.	*	H	α-helix	trans	-66	-42.8	176	-94.7	-90.2	0	0	0	111.9	E110 V383 L384 K390 F391	E110-Y387 PolarHBondContact OE1-OH 3.29Å; E110-Y387 VanDerWaalsContact OE1-OH 3.05Å; V383-Y387 HydrophobicContact CG1-CD2 3.76Å; V383-Y387 HydrophobicContact CG1-CE2 4.02Å; V383-Y387 WeakPolarHBondContact O-CB 3.16Å; V383-Y387 WeakPolarHBondContact O-CD2 3.34Å; V383-Y387 PolarHBondContact O-N 2.86Å; L384-Y387 PolarHBondContact O-N 3.46Å; Y387-K390 PolarHBondContact O-N 3.22Å; Y387-F391 WeakPolarHBondContact O-CB 3.39Å; Y387-F391 PolarHBondContact O-N 3.26Å
388	S	64.3	Low	58.4	Low	64 Å²	64	109.4 Å²	109.4	45%	0.448	57%	0.568	S	S	.	*	H	α-helix	trans	-61.1	-46.7	174.9	-62.8	0	0	0	0	112.2	L384 K390 F391 Y392	L384-S388 WeakPolarHBondContact O-CB 3.28Å; L384-S388 PolarHBondContact O-N 2.87Å; L384-S388 PolarHBondContact O-OG 2.99Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 3.43Å; S388-F391 PolarHBondContact O-N 3.4Å; S388-Y392 PolarHBondContact O-N 3.17Å
389	K	56.1	Low	57.4	Low	154 Å²	154	110.5 Å²	110.5	67%	0.67	58%	0.576	S	S	*	*	H	α-helix	trans	-62	-39.6	176	-76.5	-176.8	175.8	-175.6	0	112	L385 S393	L385-K389 WeakPolarHBondContact O-CB 3.21Å; L385-K389 WeakPolarHBondContact O-CG 3.25Å; L385-K389 PolarHBondContact O-N 3.39Å; K389-S393 WeakPolarHBondContact O-CB 3.49Å; K389-S393 PolarHBondContact O-N 2.9Å; K389-S393 VanDerWaalsContact O-N 3.09Å
390	K	54.9	Low	56.3	Low	139 Å²	139	114.8 Å²	114.8	60%	0.604	59%	0.592	S	S	*	*	H	α-helix	trans	-68.5	-38.8	175.6	-75.7	175	-180	174.1	0	112.8	I386 Y387 S388 S393 F394	I386-K390 HydrophobicContact CG2-CD 4.09Å; I386-K390 WeakPolarHBondContact O-CB 3.33Å; I386-K390 WeakPolarHBondContact O-CG 3.35Å; I386-K390 PolarHBondContact O-N 3.42Å; Y387-K390 PolarHBondContact O-N 3.22Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 3.43Å; K390-S393 PolarHBondContact O-N 2.86Å; K390-F394 PolarHBondContact O-N 3.05Å
391	F	54.6	Low	55	Low	136 Å²	136	118.9 Å²	118.9	60%	0.596	61%	0.611	S	S	*	*	H	α-helix	trans	-68.3	-42.7	179.1	-156.5	-94.3	0	0	0	111.7	Y387 S388 F394 F395	Y387-F391 WeakPolarHBondContact O-CB 3.39Å; Y387-F391 PolarHBondContact O-N 3.26Å; S388-F391 PolarHBondContact O-N 3.4Å; F391-F394 PolarHBondContact O-N 3.32Å; F391-F395 HydrophobicContact CD1-CD2 4.13Å; F391-F395 AromaticContact CE1-CD2 3.6Å; F391-F395 HydrophobicContact CE1-CD2 3.6Å; F391-F395 AromaticContact CE1-CE2 3.75Å; F391-F395 HydrophobicContact CE1-CE2 3.75Å; F391-F395 AromaticContact CZ-CD2 4Å; F391-F395 HydrophobicContact CZ-CD2 4Å; F391-F395 AromaticContact CZ-CE2 3.81Å; F391-F395 HydrophobicContact CZ-CE2 3.81Å; F391-F395 PolarHBondContact O-N 3.48Å
392	Y	50.6	Low	53.9	Low	168 Å²	168	119.3 Å²	119.3	66%	0.659	62%	0.619	S	S	*	*	H	α-helix	trans	-61.5	-42.7	172.9	-105.4	-93.3	0	0	0	112.7	S388 F394 F395 I396	S388-Y392 PolarHBondContact O-N 3.17Å; Y392-F394 VanDerWaalsContact C-N 3.32Å; Y392-F394 PolarHBondContact O-N 2.87Å; Y392-F395 PolarHBondContact O-N 3.12Å; Y392-I396 HydrophobicContact CD1-CD1 4.23Å; Y392-I396 WeakPolarHBondContact O-CG1 3.44Å; Y392-I396 PolarHBondContact O-N 3.48Å
393	S	54	Low	52.3	Low	92 Å²	92	120.7 Å²	120.7	64%	0.643	63%	0.631	S	S	*	*	H	α-helix	trans	-62.5	-37.5	176.5	-174.5	0	0	0	0	112.5	K389 K390	K389-S393 WeakPolarHBondContact O-CB 3.49Å; K389-S393 PolarHBondContact O-N 2.9Å; K389-S393 VanDerWaalsContact O-N 3.09Å; K390-S393 PolarHBondContact O-N 2.86Å
394	F	47.3	Very low	51	Low	155 Å²	155	127.1 Å²	127.1	68%	0.68	65%	0.653	S	S	*	*	H	α-helix	trans	-73.3	-39.9	178.5	-164.5	-101.4	0	0	0	113	K390 F391 Y392 I396 G397	K390-F394 PolarHBondContact O-N 3.05Å; F391-F394 PolarHBondContact O-N 3.32Å; Y392-F394 VanDerWaalsContact C-N 3.32Å; Y392-F394 PolarHBondContact O-N 2.87Å; F394-I396 PolarHBondContact O-N 2.87Å; F394-G397 PolarHBondContact O-N 3.19Å
395	F	48.3	Very low	49.7	Very low	133 Å²	133	127.3 Å²	127.3	58%	0.583	66%	0.664	S	S	*	*	H	α-helix	trans	-73.2	-24.6	-175.8	-117.3	-86.8	0	0	0	114.6	F391 Y392 G397	F391-F395 HydrophobicContact CD1-CD2 4.13Å; F391-F395 AromaticContact CE1-CD2 3.6Å; F391-F395 HydrophobicContact CE1-CD2 3.6Å; F391-F395 AromaticContact CE1-CE2 3.75Å; F391-F395 HydrophobicContact CE1-CE2 3.75Å; F391-F395 AromaticContact CZ-CD2 4Å; F391-F395 HydrophobicContact CZ-CD2 4Å; F391-F395 AromaticContact CZ-CE2 3.81Å; F391-F395 HydrophobicContact CZ-CE2 3.81Å; F391-F395 PolarHBondContact O-N 3.48Å; Y392-F395 PolarHBondContact O-N 3.12Å; F395-G397 VanDerWaalsContact C-N 3.34Å
396	I	53.3	Low	48.1	Very low	134 Å²	134	132 Å²	132	69%	0.687	68%	0.684	S	S	*	*	H	α-helix	trans	-81.1	-17.3	177.2	-64.9	170.9	0	0	0	111.5	Y392 F394	Y392-I396 HydrophobicContact CD1-CD1 4.23Å; Y392-I396 WeakPolarHBondContact O-CG1 3.44Å; Y392-I396 PolarHBondContact O-N 3.48Å; F394-I396 PolarHBondContact O-N 2.87Å
397	G	44	Very low	46.8	Very low	62 Å²	62	137.2 Å²	137.2	64%	0.639	71%	0.706	S	S	*	*	S	Bend	trans	-78.8	-17	-174	0	0	0	0	0	116.8	F394 F395	F394-G397 PolarHBondContact O-N 3.19Å; F395-G397 VanDerWaalsContact C-N 3.34Å
398	T	40.5	Very low	45.9	Very low	109 Å²	109	136.2 Å²	136.2	67%	0.669	72%	0.719	S	S	*	*			trans	-148.3	90	-173	29.1	0	0	0	0	112.9
399	S	40.2	Very low	45.5	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	74%	0.736	S	S	*	*			trans	-155.2	48.8	171.1	-80.1	0	0	0	0	114.5
400	I	42.3	Very low	46.1	Very low	156 Å²	156	138.7 Å²	138.7	80%	0.8	74%	0.738	S	S	*	*			trans	-138.3	94.4	160.1	-50.3	178.4	0	0	0	111
401	N	37.6	Very low	47.1	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	74%	0.744	S	S	*	*				-161	156.2	120.6	-116.2	-83.9	0	0	0	111.8
402	I	41.7	Very low	48.2	Very low	152 Å²	152	135.5 Å²	135.5	78%	0.779	75%	0.753	S	S	*	*			trans	-102.2	154.4	-163.9	-70.3	170.6	0	0	0	111.2
403	T	37.5	Very low	49.7	Very low	130 Å²	130	132.9 Å²	132.9	80%	0.798	76%	0.757	S	S	*	*			trans	-53.1	136.1	-179.7	40.5	0	0	0	0	114.3
404	K	39.3	Very low	51.2	Low	211 Å²	211	134 Å²	134	92%	0.917	76%	0.761	S	S	*	*			trans	-131.9	155.2	146.1	-99.1	-174.3	176.1	179.2	0	110.4
405	S	40.5	Very low	52.9	Low	117 Å²	117	132.1 Å²	132.1	82%	0.818	77%	0.765	S	S	*	*			trans	-72.8	168.3	-168.2	43.3	0	0	0	0	114.1	Q407	S405-Q407 PolarHBondContact O-N 3Å
406	Q	34.2	Very low	54.5	Low	194 Å²	194	131.3 Å²	131.3	91%	0.907	77%	0.773	S	S	*	*			trans	-54.5	123.1	-178.5	-63	161.6	-58	0	0	113.1
407	Q	40.2	Very low	56.1	Low	184 Å²	184	130.4 Å²	130.4	86%	0.86	78%	0.776	S	S	*	*			trans	-155.8	158.6	145.7	-115.4	168.2	-0.7	0	0	109.5	S405 I409	S405-Q407 PolarHBondContact O-N 3Å; Q407-I409 PolarHBondContact O-N 3.03Å
408	S	43.4	Very low	58	Low	111 Å²	111	133 Å²	133	78%	0.776	78%	0.781	S	S	*	*			trans	-61.8	115.8	-176.4	50.9	0	0	0	0	111.4	P410	S408-P410 WeakPolarHBondContact O-CD 3.42Å
409	I	54.9	Low	60.1	Low	160 Å²	160	133.3 Å²	133.3	82%	0.821	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-70.4	116.8	176.8	-53.8	176.3	0	0	0	108.2	Q407	Q407-I409 PolarHBondContact O-N 3.03Å
410	P	68.2	Low	62.2	Low	110 Å²	110	134 Å²	134	71%	0.714	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.3	156.6	174.5	30.2	-34.6	0	0	0	110.5	S408	S408-P410 WeakPolarHBondContact O-CD 3.42Å
411	A	76.4	Confident	64.3	Low	88 Å²	88	132 Å²	132	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-57	144.6	176.6	0	0	0	0	0	111.2
412	P	78.7	Confident	66.5	Low	119 Å²	119	130 Å²	130	77%	0.773	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.8	141.5	177.5	26.1	-34.5	0	0	0	110.3
413	P	81.7	Confident	68.5	Low	114 Å²	114	128.2 Å²	128.2	74%	0.74	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.1	150.9	178.3	27.1	-34.7	0	0	0	110.9
414	P	85	Confident	70.6	Confident	114 Å²	114	127.5 Å²	127.5	74%	0.74	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.4	151.5	174.4	27.4	-34.9	0	0	0	110.7
415	P	82.6	Confident	72.7	Confident	117 Å²	117	123 Å²	123	76%	0.76	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60	146.7	175.2	27.1	-34.8	0	0	0	110.6
416	P	82.9	Confident	74.5	Confident	116 Å²	116	122.9 Å²	122.9	75%	0.753	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.6	150	177.2	27.2	-34.8	0	0	0	110.9
417	P	85.8	Confident	76.5	Confident	115 Å²	115	119.3 Å²	119.3	75%	0.747	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.3	151.7	174.9	27.7	-34.9	0	0	0	110.8
418	P	84.3	Confident	77.7	Confident	115 Å²	115	119.4 Å²	119.4	75%	0.747	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60.9	148.5	174.7	27.4	-34.8	0	0	0	110.7
419	P	84.2	Confident	78.5	Confident	117 Å²	117	119.9 Å²	119.9	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.8	148.3	176.3	27.4	-34.9	0	0	0	110.8
420	P	85.5	Confident	78.1	Confident	114 Å²	114	119.8 Å²	119.8	74%	0.74	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.7	150.9	176.1	27.9	-35	0	0	0	111
421	P	85.1	Confident	77.1	Confident	115 Å²	115	121.4 Å²	121.4	75%	0.747	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-62.2	149.2	175.4	27.9	-35	0	0	0	111
422	P	83.5	Confident	75.5	Confident	116 Å²	116	122.4 Å²	122.4	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62.8	147.6	176.4	27.5	-34.7	0	0	0	111
423	P	83.9	Confident	73.8	Confident	115 Å²	115	120.3 Å²	120.3	75%	0.747	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-64.9	150.7	177.9	28.2	-35.1	0	0	0	111.4
424	P	83.4	Confident	72.1	Confident	116 Å²	116	119.7 Å²	119.7	75%	0.753	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64	148.6	175.7	28.3	-35	0	0	0	111.2
425	P	81.8	Confident	70.2	Confident	117 Å²	117	124.2 Å²	124.2	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.4	145.7	177	28.1	-34.9	0	0	0	111.3
426	P	79.6	Confident	68.3	Low	113 Å²	113	124.8 Å²	124.8	73%	0.734	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67	147.8	178.4	28.6	-35	0	0	0	111.5	M428	P426-M428 PolarHBondContact O-N 3.29Å
427	P	75.2	Confident	66.2	Low	119 Å²	119	131.7 Å²	131.7	77%	0.773	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.2	177.2	28.2	-34.1	0	0	0	110.7	T429	P427-T429 PolarHBondContact O-N 3.14Å
428	M	66.5	Low	64	Low	187 Å²	187	132.1 Å²	132.1	92%	0.921	77%	0.77	S	S	*	*			trans	-70.7	111	174.2	-63	-160.3	-53.3	0	0	110.5	P426 N430	P426-M428 PolarHBondContact O-N 3.29Å; M428-N430 PolarHBondContact O-N 3.25Å
429	T	59.8	Low	61.9	Low	120 Å²	120	133.8 Å²	133.8	74%	0.736	77%	0.767	S	S	*	*			trans	-74.6	110.1	169.4	46.1	0	0	0	0	110.2	P427 I431	P427-T429 PolarHBondContact O-N 3.14Å; T429-I431 PolarHBondContact O-N 3.39Å
430	N	45.5	Very low	59.9	Low	158 Å²	158	136.2 Å²	136.2	85%	0.845	77%	0.774	S	S	*	*			trans	-70.9	115.8	175.4	-177.5	2.1	0	0	0	110.4	M428	M428-N430 PolarHBondContact O-N 3.25Å
431	I	47.5	Very low	57.5	Low	145 Å²	145	136.5 Å²	136.5	74%	0.744	77%	0.774	S	S	*	*			trans	-127	115.3	172.8	-62.5	-177.1	0	0	0	109.1	T429	T429-I431 PolarHBondContact O-N 3.39Å
432	S	44	Very low	55.5	Low	108 Å²	108	137.9 Å²	137.9	76%	0.755	78%	0.78	S	S	*	*			trans	-70.6	140.6	173	-177.6	0	0	0	0	111.2
433	G	42.7	Very low	53.2	Low	75 Å²	75	138 Å²	138	77%	0.773	78%	0.779	S	S	*	*			trans	-171.4	63.4	-173.6	0	0	0	0	0	114.8
434	S	44.6	Very low	51.1	Low	102 Å²	102	138.5 Å²	138.5	71%	0.713	78%	0.78	S	S	*	*			trans	-67.3	139.9	-179.1	-33.2	0	0	0	0	113.6
435	K	46.2	Very low	49	Very low	208 Å²	208	139.1 Å²	139.1	90%	0.904	78%	0.782	S	S	*	*				-177.2	150.8	129.2	-96.7	146.5	-166.8	173.8	0	113
436	N	41.4	Very low	46.7	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	78%	0.78	S	S	*	*			trans	-79.6	158.7	-178.1	-52	-35.3	0	0	0	112.4
437	W	39.2	Very low	44.8	Very low	261 Å²	261	140.1 Å²	140.1	99%	0.989	79%	0.785	S	S	*	*			trans	-130.6	153	142.7	-110.7	73.8	0	0	0	109.6
438	H	40.4	Very low	42.9	Very low	124 Å²	124	139.6 Å²	139.6	57%	0.574	79%	0.785	S	S	*	*			trans	-105.6	150.4	-157.7	-86.1	-125.6	0	0	0	114.6
439	Q	40.7	Very low	41.6	Very low	150 Å²	150	138.8 Å²	138.8	70%	0.701	78%	0.784	S	S	*	*			trans	36.5	135.4	134.8	-58.5	167.2	-9.5	0	0	120.1
440	N	41	Very low	40.5	Very low	168 Å²	168	141.8 Å²	141.8	90%	0.898	79%	0.787	S	S	*	*				-150.8	133.4	116.4	-104.1	-27.3	0	0	0	111.5
441	T	35.9	Very low	40.2	Very low	120 Å²	120	142 Å²	142	74%	0.736	79%	0.787	S	S	*	*			trans	-114	154.6	177.5	39.7	0	0	0	0	110.3
442	T	42.1	Very low	39.8	Very low	143 Å²	143	140.7 Å²	140.7	88%	0.877	79%	0.791	S	S	*	*			trans	-155.4	131.3	145.2	-74.4	0	0	0	0	109.4
443	T	35.9	Very low	39.5	Very low	120 Å²	120	138.8 Å²	138.8	74%	0.736	79%	0.788	S	S	*	*			trans	-101.8	156.5	172.9	-50	0	0	0	0	109.2
444	T	40.1	Very low	39.5	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	79%	0.786	S	S	*	*			trans	176.9	117.4	139.3	-78.7	0	0	0	0	113.4
445	T	37.8	Very low	39.3	Very low	128 Å²	128	144.3 Å²	144.3	79%	0.785	79%	0.794	S	S	*	*			trans	40.4	142.3	132.9	-41.8	0	0	0	0	122.8
446	A	34.3	Very low	38.9	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	79%	0.789	S	S	*	*			trans	-87.3	162.3	178.8	0	0	0	0	0	115.2
447	I	40.1	Very low	38.8	Very low	164 Å²	164	138.3 Å²	138.3	84%	0.841	80%	0.795	S	S	*	*			trans	-145.3	139.9	160	-86.7	129.1	0	0	0	108.6
448	S	34.5	Very low	39	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	78%	0.784	S	S	*	*			trans	-87.5	148.1	173.5	-53.8	0	0	0	0	111.9
449	N	38.8	Very low	39	Very low	169 Å²	169	130.7 Å²	130.7	90%	0.904	79%	0.79	S	S	*	*			trans	-161.3	172.4	144	-109.3	-35.7	0	0	0	114.1
450	K	38.5	Very low	39.1	Very low	184 Å²	184	129.5 Å²	129.5	80%	0.8	79%	0.789	S	S	*	*			trans	-141.3	142.6	-156.5	168.7	-165.7	-177	-175.7	0	109.9
451	L	39.3	Very low	39.1	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	78%	0.782	S	S	*	*			trans	177.7	150.5	143.3	-121.8	69.4	0	0	0	114.3
452	S	38	Very low	39.1	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	79%	0.786	S	S	*	*			trans	54.7	135.6	153.3	-147.8	0	0	0	0	120.1
453	G	38.1	Very low	39.1	Very low	69 Å²	69	126.8 Å²	126.8	71%	0.711	78%	0.777	S	S	*	*			cis	164.1	175.6	6.4	0	0	0	0	0	109.6
454	S	41.8	Very low	39.5	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	78%	0.78	S	S	*	*			cis	-165.6	137.5	-9.4	-79.8	0	0	0	0	112.3
455	Q	40.5	Very low	39.4	Very low	189 Å²	189	128 Å²	128	88%	0.883	78%	0.784	S	S	*	*			trans	40.4	118.8	143.3	-62.1	178.6	-31.4	0	0	124.1
456	S	39.4	Very low	39.7	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	79%	0.789	S	S	*	*				174.5	119.1	123.1	57.2	0	0	0	0	109.4
457	A	38.7	Very low	39.8	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	79%	0.794	S	S	*	*				56.3	126.8	75.6	0	0	0	0	0	113.5
458	A	43.2	Very low	39.8	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	79%	0.794	S	S	*	*			cis	-158.3	-160.2	-6.5	0	0	0	0	0	107.8
459	D	40.2	Very low	39.9	Very low	134 Å²	134	135 Å²	135	72%	0.717	80%	0.798	S	S	*	*			cis	-166.4	178	7.2	-150	-3.1	0	0	0	113
460	N	42.6	Very low	40.2	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	79%	0.79	S	S	*	*			trans	52	98.1	155.7	-62.7	-53.9	0	0	0	123.3
461	S	41.3	Very low	40.3	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	79%	0.79	S	S	*	*				30.3	127.8	112.6	-40.9	0	0	0	0	124.3
462	D	36.5	Very low	40.6	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	79%	0.79	S	S	*	*				89.2	156.7	124.7	-146.5	10.8	0	0	0	123.7
463	T	42.6	Very low	41.3	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	78%	0.783	S	S	*	*			trans	81.5	119.2	162.5	42.5	0	0	0	0	123.7
464	S	42.7	Very low	42.1	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	78%	0.775	S	S	*	*			trans	89.3	127.7	134.8	66.4	0	0	0	0	121.8
465	D	39.6	Very low	43.6	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	77%	0.771	S	S	*	*			trans	-82.1	152.1	173.7	-39.4	-104.8	0	0	0	112.8
466	Q	43.7	Very low	44.8	Very low	194 Å²	194	123.7 Å²	123.7	91%	0.907	75%	0.751	S	S	*	*			trans	-159.6	146.9	147	-125.7	169	53.3	0	0	113.4
467	D	35.8	Very low	46.5	Very low	154 Å²	154	120.3 Å²	120.3	82%	0.824	73%	0.73	S	S	*	*			trans	-65	147.5	179.3	-66.9	-81.5	0	0	0	114.1
468	S	39.9	Very low	48.4	Very low	119 Å²	119	122 Å²	122	83%	0.832	72%	0.721	S	S	*	*			trans	-155.4	120.5	142.1	37	0	0	0	0	112.1
469	I	36.5	Very low	50.2	Low	167 Å²	167	123 Å²	123	86%	0.856	71%	0.713	S	S	*	*			trans	-80.6	130.4	173.7	-64	167.8	0	0	0	108.6
470	A	46.1	Very low	52	Low	89 Å²	89	124.4 Å²	124.4	74%	0.736	71%	0.708	S	S	*	*			trans	-147.2	135.3	170.4	0	0	0	0	0	111.1	S472	A470-S472 PolarHBondContact O-N 3.39Å
471	D	40.9	Very low	53.7	Low	149 Å²	149	124.4 Å²	124.4	80%	0.797	71%	0.706	S	S	*	*			trans	-71.6	122.1	-167	-63.4	-85.5	0	0	0	115	V473	D471-V473 VanDerWaalsContact C-N 3.34Å; D471-V473 HydrophobicContact CB-CG2 4.47Å; D471-V473 PolarHBondContact O-N 2.95Å
472	S	43.6	Very low	55.5	Low	120 Å²	120	121.6 Å²	121.6	84%	0.839	69%	0.689	S	S	*	*			trans	-79.8	80.5	164.5	49	0	0	0	0	110.7	A470 S474	A470-S472 PolarHBondContact O-N 3.39Å; S472-S474 PolarHBondContact O-N 2.99Å
473	V	53	Low	57.5	Low	112 Å²	112	123.7 Å²	123.7	68%	0.679	69%	0.685	S	S	*	*			trans	-56.7	107.5	175.7	178.5	0	0	0	0	110	D471 A477	D471-V473 VanDerWaalsContact C-N 3.34Å; D471-V473 HydrophobicContact CB-CG2 4.47Å; D471-V473 PolarHBondContact O-N 2.95Å; V473-A477 HydrophobicContact CG1-CB 4.23Å
474	S	56	Low	59.3	Low	77 Å²	77	124.8 Å²	124.8	54%	0.538	68%	0.683	S	S	.	*			trans	-58.4	138.8	-174.9	177.3	0	0	0	0	112.6	S472 D476 A477	S472-S474 PolarHBondContact O-N 2.99Å; S474-D476 PolarHBondContact O-N 3.33Å; S474-A477 WeakPolarHBondContact O-CB 3.2Å; S474-A477 PolarHBondContact O-N 3.27Å
475	L	73.3	Confident	61	Low	121 Å²	121	125.9 Å²	125.9	63%	0.634	68%	0.675	S	S	*	*	H	α-helix	trans	-48.9	-31.7	176.5	-178.5	60.6	0	0	0	113	A477 Q478 L479	L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 2.84Å; L475-Q478 PolarHBondContact O-N 3.46Å; L475-L479 HydrophobicContact CD1-CD1 3.75Å; L475-L479 HydrophobicContact CG-CD1 3.87Å; L475-L479 WeakPolarHBondContact O-CD1 3.46Å; L475-L479 PolarHBondContact O-N 2.88Å
476	D	65.5	Low	62.5	Low	88 Å²	88	128.3 Å²	128.3	47%	0.471	67%	0.672	S	S	.	*	H	α-helix	trans	-60.5	-38.4	175.8	-129.2	-86.4	0	0	0	112.8	S474 R480	S474-D476 PolarHBondContact O-N 3.33Å; D476-R480 WeakPolarHBondContact O-CB 3.27Å; D476-R480 WeakPolarHBondContact O-CG 3.4Å; D476-R480 PolarHBondContact O-N 3.29Å; D476-R480 IonicContact OD1-CZ 3.15Å; D476-R480 VanDerWaalsContact OD1-CZ 3.28Å; D476-R480 IonicContact OD1-NE 3.26Å; D476-R480 PolarHBondContact OD1-NE 3.44Å; D476-R480 IonicContact OD1-NH2 2.65Å; D476-R480 PolarHBondContact OD1-NH2 2.91Å
477	A	75.1	Confident	63.5	Low	42 Å²	42	124.6 Å²	124.6	35%	0.347	66%	0.658	S	S	.	*	H	α-helix	trans	-66.9	-40.3	177.2	0	0	0	0	0	111.2	V473 S474 L475 R480 M481	V473-A477 HydrophobicContact CG1-CB 4.23Å; S474-A477 WeakPolarHBondContact O-CB 3.2Å; S474-A477 PolarHBondContact O-N 3.27Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 2.84Å; A477-R480 PolarHBondContact O-N 3.1Å; A477-M481 PolarHBondContact O-N 3.5Å
478	Q	78.9	Confident	64.7	Low	136 Å²	136	126.7 Å²	126.7	64%	0.636	65%	0.654	S	S	*	*	H	α-helix	trans	-70.7	-39	179.7	-151	166.2	23.8	0	0	111.6	L475 R480 M481 A482	L475-Q478 PolarHBondContact O-N 3.46Å; Q478-R480 PolarHBondContact O-N 3.1Å; Q478-M481 PolarHBondContact O-N 3.29Å; Q478-A482 WeakPolarHBondContact O-CB 3.3Å; Q478-A482 PolarHBondContact O-N 3.45Å
479	L	80.4	Confident	65.5	Low	111 Å²	111	124.2 Å²	124.2	58%	0.581	64%	0.641	S	S	*	*	H	α-helix	trans	-62.6	-38.8	170	-95.6	80.7	0	0	0	112.4	L475 A482 R483	L475-L479 HydrophobicContact CD1-CD1 3.75Å; L475-L479 HydrophobicContact CG-CD1 3.87Å; L475-L479 WeakPolarHBondContact O-CD1 3.46Å; L475-L479 PolarHBondContact O-N 2.88Å; L479-A482 PolarHBondContact O-N 2.93Å; L479-R483 WeakPolarHBondContact O-CB 3.41Å; L479-R483 PolarHBondContact O-N 3.49Å
480	R	77.9	Confident	66.5	Low	164 Å²	164	120.3 Å²	120.3	62%	0.619	63%	0.633	S	S	*	*	H	α-helix	trans	-64.6	-44.1	177.3	-73.9	168.8	-163	-161.2	2.5	111.9	D476 A477 Q478 R483 Q484	D476-R480 WeakPolarHBondContact O-CB 3.27Å; D476-R480 WeakPolarHBondContact O-CG 3.4Å; D476-R480 PolarHBondContact O-N 3.29Å; D476-R480 IonicContact OD1-CZ 3.15Å; D476-R480 VanDerWaalsContact OD1-CZ 3.28Å; D476-R480 IonicContact OD1-NE 3.26Å; D476-R480 PolarHBondContact OD1-NE 3.44Å; D476-R480 IonicContact OD1-NH2 2.65Å; D476-R480 PolarHBondContact OD1-NH2 2.91Å; A477-R480 PolarHBondContact O-N 3.1Å; Q478-R480 PolarHBondContact O-N 3.1Å; R480-R483 PolarHBondContact O-N 2.99Å; R480-Q484 PolarHBondContact O-N 3.08Å; R480-Q484 VanDerWaalsContact O-N 3.08Å
481	M	78.8	Confident	66.8	Low	125 Å²	125	120.6 Å²	120.6	62%	0.616	63%	0.63	S	S	*	*	H	α-helix	trans	-60.8	-48.8	174	-71.1	-166.4	-174.6	0	0	111.9	A477 Q478 R483 Q484 Q485	A477-M481 PolarHBondContact O-N 3.5Å; Q478-M481 PolarHBondContact O-N 3.29Å; M481-R483 VanDerWaalsContact C-N 3.28Å; M481-R483 PolarHBondContact O-N 3.23Å; M481-Q484 PolarHBondContact O-N 2.89Å; M481-Q485 WeakPolarHBondContact O-CG 3.4Å; M481-Q485 PolarHBondContact O-N 3.45Å
482	A	79.7	Confident	67.4	Low	50 Å²	50	118.9 Å²	118.9	41%	0.413	63%	0.625	S	S	.	*	H	α-helix	trans	-59.6	-37.5	179.1	0	0	0	0	0	112.6	Q478 L479 Q485 R486	Q478-A482 WeakPolarHBondContact O-CB 3.3Å; Q478-A482 PolarHBondContact O-N 3.45Å; L479-A482 PolarHBondContact O-N 2.93Å; A482-Q485 PolarHBondContact O-N 2.84Å; A482-R486 PolarHBondContact O-N 3.47Å; A482-R486 VanDerWaalsContact O-N 3.1Å
483	R	78.1	Confident	67.6	Low	195 Å²	195	117.9 Å²	117.9	74%	0.736	62%	0.624	S	S	*	*	H	α-helix	trans	-69.4	-38	177.4	-158.2	170	-169.8	156.9	2	112.3	L479 R480 M481 I487	L479-R483 WeakPolarHBondContact O-CB 3.41Å; L479-R483 PolarHBondContact O-N 3.49Å; R480-R483 PolarHBondContact O-N 2.99Å; M481-R483 VanDerWaalsContact C-N 3.28Å; M481-R483 PolarHBondContact O-N 3.23Å; R483-I487 WeakPolarHBondContact O-CG1 3.37Å; R483-I487 PolarHBondContact O-N 3Å
484	Q	80.2	Confident	67	Low	136 Å²	136	115.9 Å²	115.9	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-36.7	173.8	-74.7	-177.8	-19.8	0	0	112.8	R480 M481 I487 R488	R480-Q484 PolarHBondContact O-N 3.08Å; R480-Q484 VanDerWaalsContact O-N 3.08Å; M481-Q484 PolarHBondContact O-N 2.89Å; Q484-I487 PolarHBondContact O-N 2.94Å; Q484-R488 PolarHBondContact O-N 3.37Å; Q484-R488 VanDerWaalsContact O-N 3.09Å
485	Q	77.7	Confident	66.4	Low	137 Å²	137	120.6 Å²	120.6	64%	0.64	64%	0.644	S	S	*	*	H	α-helix	trans	-61.7	-44.8	173.9	-74.2	175.3	-14	0	0	111.7	M481 A482 I487 R488 A489	M481-Q485 WeakPolarHBondContact O-CG 3.4Å; M481-Q485 PolarHBondContact O-N 3.45Å; A482-Q485 PolarHBondContact O-N 2.84Å; Q485-I487 VanDerWaalsContact C-N 3.34Å; Q485-I487 PolarHBondContact O-N 2.96Å; Q485-R488 PolarHBondContact O-N 3.11Å; Q485-A489 PolarHBondContact O-N 2.86Å
486	R	70.6	Confident	64.7	Low	208 Å²	208	118.3 Å²	118.3	79%	0.785	65%	0.65	S	S	*	*	H	α-helix	trans	-59.7	-39.8	174.4	-94.9	-175.8	170.8	167.9	-2.6	113.3	A482 A489 A490	A482-R486 PolarHBondContact O-N 3.47Å; A482-R486 VanDerWaalsContact O-N 3.1Å; R486-A489 PolarHBondContact O-N 2.87Å; R486-A490 WeakPolarHBondContact O-CB 3.5Å; R486-A490 PolarHBondContact O-N 3.41Å
487	I	65.1	Low	63.4	Low	117 Å²	117	119.9 Å²	119.9	60%	0.6	67%	0.668	S	S	*	*	H	α-helix	trans	-66.5	-40	178.2	-67.9	168.9	0	0	0	111.3	R483 Q484 Q485 A490 S491	R483-I487 WeakPolarHBondContact O-CG1 3.37Å; R483-I487 PolarHBondContact O-N 3Å; Q484-I487 PolarHBondContact O-N 2.94Å; Q485-I487 VanDerWaalsContact C-N 3.34Å; Q485-I487 PolarHBondContact O-N 2.96Å; I487-A490 PolarHBondContact O-N 3.03Å; I487-S491 PolarHBondContact O-N 3.4Å
488	R	62	Low	61.7	Low	197 Å²	197	122 Å²	122	74%	0.743	68%	0.68	S	S	*	*	H	α-helix	trans	-68.6	-36.4	175	-73.8	-175.2	176	175	0	113.1	Q484 Q485 A490 S491 V492	Q484-R488 PolarHBondContact O-N 3.37Å; Q484-R488 VanDerWaalsContact O-N 3.09Å; Q485-R488 PolarHBondContact O-N 3.11Å; R488-A490 VanDerWaalsContact C-N 3.34Å; R488-S491 PolarHBondContact O-N 2.97Å; R488-S491 PolarHBondContact O-OG 3.19Å; R488-S491 VanDerWaalsContact O-OG 3.05Å; R488-V492 WeakPolarHBondContact O-CG2 3.31Å
489	A	55.9	Low	59.8	Low	68 Å²	68	122.2 Å²	122.2	56%	0.562	69%	0.685	S	S	*	*	H	α-helix	trans	-63.8	-41.1	174.3	0	0	0	0	0	111.7	Q485 R486 S491 V492	Q485-A489 PolarHBondContact O-N 2.86Å; R486-A489 PolarHBondContact O-N 2.87Å; A489-S491 PolarHBondContact O-N 3.15Å; A489-V492 PolarHBondContact O-N 3.41Å
490	A	57.2	Low	57.7	Low	84 Å²	84	126.2 Å²	126.2	69%	0.694	70%	0.698	S	S	*	*	H	α-helix	trans	-66.8	-17.8	178.8	0	0	0	0	0	114.4	R486 I487 R488	R486-A490 WeakPolarHBondContact O-CB 3.5Å; R486-A490 PolarHBondContact O-N 3.41Å; I487-A490 PolarHBondContact O-N 3.03Å; R488-A490 VanDerWaalsContact C-N 3.34Å
491	S	53.3	Low	55.8	Low	95 Å²	95	123.8 Å²	123.8	66%	0.664	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	5.3	-179.1	66.3	0	0	0	0	115.1	I487 R488 A489	I487-S491 PolarHBondContact O-N 3.4Å; R488-S491 PolarHBondContact O-N 2.97Å; R488-S491 PolarHBondContact O-OG 3.19Å; R488-S491 VanDerWaalsContact O-OG 3.05Å; A489-S491 PolarHBondContact O-N 3.15Å
492	V	54.1	Low	53.6	Low	114 Å²	114	122.4 Å²	122.4	69%	0.691	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-19.2	-173.9	176.3	0	0	0	0	113.3	R488 A489 G494	R488-V492 WeakPolarHBondContact O-CG2 3.31Å; A489-V492 PolarHBondContact O-N 3.41Å; V492-G494 PolarHBondContact O-N 2.92Å
493	A	47.9	Very low	51.5	Low	98 Å²	98	126.4 Å²	126.4	81%	0.81	72%	0.723	S	S	*	*	S	Bend	trans	-89	87.7	178.8	0	0	0	0	0	112.1
494	G	39.2	Very low	49.5	Very low	70 Å²	70	123 Å²	123	72%	0.722	72%	0.724	S	S	*	*			trans	173.6	43.8	179.1	0	0	0	0	0	117.1	V492	V492-G494 PolarHBondContact O-N 2.92Å
495	L	43.9	Very low	47.3	Very low	177 Å²	177	122.6 Å²	122.6	93%	0.927	74%	0.735	S	S	*	*			trans	-125	137.1	177.3	-68.4	172.9	0	0	0	111.6
496	G	37.8	Very low	45.2	Very low	73 Å²	73	118.9 Å²	118.9	75%	0.753	73%	0.734	S	S	*	*			trans	129.8	98.5	-174.1	0	0	0	0	0	110.2
497	S	38.3	Very low	43.7	Very low	121 Å²	121	115.2 Å²	115.2	85%	0.846	74%	0.737	S	S	*	*				80.3	122	80.7	-168	0	0	0	0	111.7
498	S	39.2	Very low	42.4	Very low	86 Å²	86	119.8 Å²	119.8	60%	0.601	75%	0.746	S	S	*	*			cis	-155.3	178.6	-2.3	52.9	0	0	0	0	111.8
499	D	37.9	Very low	41.9	Very low	140 Å²	140	115.5 Å²	115.5	75%	0.749	74%	0.742	S	S	*	*			trans	57.3	98.8	155.5	-46.8	-42.8	0	0	0	120.4
500	F	36.9	Very low	41.7	Very low	195 Å²	195	120 Å²	120	86%	0.855	75%	0.751	S	S	*	*				-167.6	156.6	92.8	-150.1	-111.6	0	0	0	113.5
501	V	38.2	Very low	41.6	Very low	114 Å²	114	119.8 Å²	119.8	69%	0.691	76%	0.758	S	S	*	*			trans	-12.4	122.8	-179.9	178.3	0	0	0	0	119.7
502	S	32.7	Very low	41.9	Very low	96 Å²	96	118.2 Å²	118.2	67%	0.671	74%	0.744	S	S	*	*			trans	-53.2	143	168.5	177.9	0	0	0	0	116.3
503	T	35.3	Very low	43.2	Very low	133 Å²	133	117 Å²	117	82%	0.816	73%	0.734	S	S	*	*				-152.5	105.2	127.4	-72.6	0	0	0	0	111.2
504	V	36.2	Very low	44.9	Very low	125 Å²	125	119.6 Å²	119.6	76%	0.758	73%	0.731	S	S	*	*			trans	39	129.9	143.6	-165.8	0	0	0	0	120.6
505	C	33	Very low	47.2	Very low	126 Å²	126	122 Å²	122	85%	0.851	73%	0.725	S	S	*	*			trans	87.3	85.6	159.1	-123.1	0	0	0	0	120.1
506	G	34.1	Very low	49.3	Very low	60 Å²	60	116.6 Å²	116.6	62%	0.619	70%	0.699	S	S	*	*			trans	65.7	117.9	132.4	0	0	0	0	0	119.9	R508	G506-R508 PolarHBondContact O-N 3.09Å
507	P	40.3	Very low	51.5	Low	130 Å²	130	116.2 Å²	116.2	84%	0.844	68%	0.68	S	S	*	*			trans	-73.2	82.1	178.6	31.5	-35.8	0	0	0	113
508	R	37.1	Very low	54.2	Low	213 Å²	213	115.3 Å²	115.3	80%	0.804	67%	0.665	S	S	*	*			trans	-104.1	69.9	163.9	-81	-174.3	167.9	-116.2	2.6	110.3	G506 H510	G506-R508 PolarHBondContact O-N 3.09Å; R508-H510 PolarHBondContact O-N 3.49Å
509	T	52.2	Low	56.7	Low	107 Å²	107	117.2 Å²	117.2	66%	0.656	66%	0.664	S	S	*	*			trans	-74.4	74.2	176.4	52.4	0	0	0	0	111.7
510	H	51.2	Low	59.2	Low	162 Å²	162	116.9 Å²	116.9	75%	0.75	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	145.8	159.8	-77.8	-100.9	0	0	0	109.7	R508	R508-H510 PolarHBondContact O-N 3.49Å
511	G	53.9	Low	61.7	Low	81 Å²	81	111.7 Å²	111.7	84%	0.835	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.1	20.3	166.7	0	0	0	0	0	117	D513	G511-D513 PolarHBondContact O-N 3.21Å
512	V	61.4	Low	64.2	Low	62 Å²	62	110.7 Å²	110.7	38%	0.376	63%	0.627	S	S	.	*			trans	-67.4	118.2	159.2	-77.6	0	0	0	0	109.5
513	D	80.4	Confident	66.9	Low	88 Å²	88	108.2 Å²	108.2	47%	0.471	61%	0.612	S	S	.	*			trans	-58.9	145.7	167.5	173.1	32	0	0	0	110.3	G511 M515 T516 D517	G511-D513 PolarHBondContact O-N 3.21Å; D513-M515 PolarHBondContact O-N 3.2Å; D513-M515 PolarHBondContact OD1-N 2.94Å; D513-M515 WeakPolarHBondContact OD2-CB 3.35Å; D513-M515 PolarHBondContact OD2-N 2.85Å; D513-T516 WeakPolarHBondContact O-CB 3.45Å; D513-T516 PolarHBondContact O-N 2.91Å; D513-D517 PolarHBondContact O-N 2.95Å
514	M	84.5	Confident	69.3	Low	152 Å²	152	104.6 Å²	104.6	75%	0.749	60%	0.596	S	S	*	*	H	α-helix	trans	-60	-26.3	177.5	-62.9	-166.1	-60.9	0	0	111.8	L518	M514-L518 WeakPolarHBondContact O-CB 3.41Å; M514-L518 PolarHBondContact O-N 3.02Å
515	M	87	Confident	71.9	Confident	122 Å²	122	108 Å²	108	60%	0.601	60%	0.595	S	S	*	*	H	α-helix	trans	-67.8	-40.7	173	-155.7	-177.4	-52.8	0	0	112.1	D513 Q519	D513-M515 PolarHBondContact O-N 3.2Å; D513-M515 PolarHBondContact OD1-N 2.94Å; D513-M515 WeakPolarHBondContact OD2-CB 3.35Å; D513-M515 PolarHBondContact OD2-N 2.85Å; M515-Q519 WeakPolarHBondContact O-CB 3.27Å; M515-Q519 WeakPolarHBondContact O-CG 3.38Å; M515-Q519 PolarHBondContact O-N 3.37Å
516	T	87.1	Confident	74.5	Confident	62 Å²	62	110 Å²	110	38%	0.38	59%	0.585	S	S	.	*	H	α-helix	trans	-65.3	-42.6	175.1	-60	0	0	0	0	111.4	D513 Q519 R520	D513-T516 WeakPolarHBondContact O-CB 3.45Å; D513-T516 PolarHBondContact O-N 2.91Å; T516-Q519 PolarHBondContact O-N 3.16Å; T516-R520 WeakPolarHBondContact O-CB 3.36Å; T516-R520 PolarHBondContact O-N 2.85Å
517	D	85.3	Confident	76.8	Confident	66 Å²	66	116 Å²	116	35%	0.353	59%	0.588	S	S	.	*	H	α-helix	trans	-74	-34.1	179.9	-145.5	47.3	0	0	0	111.8	D513 R520 V521	D513-D517 PolarHBondContact O-N 2.95Å; D517-R520 WeakPolarHBondContact O-CB 3.29Å; D517-R520 PolarHBondContact O-N 2.82Å; D517-R520 IonicContact OD1-CZ 2.75Å; D517-R520 IonicContact OD1-NE 2.97Å; D517-R520 IonicContact OD1-NH1 3.32Å; D517-R520 PolarHBondContact OD1-NH1 3.25Å; D517-V521 WeakPolarHBondContact O-CG2 3.34Å; D517-V521 PolarHBondContact O-N 2.81Å
518	L	93.4	Very high	78.7	Confident	102 Å²	102	112.7 Å²	112.7	53%	0.534	57%	0.572	S	S	.	*	H	α-helix	trans	-62.1	-44.5	168.8	-178.7	66.1	0	0	0	111.8	M514 R520 V521 L522	M514-L518 WeakPolarHBondContact O-CB 3.41Å; M514-L518 PolarHBondContact O-N 3.02Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 3.34Å; L518-V521 PolarHBondContact O-N 3.48Å; L518-L522 HydrophobicContact CD1-CD1 4.26Å; L518-L522 HydrophobicContact CD1-CG 4.32Å; L518-L522 HydrophobicContact CG-CD1 3.98Å; L518-L522 HydrophobicContact CG-CG 4.44Å; L518-L522 WeakPolarHBondContact O-CB 3.35Å; L518-L522 VanDerWaalsContact O-CG 3.26Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 2.76Å
519	Q	93.2	Very high	80.7	Confident	126 Å²	126	108.9 Å²	108.9	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-58.9	-42.8	173.2	-79	178.4	-5.3	0	0	111.6	M515 T516 L522 A523	M515-Q519 WeakPolarHBondContact O-CB 3.27Å; M515-Q519 WeakPolarHBondContact O-CG 3.38Å; M515-Q519 PolarHBondContact O-N 3.37Å; T516-Q519 PolarHBondContact O-N 3.16Å; Q519-L522 PolarHBondContact O-N 3.16Å; Q519-A523 WeakPolarHBondContact O-CB 3.32Å; Q519-A523 PolarHBondContact O-N 2.96Å
520	R	90	Very high	81.7	Confident	132 Å²	132	109.9 Å²	109.9	50%	0.498	56%	0.559	S	S	.	*	H	α-helix	trans	-62.3	-45.8	177.1	-173.5	-174.1	-68.8	157.8	-10.5	112	T516 D517 L518 A523 A524	T516-R520 WeakPolarHBondContact O-CB 3.36Å; T516-R520 PolarHBondContact O-N 2.85Å; D517-R520 WeakPolarHBondContact O-CB 3.29Å; D517-R520 PolarHBondContact O-N 2.82Å; D517-R520 IonicContact OD1-CZ 2.75Å; D517-R520 IonicContact OD1-NE 2.97Å; D517-R520 IonicContact OD1-NH1 3.32Å; D517-R520 PolarHBondContact OD1-NH1 3.25Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 3.34Å; R520-A523 PolarHBondContact O-N 3.17Å; R520-A524 WeakPolarHBondContact O-CB 3.5Å; R520-A524 PolarHBondContact O-N 3.38Å
521	V	88.6	Confident	82.7	Confident	86 Å²	86	105.9 Å²	105.9	52%	0.521	55%	0.554	S	S	.	*	H	α-helix	trans	-65.6	-41.6	176.3	170.2	0	0	0	0	111.6	D517 L518 A524 R525	D517-V521 WeakPolarHBondContact O-CG2 3.34Å; D517-V521 PolarHBondContact O-N 2.81Å; L518-V521 PolarHBondContact O-N 3.48Å; V521-A524 PolarHBondContact O-N 3.27Å; V521-R525 WeakPolarHBondContact O-CB 3.39Å; V521-R525 PolarHBondContact O-N 3.38Å
522	L	91	Very high	83.3	Confident	93 Å²	93	110.5 Å²	110.5	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-38.4	176.2	-72.9	172.1	0	0	0	112.2	L518 Q519 R525 R526	L518-L522 HydrophobicContact CD1-CD1 4.26Å; L518-L522 HydrophobicContact CD1-CG 4.32Å; L518-L522 HydrophobicContact CG-CD1 3.98Å; L518-L522 HydrophobicContact CG-CG 4.44Å; L518-L522 WeakPolarHBondContact O-CB 3.35Å; L518-L522 VanDerWaalsContact O-CG 3.26Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 2.76Å; Q519-L522 PolarHBondContact O-N 3.16Å; L522-R525 PolarHBondContact O-N 3.47Å; L522-R526 WeakPolarHBondContact O-CB 3.29Å; L522-R526 PolarHBondContact O-N 3.45Å
523	A	89.1	Confident	83.3	Confident	44 Å²	44	113.9 Å²	113.9	36%	0.364	57%	0.565	S	S	.	*	H	α-helix	trans	-66.1	-42.2	174.3	0	0	0	0	0	111.9	Q519 R520 R526 R527	Q519-A523 WeakPolarHBondContact O-CB 3.32Å; Q519-A523 PolarHBondContact O-N 2.96Å; R520-A523 PolarHBondContact O-N 3.17Å; A523-R526 PolarHBondContact O-N 3.02Å; A523-R527 PolarHBondContact O-N 3.32Å; A523-R527 VanDerWaalsContact O-N 3.1Å
524	A	87.2	Confident	81.8	Confident	57 Å²	57	117.2 Å²	117.2	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-44.5	174	0	0	0	0	0	111.9	R520 V521 R526 R527 A528	R520-A524 WeakPolarHBondContact O-CB 3.5Å; R520-A524 PolarHBondContact O-N 3.38Å; V521-A524 PolarHBondContact O-N 3.27Å; A524-R526 VanDerWaalsContact C-N 3.3Å; A524-R526 PolarHBondContact O-N 3.46Å; A524-R527 PolarHBondContact O-N 3.29Å; A524-A528 WeakPolarHBondContact O-CB 3.4Å; A524-A528 PolarHBondContact O-N 2.95Å
525	R	89.4	Confident	80.1	Confident	198 Å²	198	116.3 Å²	116.3	75%	0.747	59%	0.589	S	S	*	*	H	α-helix	trans	-66.8	-29.3	177.5	-165.7	172.5	-172.4	166	3	113	V521 L522 K529	V521-R525 WeakPolarHBondContact O-CB 3.39Å; V521-R525 PolarHBondContact O-N 3.38Å; L522-R525 PolarHBondContact O-N 3.47Å; R525-K529 PolarHBondContact O-N 2.92Å
526	R	88.3	Confident	78	Confident	167 Å²	167	117.8 Å²	117.8	63%	0.63	60%	0.599	S	S	*	*	H	α-helix	trans	-69.5	-51.3	174.7	-148.5	-176.7	-63.9	-165.2	-1.3	111.2	L522 A523 A524 A528 K529 E530	L522-R526 WeakPolarHBondContact O-CB 3.29Å; L522-R526 PolarHBondContact O-N 3.45Å; A523-R526 PolarHBondContact O-N 3.02Å; A524-R526 VanDerWaalsContact C-N 3.3Å; A524-R526 PolarHBondContact O-N 3.46Å; R526-A528 VanDerWaalsContact C-N 3.25Å; R526-A528 PolarHBondContact O-N 3.13Å; R526-K529 PolarHBondContact O-N 3.08Å; R526-E530 WeakPolarHBondContact CG-OE1 3.37Å; R526-E530 WeakPolarHBondContact O-CG 3.46Å; R526-E530 PolarHBondContact O-N 3.02Å
527	R	83	Confident	75.7	Confident	185 Å²	185	119.5 Å²	119.5	70%	0.698	62%	0.619	S	S	*	*	H	α-helix	trans	-57.6	-36	173.5	-70.3	178.6	-178	163.2	0	113.1	A523 A524 E530 A531	A523-R527 PolarHBondContact O-N 3.32Å; A523-R527 VanDerWaalsContact O-N 3.1Å; A524-R527 PolarHBondContact O-N 3.29Å; R527-E530 PolarHBondContact O-N 2.89Å; R527-A531 WeakPolarHBondContact O-CB 3.31Å; R527-A531 PolarHBondContact O-N 3.35Å
528	A	78.6	Confident	73.6	Confident	61 Å²	61	122.9 Å²	122.9	50%	0.504	64%	0.642	S	S	.	*	H	α-helix	trans	-67.6	-32.9	175.6	0	0	0	0	0	112.8	A524 R526	A524-A528 WeakPolarHBondContact O-CB 3.4Å; A524-A528 PolarHBondContact O-N 2.95Å; R526-A528 VanDerWaalsContact C-N 3.25Å; R526-A528 PolarHBondContact O-N 3.13Å
529	K	80	Confident	71	Confident	133 Å²	133	124.4 Å²	124.4	58%	0.578	66%	0.656	S	S	*	*	H	α-helix	trans	-74.9	-36.6	173	-166.8	-174.1	178.7	-71	0	111.9	R525 R526 A531 E533	R525-K529 PolarHBondContact O-N 2.92Å; R526-K529 PolarHBondContact O-N 3.08Å; K529-A531 PolarHBondContact O-N 3.14Å; K529-A531 VanDerWaalsContact O-N 3.09Å; K529-E533 IonicContact NZ-OE1 3.42Å; K529-E533 PolarHBondContact NZ-OE1 3.22Å
530	E	72.9	Confident	68.5	Low	129 Å²	129	124 Å²	124	60%	0.603	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-1	175.3	-67.9	157.7	-170.3	0	0	113.4	R526 R527	R526-E530 WeakPolarHBondContact CG-OE1 3.37Å; R526-E530 WeakPolarHBondContact O-CG 3.46Å; R526-E530 PolarHBondContact O-N 3.02Å; R527-E530 PolarHBondContact O-N 2.89Å
531	A	72.3	Confident	66.1	Low	77 Å²	77	123.6 Å²	123.6	64%	0.636	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	2.9	-176.7	0	0	0	0	0	115.2	R527 K529	R527-A531 WeakPolarHBondContact O-CB 3.31Å; R527-A531 PolarHBondContact O-N 3.35Å; K529-A531 PolarHBondContact O-N 3.14Å; K529-A531 VanDerWaalsContact O-N 3.09Å
532	E	66.2	Low	63.6	Low	178 Å²	178	126.7 Å²	126.7	83%	0.832	69%	0.692	S	S	*	*	S	Bend	trans	-116	7.6	175.5	-71.2	-163.2	151.9	0	0	113.9
533	E	61.4	Low	61	Low	133 Å²	133	127.7 Å²	127.7	62%	0.621	71%	0.706	S	S	*	*	S	Bend	trans	-98	142.3	171.3	-70.5	171	-166.4	0	0	110	K529	K529-E533 IonicContact NZ-OE1 3.42Å; K529-E533 PolarHBondContact NZ-OE1 3.22Å
534	D	49.6	Very low	58.3	Low	158 Å²	158	132.1 Å²	132.1	85%	0.845	73%	0.729	S	S	*	*			trans	61.7	80.1	-179.9	-66.7	-20.6	0	0	0	120.7	N536	D534-N536 PolarHBondContact O-N 3.23Å
535	P	48.9	Very low	56	Low	134 Å²	134	135.5 Å²	135.5	87%	0.87	75%	0.746	S	S	*	*			trans	-92.1	35.3	169	38.4	-36.5	0	0	0	114.9
536	N	41.9	Very low	53.4	Low	152 Å²	152	131 Å²	131	81%	0.813	75%	0.745	S	S	*	*			trans	-157.7	82.7	177.3	-172.4	28	0	0	0	116.5	D534	D534-N536 PolarHBondContact O-N 3.23Å
537	A	40.1	Very low	51.1	Low	98 Å²	98	130.8 Å²	130.8	81%	0.81	76%	0.756	S	S	*	*			trans	-162.6	62.4	164.4	0	0	0	0	0	115.7
538	T	40.3	Very low	48.9	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	76%	0.76	S	S	*	*			trans	-140.9	81.7	168.6	-48	0	0	0	0	113
539	T	40.1	Very low	46.9	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	78%	0.778	S	S	*	*			trans	174.8	101.5	145.9	-75.3	0	0	0	0	109.5
540	S	38.9	Very low	44.8	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	78%	0.783	S	S	*	*			trans	-174	135.1	140	24.1	0	0	0	0	112.9
541	V	39.6	Very low	43.1	Very low	122 Å²	122	131.6 Å²	131.6	74%	0.739	80%	0.795	S	S	*	*			trans	-42.4	139.8	175.8	-75.9	0	0	0	0	119
542	I	35.8	Very low	41.5	Very low	152 Å²	152	132.1 Å²	132.1	78%	0.779	79%	0.794	S	S	*	*				45.9	111.2	126.1	-49	163.8	0	0	0	118
543	S	38	Very low	40.2	Very low	114 Å²	114	129.4 Å²	129.4	80%	0.797	79%	0.79	S	S	*	*				-179.8	136.3	120.8	-78.8	0	0	0	0	112.4
544	T	31.6	Very low	39.1	Very low	136 Å²	136	128.7 Å²	128.7	83%	0.834	79%	0.794	S	S	*	*			trans	-90.8	154.9	159.2	46.1	0	0	0	0	109.5
545	P	40	Very low	38.7	Very low	129 Å²	129	127 Å²	127	84%	0.838	79%	0.789	S	S	*	*				-145.8	164.6	102.8	38.5	-24.4	0	0	0	114.7
546	S	34.7	Very low	38.3	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	79%	0.787	S	S	*	*			trans	-99.1	148.3	165.6	52.2	0	0	0	0	110.5
547	N	38.8	Very low	38.2	Very low	161 Å²	161	126.2 Å²	126.2	86%	0.861	79%	0.787	S	S	*	*			trans	-168.7	159.7	141.4	-109.6	-33.9	0	0	0	113.4
548	N	36.3	Very low	38.4	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	78%	0.779	S	S	*	*			trans	-93.6	163.7	-178.4	-44.2	-61	0	0	0	111.7
549	T	37.3	Very low	38.4	Very low	142 Å²	142	126.3 Å²	126.3	87%	0.871	78%	0.776	S	S	*	*				175.9	156.4	125.9	-74	0	0	0	0	111.4
550	S	37.2	Very low	38.6	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	77%	0.773	S	S	*	*			trans	-92.5	-168.1	-166.7	-45.9	0	0	0	0	115.1
551	T	36.8	Very low	38.8	Very low	137 Å²	137	128 Å²	128	84%	0.84	77%	0.771	S	S	*	*			trans	74.2	149.2	159.3	53	0	0	0	0	118.6
552	S	38.1	Very low	38.9	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	77%	0.774	S	S	*	*			cis	-172.3	158.2	-16.1	173.2	0	0	0	0	111.4
553	T	39	Very low	39.6	Very low	122 Å²	122	127.1 Å²	127.1	75%	0.748	77%	0.769	S	S	*	*			trans	67	159.2	153.8	31.6	0	0	0	0	118
554	T	38.6	Very low	39.6	Very low	117 Å²	117	128.2 Å²	128.2	72%	0.718	77%	0.77	S	S	*	*			cis	-153.2	143.6	17.2	-17.4	0	0	0	0	114
555	V	40.3	Very low	40	Very low	122 Å²	122	125.6 Å²	125.6	74%	0.739	76%	0.762	S	S	*	*			trans	20.2	145.5	155.8	-60.6	0	0	0	0	125.1
556	S	41.3	Very low	40.2	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	76%	0.762	S	S	*	*				-167.5	115.1	120.4	-79.7	0	0	0	0	114.5
557	N	38.9	Very low	40.6	Very low	153 Å²	153	126.4 Å²	126.4	82%	0.818	77%	0.766	S	S	*	*			trans	9.5	153.7	140.1	-67.3	7.3	0	0	0	121.6
558	S	45.2	Very low	41.3	Very low	92 Å²	92	124.2 Å²	124.2	64%	0.643	76%	0.76	S	S	*	*			cis	-172.9	144.1	1.4	41.8	0	0	0	0	114.9
559	N	39.2	Very low	41.6	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	76%	0.759	S	S	*	*			trans	55.4	163.2	136.2	-54.5	-0.9	0	0	0	124.3
560	N	45.5	Very low	41.9	Very low	140 Å²	140	127.5 Å²	127.5	75%	0.749	76%	0.759	S	S	*	*			trans	78.6	140.5	169.9	-53.1	17	0	0	0	116.4
561	D	42	Very low	42.2	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	75%	0.754	S	S	*	*			cis	-160	175.1	-18	-105.1	-41.9	0	0	0	111.4
562	L	42.2	Very low	42.5	Very low	155 Å²	155	128.5 Å²	128.5	81%	0.812	75%	0.752	S	S	*	*			trans	-149.7	169.8	-170.6	-179.2	68.3	0	0	0	109.2
563	P	50	Low	42.6	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	75%	0.754	S	S	*	*			cis	-113.7	-162.1	-30.3	30.1	-9.8	0	0	0	111.5
564	T	39.2	Very low	42.8	Very low	136 Å²	136	129.1 Å²	129.1	83%	0.834	76%	0.756	S	S	*	*				176.9	155.9	120.6	-72.6	0	0	0	0	111.4
565	A	40.1	Very low	42.9	Very low	81 Å²	81	128.4 Å²	128.4	67%	0.669	75%	0.751	S	S	*	*			trans	-104	166.1	-174.9	0	0	0	0	0	114.2
566	T	42.6	Very low	42.9	Very low	136 Å²	136	128.3 Å²	128.3	83%	0.834	75%	0.751	S	S	*	*			trans	-173.1	137.5	132.4	15.5	0	0	0	0	116.1
567	S	43.7	Very low	42.8	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	75%	0.749	S	S	*	*			trans	75.6	153.8	144.5	-59.8	0	0	0	0	123.1
568	P	52.7	Low	42.6	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	74%	0.743	S	S	*	*			trans	-130.5	-165.6	-165.6	41.6	-21.9	0	0	0	114.4
569	V	42.9	Very low	42.3	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	76%	0.757	S	S	*	*			trans	160.2	131.9	135.7	155.7	0	0	0	0	114.1
570	R	44.7	Very low	42.2	Very low	232 Å²	232	134.2 Å²	134.2	88%	0.875	76%	0.762	S	S	*	*			trans	37.4	141.6	154.1	-76.5	178.6	159.1	160.8	-7	121.4
571	S	43.2	Very low	41.8	Very low	83 Å²	83	130.7 Å²	130.7	58%	0.58	76%	0.759	S	S	*	*			cis	-161.6	-176.7	3.8	-82.7	0	0	0	0	107.8
572	H	42.2	Very low	41.8	Very low	175 Å²	175	132.1 Å²	132.1	81%	0.81	76%	0.761	S	S	*	*			cis	-126.7	-157.5	9.4	-71.1	-100.8	0	0	0	109.3
573	S	41.5	Very low	41.6	Very low	94 Å²	94	131.2 Å²	131.2	66%	0.657	76%	0.757	S	S	*	*			cis	64.8	146.9	21.1	-118.6	0	0	0	0	116.4
574	V	43.7	Very low	41.3	Very low	129 Å²	129	131.3 Å²	131.3	78%	0.782	76%	0.761	S	S	*	*			cis	-126.7	125	2.7	167.9	0	0	0	0	106.2
575	V	40.2	Very low	41.4	Very low	102 Å²	102	129.2 Å²	129.2	62%	0.618	75%	0.751	S	S	*	*			cis	100	121.7	49.4	164.3	0	0	0	0	112.8
576	T	40.9	Very low	41.6	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	76%	0.755	S	S	*	*			trans	64.9	155.7	168.1	55.8	0	0	0	0	118.8
577	N	38.1	Very low	41.5	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	75%	0.75	S	S	*	*			cis	-150.2	163.2	-4.2	-125.1	-7.8	0	0	0	111.3
578	A	34.8	Very low	41.4	Very low	86 Å²	86	131 Å²	131	71%	0.711	74%	0.744	S	S	*	*			trans	-112.4	135	164.2	0	0	0	0	0	109.9
579	F	39.5	Very low	40.8	Very low	213 Å²	213	130.1 Å²	130.1	93%	0.934	74%	0.741	S	S	*	*			trans	-155.3	168.5	166.9	-118.5	-80.1	0	0	0	112.4
580	Q	36.3	Very low	40.8	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	74%	0.743	S	S	*	*			trans	-126.7	148	-162.8	-179.5	-178.8	7.4	0	0	112.1
581	G	37.6	Very low	40.8	Very low	67 Å²	67	124 Å²	124	69%	0.691	74%	0.739	S	S	*	*			trans	106.1	160.3	175.6	0	0	0	0	0	113
582	Q	41.2	Very low	40.7	Very low	178 Å²	178	126.9 Å²	126.9	83%	0.832	75%	0.747	S	S	*	*			cis	177.2	162.9	-18.5	-125.2	-173.4	5.1	0	0	105.3
583	N	38.8	Very low	40.9	Very low	135 Å²	135	125.5 Å²	125.5	72%	0.722	75%	0.75	S	S	*	*			trans	69.4	121.2	162.6	-75.2	-4.8	0	0	0	121.7
584	S	42.9	Very low	40.7	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	75%	0.754	S	S	*	*				75.3	143.7	123.6	-60.5	0	0	0	0	120.6
585	S	41.4	Very low	40.7	Very low	91 Å²	91	123.3 Å²	123.3	64%	0.636	75%	0.748	S	S	*	*			cis	-173.6	175.1	-8.8	45.9	0	0	0	0	111.4
586	T	44.8	Very low	41	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	76%	0.762	S	S	*	*			trans	74.7	142.8	167.4	72	0	0	0	0	116
587	N	40.6	Very low	41.1	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	76%	0.761	S	S	*	*			cis	-165.2	161.8	-3.5	-107.6	6.3	0	0	0	107.7
588	T	41.5	Very low	41.6	Very low	111 Å²	111	127.5 Å²	127.5	68%	0.681	76%	0.764	S	S	*	*			cis	-160.8	169.7	-1.6	2.8	0	0	0	0	110.4
589	S	40.2	Very low	41.8	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	77%	0.767	S	S	*	*			trans	33.9	126.4	144.4	-51.4	0	0	0	0	121.8
590	S	42.2	Very low	41.9	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	77%	0.765	S	S	*	*				66.2	145.1	55.9	87.1	0	0	0	0	114.1
591	S	45.1	Very low	42.1	Very low	115 Å²	115	131.7 Å²	131.7	80%	0.804	76%	0.762	S	S	*	*			cis	-152.7	169.6	25.8	-168.4	0	0	0	0	115.2
592	I	41.7	Very low	42.3	Very low	144 Å²	144	134.7 Å²	134.7	74%	0.738	77%	0.767	S	S	*	*			trans	-71.7	139.6	174.9	-64.6	154	0	0	0	112.7
593	V	44.9	Very low	42.2	Very low	145 Å²	145	131.9 Å²	131.9	88%	0.879	77%	0.767	S	S	*	*			trans	-150.5	128.9	142.2	-170.6	0	0	0	0	109.9
594	P	39	Very low	42	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	77%	0.77	S	S	*	*			trans	-114.9	152.4	173.2	38.1	-28.5	0	0	0	114
595	G	44.1	Very low	42.1	Very low	64 Å²	64	131.9 Å²	131.9	66%	0.66	78%	0.775	S	S	*	*			trans	-174.6	130.6	170.3	0	0	0	0	0	115.4
596	Y	44.5	Very low	41.9	Very low	232 Å²	232	132 Å²	132	91%	0.91	78%	0.781	S	S	*	*			trans	47.4	97.5	161.1	-55.4	-80.2	0	0	0	118.3
597	A	44.4	Very low	41.6	Very low	87 Å²	87	134.2 Å²	134.2	72%	0.719	79%	0.787	S	S	*	*				75	114.2	92.2	0	0	0	0	0	114.6
598	T	47.5	Very low	41.1	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	79%	0.788	S	S	*	*				-160.1	169.4	79.3	24.3	0	0	0	0	114.9
599	L	40.1	Very low	41	Very low	147 Å²	147	133.8 Å²	133.8	77%	0.77	79%	0.788	S	S	*	*			trans	-47.1	156.4	-178.1	-56.1	111.2	0	0	0	114.9
600	R	41.9	Very low	40.9	Very low	237 Å²	237	135.6 Å²	135.6	89%	0.894	80%	0.796	S	S	*	*			cis	-149.8	133.4	44.4	-57	164.5	-156.9	-159.8	2	109.1
601	K	39.4	Very low	40.6	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	79%	0.787	S	S	*	*				59.3	120.2	75.1	-171.8	172.1	-177.2	177.2	0	112.3
602	V	42.3	Very low	40.4	Very low	131 Å²	131	135.8 Å²	135.8	79%	0.794	79%	0.786	S	S	*	*			cis	-118.7	170.1	15.4	-70.5	0	0	0	0	114.3
603	S	39.3	Very low	40.2	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	78%	0.784	S	S	*	*			trans	-115.9	150.7	-171.1	-50.3	0	0	0	0	114.2
604	S	35.5	Very low	39.7	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-80	154.5	161.2	-47.1	0	0	0	0	111.5
605	P	44	Very low	39.7	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-82.3	123.9	154.7	32.6	-28.1	0	0	0	109.5
606	A	37.2	Very low	39.1	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.9	145.7	165.6	0	0	0	0	0	109.6
607	L	38.9	Very low	38.8	Very low	168 Å²	168	134.2 Å²	134.2	88%	0.88	78%	0.784	S	S	*	*			trans	-134.4	91	162.5	-74.5	178.2	0	0	0	108.5
608	D	30.2	Very low	38.2	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	79%	0.786	S	S	*	*			trans	-93.8	132.4	151.6	-177.2	5	0	0	0	106.9
609	S	37.9	Very low	37.4	Very low	98 Å²	98	134.2 Å²	134.2	69%	0.685	78%	0.783	S	S	*	*			trans	-159.4	79.9	-176.8	-75.8	0	0	0	0	109.6	A611	S609-A611 PolarHBondContact O-N 3.01Å; S609-A611 VanDerWaalsContact O-N 3.12Å
610	T	38.5	Very low	36.8	Very low	136 Å²	136	132.3 Å²	132.3	83%	0.834	78%	0.782	S	S	*	*			trans	-65.7	104.4	173.1	-64.1	0	0	0	0	110.4
611	A	36.4	Very low	36.3	Very low	72 Å²	72	127.1 Å²	127.1	60%	0.595	78%	0.777	S	S	*	*			trans	-159.2	159.1	169.8	0	0	0	0	0	112.6	S609	S609-A611 PolarHBondContact O-N 3.01Å; S609-A611 VanDerWaalsContact O-N 3.12Å
612	M	40.3	Very low	36.1	Very low	159 Å²	159	125 Å²	125	78%	0.783	78%	0.775	S	S	*	*			trans	67.1	92	171.4	-45.6	-48.7	169.9	0	0	115.2
613	N	37.6	Very low	35.8	Very low	133 Å²	133	126.2 Å²	126.2	71%	0.711	78%	0.777	S	S	*	*				78.5	95.3	77	-72.1	-8.5	0	0	0	114.3	L615	N613-L615 PolarHBondContact O-N 3.27Å
614	S	34.6	Very low	35.7	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	77%	0.774	S	S	*	*			trans	10.2	106.9	132	56.4	0	0	0	0	117.8
615	L	38.4	Very low	35.8	Very low	171 Å²	171	128.1 Å²	128.1	90%	0.895	78%	0.777	S	S	*	*			trans	-130.4	90	154.2	-98.6	168.4	0	0	0	109.7	N613	N613-L615 PolarHBondContact O-N 3.27Å
616	S	33.1	Very low	35.4	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	78%	0.782	S	S	*	*			trans	-86.1	121.8	172.6	52.4	0	0	0	0	110.9
617	N	37.1	Very low	35.4	Very low	150 Å²	150	126.9 Å²	126.9	80%	0.802	78%	0.776	S	S	*	*			trans	-156.4	117.6	161.5	-87.9	-31.7	0	0	0	106.3
618	S	32.4	Very low	35.6	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	77%	0.771	S	S	*	*			cis	82	51.3	17.2	-148.3	0	0	0	0	116.8
619	C	29.7	Very low	36.7	Very low	114 Å²	114	123.9 Å²	123.9	77%	0.77	77%	0.774	S	S	*	*			trans	-149.5	129.6	142.2	52.5	0	0	0	0	106.8
620	S	27.3	Very low	37.6	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	77%	0.769	S	S	*	*			cis	63.7	89.6	40.2	-53.8	0	0	0	0	112.9
621	T	32.4	Very low	39.2	Very low	128 Å²	128	122.1 Å²	122.1	79%	0.785	76%	0.76	S	S	*	*			trans	-170.5	128.2	144.9	-78.6	0	0	0	0	111.3
622	N	35.5	Very low	41.3	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	76%	0.755	S	S	*	*			trans	45.6	104.8	156.2	-58	-7.3	0	0	0	122.1	S624	N622-S624 PolarHBondContact O-N 2.87Å
623	N	35.8	Very low	43.3	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	75%	0.752	S	S	*	*			trans	-33.1	121.1	133.2	167.8	43.5	0	0	0	113.9
624	S	37.4	Very low	45.7	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	74%	0.743	S	S	*	*			trans	-166	151.4	156.1	-85.7	0	0	0	0	113.4	N622	N622-S624 PolarHBondContact O-N 2.87Å
625	N	36.3	Very low	48.2	Very low	158 Å²	158	120.2 Å²	120.2	85%	0.845	73%	0.728	S	S	*	*			trans	-52.3	160.8	-171	-76	-26.3	0	0	0	119.6
626	S	35.4	Very low	50.4	Low	134 Å²	134	117 Å²	117	94%	0.937	71%	0.712	S	S	*	*			trans	83.3	153.7	148.7	-153.1	0	0	0	0	118.3
627	G	37.4	Very low	53	Low	62 Å²	62	116.2 Å²	116.2	64%	0.639	70%	0.697	S	S	*	*			trans	124.5	29.1	-179.4	0	0	0	0	0	116.6	T629	G627-T629 PolarHBondContact O-N 2.82Å
628	S	44.1	Very low	55.5	Low	109 Å²	109	111.1 Å²	111.1	76%	0.762	68%	0.675	S	S	*	*			trans	-71.9	108.1	169.6	-172.7	0	0	0	0	110	T630	S628-T630 PolarHBondContact O-N 3.48Å
629	T	53.2	Low	58.3	Low	136 Å²	136	111.7 Å²	111.7	83%	0.834	67%	0.665	S	S	*	*			trans	-73.7	79.1	174.7	-42.6	0	0	0	0	110	G627 V631	G627-T629 PolarHBondContact O-N 2.82Å; T629-V631 PolarHBondContact O-N 3.38Å
630	T	56.3	Low	61.2	Low	94 Å²	94	112.7 Å²	112.7	58%	0.577	66%	0.656	S	S	*	*			trans	-62.6	114.8	176	51	0	0	0	0	109.9	S628 N632	S628-T630 PolarHBondContact O-N 3.48Å; T630-N632 PolarHBondContact O-N 3.12Å; T630-N632 VanDerWaalsContact O-N 3.09Å
631	V	72.7	Confident	64.3	Low	104 Å²	104	115.6 Å²	115.6	63%	0.63	65%	0.65	S	S	*	*			trans	-58.4	114.9	167.7	179.2	0	0	0	0	107.3	T629 D635 L636	T629-V631 PolarHBondContact O-N 3.38Å; V631-D635 HydrophobicContact CG1-CB 4.41Å; V631-L636 HydrophobicContact CG1-CD1 4.25Å; V631-L636 HydrophobicContact CG1-CD2 4.28Å; V631-L636 HydrophobicContact CG1-CG 3.93Å
632	N	79.5	Confident	67.1	Low	95 Å²	95	115.3 Å²	115.3	51%	0.508	64%	0.64	S	S	.	*			trans	-75.1	148.9	-173.1	-91.7	-32.1	0	0	0	110.2	T630 A634 D635 L636	T630-N632 PolarHBondContact O-N 3.12Å; T630-N632 VanDerWaalsContact O-N 3.09Å; N632-A634 PolarHBondContact O-N 3.42Å; N632-A634 VanDerWaalsContact O-N 3.17Å; N632-D635 WeakPolarHBondContact CB-OD2 3.23Å; N632-D635 PolarHBondContact N-OD2 2.82Å; N632-D635 WeakPolarHBondContact O-CB 3.36Å; N632-D635 PolarHBondContact O-N 3.29Å; N632-L636 PolarHBondContact O-N 2.94Å
633	R	83.5	Confident	69.8	Low	188 Å²	188	113.3 Å²	113.3	71%	0.709	63%	0.629	S	S	*	*	H	α-helix	trans	-55.4	-34.9	175.3	-178	174.1	174.5	145.4	5	112.1	D635 L636 E637	R633-D635 VanDerWaalsContact C-N 3.33Å; R633-D635 PolarHBondContact O-N 2.82Å; R633-L636 PolarHBondContact O-N 2.86Å; R633-E637 HydrophobicContact CG-CG 4.45Å; R633-E637 IonicContact CZ-OE1 3.61Å; R633-E637 VanDerWaalsContact CZ-OE1 3.32Å; R633-E637 IonicContact NE-OE1 2.64Å; R633-E637 PolarHBondContact NE-OE1 3.46Å; R633-E637 IonicContact NH2-OE1 2.68Å; R633-E637 PolarHBondContact NH2-OE1 2.82Å; R633-E637 WeakPolarHBondContact O-CB 3.3Å; R633-E637 WeakPolarHBondContact O-CG 3.23Å; R633-E637 PolarHBondContact O-N 2.87Å
634	A	88.1	Confident	72.5	Confident	63 Å²	63	109.5 Å²	109.5	52%	0.521	61%	0.607	S	S	.	*	H	α-helix	trans	-61.6	-37	174.7	0	0	0	0	0	113.1	N632 E637 A638	N632-A634 PolarHBondContact O-N 3.42Å; N632-A634 VanDerWaalsContact O-N 3.17Å; A634-E637 PolarHBondContact O-N 2.82Å; A634-A638 VanDerWaalsContact O-CB 3.31Å; A634-A638 WeakPolarHBondContact O-CB 3.32Å; A634-A638 PolarHBondContact O-N 2.92Å
635	D	85.9	Confident	74.9	Confident	87 Å²	87	107.3 Å²	107.3	47%	0.465	59%	0.592	S	S	.	*	H	α-helix	trans	-68.7	-43.6	178.6	-51.5	-36.4	0	0	0	110.4	V631 N632 R633 A638 F639	V631-D635 HydrophobicContact CG1-CB 4.41Å; N632-D635 WeakPolarHBondContact CB-OD2 3.23Å; N632-D635 PolarHBondContact N-OD2 2.82Å; N632-D635 WeakPolarHBondContact O-CB 3.36Å; N632-D635 PolarHBondContact O-N 3.29Å; R633-D635 VanDerWaalsContact C-N 3.33Å; R633-D635 PolarHBondContact O-N 2.82Å; D635-A638 PolarHBondContact O-N 3.09Å; D635-F639 WeakPolarHBondContact O-CB 3.37Å; D635-F639 PolarHBondContact O-N 2.97Å
636	L	85.7	Confident	77.4	Confident	104 Å²	104	103.5 Å²	103.5	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-64.5	-39	175.1	-70.2	166.3	0	0	0	111.9	V631 N632 R633 K640	V631-L636 HydrophobicContact CG1-CD1 4.25Å; V631-L636 HydrophobicContact CG1-CD2 4.28Å; V631-L636 HydrophobicContact CG1-CG 3.93Å; N632-L636 PolarHBondContact O-N 2.94Å; R633-L636 PolarHBondContact O-N 2.86Å; L636-K640 WeakPolarHBondContact O-CB 3.19Å; L636-K640 PolarHBondContact O-N 2.82Å
637	E	88.3	Confident	80.3	Confident	85 Å²	85	103.6 Å²	103.6	40%	0.397	55%	0.553	S	S	.	*	H	α-helix	trans	-76.3	-21.4	175.7	-71.4	-179.4	-172.3	0	0	112.9	R633 A634 R641	R633-E637 HydrophobicContact CG-CG 4.45Å; R633-E637 IonicContact CZ-OE1 3.61Å; R633-E637 VanDerWaalsContact CZ-OE1 3.32Å; R633-E637 IonicContact NE-OE1 2.64Å; R633-E637 PolarHBondContact NE-OE1 3.46Å; R633-E637 IonicContact NH2-OE1 2.68Å; R633-E637 PolarHBondContact NH2-OE1 2.82Å; R633-E637 WeakPolarHBondContact O-CB 3.3Å; R633-E637 WeakPolarHBondContact O-CG 3.23Å; R633-E637 PolarHBondContact O-N 2.87Å; A634-E637 PolarHBondContact O-N 2.82Å; E637-R641 WeakPolarHBondContact O-CG 3.26Å; E637-R641 PolarHBondContact O-N 2.85Å; E637-R641 PolarHBondContact O-NE 3.18Å
638	A	88.9	Confident	82.9	Confident	43 Å²	43	108.5 Å²	108.5	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-73.9	-52.1	167.5	0	0	0	0	0	111.3	A634 D635 K640 R641 E642	A634-A638 VanDerWaalsContact O-CB 3.31Å; A634-A638 WeakPolarHBondContact O-CB 3.32Å; A634-A638 PolarHBondContact O-N 2.92Å; D635-A638 PolarHBondContact O-N 3.09Å; A638-K640 VanDerWaalsContact C-N 3.29Å; A638-K640 PolarHBondContact O-N 3.49Å; A638-R641 WeakPolarHBondContact O-CA 3.36Å; A638-R641 WeakPolarHBondContact O-CB 3.44Å; A638-R641 PolarHBondContact O-N 3.25Å; A638-E642 PolarHBondContact O-N 2.96Å
639	F	90.6	Very high	85.3	Confident	122 Å²	122	109.3 Å²	109.3	54%	0.535	54%	0.539	S	S	.	.	H	α-helix	trans	-58.2	-39.6	175.8	177.2	-110.6	0	0	0	112.2	D635 R641 E642 L643	D635-F639 WeakPolarHBondContact O-CB 3.37Å; D635-F639 PolarHBondContact O-N 2.97Å; F639-R641 VanDerWaalsContact C-N 3.32Å; F639-R641 PolarHBondContact O-N 2.96Å; F639-E642 PolarHBondContact O-N 2.85Å; F639-L643 WeakPolarHBondContact O-CB 3.47Å; F639-L643 PolarHBondContact O-N 3.33Å
640	K	90.9	Very high	87.1	Confident	135 Å²	135	108.3 Å²	108.3	59%	0.587	53%	0.525	S	S	*	.	H	α-helix	trans	-60.2	-39.5	172.3	-179.5	-179	175.4	-174.8	0	112.4	L636 A638 I644	L636-K640 WeakPolarHBondContact O-CB 3.19Å; L636-K640 PolarHBondContact O-N 2.82Å; A638-K640 VanDerWaalsContact C-N 3.29Å; A638-K640 PolarHBondContact O-N 3.49Å; K640-I644 HydrophobicContact CG-CD1 3.93Å; K640-I644 WeakPolarHBondContact O-CB 3.26Å; K640-I644 WeakPolarHBondContact O-CD1 3.4Å; K640-I644 WeakPolarHBondContact O-CG1 3.4Å; K640-I644 PolarHBondContact O-N 3.01Å; K640-I644 VanDerWaalsContact O-N 3.16Å
641	R	92.5	Very high	89	Confident	167 Å²	167	107.4 Å²	107.4	63%	0.63	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-46.8	176.4	-79.7	174.9	-74.4	165.1	-2.2	111	E637 A638 F639 L643 I644 S645	E637-R641 WeakPolarHBondContact O-CG 3.26Å; E637-R641 PolarHBondContact O-N 2.85Å; E637-R641 PolarHBondContact O-NE 3.18Å; A638-R641 WeakPolarHBondContact O-CA 3.36Å; A638-R641 WeakPolarHBondContact O-CB 3.44Å; A638-R641 PolarHBondContact O-N 3.25Å; F639-R641 VanDerWaalsContact C-N 3.32Å; F639-R641 PolarHBondContact O-N 2.96Å; R641-L643 PolarHBondContact O-N 3.44Å; R641-I644 PolarHBondContact O-N 2.65Å; R641-S645 PolarHBondContact O-N 3.1Å; R641-S645 PolarHBondContact O-OG 3.25Å; R641-S645 VanDerWaalsContact O-OG 3.08Å
642	E	91.1	Very high	89.9	Confident	123 Å²	123	108.1 Å²	108.1	58%	0.575	52%	0.515	S	S	*	.	H	α-helix	trans	-56.4	-50.3	176.9	-174.3	177.3	-168.1	0	0	111.8	A638 F639 I644 S645 E646	A638-E642 PolarHBondContact O-N 2.96Å; F639-E642 PolarHBondContact O-N 2.85Å; E642-I644 VanDerWaalsContact C-N 3.31Å; E642-I644 PolarHBondContact O-N 3.42Å; E642-S645 WeakPolarHBondContact CA-OG 3.29Å; E642-S645 PolarHBondContact O-N 2.85Å; E642-S645 VanDerWaalsContact O-N 3.17Å; E642-S645 PolarHBondContact O-OG 2.96Å; E642-E646 PolarHBondContact O-N 3.46Å
643	L	92.7	Very high	90.6	Very high	103 Å²	103	108.2 Å²	108.2	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-60.9	-37.2	177.7	-174.9	65.3	0	0	0	112.7	F639 R641 F647	F639-L643 WeakPolarHBondContact O-CB 3.47Å; F639-L643 PolarHBondContact O-N 3.33Å; R641-L643 PolarHBondContact O-N 3.44Å; L643-F647 WeakPolarHBondContact O-CB 3.45Å; L643-F647 PolarHBondContact O-N 3.1Å
644	I	91.7	Very high	91.1	Very high	76 Å²	76	104 Å²	104	39%	0.39	50%	0.504	S	S	.	.	H	α-helix	trans	-72	-37.4	176.3	-70.8	168.5	0	0	0	111.3	K640 R641 E642 R648	K640-I644 HydrophobicContact CG-CD1 3.93Å; K640-I644 WeakPolarHBondContact O-CB 3.26Å; K640-I644 WeakPolarHBondContact O-CD1 3.4Å; K640-I644 WeakPolarHBondContact O-CG1 3.4Å; K640-I644 PolarHBondContact O-N 3.01Å; K640-I644 VanDerWaalsContact O-N 3.16Å; R641-I644 PolarHBondContact O-N 2.65Å; E642-I644 VanDerWaalsContact C-N 3.31Å; E642-I644 PolarHBondContact O-N 3.42Å; I644-R648 WeakPolarHBondContact O-CB 3.17Å; I644-R648 VanDerWaalsContact O-CG 3.24Å; I644-R648 WeakPolarHBondContact O-CG 3.31Å; I644-R648 PolarHBondContact O-N 3.33Å
645	S	89.1	Confident	91.4	Very high	65 Å²	65	106.7 Å²	106.7	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-42.4	173.3	40.7	0	0	0	0	112.2	R641 E642 R648 R649	R641-S645 PolarHBondContact O-N 3.1Å; R641-S645 PolarHBondContact O-OG 3.25Å; R641-S645 VanDerWaalsContact O-OG 3.08Å; E642-S645 WeakPolarHBondContact CA-OG 3.29Å; E642-S645 PolarHBondContact O-N 2.85Å; E642-S645 VanDerWaalsContact O-N 3.17Å; E642-S645 PolarHBondContact O-OG 2.96Å; S645-R648 PolarHBondContact O-N 3.33Å; S645-R649 WeakPolarHBondContact O-CB 3.48Å; S645-R649 PolarHBondContact O-N 3.42Å
646	E	89	Confident	91.9	Very high	78 Å²	78	105.7 Å²	105.7	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-67.7	-42.7	178.3	-75.2	-66.7	92.5	0	0	112.1	E642 R648 R649 E650	E642-E646 PolarHBondContact O-N 3.46Å; E646-R648 VanDerWaalsContact C-N 3.33Å; E646-R648 PolarHBondContact O-N 3.04Å; E646-R649 WeakPolarHBondContact O-CB 3.17Å; E646-R649 PolarHBondContact O-N 3.01Å; E646-R649 VanDerWaalsContact O-N 3.13Å; E646-R649 IonicContact OE1-CZ 2.75Å; E646-R649 IonicContact OE1-NE 3.3Å; E646-R649 PolarHBondContact OE1-NE 3.5Å; E646-R649 IonicContact OE1-NH2 2.78Å; E646-R649 PolarHBondContact OE1-NH2 2.81Å; E646-R649 IonicContact OE2-CZ 3.03Å; E646-R649 IonicContact OE2-NE 3.81Å; E646-R649 IonicContact OE2-NH2 3.28Å; E646-R649 PolarHBondContact OE2-NH2 3.48Å; E646-E650 PolarHBondContact O-N 2.86Å
647	F	95.1	Very high	92.2	Very high	136 Å²	136	104.1 Å²	104.1	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-62	-40.4	173.9	-177.8	-104.3	0	0	0	112.1	L643 R649 V651	L643-F647 WeakPolarHBondContact O-CB 3.45Å; L643-F647 PolarHBondContact O-N 3.1Å; F647-R649 VanDerWaalsContact C-N 3.33Å; F647-R649 PolarHBondContact O-N 2.83Å; F647-V651 HydrophobicContact CD1-CG2 4.32Å; F647-V651 HydrophobicContact CD2-CG2 4.39Å; F647-V651 HydrophobicContact CE1-CG2 3.91Å; F647-V651 HydrophobicContact CE2-CG2 3.99Å; F647-V651 HydrophobicContact CZ-CG2 3.74Å; F647-V651 WeakPolarHBondContact O-CB 3.35Å; F647-V651 VanDerWaalsContact O-CG2 3.3Å; F647-V651 WeakPolarHBondContact O-CG2 3.4Å; F647-V651 PolarHBondContact O-N 2.81Å
648	R	92.7	Very high	92.4	Very high	165 Å²	165	104.3 Å²	104.3	62%	0.623	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-40.8	172.8	-77	173.6	174.5	-162.1	-2.6	111.7	I644 S645 E646 Q652	I644-R648 WeakPolarHBondContact O-CB 3.17Å; I644-R648 VanDerWaalsContact O-CG 3.24Å; I644-R648 WeakPolarHBondContact O-CG 3.31Å; I644-R648 PolarHBondContact O-N 3.33Å; S645-R648 PolarHBondContact O-N 3.33Å; E646-R648 VanDerWaalsContact C-N 3.33Å; E646-R648 PolarHBondContact O-N 3.04Å; R648-Q652 VanDerWaalsContact O-CB 3.28Å; R648-Q652 WeakPolarHBondContact O-CB 3.15Å; R648-Q652 WeakPolarHBondContact O-CG 3.36Å; R648-Q652 PolarHBondContact O-N 3.36Å
649	R	94.8	Very high	92.6	Very high	127 Å²	127	105.1 Å²	105.1	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-46.4	177.8	-169.8	179.6	64.8	70.6	2.2	111.9	S645 E646 F647 Q652 Q653	S645-R649 WeakPolarHBondContact O-CB 3.48Å; S645-R649 PolarHBondContact O-N 3.42Å; E646-R649 WeakPolarHBondContact O-CB 3.17Å; E646-R649 PolarHBondContact O-N 3.01Å; E646-R649 VanDerWaalsContact O-N 3.13Å; E646-R649 IonicContact OE1-CZ 2.75Å; E646-R649 IonicContact OE1-NE 3.3Å; E646-R649 PolarHBondContact OE1-NE 3.5Å; E646-R649 IonicContact OE1-NH2 2.78Å; E646-R649 PolarHBondContact OE1-NH2 2.81Å; E646-R649 IonicContact OE2-CZ 3.03Å; E646-R649 IonicContact OE2-NE 3.81Å; E646-R649 IonicContact OE2-NH2 3.28Å; E646-R649 PolarHBondContact OE2-NH2 3.48Å; F647-R649 VanDerWaalsContact C-N 3.33Å; F647-R649 PolarHBondContact O-N 2.83Å; R649-Q652 PolarHBondContact O-N 2.87Å; R649-Q653 WeakPolarHBondContact O-CB 3.06Å; R649-Q653 PolarHBondContact O-N 2.95Å
650	E	91.1	Very high	92.6	Very high	115 Å²	115	105 Å²	105	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-42.5	176.6	-72.6	-172.1	164.8	0	0	112.1	E646 Q653 L654	E646-E650 PolarHBondContact O-N 2.86Å; E650-Q653 PolarHBondContact O-N 3.17Å; E650-L654 WeakPolarHBondContact O-CB 3.39Å; E650-L654 PolarHBondContact O-N 2.68Å
651	V	94.8	Very high	92.6	Very high	75 Å²	75	101.4 Å²	101.4	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-38	176	170.3	0	0	0	0	111.9	F647 K655	F647-V651 HydrophobicContact CD1-CG2 4.32Å; F647-V651 HydrophobicContact CD2-CG2 4.39Å; F647-V651 HydrophobicContact CE1-CG2 3.91Å; F647-V651 HydrophobicContact CE2-CG2 3.99Å; F647-V651 HydrophobicContact CZ-CG2 3.74Å; F647-V651 WeakPolarHBondContact O-CB 3.35Å; F647-V651 VanDerWaalsContact O-CG2 3.3Å; F647-V651 WeakPolarHBondContact O-CG2 3.4Å; F647-V651 PolarHBondContact O-N 2.81Å; V651-K655 WeakPolarHBondContact O-CB 3.43Å; V651-K655 PolarHBondContact O-N 3.04Å
652	Q	92.6	Very high	92.5	Very high	119 Å²	119	98.6 Å²	98.6	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-68.1	-38.4	175	-76.3	171.3	-13.3	0	0	112.2	R648 R649 N656	R648-Q652 VanDerWaalsContact O-CB 3.28Å; R648-Q652 WeakPolarHBondContact O-CB 3.15Å; R648-Q652 WeakPolarHBondContact O-CG 3.36Å; R648-Q652 PolarHBondContact O-N 3.36Å; R649-Q652 PolarHBondContact O-N 2.87Å; Q652-N656 PolarHBondContact O-N 2.94Å; Q652-N656 VanDerWaalsContact O-N 3.11Å; Q652-N656 PolarHBondContact O-ND2 3.42Å; Q652-N656 PolarHBondContact O-OD1 2.9Å
653	Q	93.1	Very high	92.4	Very high	96 Å²	96	100 Å²	100	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-53.5	173.3	-171.6	63	52.5	0	0	110.6	R649 E650 K655 N656 D657	R649-Q653 WeakPolarHBondContact O-CB 3.06Å; R649-Q653 PolarHBondContact O-N 2.95Å; E650-Q653 PolarHBondContact O-N 3.17Å; Q653-K655 PolarHBondContact O-N 2.97Å; Q653-N656 CarbonylContact O-C 3.56Å; Q653-N656 WeakPolarHBondContact O-CA 3.34Å; Q653-N656 WeakPolarHBondContact O-CB 3.46Å; Q653-N656 PolarHBondContact O-N 2.91Å; Q653-D657 PolarHBondContact NE2-OD1 3.09Å; Q653-D657 PolarHBondContact O-N 2.89Å
654	L	94.5	Very high	92.1	Very high	101 Å²	101	97.3 Å²	97.3	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-56.7	-38.1	178.7	179.5	61.9	0	0	0	112.5	E650 N656 D657 I658	E650-L654 WeakPolarHBondContact O-CB 3.39Å; E650-L654 PolarHBondContact O-N 2.68Å; L654-N656 VanDerWaalsContact C-N 3.35Å; L654-D657 PolarHBondContact O-N 2.99Å; L654-I658 HydrophobicContact CD1-CD1 4.09Å; L654-I658 HydrophobicContact CD1-CG1 4.33Å; L654-I658 HydrophobicContact CG-CD1 3.99Å; L654-I658 WeakPolarHBondContact O-CB 3.43Å; L654-I658 WeakPolarHBondContact O-CD1 3.33Å; L654-I658 VanDerWaalsContact O-CG1 3.23Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 2.79Å
655	K	95.3	Very high	91.6	Very high	118 Å²	118	96 Å²	96	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-42.3	173.5	-171	-151.1	68.4	170.2	0	111.6	V651 Q653 I659	V651-K655 WeakPolarHBondContact O-CB 3.43Å; V651-K655 PolarHBondContact O-N 3.04Å; Q653-K655 PolarHBondContact O-N 2.97Å; K655-I659 HydrophobicContact CD-CD1 4.42Å; K655-I659 HydrophobicContact CG-CD1 4.2Å; K655-I659 WeakPolarHBondContact O-CD1 3.25Å; K655-I659 VanDerWaalsContact O-CG1 3.23Å; K655-I659 WeakPolarHBondContact O-CG1 3.46Å; K655-I659 PolarHBondContact O-N 2.55Å; K655-I659 VanDerWaalsContact O-N 3.12Å
656	N	94.7	Very high	91.2	Very high	67 Å²	67	96.3 Å²	96.3	36%	0.358	48%	0.477	S	S	.	.	H	α-helix	trans	-69	-43.4	177.5	-64.2	-12.8	0	0	0	111.2	Q652 Q653 L654 I658 I659 E660	Q652-N656 PolarHBondContact O-N 2.94Å; Q652-N656 VanDerWaalsContact O-N 3.11Å; Q652-N656 PolarHBondContact O-ND2 3.42Å; Q652-N656 PolarHBondContact O-OD1 2.9Å; Q653-N656 CarbonylContact O-C 3.56Å; Q653-N656 WeakPolarHBondContact O-CA 3.34Å; Q653-N656 WeakPolarHBondContact O-CB 3.46Å; Q653-N656 PolarHBondContact O-N 2.91Å; L654-N656 VanDerWaalsContact C-N 3.35Å; N656-I658 VanDerWaalsContact C-N 3.31Å; N656-I658 PolarHBondContact O-N 3.28Å; N656-I659 CarbonylContact O-C 3.59Å; N656-I659 WeakPolarHBondContact O-CB 3.48Å; N656-I659 PolarHBondContact O-N 3.06Å; N656-E660 PolarHBondContact O-N 2.79Å
657	D	93.6	Very high	90.6	Very high	70 Å²	70	98.8 Å²	98.8	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-58.7	-41.7	177.2	-56.9	-17.5	0	0	0	111.4	Q653 L654 E660 A661	Q653-D657 PolarHBondContact NE2-OD1 3.09Å; Q653-D657 PolarHBondContact O-N 2.89Å; L654-D657 PolarHBondContact O-N 2.99Å; D657-E660 PolarHBondContact O-N 2.91Å; D657-A661 WeakPolarHBondContact O-CB 3.27Å; D657-A661 PolarHBondContact O-N 2.86Å
658	I	91.9	Very high	89.4	Confident	89 Å²	89	101.4 Å²	101.4	46%	0.456	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-41.6	174.1	-70.6	166.1	0	0	0	111.2	L654 N656 A661 L662	L654-I658 HydrophobicContact CD1-CD1 4.09Å; L654-I658 HydrophobicContact CD1-CG1 4.33Å; L654-I658 HydrophobicContact CG-CD1 3.99Å; L654-I658 WeakPolarHBondContact O-CB 3.43Å; L654-I658 WeakPolarHBondContact O-CD1 3.33Å; L654-I658 VanDerWaalsContact O-CG1 3.23Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 2.79Å; N656-I658 VanDerWaalsContact C-N 3.31Å; N656-I658 PolarHBondContact O-N 3.28Å; I658-A661 PolarHBondContact O-N 2.97Å; I658-L662 HydrophobicContact CG2-CD1 4Å; I658-L662 HydrophobicContact CG2-CG 4.49Å; I658-L662 WeakPolarHBondContact O-CB 3.13Å; I658-L662 VanDerWaalsContact O-CG 3.28Å; I658-L662 WeakPolarHBondContact O-CG 3.08Å; I658-L662 PolarHBondContact O-N 2.94Å
659	I	92.9	Very high	88	Confident	60 Å²	60	100.3 Å²	100.3	31%	0.308	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-39.5	177.2	-70.8	164.2	0	0	0	111	K655 N656 L662 R663	K655-I659 HydrophobicContact CD-CD1 4.42Å; K655-I659 HydrophobicContact CG-CD1 4.2Å; K655-I659 WeakPolarHBondContact O-CD1 3.25Å; K655-I659 VanDerWaalsContact O-CG1 3.23Å; K655-I659 WeakPolarHBondContact O-CG1 3.46Å; K655-I659 PolarHBondContact O-N 2.55Å; K655-I659 VanDerWaalsContact O-N 3.12Å; N656-I659 CarbonylContact O-C 3.59Å; N656-I659 WeakPolarHBondContact O-CB 3.48Å; N656-I659 PolarHBondContact O-N 3.06Å; I659-L662 PolarHBondContact O-N 3.09Å; I659-R663 VanDerWaalsContact CG2-CZ 3.46Å; I659-R663 VanDerWaalsContact O-CG 3.31Å; I659-R663 WeakPolarHBondContact O-CG 3.39Å; I659-R663 PolarHBondContact O-N 3.33Å
660	E	91.6	Very high	86	Confident	120 Å²	120	102.2 Å²	102.2	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-68.8	-41.3	175.1	-71.8	-173	-177	0	0	112.2	N656 D657 L662 R663 A664	N656-E660 PolarHBondContact O-N 2.79Å; D657-E660 PolarHBondContact O-N 2.91Å; E660-L662 VanDerWaalsContact C-N 3.32Å; E660-L662 PolarHBondContact O-N 3.21Å; E660-R663 PolarHBondContact O-N 2.86Å; E660-A664 VanDerWaalsContact O-CB 3.3Å; E660-A664 WeakPolarHBondContact O-CB 3.33Å; E660-A664 PolarHBondContact O-N 3.1Å
661	A	89.3	Confident	85.7	Confident	60 Å²	60	101.6 Å²	101.6	50%	0.496	53%	0.534	S	S	.	.	H	α-helix	trans	-59.8	-41.1	172.9	0	0	0	0	0	112.1	D657 I658 A664 S665	D657-A661 WeakPolarHBondContact O-CB 3.27Å; D657-A661 PolarHBondContact O-N 2.86Å; I658-A661 PolarHBondContact O-N 2.97Å; A661-A664 CarbonylContact O-C 3.59Å; A661-A664 PolarHBondContact O-N 2.89Å; A661-S665 PolarHBondContact O-N 2.65Å; A661-S665 PolarHBondContact O-OG 2.84Å
662	L	90.2	Very high	85.2	Confident	107 Å²	107	102.9 Å²	102.9	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-67.3	-41.7	176	-73.9	170.7	0	0	0	112.5	I658 I659 E660 S665 S666	I658-L662 HydrophobicContact CG2-CD1 4Å; I658-L662 HydrophobicContact CG2-CG 4.49Å; I658-L662 WeakPolarHBondContact O-CB 3.13Å; I658-L662 VanDerWaalsContact O-CG 3.28Å; I658-L662 WeakPolarHBondContact O-CG 3.08Å; I658-L662 PolarHBondContact O-N 2.94Å; I659-L662 PolarHBondContact O-N 3.09Å; E660-L662 VanDerWaalsContact C-N 3.32Å; E660-L662 PolarHBondContact O-N 3.21Å; L662-S665 WeakPolarHBondContact CA-OG 3.14Å; L662-S665 PolarHBondContact O-N 3.26Å; L662-S665 PolarHBondContact O-OG 3.44Å; L662-S666 PolarHBondContact O-N 3.37Å
663	R	89.1	Confident	84.8	Confident	153 Å²	153	102.1 Å²	102.1	58%	0.577	54%	0.538	S	S	*	.	H	α-helix	trans	-59.7	-47	171.6	-71.7	167.8	-178	155.6	-2.2	111	I659 E660 S665 S666 I667	I659-R663 VanDerWaalsContact CG2-CZ 3.46Å; I659-R663 VanDerWaalsContact O-CG 3.31Å; I659-R663 WeakPolarHBondContact O-CG 3.39Å; I659-R663 PolarHBondContact O-N 3.33Å; E660-R663 PolarHBondContact O-N 2.86Å; R663-S665 VanDerWaalsContact C-N 3.28Å; R663-S665 PolarHBondContact O-N 2.66Å; R663-S666 PolarHBondContact O-N 2.83Å; R663-S666 VanDerWaalsContact O-N 3.17Å; R663-I667 WeakPolarHBondContact O-CG1 3.47Å; R663-I667 PolarHBondContact O-N 2.97Å
664	A	87.1	Confident	84.3	Confident	47 Å²	47	102.4 Å²	102.4	39%	0.388	54%	0.543	S	S	.	.	H	α-helix	trans	-72.1	-14.5	179.2	0	0	0	0	0	114.2	E660 A661 R668	E660-A664 VanDerWaalsContact O-CB 3.3Å; E660-A664 WeakPolarHBondContact O-CB 3.33Å; E660-A664 PolarHBondContact O-N 3.1Å; A661-A664 CarbonylContact O-C 3.59Å; A661-A664 PolarHBondContact O-N 2.89Å; A664-R668 PolarHBondContact O-NE 2.96Å; A664-R668 PolarHBondContact O-NH2 3.16Å
665	S	80.9	Confident	83.7	Confident	47 Å²	47	102.5 Å²	102.5	33%	0.329	54%	0.544	S	S	.	.	H	α-helix	trans	-85	-39.1	164.7	62.3	0	0	0	0	111.8	A661 L662 R663 I667 R668 N669	A661-S665 PolarHBondContact O-N 2.65Å; A661-S665 PolarHBondContact O-OG 2.84Å; L662-S665 WeakPolarHBondContact CA-OG 3.14Å; L662-S665 PolarHBondContact O-N 3.26Å; L662-S665 PolarHBondContact O-OG 3.44Å; R663-S665 VanDerWaalsContact C-N 3.28Å; R663-S665 PolarHBondContact O-N 2.66Å; S665-I667 VanDerWaalsContact C-N 3.32Å; S665-I667 PolarHBondContact O-N 2.91Å; S665-R668 PolarHBondContact O-N 3.15Å; S665-R668 VanDerWaalsContact O-N 3.11Å; S665-N669 PolarHBondContact O-N 2.94Å
666	S	81.5	Confident	82.9	Confident	73 Å²	73	101.5 Å²	101.5	51%	0.51	55%	0.546	S	S	.	.	H	α-helix	trans	-61.5	-41.3	177.3	-164.8	0	0	0	0	111.9	L662 R663 R668 N669	L662-S666 PolarHBondContact O-N 3.37Å; R663-S666 PolarHBondContact O-N 2.83Å; R663-S666 VanDerWaalsContact O-N 3.17Å; S666-R668 PolarHBondContact O-N 3.42Å; S666-N669 PolarHBondContact O-N 2.91Å
667	I	75	Confident	82.1	Confident	129 Å²	129	103.9 Å²	103.9	66%	0.662	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-12.9	178.6	-66.4	164.3	0	0	0	112.5	R663 S665	R663-I667 WeakPolarHBondContact O-CG1 3.47Å; R663-I667 PolarHBondContact O-N 2.97Å; S665-I667 VanDerWaalsContact C-N 3.32Å; S665-I667 PolarHBondContact O-N 2.91Å
668	R	69.9	Low	81.2	Confident	191 Å²	191	106.5 Å²	106.5	72%	0.721	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	0.1	175.5	-76.7	-174.7	-71	165.5	-0.7	114.2	A664 S665 S666	A664-R668 PolarHBondContact O-NE 2.96Å; A664-R668 PolarHBondContact O-NH2 3.16Å; S665-R668 PolarHBondContact O-N 3.15Å; S665-R668 VanDerWaalsContact O-N 3.11Å; S666-R668 PolarHBondContact O-N 3.42Å
669	N	64.3	Low	80.3	Confident	143 Å²	143	108 Å²	108	77%	0.765	58%	0.583	S	S	*	*			trans	-113.6	25.6	174.3	-69	-11	0	0	0	111.2	S665 S666	S665-N669 PolarHBondContact O-N 2.94Å; S666-N669 PolarHBondContact O-N 2.91Å
670	C	51.7	Low	79.1	Confident	166 Å²	166	112.4 Å²	112.4	100%	1.122	61%	0.608	S	S	*	*			trans	-139.3	0	175.9	-65.4	0	0	0	0	108.4

Retrieved 670 of 670 residues in 90.6 ms (Link to these results)

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