A0A3Q0KNJ6_SCHMA Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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	38	Very low	55.7	Low	204 Å²	204	116 Å²	116	100%	1.005	58%	0.584	S	S	*	*				0	81.4	0	176.4	-176	167.5	0	0	109.4	I3 D60	M1-I3 PolarHBondContact O-N 3.27Å; M1-I3 VanDerWaalsContact O-N 3.09Å; M1-D60 VanDerWaalsContact CA-OD1 3.28Å; M1-D60 WeakPolarHBondContact CA-OD1 3.45Å; M1-D60 PolarHBondContact N-OD1 3.29Å
2	L	44.2	Very low	57.8	Low	45 Å²	45	107.1 Å²	107.1	24%	0.236	54%	0.541	C	S	.	.			trans	-61	112.7	176.7	-81.2	175.1	0	0	0	112.2	D60 K89 L91	L2-D60 WeakPolarHBondContact CD1-OD2 3.39Å; L2-D60 VanDerWaalsContact CG-OD2 3.3Å; L2-D60 WeakPolarHBondContact CG-OD2 3.36Å; L2-D60 PolarHBondContact N-OD1 3.38Å; L2-K89 HydrophobicContact CD1-CB 4.47Å; L2-K89 HydrophobicContact CD1-CD 3.75Å; L2-K89 HydrophobicContact CD1-CG 4.06Å; L2-L91 HydrophobicContact CD2-CB 3.86Å
3	I	49.3	Very low	59.2	Low	102 Å²	102	108.6 Å²	108.6	52%	0.523	55%	0.552	S	S	.	*			trans	-56.6	140	177.3	-61.8	172.2	0	0	0	109.9	M1 S5 L8	M1-I3 PolarHBondContact O-N 3.27Å; M1-I3 VanDerWaalsContact O-N 3.09Å; I3-S5 PolarHBondContact O-N 3.16Å; I3-L8 HydrophobicContact CD1-CD2 4.31Å; I3-L8 HydrophobicContact CG2-CD1 4.4Å
4	K	46.7	Very low	60.6	Low	190 Å²	190	103.6 Å²	103.6	83%	0.826	53%	0.527	S	S	*	.			trans	-60.8	90.4	179.8	-80.8	-170.6	173.5	-175.7	0	112.7	K6	K4-K6 PolarHBondContact O-N 3.34Å
5	S	41.1	Very low	61.8	Low	106 Å²	106	101.8 Å²	101.8	74%	0.741	54%	0.544	S	S	*	.	S	Bend	trans	44.7	34.8	143.1	65.6	0	0	0	0	117.7	I3	I3-S5 PolarHBondContact O-N 3.16Å
6	K	48.3	Very low	63	Low	173 Å²	173	99 Å²	99	75%	0.752	52%	0.524	S	S	*	.			trans	-111.5	132.8	161.2	-68.2	-162.1	173.1	-165.2	0	107.6	K4 L8	K4-K6 PolarHBondContact O-N 3.34Å; K6-L8 WeakPolarHBondContact O-CD1 3.29Å; K6-L8 PolarHBondContact O-N 3.22Å
7	N	54.4	Low	64.4	Low	125 Å²	125	95.9 Å²	95.9	67%	0.668	51%	0.513	S	S	*	.			trans	-60.7	106.6	175	-64.7	-13.1	0	0	0	108.1	S9	N7-S9 PolarHBondContact O-N 2.94Å
8	L	62.7	Low	65.7	Low	44 Å²	44	90.6 Å²	90.6	23%	0.23	48%	0.484	C	S	.	.			trans	-68.7	104.8	172.1	-96.9	68.9	0	0	0	107	I3 K6 C191	I3-L8 HydrophobicContact CD1-CD2 4.31Å; I3-L8 HydrophobicContact CG2-CD1 4.4Å; K6-L8 WeakPolarHBondContact O-CD1 3.29Å; K6-L8 PolarHBondContact O-N 3.22Å; L8-C191 HydrophobicContact CB-CB 4.33Å; L8-C191 WeakPolarHBondContact O-CB 3.44Å; L8-C191 PolarHBondContact O-N 3.25Å; L8-C191 PolarHBondContact O-SG 3.29Å
9	S	69.9	Low	67	Low	67 Å²	67	85.8 Å²	85.8	47%	0.469	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.8	169.2	-172.8	0	0	0	0	109.7	N7 M189	N7-S9 PolarHBondContact O-N 2.94Å; S9-M189 CarbonylContact C-O 3.55Å; S9-M189 WeakPolarHBondContact CA-O 3.34Å; S9-M189 WeakPolarHBondContact CB-O 3.48Å; S9-M189 PolarHBondContact OG-O 3.13Å
10	E	77.7	Confident	68.1	Low	44 Å²	44	84.7 Å²	84.7	21%	0.206	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	107.1	166.5	-175.5	-178.3	-163.7	0	0	104.9	R95 E188 M189	E10-R95 IonicContact OE1-CZ 2.75Å; E10-R95 IonicContact OE1-NE 2.86Å; E10-R95 IonicContact OE1-NH2 3.54Å; E10-R95 PolarHBondContact OE1-NH2 2.69Å; E10-R95 IonicContact OE2-CZ 2.69Å; E10-R95 IonicContact OE2-NE 3.33Å; E10-R95 PolarHBondContact OE2-NE 3.21Å; E10-R95 IonicContact OE2-NH2 3.75Å; E10-R95 PolarHBondContact OE2-NH2 2.75Å; E10-E188 CarbonylContact O-C 3.5Å; E10-E188 VanDerWaalsContact O-CA 3.23Å; E10-E188 WeakPolarHBondContact O-CA 3.39Å; E10-E188 WeakPolarHBondContact O-CB 3.34Å; E10-M189 HydrophobicContact CB-CB 3.63Å; E10-M189 PolarHBondContact N-O 3.34Å; E10-M189 PolarHBondContact O-N 3.32Å
11	K	80.7	Confident	69.1	Low	176 Å²	176	85.4 Å²	85.4	77%	0.765	46%	0.455	S	S	*	.			trans	-77.2	147.2	171.3	-73	-171.6	176.9	-174.6	0	108.9
12	A	80.7	Confident	71.7	Confident	9 Å²	9	76.9 Å²	76.9	7%	0.074	41%	0.412	C	S	.	.			trans	-65.9	134.6	173.6	0	0	0	0	0	112.5	D14 G15 Y16 V186 A187 E188	A12-D14 PolarHBondContact O-N 3.02Å; A12-G15 PolarHBondContact O-N 3.23Å; A12-Y16 VanDerWaalsContact CB-O 3.29Å; A12-Y16 WeakPolarHBondContact CB-O 3.44Å; A12-V186 HydrophobicContact CB-CG1 3.57Å; A12-A187 WeakPolarHBondContact CA-O 3.47Å; A12-E188 HydrophobicContact CB-CB 4.28Å
13	D	76	Confident	74	Confident	127 Å²	127	78.5 Å²	78.5	68%	0.679	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	10.7	178.5	-53.3	-46.5	0	0	0	115	R100 V186	D13-R100 PolarHBondContact O-NH1 3.25Å; D13-V186 HydrophobicContact CB-CG1 4.35Å
14	D	79.4	Confident	75.9	Confident	39 Å²	39	73.8 Å²	73.8	21%	0.209	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	6.7	170.8	64	13.8	0	0	0	112.7	A12 Y16 R98 R100 Y101	A12-D14 PolarHBondContact O-N 3.02Å; D14-Y16 PolarHBondContact O-N 2.81Å; D14-Y16 VanDerWaalsContact O-N 3.11Å; D14-Y16 PolarHBondContact OD1-N 2.99Å; D14-Y16 VanDerWaalsContact OD1-N 3.16Å; D14-R98 VanDerWaalsContact CG-NH2 3.35Å; D14-R98 IonicContact OD1-CZ 3.65Å; D14-R98 IonicContact OD1-NH1 3.21Å; D14-R98 IonicContact OD1-NH2 3.46Å; D14-R98 PolarHBondContact OD1-NH2 3.33Å; D14-R98 IonicContact OD2-CZ 2.6Å; D14-R98 IonicContact OD2-NH1 3.68Å; D14-R98 PolarHBondContact OD2-NH1 2.82Å; D14-R98 IonicContact OD2-NH2 3.94Å; D14-R98 PolarHBondContact OD2-NH2 2.86Å; D14-R100 HydrophobicContact CB-CG 3.9Å; D14-R100 WeakPolarHBondContact OD2-CA 3.08Å; D14-Y101 PolarHBondContact OD2-N 3.17Å
15	G	77.6	Confident	78	Confident	76 Å²	76	67.9 Å²	67.9	78%	0.784	37%	0.368	S	S	*	.	S	Bend	trans	75	-12.4	177.5	0	0	0	0	0	115.1	A12	A12-G15 PolarHBondContact O-N 3.23Å
16	Y	81.6	Confident	80.1	Confident	57 Å²	57	65.1 Å²	65.1	22%	0.224	35%	0.347	C	S	.	.			trans	-89.2	135.9	178.5	-175.4	-100.1	0	0	0	110.7	A12 D14 L18 S41 V45 R98 Y101	A12-Y16 VanDerWaalsContact CB-O 3.29Å; A12-Y16 WeakPolarHBondContact CB-O 3.44Å; D14-Y16 PolarHBondContact O-N 2.81Å; D14-Y16 VanDerWaalsContact O-N 3.11Å; D14-Y16 PolarHBondContact OD1-N 2.99Å; D14-Y16 VanDerWaalsContact OD1-N 3.16Å; Y16-L18 HydrophobicContact CE1-CB 4.29Å; Y16-L18 HydrophobicContact CE1-CD1 4.38Å; Y16-S41 PolarHBondContact OH-OG 2.79Å; Y16-S41 VanDerWaalsContact OH-OG 3.1Å; Y16-V45 HydrophobicContact CE1-CG1 3.87Å; Y16-R98 PolarHBondContact O-NH2 3.12Å; Y16-Y101 HydrophobicContact CD1-CG 4.36Å; Y16-Y101 HydrophobicContact CD2-CD1 4.13Å; Y16-Y101 HydrophobicContact CD2-CE1 4.42Å; Y16-Y101 HydrophobicContact CG-CD1 4.09Å; Y16-Y101 HydrophobicContact CG-CG 4.19Å
17	S	86.2	Confident	81.7	Confident	47 Å²	47	57.5 Å²	57.5	33%	0.329	32%	0.318	S	S	.	.			trans	-107	122.2	170	-166.5	0	0	0	0	109.2	L19 S41 E188	S17-L19 PolarHBondContact OG-O 2.89Å; S17-L19 VanDerWaalsContact OG-O 3.06Å; S17-S41 WeakPolarHBondContact O-CB 3.14Å; S17-S41 PolarHBondContact O-OG 2.99Å; S17-E188 VanDerWaalsContact CA-OE2 3.3Å; S17-E188 WeakPolarHBondContact CA-OE2 3.15Å; S17-E188 WeakPolarHBondContact CB-OE2 3.25Å; S17-E188 PolarHBondContact OG-OE2 3.09Å
18	L	88.2	Confident	82.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-79.8	-28.6	173.1	179.4	63.2	0	0	0	110.3	Y16 S20 W40 S41 V45 A46 L49 L50 V96 R98 E188	Y16-L18 HydrophobicContact CE1-CB 4.29Å; Y16-L18 HydrophobicContact CE1-CD1 4.38Å; L18-S20 PolarHBondContact O-N 3.25Å; L18-W40 HydrophobicContact CD2-CE3 4.44Å; L18-W40 HydrophobicContact CG-CE3 4.04Å; L18-W40 CarbonylContact O-C 3.49Å; L18-W40 WeakPolarHBondContact O-CA 3.3Å; L18-S41 WeakPolarHBondContact CA-OG 3.41Å; L18-S41 PolarHBondContact O-N 2.89Å; L18-S41 PolarHBondContact O-OG 3.23Å; L18-V45 HydrophobicContact CD1-CB 4.22Å; L18-V45 HydrophobicContact CD1-CG1 4.01Å; L18-A46 HydrophobicContact CD1-CB 4.01Å; L18-A46 HydrophobicContact CD2-CB 4.49Å; L18-L49 HydrophobicContact CD2-CB 4.47Å; L18-L50 HydrophobicContact CD2-CB 4.38Å; L18-V96 HydrophobicContact CD2-CG1 4.44Å; L18-R98 HydrophobicContact CD2-CB 4.25Å; L18-E188 WeakPolarHBondContact CA-OE1 3.44Å; L18-E188 VanDerWaalsContact CB-OE1 3.27Å; L18-E188 WeakPolarHBondContact CB-OE1 3.37Å; L18-E188 PolarHBondContact N-OE1 3.37Å
19	L	90	Very high	83.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	101.4	175.8	-174.9	61	0	0	0	110.7	S17 Y21 F22 W38 W40 F94 V96 E188 K190	S17-L19 PolarHBondContact OG-O 2.89Å; S17-L19 VanDerWaalsContact OG-O 3.06Å; L19-Y21 WeakPolarHBondContact CD1-O 3.2Å; L19-F22 HydrophobicContact CD1-CB 4.4Å; L19-F22 HydrophobicContact CD2-CB 4.24Å; L19-F22 HydrophobicContact CG-CB 4.48Å; L19-W38 HydrophobicContact CD1-CB 3.75Å; L19-W38 HydrophobicContact CD1-CG 4.45Å; L19-W40 HydrophobicContact CD1-CZ3 4.48Å; L19-F94 HydrophobicContact CD1-CD1 3.79Å; L19-F94 HydrophobicContact CD1-CE1 3.78Å; L19-F94 HydrophobicContact CD2-CD1 3.83Å; L19-F94 HydrophobicContact CG-CD1 4.49Å; L19-V96 HydrophobicContact CD2-CG2 4.43Å; L19-E188 PolarHBondContact N-OE1 3.03Å; L19-K190 HydrophobicContact CD2-CB 4.04Å; L19-K190 HydrophobicContact CD2-CD 3.63Å; L19-K190 HydrophobicContact CD2-CG 3.77Å; L19-K190 HydrophobicContact CG-CD 4.01Å; L19-K190 WeakPolarHBondContact O-CE 3.17Å; L19-K190 PolarHBondContact O-NZ 2.91Å
20	S	88.5	Confident	83.6	Confident	63 Å²	63	62.6 Å²	62.6	44%	0.441	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-51.8	176	59.7	0	0	0	0	110.6	L18 D39 W40 K190	L18-S20 PolarHBondContact O-N 3.25Å; S20-D39 PolarHBondContact N-O 2.79Å; S20-D39 VanDerWaalsContact OG-C 3.26Å; S20-D39 WeakPolarHBondContact OG-CB 3.44Å; S20-D39 PolarHBondContact OG-O 2.82Å; S20-W40 VanDerWaalsContact OG-C 3.28Å; S20-W40 PolarHBondContact OG-O 3.19Å; S20-K190 PolarHBondContact O-NZ 3.38Å
21	Y	89.2	Confident	83.9	Confident	100 Å²	100	63 Å²	63	39%	0.392	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.1	-175.8	178.3	-99.9	0	0	0	111.4	L19 K23 W38 D39	L19-Y21 WeakPolarHBondContact CD1-O 3.2Å; Y21-K23 HydrophobicContact CE1-CB 3.69Å; Y21-K23 HydrophobicContact CE2-CB 4.19Å; Y21-K23 VanDerWaalsContact CZ-CB 3.47Å; Y21-K23 WeakPolarHBondContact OH-CB 3.44Å; Y21-K23 WeakPolarHBondContact OH-CD 3.33Å; Y21-W38 WeakPolarHBondContact O-CA 3.35Å; Y21-W38 VanDerWaalsContact O-CB 3.28Å; Y21-W38 WeakPolarHBondContact O-CB 3.38Å; Y21-D39 PolarHBondContact N-O 2.99Å; Y21-D39 PolarHBondContact O-N 3.06Å
22	F	92.8	Very high	84.1	Confident	24 Å²	24	61.1 Å²	61.1	11%	0.105	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	131.5	166	172.4	-114.8	0	0	0	108.2	L19 V24 A36 T37 W38 I92 F94 K190 E192	L19-F22 HydrophobicContact CD1-CB 4.4Å; L19-F22 HydrophobicContact CD2-CB 4.24Å; L19-F22 HydrophobicContact CG-CB 4.48Å; F22-V24 HydrophobicContact CE1-CG2 4.01Å; F22-V24 HydrophobicContact CE2-CG2 3.88Å; F22-V24 HydrophobicContact CZ-CG2 3.38Å; F22-A36 HydrophobicContact CE2-CB 4.31Å; F22-T37 CarbonylContact C-O 3.57Å; F22-T37 WeakPolarHBondContact CA-O 3.4Å; F22-T37 WeakPolarHBondContact CD2-O 3.27Å; F22-W38 HydrophobicContact CD2-CB 4.32Å; F22-I92 HydrophobicContact CZ-CG2 4.18Å; F22-F94 HydrophobicContact CD1-CB 4.36Å; F22-F94 HydrophobicContact CD2-CB 3.72Å; F22-F94 HydrophobicContact CD2-CD1 4.18Å; F22-F94 HydrophobicContact CD2-CG 4.16Å; F22-F94 HydrophobicContact CE1-CB 4.17Å; F22-F94 HydrophobicContact CE2-CB 3.52Å; F22-F94 HydrophobicContact CE2-CG 4.16Å; F22-F94 HydrophobicContact CG-CB 4.14Å; F22-F94 HydrophobicContact CZ-CB 3.75Å; F22-K190 HydrophobicContact CB-CB 4.23Å; F22-K190 HydrophobicContact CB-CD 4.19Å; F22-K190 HydrophobicContact CD1-CB 3.92Å; F22-K190 WeakPolarHBondContact CE1-O 3.1Å; F22-K190 HydrophobicContact CG-CB 4.4Å; F22-E192 HydrophobicContact CE1-CB 4.34Å
23	K	92.5	Very high	84.4	Confident	80 Å²	80	64.3 Å²	64.3	35%	0.348	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	144.6	175.6	-168.1	156.6	-168.1	168.1	0	112.8	Y21 F25 T37 E192	Y21-K23 HydrophobicContact CE1-CB 3.69Å; Y21-K23 HydrophobicContact CE2-CB 4.19Å; Y21-K23 VanDerWaalsContact CZ-CB 3.47Å; Y21-K23 WeakPolarHBondContact OH-CB 3.44Å; Y21-K23 WeakPolarHBondContact OH-CD 3.33Å; K23-F25 HydrophobicContact CB-CE2 4.17Å; K23-F25 HydrophobicContact CB-CZ 4.25Å; K23-F25 HydrophobicContact CD-CE1 3.91Å; K23-F25 HydrophobicContact CD-CE2 4.43Å; K23-F25 HydrophobicContact CD-CZ 3.72Å; K23-F25 HydrophobicContact CG-CE1 4.16Å; K23-F25 HydrophobicContact CG-CE2 4.03Å; K23-F25 HydrophobicContact CG-CZ 3.81Å; K23-T37 PolarHBondContact N-O 2.79Å; K23-T37 PolarHBondContact O-N 3.09Å; K23-T37 PolarHBondContact O-OG1 2.75Å; K23-E192 VanDerWaalsContact CA-OE2 3.26Å; K23-E192 WeakPolarHBondContact CA-OE2 3.13Å; K23-E192 WeakPolarHBondContact CG-OE2 3.21Å
24	V	90.8	Very high	85	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.8	-179.9	-165.1	0	0	0	0	112.4	F22 L34 K35 A36 I92 E192 T194	F22-V24 HydrophobicContact CE1-CG2 4.01Å; F22-V24 HydrophobicContact CE2-CG2 3.88Å; F22-V24 HydrophobicContact CZ-CG2 3.38Å; V24-L34 HydrophobicContact CG1-CB 3.9Å; V24-K35 WeakPolarHBondContact CA-O 3.19Å; V24-A36 HydrophobicContact CG1-CB 4.38Å; V24-A36 HydrophobicContact CG2-CB 4.12Å; V24-I92 HydrophobicContact CB-CD1 4.48Å; V24-I92 HydrophobicContact CG1-CD1 3.8Å; V24-I92 HydrophobicContact CG2-CB 4.23Å; V24-I92 HydrophobicContact CG2-CD1 4.48Å; V24-I92 HydrophobicContact CG2-CG2 4.06Å; V24-E192 PolarHBondContact N-OE2 3.04Å; V24-T194 HydrophobicContact CB-CG2 4.16Å; V24-T194 HydrophobicContact CG1-CG2 4.01Å; V24-T194 PolarHBondContact O-OG1 3.5Å
25	F	89.1	Confident	85.5	Confident	65 Å²	65	59.1 Å²	59.1	29%	0.285	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	149.6	-177	-57.8	-85	0	0	0	112.4	K23 L34 K35 T37	K23-F25 HydrophobicContact CB-CE2 4.17Å; K23-F25 HydrophobicContact CB-CZ 4.25Å; K23-F25 HydrophobicContact CD-CE1 3.91Å; K23-F25 HydrophobicContact CD-CE2 4.43Å; K23-F25 HydrophobicContact CD-CZ 3.72Å; K23-F25 HydrophobicContact CG-CE1 4.16Å; K23-F25 HydrophobicContact CG-CE2 4.03Å; K23-F25 HydrophobicContact CG-CZ 3.81Å; F25-L34 CarbonylContact O-C 3.59Å; F25-L34 WeakPolarHBondContact O-CA 3.27Å; F25-K35 PolarHBondContact N-O 3.38Å; F25-K35 PolarHBondContact O-N 3.31Å; F25-T37 HydrophobicContact CD2-CG2 4.3Å; F25-T37 HydrophobicContact CE2-CG2 4.24Å; F25-T37 WeakPolarHBondContact CE2-OG1 3.41Å
26	P	86.9	Confident	86.2	Confident	48 Å²	48	55.5 Å²	55.5	31%	0.312	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	147.4	167.9	28.6	-34.6	0	0	0	112	Y28	P26-Y28 PolarHBondContact O-N 3.23Å
27	G	80.1	Confident	86.7	Confident	14 Å²	14	53.9 Å²	53.9	14%	0.144	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.8	125.1	176.6	0	0	0	0	0	113	S29 R33	G27-S29 PolarHBondContact O-N 3.44Å; G27-S29 VanDerWaalsContact O-N 3.08Å; G27-R33 PolarHBondContact N-O 3.14Å
28	Y	73.4	Confident	87.1	Confident	186 Å²	186	51.8 Å²	51.8	73%	0.729	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-7.4	-177.8	-68.4	-72.3	0	0	0	115.8	P26 F198	P26-Y28 PolarHBondContact O-N 3.23Å; Y28-F198 VanDerWaalsContact O-CE2 3.28Å; Y28-F198 WeakPolarHBondContact O-CE2 3.37Å
29	S	74.2	Confident	87.3	Confident	102 Å²	102	54.9 Å²	54.9	71%	0.713	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.8	2.5	-176	67.9	0	0	0	0	114.3	G27	G27-S29 PolarHBondContact O-N 3.44Å; G27-S29 VanDerWaalsContact O-N 3.08Å
30	D	80.1	Confident	87.4	Confident	54 Å²	54	55.5 Å²	55.5	29%	0.289	27%	0.269	S	S	.	.			trans	-156.5	116.8	-165.9	-177.5	-5.8	0	0	0	109.3	R32 R33	D30-R32 PolarHBondContact O-N 2.9Å; D30-R32 WeakPolarHBondContact OD1-CB 3.44Å; D30-R32 PolarHBondContact OD1-N 2.8Å; D30-R33 HydrophobicContact CB-CB 4.29Å; D30-R33 HydrophobicContact CB-CG 4.3Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 WeakPolarHBondContact OD2-CD 3.3Å; D30-R33 WeakPolarHBondContact OD2-CG 3.41Å
31	N	83.4	Confident	87.4	Confident	52 Å²	52	55.1 Å²	55.1	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	10.6	177.6	69.7	-14.8	0	0	0	113.1	P86 D87 T196 F198	N31-P86 HydrophobicContact CB-CB 4.33Å; N31-P86 VanDerWaalsContact ND2-CB 3.27Å; N31-P86 WeakPolarHBondContact ND2-CB 3.34Å; N31-P86 VanDerWaalsContact O-CA 3.25Å; N31-P86 WeakPolarHBondContact O-CA 3.41Å; N31-D87 PolarHBondContact ND2-OD2 3.1Å; N31-T196 CarbonylContact C-O 3.55Å; N31-T196 VanDerWaalsContact CA-O 3.28Å; N31-T196 WeakPolarHBondContact CA-O 3.49Å; N31-T196 WeakPolarHBondContact CB-O 3.37Å; N31-T196 VanDerWaalsContact O-CB 3.3Å; N31-T196 WeakPolarHBondContact O-CB 3.45Å; N31-F198 HydrophobicContact CB-CB 3.92Å
32	R	85.3	Confident	87.3	Confident	137 Å²	137	52.1 Å²	52.1	52%	0.517	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	12.8	172.2	-55.9	-168	-177.3	-158.4	0.3	113.2	D30 T82 N83 L84	D30-R32 PolarHBondContact O-N 2.9Å; D30-R32 WeakPolarHBondContact OD1-CB 3.44Å; D30-R32 PolarHBondContact OD1-N 2.8Å; R32-T82 CarbonylContact O-C 3.58Å; R32-N83 PolarHBondContact O-N 2.91Å; R32-L84 VanDerWaalsContact CB-O 3.25Å; R32-L84 WeakPolarHBondContact CB-O 3.38Å; R32-L84 WeakPolarHBondContact CG-O 3.42Å; R32-L84 WeakPolarHBondContact O-CB 3.48Å; R32-L84 PolarHBondContact O-N 2.94Å
33	R	86.5	Confident	87	Confident	76 Å²	76	54.2 Å²	54.2	29%	0.287	27%	0.271	S	S	.	.			trans	-126.1	142.7	-177	-76	172.3	71.3	-175.8	1	113.4	G27 D30 D80 L81 T82	G27-R33 PolarHBondContact N-O 3.14Å; D30-R33 HydrophobicContact CB-CB 4.29Å; D30-R33 HydrophobicContact CB-CG 4.3Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 WeakPolarHBondContact OD2-CD 3.3Å; D30-R33 WeakPolarHBondContact OD2-CG 3.41Å; R33-D80 IonicContact CZ-OD2 3.29Å; R33-D80 IonicContact NH2-OD2 3.88Å; R33-D80 PolarHBondContact NH2-OD2 3.13Å; R33-L81 VanDerWaalsContact CA-O 3.23Å; R33-L81 WeakPolarHBondContact CA-O 3.47Å; R33-T82 HydrophobicContact CG-CG2 4.02Å
34	L	88.8	Confident	86.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	170.3	-64.8	175.6	0	0	0	108.7	V24 F25 L81 L84 Y90 I92 T194 T196	V24-L34 HydrophobicContact CG1-CB 3.9Å; F25-L34 CarbonylContact O-C 3.59Å; F25-L34 WeakPolarHBondContact O-CA 3.27Å; L34-L81 HydrophobicContact CB-CB 4.29Å; L34-L81 HydrophobicContact CB-CD1 4.2Å; L34-L81 PolarHBondContact N-O 2.96Å; L34-L81 WeakPolarHBondContact O-CB 3.36Å; L34-L81 PolarHBondContact O-N 2.79Å; L34-L84 HydrophobicContact CB-CD1 3.96Å; L34-L84 HydrophobicContact CD1-CD1 3.54Å; L34-L84 HydrophobicContact CG-CD1 3.58Å; L34-Y90 HydrophobicContact CD1-CD2 4.04Å; L34-Y90 HydrophobicContact CD1-CG 4.2Å; L34-I92 HydrophobicContact CB-CD1 4.37Å; L34-I92 HydrophobicContact CD1-CD1 3.43Å; L34-I92 VanDerWaalsContact CD1-CD1 3.43Å; L34-T194 HydrophobicContact CD1-CG2 3.63Å; L34-T194 HydrophobicContact CD2-CG2 3.89Å; L34-T194 HydrophobicContact CG-CG2 4.33Å; L34-T196 HydrophobicContact CD1-CG2 3.85Å; L34-T196 HydrophobicContact CD2-CG2 3.93Å; L34-T196 HydrophobicContact CG-CG2 3.71Å
35	K	90.4	Very high	86.4	Confident	57 Å²	57	58.7 Å²	58.7	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.1	178.7	180	163.1	-179.2	166.2	0	110.2	V24 F25 T37 E78 D80	V24-K35 WeakPolarHBondContact CA-O 3.19Å; F25-K35 PolarHBondContact N-O 3.38Å; F25-K35 PolarHBondContact O-N 3.31Å; K35-T37 HydrophobicContact CG-CG2 4.17Å; K35-E78 WeakPolarHBondContact CE-OE2 3.41Å; K35-E78 IonicContact NZ-OE1 3.82Å; K35-E78 PolarHBondContact NZ-OE1 3.19Å; K35-E78 IonicContact NZ-OE2 3.8Å; K35-E78 PolarHBondContact NZ-OE2 3.21Å; K35-D80 WeakPolarHBondContact CB-OD1 3.38Å; K35-D80 WeakPolarHBondContact CD-OD1 3.42Å; K35-D80 WeakPolarHBondContact CG-OD1 3.38Å
36	A	91.4	Very high	86.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141	171.4	0	0	0	0	0	110.1	F22 V24 W38 I55 E78 F79	F22-A36 HydrophobicContact CE2-CB 4.31Å; V24-A36 HydrophobicContact CG1-CB 4.38Å; V24-A36 HydrophobicContact CG2-CB 4.12Å; A36-W38 HydrophobicContact CB-CZ3 4.34Å; A36-I55 HydrophobicContact CB-CD1 4.23Å; A36-E78 CarbonylContact O-C 3.55Å; A36-E78 VanDerWaalsContact O-CA 3.26Å; A36-E78 WeakPolarHBondContact O-CA 3.44Å; A36-F79 PolarHBondContact N-O 3.4Å; A36-F79 PolarHBondContact O-N 3.22Å
37	T	93.1	Very high	86.4	Confident	22 Å²	22	58.8 Å²	58.8	14%	0.135	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.3	179.2	59.4	0	0	0	0	110.1	F22 K23 F25 K35 K77 E78	F22-T37 CarbonylContact C-O 3.57Å; F22-T37 WeakPolarHBondContact CA-O 3.4Å; F22-T37 WeakPolarHBondContact CD2-O 3.27Å; K23-T37 PolarHBondContact N-O 2.79Å; K23-T37 PolarHBondContact O-N 3.09Å; K23-T37 PolarHBondContact O-OG1 2.75Å; F25-T37 HydrophobicContact CD2-CG2 4.3Å; F25-T37 HydrophobicContact CE2-CG2 4.24Å; F25-T37 WeakPolarHBondContact CE2-OG1 3.41Å; K35-T37 HydrophobicContact CG-CG2 4.17Å; T37-K77 CarbonylContact C-O 3.47Å; T37-K77 WeakPolarHBondContact CA-O 3.28Å; T37-E78 HydrophobicContact CG2-CB 4.21Å
38	W	93.8	Very high	86.6	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.1	177	58.3	93.4	0	0	0	112	L19 Y21 F22 A36 W40 I55 I71 I76 K77 F79 F94	L19-W38 HydrophobicContact CD1-CB 3.75Å; L19-W38 HydrophobicContact CD1-CG 4.45Å; Y21-W38 WeakPolarHBondContact O-CA 3.35Å; Y21-W38 VanDerWaalsContact O-CB 3.28Å; Y21-W38 WeakPolarHBondContact O-CB 3.38Å; F22-W38 HydrophobicContact CD2-CB 4.32Å; A36-W38 HydrophobicContact CB-CZ3 4.34Å; W38-W40 AromaticContact CD1-CE2 3.93Å; W38-W40 AromaticContact CD1-CH2 3.89Å; W38-W40 AromaticContact CD1-CZ2 3.7Å; W38-W40 AromaticContact NE1-CE2 3.9Å; W38-W40 AromaticContact NE1-CH2 3.8Å; W38-W40 AromaticContact NE1-CZ2 3.38Å; W38-I55 HydrophobicContact CH2-CD1 4.32Å; W38-I55 HydrophobicContact CZ3-CD1 4.02Å; W38-I71 HydrophobicContact CH2-CD1 3.56Å; W38-I71 HydrophobicContact CZ2-CD1 3.74Å; W38-I71 HydrophobicContact CZ2-CG2 4.36Å; W38-I71 HydrophobicContact CZ3-CD1 4.47Å; W38-I76 VanDerWaalsContact CE2-O 3.32Å; W38-I76 HydrophobicContact CH2-CG2 3.98Å; W38-I76 HydrophobicContact CZ2-CB 4.3Å; W38-I76 HydrophobicContact CZ2-CG2 3.74Å; W38-I76 WeakPolarHBondContact CZ2-O 3.33Å; W38-I76 PolarHBondContact NE1-O 3.21Å; W38-K77 PolarHBondContact N-O 2.8Å; W38-K77 WeakPolarHBondContact O-CB 3.47Å; W38-F79 HydrophobicContact CH2-CB 3.93Å; W38-F79 HydrophobicContact CZ3-CB 3.98Å; W38-F94 HydrophobicContact CB-CD1 4.33Å; W38-F94 HydrophobicContact CB-CE1 3.98Å; W38-F94 AromaticContact CD1-CE1 3.71Å; W38-F94 AromaticContact CD1-CZ 3.87Å; W38-F94 AromaticContact CD2-CE1 3.78Å; W38-F94 HydrophobicContact CD2-CE1 3.78Å; W38-F94 HydrophobicContact CD2-CE2 4.22Å; W38-F94 AromaticContact CD2-CZ 3.6Å; W38-F94 HydrophobicContact CD2-CZ 3.6Å; W38-F94 AromaticContact CE2-CZ 3.54Å; W38-F94 HydrophobicContact CE3-CE1 4.44Å; W38-F94 HydrophobicContact CE3-CE2 4.34Å; W38-F94 HydrophobicContact CE3-CZ 4.16Å; W38-F94 HydrophobicContact CG-CD1 4.28Å; W38-F94 AromaticContact CG-CE1 3.53Å; W38-F94 HydrophobicContact CG-CE1 3.53Å; W38-F94 AromaticContact CG-CZ 3.83Å; W38-F94 HydrophobicContact CG-CZ 3.83Å; W38-F94 HydrophobicContact CZ2-CE2 4.4Å; W38-F94 HydrophobicContact CZ2-CZ 4.08Å; W38-F94 AromaticContact NE1-CZ 3.7Å
39	D	92.7	Very high	87.2	Confident	65 Å²	65	56 Å²	56	35%	0.348	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.9	167.2	-95.4	-61.6	0	0	0	110.5	S20 Y21 K77	S20-D39 PolarHBondContact N-O 2.79Å; S20-D39 VanDerWaalsContact OG-C 3.26Å; S20-D39 WeakPolarHBondContact OG-CB 3.44Å; S20-D39 PolarHBondContact OG-O 2.82Å; Y21-D39 PolarHBondContact N-O 2.99Å; Y21-D39 PolarHBondContact O-N 3.06Å; D39-K77 WeakPolarHBondContact OD1-CD 3.33Å; D39-K77 VanDerWaalsContact OD1-CE 3.3Å; D39-K77 WeakPolarHBondContact OD1-CE 3.4Å; D39-K77 IonicContact OD1-NZ 2.66Å; D39-K77 PolarHBondContact OD1-NZ 2.94Å
40	W	92	Very high	87.9	Confident	14 Å²	14	52.2 Å²	52.2	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	156.4	171.9	-47.9	117.5	0	0	0	110.4	L18 L19 S20 W38 A46 L50 A53 Y74 F94 V96	L18-W40 HydrophobicContact CD2-CE3 4.44Å; L18-W40 HydrophobicContact CG-CE3 4.04Å; L18-W40 CarbonylContact O-C 3.49Å; L18-W40 WeakPolarHBondContact O-CA 3.3Å; L19-W40 HydrophobicContact CD1-CZ3 4.48Å; S20-W40 VanDerWaalsContact OG-C 3.28Å; S20-W40 PolarHBondContact OG-O 3.19Å; W38-W40 AromaticContact CD1-CE2 3.93Å; W38-W40 AromaticContact CD1-CH2 3.89Å; W38-W40 AromaticContact CD1-CZ2 3.7Å; W38-W40 AromaticContact NE1-CE2 3.9Å; W38-W40 AromaticContact NE1-CH2 3.8Å; W38-W40 AromaticContact NE1-CZ2 3.38Å; W40-A46 HydrophobicContact CB-CB 3.99Å; W40-A46 HydrophobicContact CD2-CB 4.05Å; W40-A46 HydrophobicContact CG-CB 3.68Å; W40-L50 HydrophobicContact CH2-CD1 4.12Å; W40-L50 HydrophobicContact CH2-CD2 4.08Å; W40-L50 HydrophobicContact CZ2-CD2 3.95Å; W40-L50 HydrophobicContact CZ3-CD1 4.5Å; W40-A53 HydrophobicContact CH2-CB 4.38Å; W40-Y74 PolarHBondContact NE1-O 2.84Å; W40-F94 HydrophobicContact CH2-CE1 4.1Å; W40-F94 HydrophobicContact CH2-CZ 4.06Å; W40-F94 HydrophobicContact CZ3-CE1 4.27Å; W40-V96 HydrophobicContact CH2-CG2 4.46Å; W40-V96 HydrophobicContact CZ3-CG1 4.33Å; W40-V96 HydrophobicContact CZ3-CG2 4.01Å
41	S	89.2	Confident	88.3	Confident	55 Å²	55	53.9 Å²	53.9	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	-74.5	-26	172.8	52	0	0	0	0	112.8	Y16 S17 L18	Y16-S41 PolarHBondContact OH-OG 2.79Å; Y16-S41 VanDerWaalsContact OH-OG 3.1Å; S17-S41 WeakPolarHBondContact O-CB 3.14Å; S17-S41 PolarHBondContact O-OG 2.99Å; L18-S41 WeakPolarHBondContact CA-OG 3.41Å; L18-S41 PolarHBondContact O-N 2.89Å; L18-S41 PolarHBondContact O-OG 3.23Å
42	S	87.2	Confident	88.6	Confident	37 Å²	37	54 Å²	54	26%	0.259	26%	0.263	S	S	.	.			trans	-153.7	139.8	161.6	168.1	0	0	0	0	110.4	E44 V45 A46	S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact OG-N 3.03Å; S42-V45 PolarHBondContact O-N 2.93Å; S42-V45 PolarHBondContact OG-N 2.92Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å
43	M	86.9	Confident	88.7	Confident	68 Å²	68	47.4 Å²	47.4	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-38.8	174.7	-64.6	-62.3	-62.2	0	0	111.7	A46 Q47 Y74 K77	M43-A46 PolarHBondContact O-N 3.34Å; M43-Q47 WeakPolarHBondContact O-CB 3.24Å; M43-Q47 PolarHBondContact O-N 3Å; M43-Y74 HydrophobicContact CE-CD2 3.8Å; M43-Y74 HydrophobicContact CE-CE2 4Å; M43-K77 VanDerWaalsContact SD-CE 3.54Å
44	E	85	Confident	88.8	Confident	144 Å²	144	45.8 Å²	45.8	67%	0.673	23%	0.233	S	C	*	.	H	α-helix	trans	-67.2	-38.6	179.4	-59.6	176.1	168.6	0	0	111.1	S42 N48	S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact OG-N 3.03Å; E44-N48 PolarHBondContact O-N 2.81Å; E44-N48 PolarHBondContact O-ND2 3.22Å
45	V	85.2	Confident	88.8	Confident	32 Å²	32	45.7 Å²	45.7	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-73.6	-36.3	176.3	-173.7	0	0	0	0	110.5	Y16 L18 S42 N48 L49	Y16-V45 HydrophobicContact CE1-CG1 3.87Å; L18-V45 HydrophobicContact CD1-CB 4.22Å; L18-V45 HydrophobicContact CD1-CG1 4.01Å; S42-V45 PolarHBondContact O-N 2.93Å; S42-V45 PolarHBondContact OG-N 2.92Å; V45-N48 PolarHBondContact O-N 3.5Å; V45-L49 HydrophobicContact CG1-CD1 3.42Å; V45-L49 VanDerWaalsContact CG1-CD1 3.42Å; V45-L49 HydrophobicContact CG1-CG 3.82Å; V45-L49 WeakPolarHBondContact O-CB 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.4Å; V45-L49 PolarHBondContact O-N 2.9Å
46	A	88.2	Confident	88.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-46.8	174	0	0	0	0	0	112	L18 W40 S42 M43 N48 L49 L50 Y74	L18-A46 HydrophobicContact CD1-CB 4.01Å; L18-A46 HydrophobicContact CD2-CB 4.49Å; W40-A46 HydrophobicContact CB-CB 3.99Å; W40-A46 HydrophobicContact CD2-CB 4.05Å; W40-A46 HydrophobicContact CG-CB 3.68Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å; M43-A46 PolarHBondContact O-N 3.34Å; A46-N48 PolarHBondContact O-N 3.07Å; A46-L49 PolarHBondContact O-N 2.87Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 2.95Å; A46-Y74 HydrophobicContact CB-CD2 4.33Å
47	Q	87.1	Confident	88.1	Confident	115 Å²	115	45.9 Å²	45.9	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-55.6	-35	176.7	-174.6	-179.3	7.3	0	0	113.2	M43 Y74	M43-Q47 WeakPolarHBondContact O-CB 3.24Å; M43-Q47 PolarHBondContact O-N 3Å; Q47-Y74 HydrophobicContact CB-CD1 4.4Å; Q47-Y74 HydrophobicContact CB-CD2 4.12Å; Q47-Y74 HydrophobicContact CB-CE1 4.11Å; Q47-Y74 HydrophobicContact CB-CE2 3.77Å; Q47-Y74 HydrophobicContact CB-CG 4.44Å; Q47-Y74 HydrophobicContact CG-CE1 3.89Å; Q47-Y74 HydrophobicContact CG-CE2 4.23Å
48	N	84.1	Confident	87.6	Confident	118 Å²	118	48.6 Å²	48.6	63%	0.631	24%	0.243	S	C	*	.	H	α-helix	trans	-94.6	-29	-175.3	-74.5	-72.7	0	0	0	114.3	E44 V45 A46	E44-N48 PolarHBondContact O-N 2.81Å; E44-N48 PolarHBondContact O-ND2 3.22Å; V45-N48 PolarHBondContact O-N 3.5Å; A46-N48 PolarHBondContact O-N 3.07Å
49	L	87.6	Confident	86.9	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.12	25%	0.246	C	C	.	.	H	α-helix	trans	-103.6	-31	-176.1	-57.8	-172.1	0	0	0	114.4	L18 V45 A46 Q51 R98 K99 Y101	L18-L49 HydrophobicContact CD2-CB 4.47Å; V45-L49 HydrophobicContact CG1-CD1 3.42Å; V45-L49 VanDerWaalsContact CG1-CD1 3.42Å; V45-L49 HydrophobicContact CG1-CG 3.82Å; V45-L49 WeakPolarHBondContact O-CB 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.4Å; V45-L49 PolarHBondContact O-N 2.9Å; A46-L49 PolarHBondContact O-N 2.87Å; L49-Q51 PolarHBondContact O-N 3.37Å; L49-R98 HydrophobicContact CB-CB 4.17Å; L49-R98 CarbonylContact O-C 3.46Å; L49-R98 WeakPolarHBondContact O-CA 3.43Å; L49-R98 WeakPolarHBondContact O-CB 3.43Å; L49-K99 HydrophobicContact CD2-CB 3.96Å; L49-K99 PolarHBondContact O-N 2.81Å; L49-Y101 HydrophobicContact CD1-CD2 4.08Å
50	L	89	Confident	85.9	Confident	24 Å²	24	50.2 Å²	50.2	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.3	-173.5	-177.4	64.7	0	0	0	110.8	L18 W40 A46 A53 V96	L18-L50 HydrophobicContact CD2-CB 4.38Å; W40-L50 HydrophobicContact CH2-CD1 4.12Å; W40-L50 HydrophobicContact CH2-CD2 4.08Å; W40-L50 HydrophobicContact CZ2-CD2 3.95Å; W40-L50 HydrophobicContact CZ3-CD1 4.5Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 2.95Å; L50-A53 HydrophobicContact CD1-CB 4.3Å; L50-V96 HydrophobicContact CD1-CG1 3.67Å
51	Q	87.6	Confident	84.5	Confident	88 Å²	88	55.2 Å²	55.2	41%	0.411	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-36.4	177.4	-172.7	57.8	77.8	0	0	112.1	L49 T97 Y185	L49-Q51 PolarHBondContact O-N 3.37Å; Q51-T97 WeakPolarHBondContact CB-O 3.37Å; Q51-T97 PolarHBondContact N-O 2.96Å; Q51-Y185 HydrophobicContact CB-CD1 4.49Å; Q51-Y185 HydrophobicContact CB-CE1 4.25Å; Q51-Y185 HydrophobicContact CG-CD1 4.46Å; Q51-Y185 HydrophobicContact CG-CE1 3.98Å
52	Q	88.8	Confident	82.9	Confident	54 Å²	54	53.6 Å²	53.6	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	150.4	170.6	53.5	175.8	9.6	0	0	108.4	I70 I71 T97	Q52-I70 HydrophobicContact CB-CG2 4.14Å; Q52-I71 CarbonylContact C-O 3.5Å; Q52-T97 PolarHBondContact N-O 2.91Å; Q52-T97 VanDerWaalsContact N-O 3.13Å; Q52-T97 PolarHBondContact NE2-OG1 2.84Å; Q52-T97 PolarHBondContact O-N 3.31Å
53	A	88.8	Confident	81.2	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.6	159.7	0	0	0	0	0	109.6	W40 L50 I71 F94 R95 V96	W40-A53 HydrophobicContact CH2-CB 4.38Å; L50-A53 HydrophobicContact CD1-CB 4.3Å; A53-I71 HydrophobicContact CB-CB 4.28Å; A53-I71 PolarHBondContact N-O 2.77Å; A53-I71 PolarHBondContact O-N 3.46Å; A53-F94 HydrophobicContact CB-CE1 4.36Å; A53-F94 HydrophobicContact CB-CE2 3.6Å; A53-F94 HydrophobicContact CB-CZ 3.5Å; A53-R95 CarbonylContact C-O 3.58Å; A53-R95 WeakPolarHBondContact CA-O 3.3Å; A53-V96 HydrophobicContact CB-CG2 4.11Å
54	K	88.5	Confident	79.2	Confident	41 Å²	41	61 Å²	61	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.2	-174.9	-64.2	-174.3	176	-164.2	0	110.3	Q68 E69 F94 R95	K54-Q68 HydrophobicContact CB-CG 4.48Å; K54-Q68 HydrophobicContact CD-CG 3.96Å; K54-Q68 HydrophobicContact CG-CG 4.3Å; K54-E69 WeakPolarHBondContact CA-O 3.2Å; K54-F94 WeakPolarHBondContact O-CA 3.2Å; K54-R95 PolarHBondContact N-O 3.47Å; K54-R95 PolarHBondContact O-N 2.73Å
55	I	87.9	Confident	77.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.9	166.9	-60.8	168.7	0	0	0	107.6	A36 W38 I71 F79 L81 I92 F94	A36-I55 HydrophobicContact CB-CD1 4.23Å; W38-I55 HydrophobicContact CH2-CD1 4.32Å; W38-I55 HydrophobicContact CZ3-CD1 4.02Å; I55-I71 HydrophobicContact CD1-CD1 3.97Å; I55-I71 HydrophobicContact CG1-CD1 4.22Å; I55-F79 HydrophobicContact CD1-CB 3.59Å; I55-F79 HydrophobicContact CD1-CD1 3.55Å; I55-F79 HydrophobicContact CD1-CG 3.81Å; I55-L81 HydrophobicContact CG2-CD1 4.35Å; I55-L81 HydrophobicContact CG2-CD2 4.06Å; I55-I92 HydrophobicContact CG2-CG2 4.01Å; I55-F94 HydrophobicContact CG1-CD2 3.64Å; I55-F94 HydrophobicContact CG1-CE2 4.02Å
56	L	84.5	Confident	75.9	Confident	27 Å²	27	63.6 Å²	63.6	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	175.3	-58.3	169.5	0	0	0	107.2	Y58 I92 C93	L56-Y58 HydrophobicContact CB-CE2 3.85Å; L56-I92 CarbonylContact O-C 3.55Å; L56-I92 WeakPolarHBondContact O-CA 3.41Å; L56-C93 HydrophobicContact CB-CB 4.35Å; L56-C93 PolarHBondContact N-O 3.02Å; L56-C93 PolarHBondContact O-N 2.81Å
57	Y	84	Confident	74.2	Confident	33 Å²	33	65 Å²	65	13%	0.129	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.6	177.3	58.8	-91.1	0	0	0	111	L65 L81 L84 Y90 L91	Y57-L65 HydrophobicContact CE2-CB 3.95Å; Y57-L81 HydrophobicContact CD1-CD2 3.44Å; Y57-L81 VanDerWaalsContact CD1-CD2 3.44Å; Y57-L81 HydrophobicContact CE1-CD2 3.62Å; Y57-L81 HydrophobicContact CG-CD2 4.28Å; Y57-L84 HydrophobicContact CD2-CD2 4.06Å; Y57-L84 HydrophobicContact CE2-CD2 3.84Å; Y57-Y90 HydrophobicContact CD2-CD1 4.3Å; Y57-Y90 HydrophobicContact CD2-CE1 4.31Å; Y57-L91 CarbonylContact C-O 3.57Å; Y57-L91 WeakPolarHBondContact CA-O 3.26Å
58	Y	81	Confident	72.9	Confident	80 Å²	80	63.4 Å²	63.4	31%	0.314	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.5	-172.9	-54.2	-89.9	0	0	0	110.3	L56 Y90 L91	L56-Y58 HydrophobicContact CB-CE2 3.85Å; Y58-Y90 WeakPolarHBondContact O-CA 3.4Å; Y58-L91 HydrophobicContact CD2-CD2 4.47Å; Y58-L91 PolarHBondContact N-O 2.6Å; Y58-L91 PolarHBondContact O-N 3.11Å
59	N	79.8	Confident	72	Confident	16 Å²	16	60.4 Å²	60.4	9%	0.086	31%	0.313	C	S	.	.			trans	-142.6	155.4	176.8	168.5	25.5	0	0	0	108.5	L61 D62 T88 K89 Y90	N59-L61 WeakPolarHBondContact ND2-CB 3.28Å; N59-L61 PolarHBondContact O-N 2.81Å; N59-L61 PolarHBondContact OD1-N 3.47Å; N59-D62 HydrophobicContact CB-CB 4.06Å; N59-D62 PolarHBondContact ND2-N 2.93Å; N59-D62 PolarHBondContact ND2-OD2 3.13Å; N59-T88 WeakPolarHBondContact ND2-CG2 3.34Å; N59-T88 WeakPolarHBondContact OD1-CG2 3.45Å; N59-K89 PolarHBondContact OD1-O 2.77Å; N59-Y90 HydrophobicContact CB-CD1 3.7Å; N59-Y90 HydrophobicContact CB-CE1 3.48Å; N59-Y90 VanDerWaalsContact CB-CE1 3.48Å; N59-Y90 HydrophobicContact CB-CG 4.44Å
60	D	70.8	Confident	71.2	Confident	86 Å²	86	63 Å²	63	46%	0.46	33%	0.326	S	S	.	.	S	Bend	trans	-70.6	-12.4	175.2	-75.9	-41.8	0	0	0	112.7	M1 L2	M1-D60 VanDerWaalsContact CA-OD1 3.28Å; M1-D60 WeakPolarHBondContact CA-OD1 3.45Å; M1-D60 PolarHBondContact N-OD1 3.29Å; L2-D60 WeakPolarHBondContact CD1-OD2 3.39Å; L2-D60 VanDerWaalsContact CG-OD2 3.3Å; L2-D60 WeakPolarHBondContact CG-OD2 3.36Å; L2-D60 PolarHBondContact N-OD1 3.38Å
61	L	62.9	Low	70.6	Confident	118 Å²	118	62 Å²	62	62%	0.618	32%	0.321	S	S	*	.	S	Bend	trans	-98.6	-45.3	170.6	-46.4	173.8	0	0	0	112.6	N59 V63 T88	N59-L61 WeakPolarHBondContact ND2-CB 3.28Å; N59-L61 PolarHBondContact O-N 2.81Å; N59-L61 PolarHBondContact OD1-N 3.47Å; L61-V63 PolarHBondContact O-N 2.98Å; L61-T88 HydrophobicContact CD1-CG2 4.49Å
62	D	56.8	Low	70.2	Confident	22 Å²	22	64.4 Å²	64.4	12%	0.118	33%	0.332	C	S	.	.			trans	-88.3	81.2	-178.9	-53.1	-60.1	0	0	0	111.6	N59 L65 H85 Y90	N59-D62 HydrophobicContact CB-CB 4.06Å; N59-D62 PolarHBondContact ND2-N 2.93Å; N59-D62 PolarHBondContact ND2-OD2 3.13Å; D62-L65 HydrophobicContact CB-CB 4.36Å; D62-L65 HydrophobicContact CB-CD1 4.12Å; D62-H85 IonicContact OD1-CD2 2.99Å; D62-H85 PolarHBondContact OD1-CD2 3.08Å; D62-H85 VanDerWaalsContact OD1-CD2 3.29Å; D62-H85 IonicContact OD1-NE2 2.65Å; D62-H85 IonicContact OD2-CD2 2.72Å; D62-Y90 WeakPolarHBondContact OD2-CE1 3.36Å; D62-Y90 VanDerWaalsContact OD2-CZ 3.3Å; D62-Y90 PolarHBondContact OD2-OH 3.23Å
63	V	50.5	Low	70	Confident	107 Å²	107	64.6 Å²	64.6	65%	0.648	34%	0.335	S	S	*	.	S	Bend	trans	-76.6	-31.7	177.1	-178.2	0	0	0	0	112.2	L61	L61-V63 PolarHBondContact O-N 2.98Å
64	D	45.1	Very low	69.9	Low	152 Å²	152	66.9 Å²	66.9	81%	0.813	34%	0.343	S	S	*	.	S	Bend	trans	-107.4	-0.5	-167.2	-69	-63.4	0	0	0	115.5	L66	D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 2.8Å
65	L	48.6	Very low	69.8	Low	91 Å²	91	70.4 Å²	70.4	48%	0.476	36%	0.361	S	S	.	.			trans	-81.6	71.7	-179.3	-90.3	152.4	0	0	0	112.3	Y57 D62 G67	Y57-L65 HydrophobicContact CE2-CB 3.95Å; D62-L65 HydrophobicContact CB-CB 4.36Å; D62-L65 HydrophobicContact CB-CD1 4.12Å; L65-G67 PolarHBondContact O-N 2.88Å
66	L	51.1	Low	69.8	Low	140 Å²	140	73.2 Å²	73.2	73%	0.733	38%	0.375	S	S	*	.			trans	-68.3	60	169.1	-88.7	165.6	0	0	0	112.3	D64 Q68	D64-L66 VanDerWaalsContact C-N 3.29Å; D64-L66 PolarHBondContact O-N 2.8Å; L66-Q68 PolarHBondContact O-N 2.96Å
67	G	52.6	Low	70.1	Confident	29 Å²	29	75.3 Å²	75.3	30%	0.299	38%	0.383	S	S	.	.			trans	-72.9	61.1	174.4	0	0	0	0	0	113	L65 E69	L65-G67 PolarHBondContact O-N 2.88Å; G67-E69 PolarHBondContact O-N 2.95Å; G67-E69 VanDerWaalsContact O-N 3.17Å
68	Q	61.4	Low	70.4	Confident	82 Å²	82	77.2 Å²	77.2	38%	0.383	39%	0.393	S	S	.	.			trans	-77.1	93.4	177.7	-178.1	174	123.7	0	0	110.6	K54 L66 I70	K54-Q68 HydrophobicContact CB-CG 4.48Å; K54-Q68 HydrophobicContact CD-CG 3.96Å; K54-Q68 HydrophobicContact CG-CG 4.3Å; L66-Q68 PolarHBondContact O-N 2.96Å; Q68-I70 HydrophobicContact CG-CG1 4.16Å
69	E	64.8	Low	70.8	Confident	55 Å²	55	75.7 Å²	75.7	26%	0.257	39%	0.388	S	S	.	.			trans	-73.8	138	159.1	-158.6	-173.1	-133.9	0	0	109.5	K54 G67 I71 F79	K54-E69 WeakPolarHBondContact CA-O 3.2Å; G67-E69 PolarHBondContact O-N 2.95Å; G67-E69 VanDerWaalsContact O-N 3.17Å; E69-I71 WeakPolarHBondContact OE2-CG1 3.45Å; E69-F79 HydrophobicContact CB-CZ 4.42Å; E69-F79 HydrophobicContact CG-CE2 4.44Å; E69-F79 VanDerWaalsContact OE1-CE2 3.24Å; E69-F79 WeakPolarHBondContact OE1-CE2 3.48Å; E69-F79 WeakPolarHBondContact OE2-CD2 3.5Å; E69-F79 WeakPolarHBondContact OE2-CE2 3.29Å
70	I	70.5	Confident	71.2	Confident	78 Å²	78	77.4 Å²	77.4	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	100.5	175.8	-52.4	-177.7	0	0	0	108.5	Q52 Q68 Q72	Q52-I70 HydrophobicContact CB-CG2 4.14Å; Q68-I70 HydrophobicContact CG-CG1 4.16Å; I70-Q72 HydrophobicContact CG2-CG 4.2Å
71	I	76.7	Confident	72	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.2	177.6	-65.9	148.5	0	0	0	108	W38 Q52 A53 I55 E69 D73 I76 F94	W38-I71 HydrophobicContact CH2-CD1 3.56Å; W38-I71 HydrophobicContact CZ2-CD1 3.74Å; W38-I71 HydrophobicContact CZ2-CG2 4.36Å; W38-I71 HydrophobicContact CZ3-CD1 4.47Å; Q52-I71 CarbonylContact C-O 3.5Å; A53-I71 HydrophobicContact CB-CB 4.28Å; A53-I71 PolarHBondContact N-O 2.77Å; A53-I71 PolarHBondContact O-N 3.46Å; I55-I71 HydrophobicContact CD1-CD1 3.97Å; I55-I71 HydrophobicContact CG1-CD1 4.22Å; E69-I71 WeakPolarHBondContact OE2-CG1 3.45Å; I71-D73 WeakPolarHBondContact CG2-O 3.11Å; I71-I76 HydrophobicContact CG2-CB 4.16Å; I71-I76 HydrophobicContact CG2-CD1 4.48Å; I71-F94 HydrophobicContact CD1-CE2 3.94Å
72	Q	79.8	Confident	73	Confident	139 Å²	139	70 Å²	70	65%	0.65	36%	0.359	S	S	*	.			trans	-104.9	-17.5	173	-65.9	179.7	-10.1	0	0	112.3	I70	I70-Q72 HydrophobicContact CG2-CG 4.2Å
73	D	84.4	Confident	74.3	Confident	58 Å²	58	73.9 Å²	73.9	31%	0.31	38%	0.381	S	S	.	.			trans	-88.9	116.8	179	-177.5	4.5	0	0	0	110.6	I71 H75 I76	I71-D73 WeakPolarHBondContact CG2-O 3.11Å; D73-H75 PolarHBondContact O-N 2.97Å; D73-H75 WeakPolarHBondContact OD1-CB 3.26Å; D73-H75 IonicContact OD1-CD2 3.22Å; D73-H75 PolarHBondContact OD1-CD2 2.94Å; D73-H75 IonicContact OD1-CG 3.58Å; D73-H75 PolarHBondContact OD1-N 2.77Å; D73-I76 HydrophobicContact CB-CD1 4Å; D73-I76 HydrophobicContact CB-CG1 4.01Å; D73-I76 PolarHBondContact O-N 2.77Å
74	Y	85.5	Confident	75.9	Confident	47 Å²	47	69.2 Å²	69.2	18%	0.184	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11	178.1	71.6	-75.6	0	0	0	113.3	W40 M43 A46 Q47 I76	W40-Y74 PolarHBondContact NE1-O 2.84Å; M43-Y74 HydrophobicContact CE-CD2 3.8Å; M43-Y74 HydrophobicContact CE-CE2 4Å; A46-Y74 HydrophobicContact CB-CD2 4.33Å; Q47-Y74 HydrophobicContact CB-CD1 4.4Å; Q47-Y74 HydrophobicContact CB-CD2 4.12Å; Q47-Y74 HydrophobicContact CB-CE1 4.11Å; Q47-Y74 HydrophobicContact CB-CE2 3.77Å; Q47-Y74 HydrophobicContact CB-CG 4.44Å; Q47-Y74 HydrophobicContact CG-CE1 3.89Å; Q47-Y74 HydrophobicContact CG-CE2 4.23Å; Y74-I76 VanDerWaalsContact C-N 3.31Å
75	H	87.5	Confident	77.7	Confident	116 Å²	116	66.4 Å²	66.4	54%	0.537	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.9	169.6	-64	-69.2	0	0	0	112.8	D73 K77	D73-H75 PolarHBondContact O-N 2.97Å; D73-H75 WeakPolarHBondContact OD1-CB 3.26Å; D73-H75 IonicContact OD1-CD2 3.22Å; D73-H75 PolarHBondContact OD1-CD2 2.94Å; D73-H75 IonicContact OD1-CG 3.58Å; D73-H75 PolarHBondContact OD1-N 2.77Å; H75-K77 PolarHBondContact O-N 2.75Å
76	I	86.8	Confident	79.4	Confident	58 Å²	58	64 Å²	64	30%	0.297	32%	0.324	S	S	.	.			trans	-75.1	125.8	175.7	-53.8	178	0	0	0	108.8	W38 I71 D73 Y74 E78	W38-I76 VanDerWaalsContact CE2-O 3.32Å; W38-I76 HydrophobicContact CH2-CG2 3.98Å; W38-I76 HydrophobicContact CZ2-CB 4.3Å; W38-I76 HydrophobicContact CZ2-CG2 3.74Å; W38-I76 WeakPolarHBondContact CZ2-O 3.33Å; W38-I76 PolarHBondContact NE1-O 3.21Å; I71-I76 HydrophobicContact CG2-CB 4.16Å; I71-I76 HydrophobicContact CG2-CD1 4.48Å; D73-I76 HydrophobicContact CB-CD1 4Å; D73-I76 HydrophobicContact CB-CG1 4.01Å; D73-I76 PolarHBondContact O-N 2.77Å; Y74-I76 VanDerWaalsContact C-N 3.31Å; I76-E78 WeakPolarHBondContact CG2-O 3.23Å
77	K	90.7	Very high	80.8	Confident	71 Å²	71	61.6 Å²	61.6	31%	0.309	31%	0.311	S	S	.	.			trans	-128	-5.2	-178.9	-70	-170.2	176.1	-167.7	0	114.1	T37 W38 D39 M43 H75	T37-K77 CarbonylContact C-O 3.47Å; T37-K77 WeakPolarHBondContact CA-O 3.28Å; W38-K77 PolarHBondContact N-O 2.8Å; W38-K77 WeakPolarHBondContact O-CB 3.47Å; D39-K77 WeakPolarHBondContact OD1-CD 3.33Å; D39-K77 VanDerWaalsContact OD1-CE 3.3Å; D39-K77 WeakPolarHBondContact OD1-CE 3.4Å; D39-K77 IonicContact OD1-NZ 2.66Å; D39-K77 PolarHBondContact OD1-NZ 2.94Å; M43-K77 VanDerWaalsContact SD-CE 3.54Å; H75-K77 PolarHBondContact O-N 2.75Å
78	E	91.2	Very high	82.3	Confident	74 Å²	74	61.2 Å²	61.2	35%	0.346	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.6	178.6	60.3	174.3	-126.1	0	0	111	K35 A36 T37 I76	K35-E78 WeakPolarHBondContact CE-OE2 3.41Å; K35-E78 IonicContact NZ-OE1 3.82Å; K35-E78 PolarHBondContact NZ-OE1 3.19Å; K35-E78 IonicContact NZ-OE2 3.8Å; K35-E78 PolarHBondContact NZ-OE2 3.21Å; A36-E78 CarbonylContact O-C 3.55Å; A36-E78 VanDerWaalsContact O-CA 3.26Å; A36-E78 WeakPolarHBondContact O-CA 3.44Å; T37-E78 HydrophobicContact CG2-CB 4.21Å; I76-E78 WeakPolarHBondContact CG2-O 3.23Å
79	F	89.6	Confident	83.5	Confident	47 Å²	47	61.1 Å²	61.1	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137	173.8	-178.8	-104.9	0	0	0	110.9	A36 W38 I55 E69 L81	A36-F79 PolarHBondContact N-O 3.4Å; A36-F79 PolarHBondContact O-N 3.22Å; W38-F79 HydrophobicContact CH2-CB 3.93Å; W38-F79 HydrophobicContact CZ3-CB 3.98Å; I55-F79 HydrophobicContact CD1-CB 3.59Å; I55-F79 HydrophobicContact CD1-CD1 3.55Å; I55-F79 HydrophobicContact CD1-CG 3.81Å; E69-F79 HydrophobicContact CB-CZ 4.42Å; E69-F79 HydrophobicContact CG-CE2 4.44Å; E69-F79 VanDerWaalsContact OE1-CE2 3.24Å; E69-F79 WeakPolarHBondContact OE1-CE2 3.48Å; E69-F79 WeakPolarHBondContact OE2-CD2 3.5Å; E69-F79 WeakPolarHBondContact OE2-CE2 3.29Å; F79-L81 HydrophobicContact CD1-CD2 4.28Å; F79-L81 HydrophobicContact CD1-CG 4.03Å; F79-L81 HydrophobicContact CE1-CD2 3.95Å; F79-L81 HydrophobicContact CE1-CG 4.04Å
80	D	87.8	Confident	84.5	Confident	53 Å²	53	58.5 Å²	58.5	28%	0.283	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.9	177.1	-81.7	-5.5	0	0	0	110.2	R33 K35	R33-D80 IonicContact CZ-OD2 3.29Å; R33-D80 IonicContact NH2-OD2 3.88Å; R33-D80 PolarHBondContact NH2-OD2 3.13Å; K35-D80 WeakPolarHBondContact CB-OD1 3.38Å; K35-D80 WeakPolarHBondContact CD-OD1 3.42Å; K35-D80 WeakPolarHBondContact CG-OD1 3.38Å
81	L	86.9	Confident	85.3	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.5	167.3	-64.8	147.6	0	0	0	108.4	R33 L34 I55 Y57 F79 L84 I92	R33-L81 VanDerWaalsContact CA-O 3.23Å; R33-L81 WeakPolarHBondContact CA-O 3.47Å; L34-L81 HydrophobicContact CB-CB 4.29Å; L34-L81 HydrophobicContact CB-CD1 4.2Å; L34-L81 PolarHBondContact N-O 2.96Å; L34-L81 WeakPolarHBondContact O-CB 3.36Å; L34-L81 PolarHBondContact O-N 2.79Å; I55-L81 HydrophobicContact CG2-CD1 4.35Å; I55-L81 HydrophobicContact CG2-CD2 4.06Å; Y57-L81 HydrophobicContact CD1-CD2 3.44Å; Y57-L81 VanDerWaalsContact CD1-CD2 3.44Å; Y57-L81 HydrophobicContact CE1-CD2 3.62Å; Y57-L81 HydrophobicContact CG-CD2 4.28Å; F79-L81 HydrophobicContact CD1-CD2 4.28Å; F79-L81 HydrophobicContact CD1-CG 4.03Å; F79-L81 HydrophobicContact CE1-CD2 3.95Å; F79-L81 HydrophobicContact CE1-CG 4.04Å; L81-L84 HydrophobicContact CB-CD1 4Å; L81-I92 HydrophobicContact CD1-CD1 3.71Å; L81-I92 HydrophobicContact CD1-CG2 4.3Å
82	T	85.7	Confident	85.9	Confident	42 Å²	42	56 Å²	56	26%	0.258	28%	0.277	S	S	.	.			trans	-119.9	167.2	-176.5	58	0	0	0	0	112.1	R32 R33 L84	R32-T82 CarbonylContact O-C 3.58Å; R33-T82 HydrophobicContact CG-CG2 4.02Å; T82-L84 PolarHBondContact O-N 3.14Å
83	N	82.5	Confident	86.3	Confident	105 Å²	105	49.6 Å²	49.6	56%	0.561	25%	0.247	S	C	*	.	S	Bend	trans	62.1	24.2	174.9	-59.5	-4.5	0	0	0	114.6	R32	R32-N83 PolarHBondContact O-N 2.91Å
84	L	85	Confident	86.6	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.042	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-75.4	160	176.1	-57.6	173.6	0	0	0	111.4	R32 L34 Y57 L81 T82 Y90 T196	R32-L84 VanDerWaalsContact CB-O 3.25Å; R32-L84 WeakPolarHBondContact CB-O 3.38Å; R32-L84 WeakPolarHBondContact CG-O 3.42Å; R32-L84 WeakPolarHBondContact O-CB 3.48Å; R32-L84 PolarHBondContact O-N 2.94Å; L34-L84 HydrophobicContact CB-CD1 3.96Å; L34-L84 HydrophobicContact CD1-CD1 3.54Å; L34-L84 HydrophobicContact CG-CD1 3.58Å; Y57-L84 HydrophobicContact CD2-CD2 4.06Å; Y57-L84 HydrophobicContact CE2-CD2 3.84Å; L81-L84 HydrophobicContact CB-CD1 4Å; T82-L84 PolarHBondContact O-N 3.14Å; L84-Y90 HydrophobicContact CB-CE2 4Å; L84-Y90 HydrophobicContact CD1-CE2 4.48Å; L84-Y90 HydrophobicContact CD2-CE1 3.96Å; L84-T196 HydrophobicContact CB-CG2 3.83Å; L84-T196 HydrophobicContact CD1-CG2 3.83Å
85	H	82.4	Confident	86.8	Confident	93 Å²	93	47.9 Å²	47.9	43%	0.431	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-66.7	139.6	171.9	-90	-63.2	0	0	0	111.2	D62 T88 Y90 T196	D62-H85 IonicContact OD1-CD2 2.99Å; D62-H85 PolarHBondContact OD1-CD2 3.08Å; D62-H85 VanDerWaalsContact OD1-CD2 3.29Å; D62-H85 IonicContact OD1-NE2 2.65Å; D62-H85 IonicContact OD2-CD2 2.72Å; H85-T88 HydrophobicContact CB-CG2 4.22Å; H85-T88 WeakPolarHBondContact O-CB 3.31Å; H85-Y90 PolarHBondContact N-OH 3.25Å; H85-T196 WeakPolarHBondContact O-CB 3.28Å; H85-T196 PolarHBondContact O-OG1 3.46Å
86	P	84.5	Confident	87	Confident	42 Å²	42	42.4 Å²	42.4	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	150.9	-179.4	29.4	-34.9	0	0	0	113.6	N31 T88	N31-P86 HydrophobicContact CB-CB 4.33Å; N31-P86 VanDerWaalsContact ND2-CB 3.27Å; N31-P86 WeakPolarHBondContact ND2-CB 3.34Å; N31-P86 VanDerWaalsContact O-CA 3.25Å; N31-P86 WeakPolarHBondContact O-CA 3.41Å; P86-T88 WeakPolarHBondContact O-CB 3.42Å; P86-T88 PolarHBondContact O-N 3.47Å; P86-T88 PolarHBondContact O-OG1 2.66Å
87	D	81.3	Confident	87.1	Confident	88 Å²	88	41.1 Å²	41.1	47%	0.471	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	27.7	173.9	-60.7	-72.3	0	0	0	114.3	N31 T196 R197	N31-D87 PolarHBondContact ND2-OD2 3.1Å; D87-T196 PolarHBondContact N-OG1 2.95Å; D87-T196 VanDerWaalsContact N-OG1 3.16Å; D87-R197 VanDerWaalsContact OD1-CA 3.31Å; D87-R197 WeakPolarHBondContact OD1-CA 3.46Å; D87-R197 WeakPolarHBondContact OD1-CG 3.4Å
88	T	83.8	Confident	87	Confident	22 Å²	22	37.7 Å²	37.7	14%	0.135	19%	0.191	C	C	.	.			trans	-113	153.2	-167.6	-67.8	0	0	0	0	110.9	N59 L61 H85 P86 Y90 F195 T196	N59-T88 WeakPolarHBondContact ND2-CG2 3.34Å; N59-T88 WeakPolarHBondContact OD1-CG2 3.45Å; L61-T88 HydrophobicContact CD1-CG2 4.49Å; H85-T88 HydrophobicContact CB-CG2 4.22Å; H85-T88 WeakPolarHBondContact O-CB 3.31Å; P86-T88 WeakPolarHBondContact O-CB 3.42Å; P86-T88 PolarHBondContact O-N 3.47Å; P86-T88 PolarHBondContact O-OG1 2.66Å; T88-Y90 HydrophobicContact CG2-CD2 4.36Å; T88-Y90 HydrophobicContact CG2-CE2 3.74Å; T88-F195 CarbonylContact O-C 3.58Å; T88-F195 WeakPolarHBondContact O-CA 3.43Å; T88-T196 PolarHBondContact N-OG1 2.83Å; T88-T196 PolarHBondContact O-N 2.93Å; T88-T196 PolarHBondContact O-OG1 2.88Å
89	K	86.3	Confident	86.8	Confident	79 Å²	79	37.7 Å²	37.7	34%	0.343	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	-174.7	-175.6	-178.3	174.7	-169.7	0	110.9	L2 N59 V193 F195	L2-K89 HydrophobicContact CD1-CB 4.47Å; L2-K89 HydrophobicContact CD1-CD 3.75Å; L2-K89 HydrophobicContact CD1-CG 4.06Å; N59-K89 PolarHBondContact OD1-O 2.77Å; K89-V193 HydrophobicContact CD-CG1 4.32Å; K89-V193 HydrophobicContact CG-CG1 4.08Å; K89-F195 HydrophobicContact CB-CD1 3.75Å; K89-F195 HydrophobicContact CB-CE1 3.64Å; K89-F195 HydrophobicContact CB-CZ 4.45Å; K89-F195 HydrophobicContact CD-CE1 3.79Å; K89-F195 HydrophobicContact CD-CZ 3.9Å; K89-F195 HydrophobicContact CG-CD1 4.02Å; K89-F195 HydrophobicContact CG-CE1 3.63Å; K89-F195 HydrophobicContact CG-CZ 3.94Å
90	Y	86.5	Confident	86.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.2	178.1	-71.9	-91	0	0	0	111.4	L34 Y57 Y58 N59 D62 L84 H85 T88 V193 T194 T196	L34-Y90 HydrophobicContact CD1-CD2 4.04Å; L34-Y90 HydrophobicContact CD1-CG 4.2Å; Y57-Y90 HydrophobicContact CD2-CD1 4.3Å; Y57-Y90 HydrophobicContact CD2-CE1 4.31Å; Y58-Y90 WeakPolarHBondContact O-CA 3.4Å; N59-Y90 HydrophobicContact CB-CD1 3.7Å; N59-Y90 HydrophobicContact CB-CE1 3.48Å; N59-Y90 VanDerWaalsContact CB-CE1 3.48Å; N59-Y90 HydrophobicContact CB-CG 4.44Å; D62-Y90 WeakPolarHBondContact OD2-CE1 3.36Å; D62-Y90 VanDerWaalsContact OD2-CZ 3.3Å; D62-Y90 PolarHBondContact OD2-OH 3.23Å; L84-Y90 HydrophobicContact CB-CE2 4Å; L84-Y90 HydrophobicContact CD1-CE2 4.48Å; L84-Y90 HydrophobicContact CD2-CE1 3.96Å; H85-Y90 PolarHBondContact N-OH 3.25Å; T88-Y90 HydrophobicContact CG2-CD2 4.36Å; T88-Y90 HydrophobicContact CG2-CE2 3.74Å; Y90-V193 WeakPolarHBondContact O-CA 3.38Å; Y90-T194 PolarHBondContact N-O 3.39Å; Y90-T194 PolarHBondContact O-N 3.42Å; Y90-T196 HydrophobicContact CD2-CG2 3.74Å; Y90-T196 HydrophobicContact CE2-CG2 3.59Å
91	L	86.5	Confident	86	Confident	28 Å²	28	41.9 Å²	41.9	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.4	159.9	172.2	68.5	0	0	0	107.2	L2 Y57 Y58 C191 V193	L2-L91 HydrophobicContact CD2-CB 3.86Å; Y57-L91 CarbonylContact C-O 3.57Å; Y57-L91 WeakPolarHBondContact CA-O 3.26Å; Y58-L91 HydrophobicContact CD2-CD2 4.47Å; Y58-L91 PolarHBondContact N-O 2.6Å; Y58-L91 PolarHBondContact O-N 3.11Å; L91-C191 HydrophobicContact CD1-CB 3.86Å; L91-V193 HydrophobicContact CD1-CG2 3.69Å
92	I	88.3	Confident	85.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128	-177.9	-59.1	175.5	0	0	0	108.9	F22 V24 L34 I55 L56 L81 C191 E192 T194	F22-I92 HydrophobicContact CZ-CG2 4.18Å; V24-I92 HydrophobicContact CB-CD1 4.48Å; V24-I92 HydrophobicContact CG1-CD1 3.8Å; V24-I92 HydrophobicContact CG2-CB 4.23Å; V24-I92 HydrophobicContact CG2-CD1 4.48Å; V24-I92 HydrophobicContact CG2-CG2 4.06Å; L34-I92 HydrophobicContact CB-CD1 4.37Å; L34-I92 HydrophobicContact CD1-CD1 3.43Å; L34-I92 VanDerWaalsContact CD1-CD1 3.43Å; I55-I92 HydrophobicContact CG2-CG2 4.01Å; L56-I92 CarbonylContact O-C 3.55Å; L56-I92 WeakPolarHBondContact O-CA 3.41Å; L81-I92 HydrophobicContact CD1-CD1 3.71Å; L81-I92 HydrophobicContact CD1-CG2 4.3Å; I92-C191 CarbonylContact O-C 3.42Å; I92-C191 WeakPolarHBondContact O-CA 3.4Å; I92-E192 PolarHBondContact N-O 3.18Å; I92-E192 PolarHBondContact O-N 3.47Å; I92-T194 HydrophobicContact CD1-CG2 3.92Å
93	C	88.8	Confident	84	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	-176.5	-62.5	0	0	0	0	110.3	L56 M189 K190 C191	L56-C93 HydrophobicContact CB-CB 4.35Å; L56-C93 PolarHBondContact N-O 3.02Å; L56-C93 PolarHBondContact O-N 2.81Å; C93-M189 HydrophobicContact CB-CG 4.07Å; C93-M189 HydrophobicContact CB-SD 3.75Å; C93-K190 WeakPolarHBondContact CA-O 3.33Å; C93-C191 HydrophobicContact CB-CB 4.06Å; C93-C191 WeakPolarHBondContact CB-SG 3.48Å; C93-C191 WeakPolarHBondContact SG-CB 3.35Å; C93-C191 CovalentContact SG-SG 2.03Å; C93-C191 PolarHBondContact SG-SG 2.79Å
94	F	91	Very high	82.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.5	170.2	-172	-128.7	0	0	0	108.8	L19 F22 W38 W40 A53 K54 I55 I71 V96 M189 K190	L19-F94 HydrophobicContact CD1-CD1 3.79Å; L19-F94 HydrophobicContact CD1-CE1 3.78Å; L19-F94 HydrophobicContact CD2-CD1 3.83Å; L19-F94 HydrophobicContact CG-CD1 4.49Å; F22-F94 HydrophobicContact CD1-CB 4.36Å; F22-F94 HydrophobicContact CD2-CB 3.72Å; F22-F94 HydrophobicContact CD2-CD1 4.18Å; F22-F94 HydrophobicContact CD2-CG 4.16Å; F22-F94 HydrophobicContact CE1-CB 4.17Å; F22-F94 HydrophobicContact CE2-CB 3.52Å; F22-F94 HydrophobicContact CE2-CG 4.16Å; F22-F94 HydrophobicContact CG-CB 4.14Å; F22-F94 HydrophobicContact CZ-CB 3.75Å; W38-F94 HydrophobicContact CB-CD1 4.33Å; W38-F94 HydrophobicContact CB-CE1 3.98Å; W38-F94 AromaticContact CD1-CE1 3.71Å; W38-F94 AromaticContact CD1-CZ 3.87Å; W38-F94 AromaticContact CD2-CE1 3.78Å; W38-F94 HydrophobicContact CD2-CE1 3.78Å; W38-F94 HydrophobicContact CD2-CE2 4.22Å; W38-F94 AromaticContact CD2-CZ 3.6Å; W38-F94 HydrophobicContact CD2-CZ 3.6Å; W38-F94 AromaticContact CE2-CZ 3.54Å; W38-F94 HydrophobicContact CE3-CE1 4.44Å; W38-F94 HydrophobicContact CE3-CE2 4.34Å; W38-F94 HydrophobicContact CE3-CZ 4.16Å; W38-F94 HydrophobicContact CG-CD1 4.28Å; W38-F94 AromaticContact CG-CE1 3.53Å; W38-F94 HydrophobicContact CG-CE1 3.53Å; W38-F94 AromaticContact CG-CZ 3.83Å; W38-F94 HydrophobicContact CG-CZ 3.83Å; W38-F94 HydrophobicContact CZ2-CE2 4.4Å; W38-F94 HydrophobicContact CZ2-CZ 4.08Å; W38-F94 AromaticContact NE1-CZ 3.7Å; W40-F94 HydrophobicContact CH2-CE1 4.1Å; W40-F94 HydrophobicContact CH2-CZ 4.06Å; W40-F94 HydrophobicContact CZ3-CE1 4.27Å; A53-F94 HydrophobicContact CB-CE1 4.36Å; A53-F94 HydrophobicContact CB-CE2 3.6Å; A53-F94 HydrophobicContact CB-CZ 3.5Å; K54-F94 WeakPolarHBondContact O-CA 3.2Å; I55-F94 HydrophobicContact CG1-CD2 3.64Å; I55-F94 HydrophobicContact CG1-CE2 4.02Å; I71-F94 HydrophobicContact CD1-CE2 3.94Å; F94-V96 HydrophobicContact CD1-CG2 3.99Å; F94-V96 HydrophobicContact CE1-CG2 3.75Å; F94-V96 HydrophobicContact CZ-CG2 4.33Å; F94-M189 VanDerWaalsContact O-CA 3.28Å; F94-M189 WeakPolarHBondContact O-CA 3.11Å; F94-M189 WeakPolarHBondContact O-CG 3.42Å; F94-K190 PolarHBondContact N-O 3.49Å; F94-K190 PolarHBondContact O-N 2.68Å
95	R	90.2	Very high	79.8	Confident	70 Å²	70	51.4 Å²	51.4	26%	0.264	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.3	-179.1	-165.9	174.4	-164.2	-151.4	0.1	110.1	E10 A53 K54 E188 M189	E10-R95 IonicContact OE1-CZ 2.75Å; E10-R95 IonicContact OE1-NE 2.86Å; E10-R95 IonicContact OE1-NH2 3.54Å; E10-R95 PolarHBondContact OE1-NH2 2.69Å; E10-R95 IonicContact OE2-CZ 2.69Å; E10-R95 IonicContact OE2-NE 3.33Å; E10-R95 PolarHBondContact OE2-NE 3.21Å; E10-R95 IonicContact OE2-NH2 3.75Å; E10-R95 PolarHBondContact OE2-NH2 2.75Å; A53-R95 CarbonylContact C-O 3.58Å; A53-R95 WeakPolarHBondContact CA-O 3.3Å; K54-R95 PolarHBondContact N-O 3.47Å; K54-R95 PolarHBondContact O-N 2.73Å; R95-E188 CarbonylContact C-O 3.55Å; R95-E188 WeakPolarHBondContact CA-O 3.48Å; R95-M189 HydrophobicContact CB-CB 4.32Å; R95-M189 HydrophobicContact CB-CG 3.92Å; R95-M189 HydrophobicContact CB-SD 4.05Å; R95-M189 HydrophobicContact CG-CB 4.14Å; R95-M189 HydrophobicContact CG-CG 4.22Å; R95-M189 HydrophobicContact CG-SD 4.24Å
96	V	90.1	Very high	77.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	179.4	-179.3	0	0	0	0	108.2	L18 L19 W40 L50 A53 F94 A187 E188	L18-V96 HydrophobicContact CD2-CG1 4.44Å; L19-V96 HydrophobicContact CD2-CG2 4.43Å; W40-V96 HydrophobicContact CH2-CG2 4.46Å; W40-V96 HydrophobicContact CZ3-CG1 4.33Å; W40-V96 HydrophobicContact CZ3-CG2 4.01Å; L50-V96 HydrophobicContact CD1-CG1 3.67Å; A53-V96 HydrophobicContact CB-CG2 4.11Å; F94-V96 HydrophobicContact CD1-CG2 3.99Å; F94-V96 HydrophobicContact CE1-CG2 3.75Å; F94-V96 HydrophobicContact CZ-CG2 4.33Å; V96-A187 CarbonylContact O-C 3.58Å; V96-A187 VanDerWaalsContact O-CA 3.3Å; V96-A187 WeakPolarHBondContact O-CA 3.38Å; V96-E188 HydrophobicContact CB-CG 3.93Å; V96-E188 PolarHBondContact N-O 2.97Å; V96-E188 PolarHBondContact O-N 3.17Å
97	T	89.4	Confident	75	Confident	31 Å²	31	59.1 Å²	59.1	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	165.5	-42.9	0	0	0	0	108.5	Q51 Q52	Q51-T97 WeakPolarHBondContact CB-O 3.37Å; Q51-T97 PolarHBondContact N-O 2.96Å; Q52-T97 PolarHBondContact N-O 2.91Å; Q52-T97 VanDerWaalsContact N-O 3.13Å; Q52-T97 PolarHBondContact NE2-OG1 2.84Å; Q52-T97 PolarHBondContact O-N 3.31Å
98	R	88.8	Confident	72.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.8	-177.1	61.4	167.3	-178.9	72.7	-0.5	111.4	D14 Y16 L18 L49 Y185 V186 E188	D14-R98 VanDerWaalsContact CG-NH2 3.35Å; D14-R98 IonicContact OD1-CZ 3.65Å; D14-R98 IonicContact OD1-NH1 3.21Å; D14-R98 IonicContact OD1-NH2 3.46Å; D14-R98 PolarHBondContact OD1-NH2 3.33Å; D14-R98 IonicContact OD2-CZ 2.6Å; D14-R98 IonicContact OD2-NH1 3.68Å; D14-R98 PolarHBondContact OD2-NH1 2.82Å; D14-R98 IonicContact OD2-NH2 3.94Å; D14-R98 PolarHBondContact OD2-NH2 2.86Å; Y16-R98 PolarHBondContact O-NH2 3.12Å; L18-R98 HydrophobicContact CD2-CB 4.25Å; L49-R98 HydrophobicContact CB-CB 4.17Å; L49-R98 CarbonylContact O-C 3.46Å; L49-R98 WeakPolarHBondContact O-CA 3.43Å; L49-R98 WeakPolarHBondContact O-CB 3.43Å; R98-Y185 WeakPolarHBondContact O-CA 3.4Å; R98-V186 PolarHBondContact N-O 2.79Å; R98-V186 PolarHBondContact O-N 2.91Å; R98-V186 VanDerWaalsContact O-O 3.05Å; R98-E188 IonicContact NE-OE1 3.87Å
99	K	87	Confident	69.6	Low	74 Å²	74	63.9 Å²	63.9	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.1	165.9	-68.9	175.6	177.3	178	0	110.1	L49 Y101 E184 Y185	L49-K99 HydrophobicContact CD2-CB 3.96Å; L49-K99 PolarHBondContact O-N 2.81Å; K99-Y101 PolarHBondContact O-N 2.82Å; K99-E184 CarbonylContact C-O 3.54Å; K99-E184 VanDerWaalsContact CA-O 3.27Å; K99-E184 WeakPolarHBondContact CA-O 3.17Å; K99-Y185 HydrophobicContact CD-CE1 4.39Å; K99-Y185 WeakPolarHBondContact CE-OH 3.04Å; K99-Y185 HydrophobicContact CG-CD1 3.98Å; K99-Y185 HydrophobicContact CG-CE1 3.48Å; K99-Y185 VanDerWaalsContact CG-CE1 3.48Å
100	R	84.1	Confident	66.9	Low	81 Å²	81	66.1 Å²	66.1	31%	0.306	38%	0.378	S	S	.	.			trans	-59.6	131.5	173.8	-174.7	170.3	-71.9	-92.8	-3.5	108.6	D13 D14 I102 N183 E184 V186	D13-R100 PolarHBondContact O-NH1 3.25Å; D14-R100 HydrophobicContact CB-CG 3.9Å; D14-R100 WeakPolarHBondContact OD2-CA 3.08Å; R100-I102 PolarHBondContact O-N 3.06Å; R100-N183 WeakPolarHBondContact CD-O 3.23Å; R100-N183 PolarHBondContact NE-O 2.96Å; R100-E184 PolarHBondContact N-O 3.33Å; R100-V186 HydrophobicContact CB-CG2 3.74Å; R100-V186 HydrophobicContact CG-CG2 3.89Å
101	Y	76.8	Confident	64.3	Low	106 Å²	106	70.8 Å²	70.8	42%	0.416	41%	0.41	S	S	.	.			trans	-75.4	95.6	174.8	-177.1	-115.4	0	0	0	108.8	D14 Y16 L49 K99 G103	D14-Y101 PolarHBondContact OD2-N 3.17Å; Y16-Y101 HydrophobicContact CD1-CG 4.36Å; Y16-Y101 HydrophobicContact CD2-CD1 4.13Å; Y16-Y101 HydrophobicContact CD2-CE1 4.42Å; Y16-Y101 HydrophobicContact CG-CD1 4.09Å; Y16-Y101 HydrophobicContact CG-CG 4.19Å; L49-Y101 HydrophobicContact CD1-CD2 4.08Å; K99-Y101 PolarHBondContact O-N 2.82Å; Y101-G103 VanDerWaalsContact CE1-CA 3.49Å; Y101-G103 PolarHBondContact O-N 3.03Å
102	I	73.7	Confident	61.4	Low	131 Å²	131	76.4 Å²	76.4	67%	0.672	44%	0.44	S	S	*	.			trans	-74.9	88.4	165.5	-55.8	178.2	0	0	0	106.1	R100 S104	R100-I102 PolarHBondContact O-N 3.06Å; I102-S104 WeakPolarHBondContact O-CB 3.35Å; I102-S104 PolarHBondContact O-N 2.97Å; I102-S104 PolarHBondContact O-OG 3.24Å
103	G	57.7	Low	58.5	Low	47 Å²	47	86.6 Å²	86.6	49%	0.485	48%	0.48	S	S	.	.			trans	-60.4	87.8	174	0	0	0	0	0	109.6	Y101 S105	Y101-G103 VanDerWaalsContact CE1-CA 3.49Å; Y101-G103 PolarHBondContact O-N 3.03Å; G103-S105 PolarHBondContact O-N 3.15Å
104	S	45.4	Very low	55.6	Low	76 Å²	76	91.9 Å²	91.9	53%	0.531	51%	0.512	S	S	.	.			trans	-89.6	98.5	-160.2	35.8	0	0	0	0	110.9	I102 I106	I102-S104 WeakPolarHBondContact O-CB 3.35Å; I102-S104 PolarHBondContact O-N 2.97Å; I102-S104 PolarHBondContact O-OG 3.24Å; S104-I106 PolarHBondContact O-N 2.96Å
105	S	32.5	Very low	52.5	Low	107 Å²	107	101.3 Å²	101.3	75%	0.748	56%	0.556	S	S	*	*			trans	-53.2	89.5	138.9	39.2	0	0	0	0	108.8	G103 L107	G103-S105 PolarHBondContact O-N 3.15Å; S105-L107 PolarHBondContact O-N 2.86Å
106	I	37.2	Very low	49.5	Very low	150 Å²	150	100.5 Å²	100.5	77%	0.769	57%	0.569	S	S	*	*			trans	-75.5	61.2	175.8	-50.1	177.8	0	0	0	109.6	S104	S104-I106 PolarHBondContact O-N 2.96Å
107	L	28.4	Very low	46.5	Very low	146 Å²	146	109.1 Å²	109.1	76%	0.764	62%	0.615	S	S	*	*	S	Bend	trans	-123.2	103	159	-80.4	88.1	0	0	0	107	S105	S105-L107 PolarHBondContact O-N 2.86Å
108	S	25.8	Very low	43.7	Very low	113 Å²	113	110.5 Å²	110.5	79%	0.79	64%	0.636	S	S	*	*	S	Bend	trans	52.6	107	175.6	53	0	0	0	0	115.4
109	S	27.8	Very low	40.9	Very low	97 Å²	97	117.5 Å²	117.5	68%	0.678	68%	0.678	S	S	*	*			cis	-166.2	154.6	41.6	-59.2	0	0	0	0	112.7	S111	S109-S111 PolarHBondContact O-N 3.18Å
110	P	28.2	Very low	38.2	Very low	127 Å²	127	121.8 Å²	121.8	83%	0.825	70%	0.703	S	S	*	*			trans	-80.9	75.5	172.6	34.3	-35	0	0	0	111.7	L112	P110-L112 PolarHBondContact O-N 3.41Å
111	S	31.4	Very low	35.5	Very low	97 Å²	97	121.9 Å²	121.9	68%	0.678	72%	0.721	S	S	*	*			trans	-77.7	71	176	59.9	0	0	0	0	112	S109 Y113	S109-S111 PolarHBondContact O-N 3.18Å; S111-Y113 PolarHBondContact O-N 2.79Å; S111-Y113 VanDerWaalsContact O-N 3.14Å
112	L	26.5	Very low	33.2	Very low	147 Å²	147	122.5 Å²	122.5	77%	0.77	74%	0.736	S	S	*	*			trans	-76.4	93.3	-177.7	-150.1	177.8	0	0	0	110.7	P110 V114	P110-L112 PolarHBondContact O-N 3.41Å; L112-V114 HydrophobicContact CD2-CB 4.27Å; L112-V114 HydrophobicContact CD2-CG2 3.67Å; L112-V114 PolarHBondContact O-N 2.98Å
113	Y	27	Very low	31.1	Very low	214 Å²	214	124 Å²	124	84%	0.839	75%	0.745	S	S	*	*			trans	-91.3	85.8	175.2	-93.3	-84.1	0	0	0	112.1	S111	S111-Y113 PolarHBondContact O-N 2.79Å; S111-Y113 VanDerWaalsContact O-N 3.14Å
114	V	27.8	Very low	29.7	Very low	116 Å²	116	126.7 Å²	126.7	70%	0.703	75%	0.752	S	S	*	*			trans	-107.7	98.5	159.7	174.2	0	0	0	0	108.1	L112 G116	L112-V114 HydrophobicContact CD2-CB 4.27Å; L112-V114 HydrophobicContact CD2-CG2 3.67Å; L112-V114 PolarHBondContact O-N 2.98Å; V114-G116 VanDerWaalsContact C-N 3.28Å; V114-G116 PolarHBondContact O-N 2.99Å
115	Q	26.2	Very low	29.2	Very low	198 Å²	198	127.6 Å²	127.6	93%	0.925	76%	0.756	S	S	*	*			trans	-81.6	75.1	176.1	-170.2	175.5	-4.8	0	0	110.2
116	G	26.8	Very low	29	Very low	52 Å²	52	128.8 Å²	128.8	54%	0.536	76%	0.759	S	S	.	*			trans	-140.9	126.5	174.8	0	0	0	0	0	110.4	V114 G118	V114-G116 VanDerWaalsContact C-N 3.28Å; V114-G116 PolarHBondContact O-N 2.99Å; G116-G118 PolarHBondContact O-N 3.16Å; G116-G118 VanDerWaalsContact O-N 3.16Å
117	N	28.8	Very low	28.7	Very low	182 Å²	182	130.6 Å²	130.6	97%	0.973	76%	0.762	S	S	*	*	S	Bend	trans	-65.5	112.7	-171.2	-69.1	-17.4	0	0	0	112.7
118	G	30	Very low	28.7	Very low	60 Å²	60	133.7 Å²	133.7	62%	0.619	77%	0.769	S	S	*	*	S	Bend	trans	136.5	111.3	157.2	0	0	0	0	0	116.1	G116	G116-G118 PolarHBondContact O-N 3.16Å; G116-G118 VanDerWaalsContact O-N 3.16Å
119	T	29.3	Very low	28.9	Very low	146 Å²	146	133.7 Å²	133.7	90%	0.896	77%	0.769	S	S	*	*			trans	61.6	110.8	162.9	10.4	0	0	0	0	117.6	A121	T119-A121 PolarHBondContact O-N 3.04Å
120	I	29.7	Very low	28.8	Very low	165 Å²	165	134.9 Å²	134.9	85%	0.846	78%	0.777	S	S	*	*			trans	-77.7	113.1	169.6	-60.1	169.2	0	0	0	108.9
121	A	28.9	Very low	29	Very low	83 Å²	83	135.1 Å²	135.1	69%	0.686	78%	0.776	S	S	*	*			trans	-101.5	100.7	170	0	0	0	0	0	110	T119 L123	T119-A121 PolarHBondContact O-N 3.04Å; A121-L123 PolarHBondContact O-N 2.89Å
122	T	28.2	Very low	28.8	Very low	119 Å²	119	138 Å²	138	73%	0.73	78%	0.778	S	S	*	*			trans	-74.5	85.8	-179.6	-50.4	0	0	0	0	111.3	T124	T122-T124 PolarHBondContact O-N 3.27Å
123	L	29.7	Very low	29.2	Very low	161 Å²	161	139.8 Å²	139.8	84%	0.843	78%	0.782	S	S	*	*			trans	-80.9	94.1	169.6	-73.1	171	0	0	0	110	A121 P125	A121-L123 PolarHBondContact O-N 2.89Å; L123-P125 VanDerWaalsContact O-CD 3.29Å; L123-P125 WeakPolarHBondContact O-CD 3.43Å
124	T	28.7	Very low	29.3	Very low	105 Å²	105	137.4 Å²	137.4	64%	0.644	78%	0.779	S	S	*	*			trans	-77.3	115	174.8	-49.8	0	0	0	0	110.5	T122 T126	T122-T124 PolarHBondContact O-N 3.27Å; T124-T126 PolarHBondContact O-N 3.04Å
125	P	33.5	Very low	29.5	Very low	95 Å²	95	139.9 Å²	139.9	62%	0.617	79%	0.788	S	S	*	*			trans	-77.6	105.4	176.6	30.8	-33.2	0	0	0	110.8	L123 F127	L123-P125 VanDerWaalsContact O-CD 3.29Å; L123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-F127 VanDerWaalsContact C-N 3.3Å; P125-F127 HydrophobicContact CB-CD2 4.14Å; P125-F127 HydrophobicContact CB-CE2 4.08Å; P125-F127 PolarHBondContact O-N 3.06Å
126	T	28.7	Very low	29.7	Very low	132 Å²	132	139.8 Å²	139.8	81%	0.81	79%	0.785	S	S	*	*			trans	-78.1	69.9	-175.3	-23.2	0	0	0	0	113.1	T124 K128	T124-T126 PolarHBondContact O-N 3.04Å; T126-K128 PolarHBondContact O-N 2.66Å
127	F	31.8	Very low	30	Very low	188 Å²	188	142.2 Å²	142.2	83%	0.825	80%	0.8	S	S	*	*			trans	-67.4	115.9	170.1	-79.1	-83.3	0	0	0	110.8	P125 S129	P125-F127 VanDerWaalsContact C-N 3.3Å; P125-F127 HydrophobicContact CB-CD2 4.14Å; P125-F127 HydrophobicContact CB-CE2 4.08Å; P125-F127 PolarHBondContact O-N 3.06Å; F127-S129 PolarHBondContact O-N 2.58Å; F127-S129 VanDerWaalsContact O-N 3.09Å
128	K	27.2	Very low	30.1	Very low	211 Å²	211	140.7 Å²	140.7	92%	0.917	79%	0.792	S	S	*	*			trans	-74.9	93	176.5	-72.5	-179.4	176.9	176.6	0	110.8	T126	T126-K128 PolarHBondContact O-N 2.66Å
129	S	30.2	Very low	30.3	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	80%	0.8	S	S	*	*			trans	-100.7	129	157	-172.9	0	0	0	0	109.2	F127	F127-S129 PolarHBondContact O-N 2.58Å; F127-S129 VanDerWaalsContact O-N 3.09Å
130	S	25.9	Very low	30.4	Very low	122 Å²	122	143.4 Å²	143.4	85%	0.853	79%	0.789	S	S	*	*			trans	-102.3	86.9	-170.1	57.6	0	0	0	0	112.4
131	V	33.4	Very low	30.6	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	79%	0.788	S	S	*	*			trans	-124.2	134.6	163.2	-176.4	0	0	0	0	108.8
132	H	26.5	Very low	30.6	Very low	156 Å²	156	146 Å²	146	72%	0.722	79%	0.793	S	S	*	*			trans	-107.9	99.2	-159.6	-170.7	34.5	0	0	0	112.1
133	H	34	Very low	30.7	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.856	80%	0.804	S	S	*	*			trans	-133.3	123.4	163.9	-94.3	-75.9	0	0	0	111.7
134	Q	29.4	Very low	30.7	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	80%	0.801	S	S	*	*			trans	-84.2	133.6	173.2	-58.8	176.7	4.5	0	0	109.6
135	N	33	Very low	31	Very low	168 Å²	168	150.2 Å²	150.2	90%	0.898	81%	0.813	S	S	*	*			trans	-148.8	157.8	142.4	-139.6	-26.9	0	0	0	111.3
136	K	30.2	Very low	30.8	Very low	197 Å²	197	152.6 Å²	152.6	86%	0.857	82%	0.82	S	S	*	*			trans	-135.7	109.4	-151.3	-179.9	-175.5	178.6	-177.8	0	112
137	A	33.7	Very low	31	Very low	103 Å²	103	153.3 Å²	153.3	85%	0.851	82%	0.818	S	S	*	*			trans	-135.1	147.9	168.7	0	0	0	0	0	110.1
138	N	29.9	Very low	30.8	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	82%	0.819	S	S	*	*			trans	-121.1	-174.5	-171.6	-123.3	-2.4	0	0	0	110.3
139	I	33.6	Very low	31	Very low	157 Å²	157	152.6 Å²	152.6	81%	0.805	81%	0.813	S	S	*	*			trans	88.5	100.1	178.8	-51.1	158.6	0	0	0	111.2
140	V	31.9	Very low	30.9	Very low	107 Å²	107	156.9 Å²	156.9	65%	0.648	82%	0.818	S	S	*	*			cis	77.3	101.2	41.2	-172.7	0	0	0	0	113.9
141	N	33.5	Very low	31.2	Very low	154 Å²	154	158 Å²	158	82%	0.824	81%	0.813	S	S	*	*				-167.7	161.4	119	-104.5	-48.5	0	0	0	113.1
142	N	29.4	Very low	30.8	Very low	149 Å²	149	160.8 Å²	160.8	80%	0.797	82%	0.815	S	S	*	*			trans	-89.1	152.3	-174.6	-59.9	-43.6	0	0	0	112.9
143	M	30.8	Very low	31.2	Very low	194 Å²	194	158.6 Å²	158.6	96%	0.956	81%	0.812	S	S	*	*				-158.2	149.6	119.9	-110.3	170.1	-178.3	0	0	110.9
144	S	29	Very low	31	Very low	112 Å²	112	156.9 Å²	156.9	78%	0.783	81%	0.809	S	S	*	*			trans	-136.4	129.9	-179.9	166.5	0	0	0	0	107.2
145	D	34.6	Very low	31	Very low	167 Å²	167	156.7 Å²	156.7	89%	0.893	81%	0.814	S	S	*	*			trans	-144.9	154.4	168.4	-108.5	-45.4	0	0	0	111.4
146	N	30.6	Very low	30.9	Very low	145 Å²	145	153.8 Å²	153.8	78%	0.775	80%	0.804	S	S	*	*			trans	-111.4	124.3	-158.5	-149.8	-20.9	0	0	0	111
147	L	31.7	Very low	30.7	Very low	146 Å²	146	152.4 Å²	152.4	76%	0.764	80%	0.803	S	S	*	*			trans	-141.2	97.1	174.9	-98	173.9	0	0	0	111.8	Y149	L147-Y149 HydrophobicContact CD2-CD2 4.24Å; L147-Y149 HydrophobicContact CD2-CE2 4.03Å
148	Q	28.9	Very low	30.6	Very low	179 Å²	179	153.7 Å²	153.7	84%	0.836	79%	0.794	S	S	*	*			trans	-73.8	127.6	162	-68.2	-171.6	16.7	0	0	109.7
149	Y	29.9	Very low	30.4	Very low	205 Å²	205	151.2 Å²	151.2	80%	0.804	78%	0.784	S	S	*	*			trans	-120.6	112.1	164.1	-106.5	-85.3	0	0	0	111.4	L147 L151	L147-Y149 HydrophobicContact CD2-CD2 4.24Å; L147-Y149 HydrophobicContact CD2-CE2 4.03Å; Y149-L151 PolarHBondContact O-N 2.78Å
150	K	28.5	Very low	30.3	Very low	202 Å²	202	153.9 Å²	153.9	88%	0.878	79%	0.786	S	S	*	*			trans	-92.5	74.6	-175.2	-172.9	178.6	-176.1	173.7	0	110.3
151	L	31.8	Very low	30.2	Very low	146 Å²	146	157.5 Å²	157.5	76%	0.764	79%	0.793	S	S	*	*			trans	-84.4	126.8	179.6	-152.6	74.1	0	0	0	111.5	Y149 T153	Y149-L151 PolarHBondContact O-N 2.78Å; L151-T153 HydrophobicContact CD2-CG2 4.38Å; L151-T153 HydrophobicContact CG-CG2 4.45Å
152	K	26.9	Very low	29.9	Very low	192 Å²	192	157.2 Å²	157.2	84%	0.835	79%	0.791	S	S	*	*			trans	-116.8	91.7	-173.2	-176	-173.6	-179.2	-174.4	0	109.3
153	T	34.3	Very low	30	Very low	109 Å²	109	158.2 Å²	158.2	67%	0.669	80%	0.795	S	S	*	*			trans	-123.9	136.6	-178.2	41.3	0	0	0	0	111.2	L151	L151-T153 HydrophobicContact CD2-CG2 4.38Å; L151-T153 HydrophobicContact CG-CG2 4.45Å
154	N	29	Very low	29.8	Very low	149 Å²	149	153 Å²	153	80%	0.797	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-82.1	122.8	-168.8	-50.3	-49.7	0	0	0	111.2	P156	N154-P156 WeakPolarHBondContact O-CD 3.36Å
155	N	30.5	Very low	29.8	Very low	160 Å²	160	157.1 Å²	157.1	86%	0.856	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.8	118.5	164.1	-80	-13.8	0	0	0	109.3	M157	N155-M157 PolarHBondContact O-N 2.69Å
156	P	31.3	Very low	29.5	Very low	108 Å²	108	157.3 Å²	157.3	70%	0.701	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.8	172.3	28.9	-32.6	0	0	0	109.8	N154 I158	N154-P156 WeakPolarHBondContact O-CD 3.36Å; P156-I158 PolarHBondContact O-N 2.88Å
157	M	25.4	Very low	29.4	Very low	167 Å²	167	155 Å²	155	82%	0.823	78%	0.777	S	S	*	*			trans	-67.2	97.2	175.8	179.1	-179.2	169.3	0	0	110.1	N155 T159	N155-M157 PolarHBondContact O-N 2.69Å; M157-T159 VanDerWaalsContact C-N 3.3Å; M157-T159 PolarHBondContact O-N 2.92Å; M157-T159 PolarHBondContact O-OG1 3.03Å
158	I	30.5	Very low	29.2	Very low	131 Å²	131	160.5 Å²	160.5	67%	0.672	79%	0.788	S	S	*	*			trans	-66.5	91.2	176.6	-58.9	-179	0	0	0	108.9	P156 Y160	P156-I158 PolarHBondContact O-N 2.88Å; I158-Y160 HydrophobicContact CG2-CE2 4.2Å
159	T	27.1	Very low	29.2	Very low	96 Å²	96	156.3 Å²	156.3	59%	0.589	78%	0.778	S	S	*	*			trans	-86	110.2	177.6	-56.1	0	0	0	0	108.1	M157 K161	M157-T159 VanDerWaalsContact C-N 3.3Å; M157-T159 PolarHBondContact O-N 2.92Å; M157-T159 PolarHBondContact O-OG1 3.03Å; T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.83Å
160	Y	30.2	Very low	29.2	Very low	213 Å²	213	155 Å²	155	84%	0.835	78%	0.779	S	S	*	*			trans	-68.1	85.4	179.8	-74.8	-88.1	0	0	0	111.4	I158 N162	I158-Y160 HydrophobicContact CG2-CE2 4.2Å; Y160-N162 PolarHBondContact O-N 3.06Å
161	K	30	Very low	29.3	Very low	184 Å²	184	156.5 Å²	156.5	80%	0.8	78%	0.779	S	S	*	*			trans	-89.2	89.3	-176.8	-155.2	176.2	-171.3	-178.6	0	110.9	T159 I163	T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.83Å; K161-I163 PolarHBondContact O-N 3.12Å
162	N	26.9	Very low	29.3	Very low	147 Å²	147	157.2 Å²	157.2	79%	0.786	78%	0.778	S	S	*	*			trans	25.3	89.9	153.8	-162.9	7.6	0	0	0	116.1	Y160	Y160-N162 PolarHBondContact O-N 3.06Å
163	I	31.8	Very low	29.3	Very low	170 Å²	170	157.6 Å²	157.6	87%	0.872	78%	0.783	S	S	*	*			trans	-99.2	87.4	174.6	-54.7	-179.3	0	0	0	109	K161	K161-I163 PolarHBondContact O-N 3.12Å
164	S	28	Very low	29	Very low	85 Å²	85	156.4 Å²	156.4	59%	0.594	78%	0.78	S	S	*	*			trans	-70.3	146.4	166.2	54.2	0	0	0	0	111.5
165	F	27.2	Very low	29	Very low	199 Å²	199	154.2 Å²	154.2	87%	0.873	78%	0.776	S	S	*	*			trans	-17.1	129.4	167.7	-53.2	-96.2	0	0	0	117.4
166	L	28.2	Very low	29	Very low	171 Å²	171	154.2 Å²	154.2	90%	0.895	77%	0.769	S	S	*	*				175.5	171.1	126.8	-96.8	159.2	0	0	0	113.8
167	S	28.8	Very low	28.8	Very low	97 Å²	97	155.8 Å²	155.8	68%	0.678	77%	0.771	S	S	*	*			trans	73.8	65.3	162.2	-56.7	0	0	0	0	119.1	S169	S167-S169 PolarHBondContact O-N 2.67Å
168	R	28.9	Very low	29.1	Very low	261 Å²	261	153.2 Å²	153.2	99%	0.985	76%	0.759	S	S	*	*			trans	-72.2	55.3	168.4	-166.2	-168	-170.8	174.7	7.5	113.1
169	S	28.4	Very low	29	Very low	91 Å²	91	151.7 Å²	151.7	64%	0.636	76%	0.758	S	S	*	*			trans	-159.6	39.4	-173.8	56	0	0	0	0	118.4	S167	S167-S169 PolarHBondContact O-N 2.67Å
170	H	29.4	Very low	29.2	Very low	177 Å²	177	156.2 Å²	156.2	82%	0.819	77%	0.77	S	S	*	*			trans	-167.4	84.9	153	-104.5	-66.2	0	0	0	112.7
171	R	30.3	Very low	29.7	Very low	234 Å²	234	152 Å²	152	88%	0.883	76%	0.761	S	S	*	*			trans	-94	96	152.8	-96.4	-173	172.6	177.7	-1.9	108.3
172	Q	31.4	Very low	30.6	Very low	160 Å²	160	147.7 Å²	147.7	75%	0.748	75%	0.747	S	S	*	*			trans	-56.3	153.1	159.9	-72.2	179.8	-23.4	0	0	109.4	S174	Q172-S174 PolarHBondContact O-N 2.84Å
173	Q	27.1	Very low	32.2	Very low	200 Å²	200	147.1 Å²	147.1	94%	0.935	74%	0.744	S	S	*	*			trans	-73.7	62.8	173.4	-69.2	176.2	-28.3	0	0	111.4	S175	Q173-S175 PolarHBondContact O-N 2.87Å
174	S	29.5	Very low	34.3	Very low	85 Å²	85	143 Å²	143	59%	0.594	72%	0.721	S	S	*	*			trans	-64.7	110.7	147.2	57.8	0	0	0	0	105.9	Q172 F176	Q172-S174 PolarHBondContact O-N 2.84Å; S174-F176 PolarHBondContact O-N 2.86Å
175	S	27.4	Very low	36.9	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	70%	0.703	S	S	*	*			trans	-54.8	109.3	162	37.2	0	0	0	0	106.7	Q173 N177	Q173-S175 PolarHBondContact O-N 2.87Å; S175-N177 PolarHBondContact O-N 2.88Å
176	F	30.8	Very low	39.7	Very low	160 Å²	160	132.6 Å²	132.6	70%	0.702	66%	0.664	S	S	*	*			trans	-71.9	87.8	179.9	-142.5	-91.7	0	0	0	106.5	S174 I178	S174-F176 PolarHBondContact O-N 2.86Å; F176-I178 HydrophobicContact CD1-CG1 4.07Å; F176-I178 PolarHBondContact O-N 2.92Å
177	N	27.2	Very low	42.5	Very low	141 Å²	141	125.4 Å²	125.4	75%	0.754	63%	0.629	S	S	*	*			trans	-60.1	84.2	157.9	-86	-26.7	0	0	0	105.8	S175 P179	S175-N177 PolarHBondContact O-N 2.88Å; N177-P179 WeakPolarHBondContact O-CD 3.46Å
178	I	31.3	Very low	45.4	Very low	112 Å²	112	121 Å²	121	57%	0.574	60%	0.598	S	S	*	*			trans	-50.4	109.5	155.2	-59.3	171.7	0	0	0	103.3	F176 K180 L181	F176-I178 HydrophobicContact CD1-CG1 4.07Å; F176-I178 PolarHBondContact O-N 2.92Å; I178-K180 PolarHBondContact O-N 2.97Å; I178-L181 HydrophobicContact CG2-CB 4.37Å; I178-L181 HydrophobicContact CG2-CD1 4.45Å
179	P	29.2	Very low	48.3	Very low	100 Å²	100	109.5 Å²	109.5	65%	0.649	56%	0.556	S	S	*	*			trans	-59.5	122.4	178.8	25.7	-32.1	0	0	0	105.2	N177 L181	N177-P179 WeakPolarHBondContact O-CD 3.46Å; P179-L181 WeakPolarHBondContact O-CA 3Å; P179-L181 WeakPolarHBondContact O-CB 3.36Å; P179-L181 PolarHBondContact O-N 2.97Å
180	K	32.3	Very low	51.2	Low	190 Å²	190	107.6 Å²	107.6	83%	0.826	54%	0.536	S	S	*	.			trans	-38.9	103.7	-172.5	-89.9	-169.2	171.2	-171.2	0	108.9	I178 N182	I178-K180 PolarHBondContact O-N 2.97Å; K180-N182 PolarHBondContact O-N 3.32Å
181	L	40.3	Very low	54.1	Low	126 Å²	126	99.4 Å²	99.4	66%	0.66	50%	0.499	S	S	*	.			trans	-86.9	67.2	-154.9	-151	165.9	0	0	0	109.2	I178 P179	I178-L181 HydrophobicContact CG2-CB 4.37Å; I178-L181 HydrophobicContact CG2-CD1 4.45Å; P179-L181 WeakPolarHBondContact O-CA 3Å; P179-L181 WeakPolarHBondContact O-CB 3.36Å; P179-L181 PolarHBondContact O-N 2.97Å
182	N	48.6	Very low	56.9	Low	93 Å²	93	90.5 Å²	90.5	50%	0.497	47%	0.467	S	S	.	.			trans	34.9	125.8	-172.3	-60.5	1	0	0	0	115.5	K180 E184 Y185	K180-N182 PolarHBondContact O-N 3.32Å; N182-E184 HydrophobicContact CB-CB 3.69Å; N182-E184 PolarHBondContact ND2-OE2 3.06Å; N182-E184 VanDerWaalsContact ND2-OE2 3.09Å; N182-E184 PolarHBondContact O-N 3.41Å; N182-Y185 HydrophobicContact CB-CD2 4.15Å; N182-Y185 HydrophobicContact CB-CE2 4.44Å; N182-Y185 PolarHBondContact O-N 2.99Å
183	N	59.3	Low	59.5	Low	135 Å²	135	85.4 Å²	85.4	72%	0.722	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-14.6	167.8	-67.9	20.9	0	0	0	113.7	R100 Y185	R100-N183 WeakPolarHBondContact CD-O 3.23Å; R100-N183 PolarHBondContact NE-O 2.96Å; N183-Y185 VanDerWaalsContact C-N 3.31Å; N183-Y185 PolarHBondContact O-N 3.3Å
184	E	76.5	Confident	62.3	Low	84 Å²	84	76.6 Å²	76.6	39%	0.393	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.4	168.7	-168.2	-169.3	166.3	0	0	115.3	K99 R100 N182	K99-E184 CarbonylContact C-O 3.54Å; K99-E184 VanDerWaalsContact CA-O 3.27Å; K99-E184 WeakPolarHBondContact CA-O 3.17Å; R100-E184 PolarHBondContact N-O 3.33Å; N182-E184 HydrophobicContact CB-CB 3.69Å; N182-E184 PolarHBondContact ND2-OE2 3.06Å; N182-E184 VanDerWaalsContact ND2-OE2 3.09Å; N182-E184 PolarHBondContact O-N 3.41Å
185	Y	82.1	Confident	65	Low	56 Å²	56	77.1 Å²	77.1	22%	0.22	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.7	-176.3	-63.5	-88.3	0	0	0	113.5	Q51 R98 K99 N182 N183	Q51-Y185 HydrophobicContact CB-CD1 4.49Å; Q51-Y185 HydrophobicContact CB-CE1 4.25Å; Q51-Y185 HydrophobicContact CG-CD1 4.46Å; Q51-Y185 HydrophobicContact CG-CE1 3.98Å; R98-Y185 WeakPolarHBondContact O-CA 3.4Å; K99-Y185 HydrophobicContact CD-CE1 4.39Å; K99-Y185 WeakPolarHBondContact CE-OH 3.04Å; K99-Y185 HydrophobicContact CG-CD1 3.98Å; K99-Y185 HydrophobicContact CG-CE1 3.48Å; K99-Y185 VanDerWaalsContact CG-CE1 3.48Å; N182-Y185 HydrophobicContact CB-CD2 4.15Å; N182-Y185 HydrophobicContact CB-CE2 4.44Å; N182-Y185 PolarHBondContact O-N 2.99Å; N183-Y185 VanDerWaalsContact C-N 3.31Å; N183-Y185 PolarHBondContact O-N 3.3Å
186	V	86.7	Confident	67.7	Low	8 Å²	8	72.2 Å²	72.2	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.2	177.3	-170.4	0	0	0	0	109.2	A12 D13 R98 R100	A12-V186 HydrophobicContact CB-CG1 3.57Å; D13-V186 HydrophobicContact CB-CG1 4.35Å; R98-V186 PolarHBondContact N-O 2.79Å; R98-V186 PolarHBondContact O-N 2.91Å; R98-V186 VanDerWaalsContact O-O 3.05Å; R100-V186 HydrophobicContact CB-CG2 3.74Å; R100-V186 HydrophobicContact CG-CG2 3.89Å
187	A	87.2	Confident	69.7	Low	21 Å²	21	71.7 Å²	71.7	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	150.2	171.3	0	0	0	0	0	111	A12 V96	A12-A187 WeakPolarHBondContact CA-O 3.47Å; V96-A187 CarbonylContact O-C 3.58Å; V96-A187 VanDerWaalsContact O-CA 3.3Å; V96-A187 WeakPolarHBondContact O-CA 3.38Å
188	E	89.9	Confident	71.6	Confident	5 Å²	5	67 Å²	67	2%	0.023	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.8	161.6	64	-176.2	153.1	0	0	109.8	E10 A12 S17 L18 L19 R95 V96 R98	E10-E188 CarbonylContact O-C 3.5Å; E10-E188 VanDerWaalsContact O-CA 3.23Å; E10-E188 WeakPolarHBondContact O-CA 3.39Å; E10-E188 WeakPolarHBondContact O-CB 3.34Å; A12-E188 HydrophobicContact CB-CB 4.28Å; S17-E188 VanDerWaalsContact CA-OE2 3.3Å; S17-E188 WeakPolarHBondContact CA-OE2 3.15Å; S17-E188 WeakPolarHBondContact CB-OE2 3.25Å; S17-E188 PolarHBondContact OG-OE2 3.09Å; L18-E188 WeakPolarHBondContact CA-OE1 3.44Å; L18-E188 VanDerWaalsContact CB-OE1 3.27Å; L18-E188 WeakPolarHBondContact CB-OE1 3.37Å; L18-E188 PolarHBondContact N-OE1 3.37Å; L19-E188 PolarHBondContact N-OE1 3.03Å; R95-E188 CarbonylContact C-O 3.55Å; R95-E188 WeakPolarHBondContact CA-O 3.48Å; V96-E188 HydrophobicContact CB-CG 3.93Å; V96-E188 PolarHBondContact N-O 2.97Å; V96-E188 PolarHBondContact O-N 3.17Å; R98-E188 IonicContact NE-OE1 3.87Å
189	M	88.8	Confident	73.2	Confident	18 Å²	18	66.8 Å²	66.8	9%	0.089	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.6	178.5	-164.7	169.5	64.2	0	0	110	S9 E10 C93 F94 R95	S9-M189 CarbonylContact C-O 3.55Å; S9-M189 WeakPolarHBondContact CA-O 3.34Å; S9-M189 WeakPolarHBondContact CB-O 3.48Å; S9-M189 PolarHBondContact OG-O 3.13Å; E10-M189 HydrophobicContact CB-CB 3.63Å; E10-M189 PolarHBondContact N-O 3.34Å; E10-M189 PolarHBondContact O-N 3.32Å; C93-M189 HydrophobicContact CB-CG 4.07Å; C93-M189 HydrophobicContact CB-SD 3.75Å; F94-M189 VanDerWaalsContact O-CA 3.28Å; F94-M189 WeakPolarHBondContact O-CA 3.11Å; F94-M189 WeakPolarHBondContact O-CG 3.42Å; R95-M189 HydrophobicContact CB-CB 4.32Å; R95-M189 HydrophobicContact CB-CG 3.92Å; R95-M189 HydrophobicContact CB-SD 4.05Å; R95-M189 HydrophobicContact CG-CB 4.14Å; R95-M189 HydrophobicContact CG-CG 4.22Å; R95-M189 HydrophobicContact CG-SD 4.24Å
190	K	90.2	Very high	75	Confident	51 Å²	51	67.6 Å²	67.6	22%	0.222	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	163.9	-67.8	-177.6	-168.4	178.2	0	108.6	L19 S20 F22 C93 F94	L19-K190 HydrophobicContact CD2-CB 4.04Å; L19-K190 HydrophobicContact CD2-CD 3.63Å; L19-K190 HydrophobicContact CD2-CG 3.77Å; L19-K190 HydrophobicContact CG-CD 4.01Å; L19-K190 WeakPolarHBondContact O-CE 3.17Å; L19-K190 PolarHBondContact O-NZ 2.91Å; S20-K190 PolarHBondContact O-NZ 3.38Å; F22-K190 HydrophobicContact CB-CB 4.23Å; F22-K190 HydrophobicContact CB-CD 4.19Å; F22-K190 HydrophobicContact CD1-CB 3.92Å; F22-K190 WeakPolarHBondContact CE1-O 3.1Å; F22-K190 HydrophobicContact CG-CB 4.4Å; C93-K190 WeakPolarHBondContact CA-O 3.33Å; F94-K190 PolarHBondContact N-O 3.49Å; F94-K190 PolarHBondContact O-N 2.68Å
191	C	89.4	Confident	76.8	Confident	6 Å²	6	65.6 Å²	65.6	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.1	172	-52.3	0	0	0	0	111.7	L8 L91 I92 C93	L8-C191 HydrophobicContact CB-CB 4.33Å; L8-C191 WeakPolarHBondContact O-CB 3.44Å; L8-C191 PolarHBondContact O-N 3.25Å; L8-C191 PolarHBondContact O-SG 3.29Å; L91-C191 HydrophobicContact CD1-CB 3.86Å; I92-C191 CarbonylContact O-C 3.42Å; I92-C191 WeakPolarHBondContact O-CA 3.4Å; C93-C191 HydrophobicContact CB-CB 4.06Å; C93-C191 WeakPolarHBondContact CB-SG 3.48Å; C93-C191 WeakPolarHBondContact SG-CB 3.35Å; C93-C191 CovalentContact SG-SG 2.03Å; C93-C191 PolarHBondContact SG-SG 2.79Å
192	E	88.8	Confident	78.6	Confident	46 Å²	46	64.1 Å²	64.1	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.8	169	-170.7	173.8	-154.6	0	0	109.6	F22 K23 V24 I92	F22-E192 HydrophobicContact CE1-CB 4.34Å; K23-E192 VanDerWaalsContact CA-OE2 3.26Å; K23-E192 WeakPolarHBondContact CA-OE2 3.13Å; K23-E192 WeakPolarHBondContact CG-OE2 3.21Å; V24-E192 PolarHBondContact N-OE2 3.04Å; I92-E192 PolarHBondContact N-O 3.18Å; I92-E192 PolarHBondContact O-N 3.47Å
193	V	86.6	Confident	80.1	Confident	54 Å²	54	62.3 Å²	62.3	33%	0.327	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	173.5	174.3	0	0	0	0	108.2	K89 Y90 L91	K89-V193 HydrophobicContact CD-CG1 4.32Å; K89-V193 HydrophobicContact CG-CG1 4.08Å; Y90-V193 WeakPolarHBondContact O-CA 3.38Å; L91-V193 HydrophobicContact CD1-CG2 3.69Å
194	T	87.1	Confident	81.2	Confident	15 Å²	15	60.1 Å²	60.1	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	174.7	-177.4	-161.7	0	0	0	0	110.8	V24 L34 Y90 I92	V24-T194 HydrophobicContact CB-CG2 4.16Å; V24-T194 HydrophobicContact CG1-CG2 4.01Å; V24-T194 PolarHBondContact O-OG1 3.5Å; L34-T194 HydrophobicContact CD1-CG2 3.63Å; L34-T194 HydrophobicContact CD2-CG2 3.89Å; L34-T194 HydrophobicContact CG-CG2 4.33Å; Y90-T194 PolarHBondContact N-O 3.39Å; Y90-T194 PolarHBondContact O-N 3.42Å; I92-T194 HydrophobicContact CD1-CG2 3.92Å
195	F	86	Confident	81.7	Confident	95 Å²	95	60.5 Å²	60.5	42%	0.417	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.2	-177.1	-62.7	-99.5	0	0	0	110	T88 K89 R197	T88-F195 CarbonylContact O-C 3.58Å; T88-F195 WeakPolarHBondContact O-CA 3.43Å; K89-F195 HydrophobicContact CB-CD1 3.75Å; K89-F195 HydrophobicContact CB-CE1 3.64Å; K89-F195 HydrophobicContact CB-CZ 4.45Å; K89-F195 HydrophobicContact CD-CE1 3.79Å; K89-F195 HydrophobicContact CD-CZ 3.9Å; K89-F195 HydrophobicContact CG-CD1 4.02Å; K89-F195 HydrophobicContact CG-CE1 3.63Å; K89-F195 HydrophobicContact CG-CZ 3.94Å; F195-R197 HydrophobicContact CB-CB 4.26Å; F195-R197 PolarHBondContact O-N 2.69Å
196	T	83.3	Confident	82	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.32	C	S	.	.			trans	-73.2	2.5	171.4	51	0	0	0	0	113.2	N31 L34 L84 H85 D87 T88 Y90 F198	N31-T196 CarbonylContact C-O 3.55Å; N31-T196 VanDerWaalsContact CA-O 3.28Å; N31-T196 WeakPolarHBondContact CA-O 3.49Å; N31-T196 WeakPolarHBondContact CB-O 3.37Å; N31-T196 VanDerWaalsContact O-CB 3.3Å; N31-T196 WeakPolarHBondContact O-CB 3.45Å; L34-T196 HydrophobicContact CD1-CG2 3.85Å; L34-T196 HydrophobicContact CD2-CG2 3.93Å; L34-T196 HydrophobicContact CG-CG2 3.71Å; L84-T196 HydrophobicContact CB-CG2 3.83Å; L84-T196 HydrophobicContact CD1-CG2 3.83Å; H85-T196 WeakPolarHBondContact O-CB 3.28Å; H85-T196 PolarHBondContact O-OG1 3.46Å; D87-T196 PolarHBondContact N-OG1 2.95Å; D87-T196 VanDerWaalsContact N-OG1 3.16Å; T88-T196 PolarHBondContact N-OG1 2.83Å; T88-T196 PolarHBondContact O-N 2.93Å; T88-T196 PolarHBondContact O-OG1 2.88Å; Y90-T196 HydrophobicContact CD2-CG2 3.74Å; Y90-T196 HydrophobicContact CE2-CG2 3.59Å; T196-F198 PolarHBondContact O-N 3Å
197	R	73.6	Confident	82.2	Confident	148 Å²	148	65 Å²	65	56%	0.558	34%	0.341	S	S	*	.			trans	-61.4	117.7	-179.8	177.9	163.5	-164.3	-169.7	5.2	111.7	D87 F195 L199	D87-R197 VanDerWaalsContact OD1-CA 3.31Å; D87-R197 WeakPolarHBondContact OD1-CA 3.46Å; D87-R197 WeakPolarHBondContact OD1-CG 3.4Å; F195-R197 HydrophobicContact CB-CB 4.26Å; F195-R197 PolarHBondContact O-N 2.69Å; R197-L199 PolarHBondContact O-N 2.8Å; R197-L199 VanDerWaalsContact O-N 3.11Å
198	F	66	Low	82.4	Confident	43 Å²	43	68.4 Å²	68.4	19%	0.189	36%	0.356	C	S	.	.			trans	-73.3	104.7	169.7	-177.6	-119.6	0	0	0	109.6	Y28 N31 T196 H200	Y28-F198 VanDerWaalsContact O-CE2 3.28Å; Y28-F198 WeakPolarHBondContact O-CE2 3.37Å; N31-F198 HydrophobicContact CB-CB 3.92Å; T196-F198 PolarHBondContact O-N 3Å; F198-H200 AromaticContact CD1-CD2 3.99Å; F198-H200 AromaticContact CD1-CE1 3.93Å; F198-H200 AromaticContact CD1-CG 3.86Å; F198-H200 AromaticContact CD1-ND1 3.82Å; F198-H200 HydrophobicContact CE1-CB 4.37Å; F198-H200 AromaticContact CE1-CG 3.88Å; F198-H200 AromaticContact CE1-ND1 3.59Å; F198-H200 PolarHBondContact O-N 2.72Å; F198-H200 VanDerWaalsContact O-N 3.11Å
199	L	66.1	Low	82.7	Confident	108 Å²	108	72.6 Å²	72.6	57%	0.565	38%	0.377	S	S	*	.			trans	-60.7	112.2	158.5	-79.3	166.4	0	0	0	107.3	R197 W201	R197-L199 PolarHBondContact O-N 2.8Å; R197-L199 VanDerWaalsContact O-N 3.11Å; L199-W201 VanDerWaalsContact O-CD1 3.24Å; L199-W201 PolarHBondContact O-N 3Å
200	H	66.5	Low	83	Confident	117 Å²	117	73.5 Å²	73.5	54%	0.542	39%	0.391	S	S	.	.			trans	-67.1	71.8	174.8	-83.4	-88.5	0	0	0	111.1	F198 T202 A203 V204	F198-H200 AromaticContact CD1-CD2 3.99Å; F198-H200 AromaticContact CD1-CE1 3.93Å; F198-H200 AromaticContact CD1-CG 3.86Å; F198-H200 AromaticContact CD1-ND1 3.82Å; F198-H200 HydrophobicContact CE1-CB 4.37Å; F198-H200 AromaticContact CE1-CG 3.88Å; F198-H200 AromaticContact CE1-ND1 3.59Å; F198-H200 PolarHBondContact O-N 2.72Å; F198-H200 VanDerWaalsContact O-N 3.11Å; H200-T202 PolarHBondContact O-N 2.76Å; H200-A203 HydrophobicContact CB-CB 3.78Å; H200-A203 WeakPolarHBondContact O-CA 3.28Å; H200-A203 WeakPolarHBondContact O-CB 3.4Å; H200-A203 PolarHBondContact O-N 3.04Å; H200-V204 PolarHBondContact O-N 2.89Å
201	W	70.5	Confident	83.2	Confident	148 Å²	148	75.4 Å²	75.4	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-54.6	-32.5	172.2	-77.6	100.5	0	0	0	111.3	L199 V204 L205	L199-W201 VanDerWaalsContact O-CD1 3.24Å; L199-W201 PolarHBondContact O-N 3Å; W201-V204 PolarHBondContact O-N 3.47Å; W201-L205 WeakPolarHBondContact O-CB 3.44Å; W201-L205 WeakPolarHBondContact O-CD1 3.27Å; W201-L205 WeakPolarHBondContact O-CG 3.39Å; W201-L205 PolarHBondContact O-N 3.25Å
202	T	77.6	Confident	83.5	Confident	94 Å²	94	79.2 Å²	79.2	58%	0.577	42%	0.422	S	S	*	.	H	α-helix	trans	-60.8	-40.5	171.4	49.7	0	0	0	0	113.1	H200 C206	H200-T202 PolarHBondContact O-N 2.76Å; T202-C206 WeakPolarHBondContact O-CB 3.25Å; T202-C206 PolarHBondContact O-N 2.83Å
203	A	79.6	Confident	83.9	Confident	56 Å²	56	81.2 Å²	81.2	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-73.7	-40.3	176.1	0	0	0	0	0	112	H200 C206 S207	H200-A203 HydrophobicContact CB-CB 3.78Å; H200-A203 WeakPolarHBondContact O-CA 3.28Å; H200-A203 WeakPolarHBondContact O-CB 3.4Å; H200-A203 PolarHBondContact O-N 3.04Å; A203-C206 PolarHBondContact O-N 2.83Å; A203-S207 WeakPolarHBondContact O-CB 3.48Å; A203-S207 PolarHBondContact O-N 2.88Å
204	V	82.3	Confident	84.3	Confident	89 Å²	89	81.5 Å²	81.5	54%	0.539	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-46.4	175	177.5	0	0	0	0	110.8	H200 W201 S207 L208	H200-V204 PolarHBondContact O-N 2.89Å; W201-V204 PolarHBondContact O-N 3.47Å; V204-S207 PolarHBondContact O-N 3.09Å; V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 PolarHBondContact O-N 3.19Å
205	L	87.3	Confident	84.7	Confident	92 Å²	92	85.7 Å²	85.7	48%	0.482	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-41.9	175.7	-71.4	168.2	0	0	0	111.9	W201 L208 I209	W201-L205 WeakPolarHBondContact O-CB 3.44Å; W201-L205 WeakPolarHBondContact O-CD1 3.27Å; W201-L205 WeakPolarHBondContact O-CG 3.39Å; W201-L205 PolarHBondContact O-N 3.25Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-I209 WeakPolarHBondContact O-CB 3.3Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 2.82Å
206	C	88.1	Confident	85.2	Confident	87 Å²	87	86.4 Å²	86.4	59%	0.588	47%	0.47	S	S	*	.	H	α-helix	trans	-62.4	-43	176.3	-171.6	0	0	0	0	111.7	T202 A203 I209 G210	T202-C206 WeakPolarHBondContact O-CB 3.25Å; T202-C206 PolarHBondContact O-N 2.83Å; A203-C206 PolarHBondContact O-N 2.83Å; C206-I209 PolarHBondContact O-N 3.49Å; C206-G210 PolarHBondContact O-N 3.16Å
207	S	90.5	Very high	85.8	Confident	71 Å²	71	90.4 Å²	90.4	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-61.2	-48	173.9	-175.9	0	0	0	0	111.7	A203 V204 I209 G210 I211	A203-S207 WeakPolarHBondContact O-CB 3.48Å; A203-S207 PolarHBondContact O-N 2.88Å; V204-S207 PolarHBondContact O-N 3.09Å; S207-I209 PolarHBondContact O-N 3.06Å; S207-G210 PolarHBondContact O-N 3.22Å; S207-G210 VanDerWaalsContact O-N 3.17Å; S207-I211 WeakPolarHBondContact O-CG1 3.23Å; S207-I211 PolarHBondContact O-N 2.03Å
208	L	93	Very high	86.9	Confident	92 Å²	92	86.9 Å²	86.9	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-59.2	-44.6	176.5	-176.4	66.2	0	0	0	112.1	V204 L205 I211 I212	V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 PolarHBondContact O-N 3.19Å; L205-L208 PolarHBondContact O-N 2.89Å; L208-I211 PolarHBondContact O-N 3.05Å; L208-I212 HydrophobicContact CG-CD1 4.11Å; L208-I212 VanDerWaalsContact O-CG1 3.28Å; L208-I212 WeakPolarHBondContact O-CG1 3.17Å; L208-I212 PolarHBondContact O-N 3.43Å
209	I	94.9	Very high	88.3	Confident	93 Å²	93	89.8 Å²	89.8	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.6	-71.4	162.8	0	0	0	110.7	L205 C206 S207 I211 I212 I213	L205-I209 WeakPolarHBondContact O-CB 3.3Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 2.82Å; C206-I209 PolarHBondContact O-N 3.49Å; S207-I209 PolarHBondContact O-N 3.06Å; I209-I211 PolarHBondContact O-N 3.46Å; I209-I212 PolarHBondContact O-N 2.86Å; I209-I213 HydrophobicContact CG2-CD1 3.76Å; I209-I213 HydrophobicContact CG2-CG1 4.47Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 3.06Å
210	G	95.1	Very high	89.7	Confident	37 Å²	37	89.2 Å²	89.2	38%	0.381	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-43.7	174.7	0	0	0	0	0	112.9	C206 S207 I213 A214	C206-G210 PolarHBondContact O-N 3.16Å; S207-G210 PolarHBondContact O-N 3.22Å; S207-G210 VanDerWaalsContact O-N 3.17Å; G210-I213 PolarHBondContact O-N 3.22Å; G210-A214 WeakPolarHBondContact O-CB 3.44Å; G210-A214 PolarHBondContact O-N 3.04Å
211	I	95.3	Very high	91.1	Very high	92 Å²	92	88 Å²	88	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-45.1	174.8	-66.7	164.2	0	0	0	110.7	S207 L208 I209 I213 A214 L215	S207-I211 WeakPolarHBondContact O-CG1 3.23Å; S207-I211 PolarHBondContact O-N 2.03Å; L208-I211 PolarHBondContact O-N 3.05Å; I209-I211 PolarHBondContact O-N 3.46Å; I211-I213 PolarHBondContact O-N 3.26Å; I211-A214 PolarHBondContact O-N 3.02Å; I211-L215 HydrophobicContact CG2-CD1 4.07Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 3.14Å
212	I	95.7	Very high	92.2	Very high	85 Å²	85	87.7 Å²	87.7	44%	0.436	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-44.7	177.4	-69.6	163.9	0	0	0	111	L208 I209 L215 L216	L208-I212 HydrophobicContact CG-CD1 4.11Å; L208-I212 VanDerWaalsContact O-CG1 3.28Å; L208-I212 WeakPolarHBondContact O-CG1 3.17Å; L208-I212 PolarHBondContact O-N 3.43Å; I209-I212 PolarHBondContact O-N 2.86Å; I212-L215 PolarHBondContact O-N 3.41Å; I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 WeakPolarHBondContact O-CG 3.33Å; I212-L216 PolarHBondContact O-N 2.75Å
213	I	96.1	Very high	92.9	Very high	89 Å²	89	86.1 Å²	86.1	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.9	-68.8	166.4	0	0	0	110.9	I209 G210 I211 L215 L216 L217	I209-I213 HydrophobicContact CG2-CD1 3.76Å; I209-I213 HydrophobicContact CG2-CG1 4.47Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 3.06Å; G210-I213 PolarHBondContact O-N 3.22Å; I211-I213 PolarHBondContact O-N 3.26Å; I213-L215 VanDerWaalsContact C-N 3.35Å; I213-L215 PolarHBondContact O-N 3.42Å; I213-L216 PolarHBondContact O-N 2.81Å; I213-L217 HydrophobicContact CG2-CD1 3.99Å; I213-L217 HydrophobicContact CG2-CG 4.41Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 3.29Å
214	A	96	Very high	93.5	Very high	59 Å²	59	87 Å²	87	49%	0.488	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-40.4	177	0	0	0	0	0	112.4	G210 I211 L217 S218	G210-A214 WeakPolarHBondContact O-CB 3.44Å; G210-A214 PolarHBondContact O-N 3.04Å; I211-A214 PolarHBondContact O-N 3.02Å; A214-L217 PolarHBondContact O-N 3.21Å; A214-S218 WeakPolarHBondContact O-CB 3.28Å; A214-S218 PolarHBondContact O-N 3.1Å
215	L	95.9	Very high	94	Very high	104 Å²	104	87.7 Å²	87.7	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174.3	-71.7	170.3	0	0	0	111.9	I211 I212 I213 S218 I219	I211-L215 HydrophobicContact CG2-CD1 4.07Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 3.14Å; I212-L215 PolarHBondContact O-N 3.41Å; I213-L215 VanDerWaalsContact C-N 3.35Å; I213-L215 PolarHBondContact O-N 3.42Å; L215-S218 WeakPolarHBondContact O-CB 3.2Å; L215-S218 PolarHBondContact O-N 3.41Å; L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.3Å; L215-I219 PolarHBondContact O-N 2.71Å
216	L	96.1	Very high	94.2	Very high	109 Å²	109	87.4 Å²	87.4	57%	0.571	48%	0.482	S	S	*	.	H	α-helix	trans	-62.1	-43.2	176.5	-71.4	171	0	0	0	112.1	I212 I213 I219 M220	I212-L216 HydrophobicContact CG2-CD1 4.06Å; I212-L216 WeakPolarHBondContact O-CG 3.33Å; I212-L216 PolarHBondContact O-N 2.75Å; I213-L216 PolarHBondContact O-N 2.81Å; L216-I219 PolarHBondContact O-N 2.71Å; L216-M220 WeakPolarHBondContact O-CB 3.33Å; L216-M220 PolarHBondContact O-N 2.7Å
217	L	96.1	Very high	94.1	Very high	86 Å²	86	86 Å²	86	45%	0.45	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-41.2	174.8	-71.4	173	0	0	0	111.8	I213 A214 M220 I221	I213-L217 HydrophobicContact CG2-CD1 3.99Å; I213-L217 HydrophobicContact CG2-CG 4.41Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 3.29Å; A214-L217 PolarHBondContact O-N 3.21Å; L217-M220 HydrophobicContact CD2-CE 3.9Å; L217-M220 PolarHBondContact O-N 3.43Å; L217-I221 WeakPolarHBondContact O-CB 3.4Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.3Å; L217-I221 PolarHBondContact O-N 3.4Å
218	S	96.4	Very high	93.9	Very high	74 Å²	74	90.9 Å²	90.9	52%	0.517	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-46.8	175	-175.2	0	0	0	0	111.9	A214 L215 M220 I221 Y222	A214-S218 WeakPolarHBondContact O-CB 3.28Å; A214-S218 PolarHBondContact O-N 3.1Å; L215-S218 WeakPolarHBondContact O-CB 3.2Å; L215-S218 PolarHBondContact O-N 3.41Å; S218-M220 VanDerWaalsContact C-N 3.34Å; S218-M220 PolarHBondContact O-N 3.33Å; S218-I221 PolarHBondContact O-N 2.93Å; S218-Y222 VanDerWaalsContact O-CB 3.32Å; S218-Y222 WeakPolarHBondContact O-CB 3.38Å; S218-Y222 PolarHBondContact O-N 3.18Å
219	I	95.5	Very high	93.4	Very high	103 Å²	103	88.9 Å²	88.9	53%	0.528	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.4	-68.3	164.1	0	0	0	110.9	L215 L216 S223	L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.3Å; L215-I219 PolarHBondContact O-N 2.71Å; L216-I219 PolarHBondContact O-N 2.71Å; I219-S223 VanDerWaalsContact O-CB 3.29Å; I219-S223 WeakPolarHBondContact O-CB 3.19Å; I219-S223 PolarHBondContact O-N 3.5Å; I219-S223 PolarHBondContact O-OG 3.22Å
220	M	95	Very high	92.7	Very high	97 Å²	97	91.9 Å²	91.9	48%	0.478	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-48.2	176.2	-174.5	-173.5	69.6	0	0	111.6	L216 L217 S218 S223 I224	L216-M220 WeakPolarHBondContact O-CB 3.33Å; L216-M220 PolarHBondContact O-N 2.7Å; L217-M220 HydrophobicContact CD2-CE 3.9Å; L217-M220 PolarHBondContact O-N 3.43Å; S218-M220 VanDerWaalsContact C-N 3.34Å; S218-M220 PolarHBondContact O-N 3.33Å; M220-S223 WeakPolarHBondContact O-CB 3.35Å; M220-S223 PolarHBondContact O-N 3.29Å; M220-I224 HydrophobicContact CG-CD1 3.98Å; M220-I224 WeakPolarHBondContact O-CG1 3.15Å; M220-I224 PolarHBondContact O-N 3.08Å
221	I	95.1	Very high	91.8	Very high	92 Å²	92	97.2 Å²	97.2	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-46.3	178.2	-69.6	164.4	0	0	0	110.4	L217 S218 S223 I224 L225	L217-I221 WeakPolarHBondContact O-CB 3.4Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.3Å; L217-I221 PolarHBondContact O-N 3.4Å; S218-I221 PolarHBondContact O-N 2.93Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 2.9Å; I221-I224 PolarHBondContact O-N 3.2Å; I221-L225 HydrophobicContact CG2-CD1 3.88Å; I221-L225 HydrophobicContact CG2-CG 4.34Å; I221-L225 WeakPolarHBondContact O-CB 3.29Å; I221-L225 VanDerWaalsContact O-CG 3.32Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 2.91Å
222	Y	94.3	Very high	90.6	Very high	140 Å²	140	95 Å²	95	55%	0.549	49%	0.491	S	S	.	.	H	α-helix	trans	-56.4	-43.6	173.7	174.3	-95.4	0	0	0	111.8	S218 L225 K226	S218-Y222 VanDerWaalsContact O-CB 3.32Å; S218-Y222 WeakPolarHBondContact O-CB 3.38Å; S218-Y222 PolarHBondContact O-N 3.18Å; Y222-L225 PolarHBondContact O-N 2.9Å; Y222-K226 HydrophobicContact CE1-CD 3.73Å; Y222-K226 WeakPolarHBondContact O-CB 3.47Å; Y222-K226 PolarHBondContact O-N 2.96Å; Y222-K226 PolarHBondContact OH-NZ 3.16Å
223	S	92.5	Very high	89.5	Confident	62 Å²	62	97.4 Å²	97.4	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-41.9	178.3	-59.4	0	0	0	0	112.2	I219 M220 I221 K226 S227	I219-S223 VanDerWaalsContact O-CB 3.29Å; I219-S223 WeakPolarHBondContact O-CB 3.19Å; I219-S223 PolarHBondContact O-N 3.5Å; I219-S223 PolarHBondContact O-OG 3.22Å; M220-S223 WeakPolarHBondContact O-CB 3.35Å; M220-S223 PolarHBondContact O-N 3.29Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 2.9Å; S223-K226 PolarHBondContact O-N 2.95Å; S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 2.89Å
224	I	93	Very high	88	Confident	74 Å²	74	99.1 Å²	99.1	38%	0.379	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-49.2	175.2	-69.1	165.1	0	0	0	110.4	M220 I221 K226 S227 R228	M220-I224 HydrophobicContact CG-CD1 3.98Å; M220-I224 WeakPolarHBondContact O-CG1 3.15Å; M220-I224 PolarHBondContact O-N 3.08Å; I221-I224 PolarHBondContact O-N 3.2Å; I224-K226 PolarHBondContact O-N 2.91Å; I224-S227 PolarHBondContact O-N 2.91Å; I224-S227 PolarHBondContact O-OG 3.47Å; I224-R228 WeakPolarHBondContact O-CG 3.21Å; I224-R228 PolarHBondContact O-N 3.18Å
225	L	91.9	Very high	86.2	Confident	103 Å²	103	99.3 Å²	99.3	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-44.3	178.2	-70.7	172.7	0	0	0	111.6	I221 Y222 S227 R228 A229	I221-L225 HydrophobicContact CG2-CD1 3.88Å; I221-L225 HydrophobicContact CG2-CG 4.34Å; I221-L225 WeakPolarHBondContact O-CB 3.29Å; I221-L225 VanDerWaalsContact O-CG 3.32Å; I221-L225 WeakPolarHBondContact O-CG 3.3Å; I221-L225 PolarHBondContact O-N 2.91Å; Y222-L225 PolarHBondContact O-N 2.9Å; L225-S227 PolarHBondContact O-N 2.57Å; L225-R228 PolarHBondContact O-N 3.26Å; L225-A229 WeakPolarHBondContact O-CB 3.14Å; L225-A229 PolarHBondContact O-N 3.09Å
226	K	91.3	Very high	84.5	Confident	87 Å²	87	99.2 Å²	99.2	38%	0.378	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175.3	-170.8	172.3	-172.5	169.7	0	111.7	Y222 S223 I224 R228 A229 Y230	Y222-K226 HydrophobicContact CE1-CD 3.73Å; Y222-K226 WeakPolarHBondContact O-CB 3.47Å; Y222-K226 PolarHBondContact O-N 2.96Å; Y222-K226 PolarHBondContact OH-NZ 3.16Å; S223-K226 PolarHBondContact O-N 2.95Å; I224-K226 PolarHBondContact O-N 2.91Å; K226-R228 PolarHBondContact O-N 2.67Å; K226-A229 PolarHBondContact O-N 3.16Å; K226-Y230 HydrophobicContact CD-CE2 4.29Å; K226-Y230 HydrophobicContact CG-CD2 4.05Å; K226-Y230 HydrophobicContact CG-CE2 3.64Å; K226-Y230 WeakPolarHBondContact O-CD2 3.33Å; K226-Y230 PolarHBondContact O-N 3.41Å
227	S	87	Confident	82.4	Confident	57 Å²	57	103.5 Å²	103.5	40%	0.399	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-39.1	175.4	83.1	0	0	0	0	112.6	S223 I224 L225 K231	S223-S227 WeakPolarHBondContact O-CB 3.48Å; S223-S227 PolarHBondContact O-N 2.89Å; I224-S227 PolarHBondContact O-N 2.91Å; I224-S227 PolarHBondContact O-OG 3.47Å; L225-S227 PolarHBondContact O-N 2.57Å; S227-K231 WeakPolarHBondContact O-CG 3.28Å; S227-K231 PolarHBondContact O-N 2.65Å; S227-K231 VanDerWaalsContact O-N 3.13Å
228	R	85.5	Confident	80.3	Confident	174 Å²	174	106.8 Å²	106.8	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-42.1	175.2	-70.7	179.8	178.6	-162.9	0.2	111.4	I224 L225 K226 Y230 K231 A232	I224-R228 WeakPolarHBondContact O-CG 3.21Å; I224-R228 PolarHBondContact O-N 3.18Å; L225-R228 PolarHBondContact O-N 3.26Å; K226-R228 PolarHBondContact O-N 2.67Å; R228-Y230 PolarHBondContact O-N 3.33Å; R228-K231 PolarHBondContact O-N 3.22Å; R228-A232 PolarHBondContact O-N 2.95Å
229	A	82.3	Confident	78	Confident	49 Å²	49	110 Å²	110	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-38.1	176.7	0	0	0	0	0	112.9	L225 K226 K233	L225-A229 WeakPolarHBondContact O-CB 3.14Å; L225-A229 PolarHBondContact O-N 3.09Å; K226-A229 PolarHBondContact O-N 3.16Å; A229-K233 WeakPolarHBondContact O-CG 3.37Å; A229-K233 PolarHBondContact O-N 3.43Å; A229-K233 VanDerWaalsContact O-N 3.12Å
230	Y	80.9	Confident	75.7	Confident	156 Å²	156	111.8 Å²	111.8	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-43.9	171.7	-77.9	-59.2	0	0	0	112	K226 R228 K233 Q234	K226-Y230 HydrophobicContact CD-CE2 4.29Å; K226-Y230 HydrophobicContact CG-CD2 4.05Å; K226-Y230 HydrophobicContact CG-CE2 3.64Å; K226-Y230 WeakPolarHBondContact O-CD2 3.33Å; K226-Y230 PolarHBondContact O-N 3.41Å; R228-Y230 PolarHBondContact O-N 3.33Å; Y230-K233 PolarHBondContact O-N 3.1Å; Y230-Q234 WeakPolarHBondContact O-CB 3.34Å; Y230-Q234 PolarHBondContact O-N 2.83Å
231	K	75.3	Confident	73.4	Confident	149 Å²	149	114 Å²	114	65%	0.648	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-44	176.2	-73.8	-178	178.6	-175.2	0	112.1	S227 R228 Q234 S235	S227-K231 WeakPolarHBondContact O-CG 3.28Å; S227-K231 PolarHBondContact O-N 2.65Å; S227-K231 VanDerWaalsContact O-N 3.13Å; R228-K231 PolarHBondContact O-N 3.22Å; K231-Q234 WeakPolarHBondContact O-CB 3.45Å; K231-Q234 PolarHBondContact O-N 2.95Å; K231-Q234 VanDerWaalsContact O-N 3.12Å; K231-S235 PolarHBondContact O-N 3.17Å; K231-S235 PolarHBondContact O-OG 2.74Å
232	A	71.4	Confident	71.4	Confident	45 Å²	45	116.5 Å²	116.5	37%	0.372	56%	0.558	S	S	.	*	H	α-helix	trans	-58.8	-49.7	176.8	0	0	0	0	0	112.3	R228 Q234 S235 E236	R228-A232 PolarHBondContact O-N 2.95Å; A232-Q234 PolarHBondContact O-N 2.77Å; A232-S235 WeakPolarHBondContact CA-OG 3.49Å; A232-S235 PolarHBondContact O-N 2.95Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 2.89Å; A232-E236 WeakPolarHBondContact O-CG 3.49Å; A232-E236 PolarHBondContact O-N 2.95Å
233	K	70.9	Confident	69.4	Low	136 Å²	136	117 Å²	117	59%	0.591	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-26	175.7	-71	-176.8	177.4	-174.1	0	113.1	A229 Y230 R237	A229-K233 WeakPolarHBondContact O-CG 3.37Å; A229-K233 PolarHBondContact O-N 3.43Å; A229-K233 VanDerWaalsContact O-N 3.12Å; Y230-K233 PolarHBondContact O-N 3.1Å; K233-R237 WeakPolarHBondContact O-CB 3.45Å; K233-R237 WeakPolarHBondContact O-CG 3.31Å; K233-R237 PolarHBondContact O-N 2.73Å
234	Q	65.6	Low	67.3	Low	126 Å²	126	123.7 Å²	123.7	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-77.8	-36.2	174.4	-162.3	178.3	23.5	0	0	112.4	Y230 K231 A232 K238	Y230-Q234 WeakPolarHBondContact O-CB 3.34Å; Y230-Q234 PolarHBondContact O-N 2.83Å; K231-Q234 WeakPolarHBondContact O-CB 3.45Å; K231-Q234 PolarHBondContact O-N 2.95Å; K231-Q234 VanDerWaalsContact O-N 3.12Å; A232-Q234 PolarHBondContact O-N 2.77Å; Q234-K238 PolarHBondContact O-N 2.59Å
235	S	58.7	Low	64.7	Low	62 Å²	62	123.5 Å²	123.5	43%	0.434	60%	0.603	S	S	.	*	H	α-helix	trans	-67.8	-42.1	171.5	39.3	0	0	0	0	112.5	K231 A232 R237 K238 M239	K231-S235 PolarHBondContact O-N 3.17Å; K231-S235 PolarHBondContact O-OG 2.74Å; A232-S235 WeakPolarHBondContact CA-OG 3.49Å; A232-S235 PolarHBondContact O-N 2.95Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 2.89Å; S235-R237 VanDerWaalsContact C-N 3.35Å; S235-R237 PolarHBondContact O-N 3.41Å; S235-K238 WeakPolarHBondContact O-CB 3.41Å; S235-K238 PolarHBondContact O-N 2.9Å; S235-K238 VanDerWaalsContact O-N 3.08Å; S235-M239 PolarHBondContact O-N 3.31Å
236	E	58.8	Low	62.5	Low	103 Å²	103	127.4 Å²	127.4	48%	0.481	62%	0.619	S	S	.	*	H	α-helix	trans	-58.7	-46	174.7	-72.2	170.8	169.5	0	0	111.2	A232 K238 M239 F240	A232-E236 WeakPolarHBondContact O-CG 3.49Å; A232-E236 PolarHBondContact O-N 2.95Å; E236-K238 PolarHBondContact O-N 2.84Å; E236-M239 PolarHBondContact O-N 3.17Å; E236-F240 VanDerWaalsContact O-CD2 3.3Å; E236-F240 WeakPolarHBondContact O-CD2 3.33Å; E236-F240 PolarHBondContact O-N 3.15Å
237	R	52.7	Low	59.8	Low	199 Å²	199	131 Å²	131	75%	0.751	64%	0.641	S	S	*	*	H	α-helix	trans	-60.6	-28.7	175.5	-79	-179.5	174	-162.5	-2.8	113.8	K233 S235 L241	K233-R237 WeakPolarHBondContact O-CB 3.45Å; K233-R237 WeakPolarHBondContact O-CG 3.31Å; K233-R237 PolarHBondContact O-N 2.73Å; S235-R237 VanDerWaalsContact C-N 3.35Å; S235-R237 PolarHBondContact O-N 3.41Å; R237-L241 PolarHBondContact O-N 2.87Å
238	K	52.9	Low	57.6	Low	154 Å²	154	135.9 Å²	135.9	67%	0.67	66%	0.662	S	S	*	*	H	α-helix	trans	-75.8	-36.5	171.7	-72.5	-173.5	175.6	-169.2	0	112.3	Q234 S235 E236 L241	Q234-K238 PolarHBondContact O-N 2.59Å; S235-K238 WeakPolarHBondContact O-CB 3.41Å; S235-K238 PolarHBondContact O-N 2.9Å; S235-K238 VanDerWaalsContact O-N 3.08Å; E236-K238 PolarHBondContact O-N 2.84Å; K238-L241 PolarHBondContact O-N 3.09Å
239	M	47.3	Very low	55.2	Low	143 Å²	143	133.8 Å²	133.8	70%	0.704	66%	0.663	S	S	*	*	H	α-helix	trans	-69.3	-41.7	176.2	-72.1	-179.4	167.3	0	0	112.7	S235 E236 L241 N242	S235-M239 PolarHBondContact O-N 3.31Å; E236-M239 PolarHBondContact O-N 3.17Å; M239-L241 VanDerWaalsContact C-N 3.25Å; M239-L241 PolarHBondContact O-N 2.71Å; M239-N242 WeakPolarHBondContact O-CB 3.45Å; M239-N242 PolarHBondContact O-N 2.84Å
240	F	47.2	Very low	53.4	Low	139 Å²	139	139.4 Å²	139.4	61%	0.61	68%	0.684	S	S	*	*	H	α-helix	trans	-66	-25	176.3	-81.1	-68.4	0	0	0	113.7	E236 N242 Q243	E236-F240 VanDerWaalsContact O-CD2 3.3Å; E236-F240 WeakPolarHBondContact O-CD2 3.33Å; E236-F240 PolarHBondContact O-N 3.15Å; F240-N242 VanDerWaalsContact C-N 3.31Å; F240-Q243 PolarHBondContact O-N 2.79Å
241	L	47.2	Very low	51.2	Low	144 Å²	144	135.4 Å²	135.4	75%	0.754	69%	0.691	S	S	*	*	H	α-helix	trans	-69.8	-27.2	171.1	-106.2	151.7	0	0	0	112.7	R237 K238 M239 Q243	R237-L241 PolarHBondContact O-N 2.87Å; K238-L241 PolarHBondContact O-N 3.09Å; M239-L241 VanDerWaalsContact C-N 3.25Å; M239-L241 PolarHBondContact O-N 2.71Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.11Å
242	N	53.5	Low	49.7	Very low	144 Å²	144	136 Å²	136	77%	0.77	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-80	-8.2	176.1	-110.9	28.9	0	0	0	114.1	M239 F240 K244	M239-N242 WeakPolarHBondContact O-CB 3.45Å; M239-N242 PolarHBondContact O-N 2.84Å; F240-N242 VanDerWaalsContact C-N 3.31Å; N242-K244 VanDerWaalsContact C-N 3.27Å; N242-K244 PolarHBondContact O-N 3.03Å
243	Q	51.3	Low	48	Very low	152 Å²	152	142.9 Å²	142.9	71%	0.71	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-80.9	0.9	-179.8	-107.3	-177.7	-9.8	0	0	114.4	F240 L241	F240-Q243 PolarHBondContact O-N 2.79Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.11Å
244	K	48.6	Very low	46.5	Very low	202 Å²	202	145.7 Å²	145.7	88%	0.878	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-106	14.8	-177.6	-84.9	-164.5	169.2	-168.5	0	116.4	N242	N242-K244 VanDerWaalsContact C-N 3.27Å; N242-K244 PolarHBondContact O-N 3.03Å
245	G	39.1	Very low	45.4	Very low	69 Å²	69	145.8 Å²	145.8	71%	0.711	74%	0.738	S	S	*	*			trans	87.2	45	149.3	0	0	0	0	0	117.9
246	E	45.5	Very low	44.3	Very low	186 Å²	186	145.4 Å²	145.4	87%	0.869	74%	0.744	S	S	*	*			trans	-107.5	119.7	157.2	-72	-170	158.4	0	0	110.3
247	L	34	Very low	43.3	Very low	162 Å²	162	147.5 Å²	147.5	85%	0.848	76%	0.758	S	S	*	*			trans	-93.4	98.5	-177.8	178.6	114.3	0	0	0	109.5
248	L	40.4	Very low	42.8	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	76%	0.755	S	S	*	*			trans	-116.3	114.6	172.1	-105.6	167.4	0	0	0	112.2
249	L	35.7	Very low	42.4	Very low	130 Å²	130	144.4 Å²	144.4	68%	0.681	76%	0.758	S	S	*	*			trans	-93.9	101.4	-165.8	-170.9	91.1	0	0	0	111
250	I	44.3	Very low	42.2	Very low	167 Å²	167	143.7 Å²	143.7	86%	0.856	76%	0.756	S	S	*	*			trans	-130	111.8	173.1	-55.4	-179.4	0	0	0	109.5
251	G	36	Very low	42	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	76%	0.763	S	S	*	*			trans	147.2	-24.5	174.8	0	0	0	0	0	115.5	K253	G251-K253 PolarHBondContact O-N 2.72Å; G251-K253 VanDerWaalsContact O-N 3.12Å
252	H	42	Very low	41.9	Very low	161 Å²	161	143.7 Å²	143.7	75%	0.745	76%	0.764	S	S	*	*			trans	-80.7	96.6	179.5	-85.6	-89.3	0	0	0	112.4	K254	H252-K254 VanDerWaalsContact C-N 3.34Å; H252-K254 PolarHBondContact O-N 2.99Å
253	K	36	Very low	41.6	Very low	191 Å²	191	145.3 Å²	145.3	83%	0.83	77%	0.766	S	S	*	*			trans	-63.7	86.5	166.7	-176.5	-175.5	179.4	-179.2	0	110.6	G251 V255	G251-K253 PolarHBondContact O-N 2.72Å; G251-K253 VanDerWaalsContact O-N 3.12Å; K253-V255 HydrophobicContact CG-CG2 4.44Å
254	K	40.5	Very low	41.3	Very low	194 Å²	194	145 Å²	145	84%	0.843	77%	0.765	S	S	*	*			trans	-72.3	148.1	160.9	-87	-168.6	171.6	-172.1	0	109.9	H252	H252-K254 VanDerWaalsContact C-N 3.34Å; H252-K254 PolarHBondContact O-N 2.99Å
255	V	41.3	Very low	41.1	Very low	129 Å²	129	140.3 Å²	140.3	78%	0.782	75%	0.75	S	S	*	*			trans	-131.3	123.6	176.5	174.5	0	0	0	0	106.3	K253	K253-V255 HydrophobicContact CG-CG2 4.44Å
256	G	36	Very low	41.2	Very low	54 Å²	54	143.4 Å²	143.4	56%	0.557	75%	0.75	S	S	*	*			trans	73	152.4	-171.3	0	0	0	0	0	113.8
257	D	37.8	Very low	41	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	75%	0.745	S	S	*	*			cis	-161.8	158.1	-9.8	-128.7	-21.6	0	0	0	110.4
258	I	42.5	Very low	41.4	Very low	132 Å²	132	139.9 Å²	139.9	68%	0.677	74%	0.737	S	S	*	*			trans	60.2	115.5	151.7	-67.6	162.4	0	0	0	119.3
259	H	44.5	Very low	41.4	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.727	73%	0.733	S	S	*	*			trans	53	153.7	146	-77.4	-96.3	0	0	0	120.3
260	D	42.7	Very low	41.5	Very low	127 Å²	127	139.2 Å²	139.2	68%	0.679	73%	0.734	S	S	*	*			cis	-130.1	134.3	-6.5	-77.4	-63.3	0	0	0	105.8
261	D	43.6	Very low	41.2	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	73%	0.734	S	S	*	*				71.1	159.2	87.1	-84.4	-25.7	0	0	0	116.9
262	D	45.7	Very low	41.3	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	74%	0.743	S	S	*	*			trans	76	112.2	176.2	-60.5	-20.4	0	0	0	121.9
263	E	45.4	Very low	41.2	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	75%	0.749	S	S	*	*			trans	56.7	146.9	130.4	-69.7	-167.8	173.8	0	0	123.1
264	E	46.3	Very low	41.3	Very low	146 Å²	146	142.5 Å²	142.5	68%	0.682	75%	0.745	S	S	*	*			cis	-164.4	-177.3	-23.3	-151.4	-158.8	174.7	0	0	108.3
265	N	43.4	Very low	41.3	Very low	103 Å²	103	142 Å²	142	55%	0.551	75%	0.745	S	S	*	*			trans	70.8	103.7	152.7	-70.9	-50.5	0	0	0	122
266	N	42.6	Very low	41	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	74%	0.735	S	S	*	*				66.4	149.9	112.3	-69.7	-36.8	0	0	0	120.6
267	L	40.5	Very low	41.3	Very low	146 Å²	146	143 Å²	143	76%	0.764	75%	0.747	S	S	*	*			cis	-142.4	158.7	11.8	-72.4	86.3	0	0	0	113.4
268	L	41.8	Very low	41.3	Very low	128 Å²	128	143.9 Å²	143.9	67%	0.67	75%	0.746	S	S	*	*			trans	72.3	113.9	142.4	-100.8	71.4	0	0	0	124.1
269	K	40	Very low	41.4	Very low	174 Å²	174	147.7 Å²	147.7	76%	0.757	75%	0.754	S	S	*	*				53.2	100.8	128.6	-63.9	172.1	-166.7	171.9	0	119.2
270	S	38.1	Very low	41.1	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	76%	0.755	S	S	*	*				70.4	98.3	68.2	79.5	0	0	0	0	116.8
271	N	38	Very low	41.2	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	76%	0.758	S	S	*	*			trans	-177.4	97.4	132.5	-105.3	-29.4	0	0	0	114.5
272	K	39.3	Very low	41.6	Very low	213 Å²	213	146.5 Å²	146.5	93%	0.926	75%	0.752	S	S	*	*			trans	-175.5	136.9	132.1	-102.6	159	-174.6	173.6	0	110.1
273	V	39.4	Very low	41.6	Very low	144 Å²	144	147.6 Å²	147.6	87%	0.873	75%	0.752	S	S	*	*			trans	-76.7	137.5	-170.2	176	0	0	0	0	111.2
274	L	38.9	Very low	41.6	Very low	144 Å²	144	147.2 Å²	147.2	75%	0.754	75%	0.75	S	S	*	*			trans	-80.3	138	176	-167.3	75.4	0	0	0	110.2
275	H	38.8	Very low	41.7	Very low	183 Å²	183	147.5 Å²	147.5	85%	0.847	75%	0.751	S	S	*	*			trans	-127	118.2	161.6	-137.9	-66	0	0	0	108.7
276	C	36.5	Very low	41.8	Very low	84 Å²	84	151.4 Å²	151.4	57%	0.568	77%	0.765	S	S	*	*			trans	-77.5	125.7	-165.1	-62.4	0	0	0	0	113	H278	C276-H278 PolarHBondContact O-N 2.83Å
277	C	42	Very low	42.1	Very low	121 Å²	121	152.3 Å²	152.3	82%	0.818	77%	0.765	S	S	*	*			trans	-81.2	102.2	163.2	-67.5	0	0	0	0	109.8	Y279	C277-Y279 PolarHBondContact O-N 3.01Å; C277-Y279 VanDerWaalsContact O-N 3.12Å
278	H	38.2	Very low	42.2	Very low	164 Å²	164	153.3 Å²	153.3	76%	0.759	77%	0.765	S	S	*	*			trans	-71	101.6	166.3	-82.4	-105.1	0	0	0	110.1	C276	C276-H278 PolarHBondContact O-N 2.83Å
279	Y	42.8	Very low	42.5	Very low	212 Å²	212	154 Å²	154	83%	0.831	77%	0.765	S	S	*	*			trans	-102.2	95.5	160.5	-108	-82.7	0	0	0	109	C277 H281	C277-Y279 PolarHBondContact O-N 3.01Å; C277-Y279 VanDerWaalsContact O-N 3.12Å; Y279-H281 PolarHBondContact O-N 3.33Å
280	L	39.7	Very low	42.7	Very low	144 Å²	144	154 Å²	154	75%	0.754	77%	0.767	S	S	*	*			trans	-69.4	118.4	166.8	-99.7	67.5	0	0	0	108.8	P282	L280-P282 WeakPolarHBondContact O-CD 3.38Å
281	H	44.5	Very low	43.1	Very low	160 Å²	160	156 Å²	156	74%	0.741	77%	0.765	S	S	*	*			trans	-90.7	115.2	162.1	-103.5	-52.9	0	0	0	109.2	Y279 H283	Y279-H281 PolarHBondContact O-N 3.33Å; H281-H283 PolarHBondContact O-N 3.29Å
282	P	51.3	Low	43.3	Very low	95 Å²	95	158 Å²	158	62%	0.617	77%	0.766	S	S	*	*			trans	-74.6	107.6	172.3	29.2	-32.4	0	0	0	110	L280 H284	L280-P282 WeakPolarHBondContact O-CD 3.38Å; P282-H284 VanDerWaalsContact C-N 3.34Å; P282-H284 PolarHBondContact O-N 2.97Å
283	H	46	Very low	43.5	Very low	166 Å²	166	159 Å²	159	77%	0.769	77%	0.766	S	S	*	*			trans	-71.8	87.5	168	-80.3	-89.5	0	0	0	110.1	H281 H285	H281-H283 PolarHBondContact O-N 3.29Å; H283-H285 PolarHBondContact O-N 2.72Å
284	H	45.4	Very low	43.5	Very low	169 Å²	169	160 Å²	160	78%	0.782	76%	0.761	S	S	*	*			trans	-73.9	95.6	169.6	-82	-72.4	0	0	0	110.7	P282 H286	P282-H284 VanDerWaalsContact C-N 3.34Å; P282-H284 PolarHBondContact O-N 2.97Å; H284-H286 PolarHBondContact O-N 2.65Å
285	H	49.2	Very low	43.6	Very low	153 Å²	153	160.6 Å²	160.6	71%	0.708	76%	0.76	S	S	*	*			trans	-63.4	127.1	165.2	-77.9	-99.5	0	0	0	110.3	H283 H287	H283-H285 PolarHBondContact O-N 2.72Å; H285-H287 PolarHBondContact O-N 3.15Å
286	H	43.9	Very low	43.7	Very low	184 Å²	184	158.9 Å²	158.9	85%	0.852	75%	0.752	S	S	*	*			trans	-73.9	101.9	162.6	-83.6	-15.2	0	0	0	109.7	H284	H284-H286 PolarHBondContact O-N 2.65Å
287	H	48.8	Very low	43.9	Very low	155 Å²	155	161.9 Å²	161.9	72%	0.718	76%	0.757	S	S	*	*			trans	-101.7	113	158.1	-95.6	-81.9	0	0	0	109.3	H285 H289	H285-H287 PolarHBondContact O-N 3.15Å; H287-H289 PolarHBondContact O-N 2.99Å
288	H	44.1	Very low	44	Very low	167 Å²	167	163.4 Å²	163.4	77%	0.773	75%	0.752	S	S	*	*			trans	-68.7	120.5	161.2	-87.6	-95.7	0	0	0	108.6
289	H	47.1	Very low	44.1	Very low	143 Å²	143	161.7 Å²	161.7	66%	0.662	76%	0.756	S	S	*	*			trans	-127.7	109.4	163	-104.4	-94	0	0	0	109.2	H287 H291	H287-H289 PolarHBondContact O-N 2.99Å; H289-H291 AromaticContact CE1-NE2 3.96Å; H289-H291 AromaticContact ND1-CD2 3.61Å; H289-H291 AromaticContact ND1-NE2 3.11Å; H289-H291 PolarHBondContact ND1-NE2 3Å; H289-H291 VanDerWaalsContact ND1-NE2 3.11Å
290	H	45.1	Very low	44.2	Very low	172 Å²	172	158.4 Å²	158.4	80%	0.796	75%	0.748	S	S	*	*			trans	-77.3	120.4	163.6	-77.5	-96.4	0	0	0	108.4
291	H	47	Very low	44.5	Very low	144 Å²	144	157.4 Å²	157.4	67%	0.667	75%	0.752	S	S	*	*			trans	-129.8	131.5	160.9	-79.2	-81	0	0	0	110.2	H289	H289-H291 AromaticContact CE1-NE2 3.96Å; H289-H291 AromaticContact ND1-CD2 3.61Å; H289-H291 AromaticContact ND1-NE2 3.11Å; H289-H291 PolarHBondContact ND1-NE2 3Å; H289-H291 VanDerWaalsContact ND1-NE2 3.11Å
292	F	40.3	Very low	44.4	Very low	201 Å²	201	156.6 Å²	156.6	88%	0.882	75%	0.749	S	S	*	*			trans	-62.2	141	170.1	-87.3	-122.1	0	0	0	109.7
293	Y	44.4	Very low	44	Very low	233 Å²	233	159.4 Å²	159.4	91%	0.914	75%	0.753	S	S	*	*			trans	-101.4	121.6	163.5	-98.7	-89.3	0	0	0	109.7
294	Q	40.4	Very low	43.7	Very low	167 Å²	167	158.9 Å²	158.9	78%	0.78	75%	0.751	S	S	*	*			trans	-136.1	108.2	173.1	-165.2	171.3	10.5	0	0	108.7
295	H	39.8	Very low	43.5	Very low	156 Å²	156	157.4 Å²	157.4	72%	0.722	74%	0.744	S	S	*	*			trans	28.8	128.8	153.2	-69.2	-104	0	0	0	121.5
296	H	40.4	Very low	43	Very low	146 Å²	146	156.8 Å²	156.8	68%	0.676	74%	0.742	S	S	*	*				149.5	149	101.3	-101.8	-52.7	0	0	0	116.6
297	H	41.2	Very low	43.1	Very low	147 Å²	147	155 Å²	155	68%	0.681	73%	0.733	S	S	*	*			trans	69.2	110.7	153.2	-61.6	-51	0	0	0	123.4
298	H	43.5	Very low	42.8	Very low	153 Å²	153	155.8 Å²	155.8	71%	0.708	74%	0.737	S	S	*	*				35.2	143.7	119.4	-74.2	-4.4	0	0	0	122.2
299	P	42.2	Very low	42.7	Very low	129 Å²	129	155.4 Å²	155.4	84%	0.838	74%	0.74	S	S	*	*				-133.7	172.7	90.9	38.7	-29	0	0	0	115.9
300	H	43.6	Very low	42.5	Very low	143 Å²	143	153 Å²	153	66%	0.662	74%	0.737	S	S	*	*			trans	-82	157.7	179.8	-72.3	-116.5	0	0	0	113.8	H302	H300-H302 AromaticContact ND1-NE2 3.81Å
301	S	46.5	Very low	42.5	Very low	122 Å²	122	153.1 Å²	153.1	85%	0.853	74%	0.737	S	S	*	*			trans	-135.4	147.8	140.4	58	0	0	0	0	109.2
302	H	42.8	Very low	41.9	Very low	143 Å²	143	154.4 Å²	154.4	66%	0.662	74%	0.744	S	S	*	*			trans	-119.5	168.2	-173.1	-98.7	-91.1	0	0	0	111.6	H300	H300-H302 AromaticContact ND1-NE2 3.81Å
303	H	41.7	Very low	41.9	Very low	154 Å²	154	153.5 Å²	153.5	71%	0.713	74%	0.742	S	S	*	*			trans	100	126.7	143.4	-80.3	-52.8	0	0	0	121.5
304	Q	39.9	Very low	41.7	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	73%	0.727	S	S	*	*			trans	74.2	144.9	147.5	-63.1	178.8	-22.2	0	0	118.1
305	H	41.4	Very low	41.6	Very low	138 Å²	138	147.1 Å²	147.1	64%	0.639	73%	0.727	S	S	*	*			cis	-169.1	161.5	-20.5	-113.8	-26.3	0	0	0	110.1
306	H	39.8	Very low	41.5	Very low	141 Å²	141	146.9 Å²	146.9	65%	0.653	73%	0.731	S	S	*	*			trans	64.6	153.4	161.9	-55.7	-51	0	0	0	117.7
307	H	44	Very low	41.3	Very low	146 Å²	146	148.1 Å²	148.1	68%	0.676	74%	0.737	S	S	*	*			cis	-159.7	174.8	-17.6	-114.4	-42.4	0	0	0	111.5
308	H	43.6	Very low	41.2	Very low	171 Å²	171	150 Å²	150	79%	0.792	75%	0.745	S	S	*	*			trans	79.4	106.9	164.3	-64.8	-64.1	0	0	0	122.3
309	L	42.2	Very low	41	Very low	159 Å²	159	150.3 Å²	150.3	83%	0.832	75%	0.751	S	S	*	*			trans	-82.9	-174	152.2	-95.5	73.8	0	0	0	110.3
310	P	43.6	Very low	41	Very low	92 Å²	92	152.5 Å²	152.5	60%	0.597	75%	0.749	S	S	*	*			cis	-139.1	-174	-41.8	39.2	-22.2	0	0	0	112.4
311	H	43.6	Very low	40.6	Very low	175 Å²	175	153.4 Å²	153.4	81%	0.81	75%	0.754	S	S	*	*				-179.7	144.5	115.5	-108.3	-77.9	0	0	0	113.8
312	E	34.8	Very low	40.2	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.804	75%	0.751	S	S	*	*			trans	-103.6	148.8	167.2	-64.4	177.6	101.1	0	0	111.2
313	H	41.5	Very low	39.8	Very low	182 Å²	182	154 Å²	154	84%	0.843	75%	0.753	S	S	*	*			trans	-174.1	149.4	148.7	-105.7	-85.2	0	0	0	108.5
314	V	38.4	Very low	39.3	Very low	98 Å²	98	157.6 Å²	157.6	59%	0.594	76%	0.761	S	S	*	*			cis	-171.7	143.9	-39.8	116.2	0	0	0	0	107.2
315	Q	38.2	Very low	39.1	Very low	167 Å²	167	155.4 Å²	155.4	78%	0.78	76%	0.762	S	S	*	*			trans	57.3	138.2	168	-73.8	164.3	-30	0	0	117.2
316	N	37.7	Very low	38.8	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	77%	0.769	S	S	*	*			cis	-143.9	169.7	38.3	-109.8	-38.8	0	0	0	113.9
317	Q	37.8	Very low	38.6	Very low	171 Å²	171	155 Å²	155	80%	0.799	78%	0.779	S	S	*	*			trans	-105.6	147.1	-169.7	-60.3	168.2	-15.6	0	0	112.2
318	H	38.1	Very low	38.1	Very low	186 Å²	186	153.1 Å²	153.1	86%	0.861	78%	0.783	S	S	*	*			trans	-166.3	98.8	131.6	-98.9	-62.6	0	0	0	109.8
319	I	39.4	Very low	37.7	Very low	160 Å²	160	155.1 Å²	155.1	82%	0.821	79%	0.789	S	S	*	*			trans	-115.8	120.1	168.7	-63.9	176.8	0	0	0	107.1
320	H	42.1	Very low	37.2	Very low	175 Å²	175	157 Å²	157	81%	0.81	79%	0.791	S	S	*	*			trans	-81.1	123	177.1	-119	-87	0	0	0	110.6
321	H	35.7	Very low	36.8	Very low	163 Å²	163	159 Å²	159	76%	0.755	80%	0.801	S	S	*	*			trans	-64.7	146.9	166.4	-82.9	-106.1	0	0	0	110.6
322	H	38.3	Very low	36.2	Very low	171 Å²	171	156.1 Å²	156.1	79%	0.792	80%	0.801	S	S	*	*				-158.3	127.7	121.1	-104.3	-63	0	0	0	114.6
323	C	35.2	Very low	36.3	Very low	105 Å²	105	155.5 Å²	155.5	71%	0.709	80%	0.801	S	S	*	*			trans	43.4	85.7	146.9	-59.6	0	0	0	0	120.5	S325	C323-S325 PolarHBondContact O-N 3.41Å
324	R	30.8	Very low	35.8	Very low	231 Å²	231	157.4 Å²	157.4	87%	0.872	80%	0.801	S	S	*	*			trans	-68.4	115.3	152.1	177.2	-167.9	-166.8	177.3	6.5	110.5
325	S	36	Very low	35.8	Very low	108 Å²	108	162.1 Å²	162.1	76%	0.755	81%	0.814	S	S	*	*			trans	-129.8	99	174.2	-74.6	0	0	0	0	112.5	C323	C323-S325 PolarHBondContact O-N 3.41Å
326	N	33.5	Very low	35.5	Very low	148 Å²	148	161.1 Å²	161.1	79%	0.791	81%	0.809	S	S	*	*			trans	-75.1	120.3	166.4	-74.9	-7.6	0	0	0	109.8
327	S	35.7	Very low	35.4	Very low	122 Å²	122	161 Å²	161	85%	0.853	80%	0.804	S	S	*	*			trans	-151.7	135.8	144.3	68.1	0	0	0	0	112
328	S	34.1	Very low	35.1	Very low	108 Å²	108	159.3 Å²	159.3	76%	0.755	80%	0.799	S	S	*	*			trans	-90.5	132.4	170.3	49.7	0	0	0	0	109.7
329	K	36.1	Very low	34.6	Very low	213 Å²	213	154.8 Å²	154.8	93%	0.926	79%	0.788	S	S	*	*			trans	-170.5	157.7	149.1	-105.5	146.3	-167	176.5	0	113.3
330	K	31.4	Very low	34.3	Very low	199 Å²	199	153.4 Å²	153.4	87%	0.865	78%	0.782	S	S	*	*			trans	-62.7	139.9	172.5	-56.6	161.6	175	175.9	0	111
331	T	35.1	Very low	33.8	Very low	132 Å²	132	153.9 Å²	153.9	81%	0.81	78%	0.778	S	S	*	*			trans	-158.3	122.5	133	11.8	0	0	0	0	109.7
332	S	30.8	Very low	33.8	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	77%	0.774	S	S	*	*			trans	-85.5	142	156.4	49.7	0	0	0	0	108.3
333	I	37.3	Very low	33.5	Very low	159 Å²	159	150.9 Å²	150.9	82%	0.815	77%	0.766	S	S	*	*			trans	-116.3	122.9	168.2	-65.7	-178.1	0	0	0	107.7
334	R	31.1	Very low	33.5	Very low	222 Å²	222	153.7 Å²	153.7	84%	0.838	77%	0.767	S	S	*	*			trans	-117.7	122.8	-175.1	178	-172.6	-173.1	-171.7	2.6	108
335	K	38.1	Very low	33.5	Very low	197 Å²	197	149.5 Å²	149.5	86%	0.857	76%	0.76	S	S	*	*			trans	-99.7	121.3	150.6	-65.2	-177.2	178.7	-178.1	0	105
336	Q	32.1	Very low	33.5	Very low	146 Å²	146	149.2 Å²	149.2	68%	0.682	76%	0.758	S	S	*	*			cis	69.1	108.1	39.6	-149.8	-178.4	12.7	0	0	110.2
337	E	34.3	Very low	33.4	Very low	149 Å²	149	146.9 Å²	146.9	70%	0.696	75%	0.754	S	S	*	*			cis	-141.7	-167.4	-2.8	-120.2	157.7	-124.3	0	0	108.6
338	L	31.8	Very low	33.1	Very low	136 Å²	136	146.2 Å²	146.2	71%	0.712	75%	0.749	S	S	*	*			cis	-153.8	162.2	21.2	-163.8	72.9	0	0	0	111.3
339	C	28.1	Very low	33.2	Very low	91 Å²	91	146.2 Å²	146.2	62%	0.615	75%	0.746	S	S	*	*			trans	19	131.4	155.5	-70.6	0	0	0	0	125.1
340	N	33.3	Very low	33	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	74%	0.742	S	S	*	*				81.6	138.2	129.5	-66.9	2.4	0	0	0	121.1
341	Y	31.9	Very low	32.8	Very low	185 Å²	185	138.4 Å²	138.4	73%	0.725	73%	0.73	S	S	*	*			cis	-160.9	139.5	-9.7	-141.6	-139.3	0	0	0	111.7
342	N	35.2	Very low	32.5	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	72%	0.724	S	S	*	*			trans	58	162.8	156.3	-72.3	-17.2	0	0	0	121.3
343	K	31.3	Very low	32.5	Very low	143 Å²	143	136.4 Å²	136.4	62%	0.622	72%	0.721	S	S	*	*			cis	-170.6	164.3	-34.7	-171.2	167.2	176.3	178.5	0	108.6
344	F	35	Very low	32.4	Very low	165 Å²	165	136 Å²	136	72%	0.724	72%	0.719	S	S	*	*			trans	81.3	123.1	175.3	-58	-83.6	0	0	0	114.4
345	I	32.3	Very low	32.7	Very low	143 Å²	143	130.9 Å²	130.9	73%	0.733	72%	0.715	S	S	*	*			cis	73.2	122.7	37.5	-51.3	161.5	0	0	0	109.6
346	S	34.5	Very low	32.6	Very low	102 Å²	102	128 Å²	128	71%	0.713	71%	0.714	S	S	*	*			cis	-148.2	159.8	31.6	44.4	0	0	0	0	116.5
347	S	31.3	Very low	32.4	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	71%	0.711	S	S	*	*			trans	-31.5	148	150.2	51.8	0	0	0	0	115.9
348	S	30.7	Very low	32.4	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	72%	0.719	S	S	*	*				-173.5	169.6	71.3	-77.7	0	0	0	0	113.4
349	P	36.5	Very low	32.5	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	73%	0.726	S	S	*	*			trans	-102.1	-163.2	178.5	39	-31.1	0	0	0	114.3
350	L	30.1	Very low	32.6	Very low	160 Å²	160	132.4 Å²	132.4	84%	0.838	73%	0.732	S	S	*	*			trans	78.1	147.9	-174.9	-64.6	104.9	0	0	0	115.6
351	S	28.8	Very low	32.6	Very low	87 Å²	87	131.2 Å²	131.2	61%	0.608	73%	0.734	S	S	*	*			cis	-167.7	161.8	-22.1	54.5	0	0	0	0	112.3
352	S	28.4	Very low	32.7	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	74%	0.738	S	S	*	*			trans	64.9	149.9	142.5	62.7	0	0	0	0	123
353	S	30.9	Very low	32.6	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	74%	0.738	S	S	*	*			trans	71.6	147.8	160.8	75.9	0	0	0	0	117.9
354	I	33.7	Very low	32.5	Very low	150 Å²	150	124.2 Å²	124.2	77%	0.769	74%	0.74	S	S	*	*			cis	-150.7	153.3	-10.5	-117.5	162	0	0	0	109
355	P	37.7	Very low	32.3	Very low	115 Å²	115	121.1 Å²	121.1	75%	0.747	74%	0.739	S	S	*	*			trans	-103.9	146.4	-179.7	37.5	-32	0	0	0	114.9
356	T	36.4	Very low	32.2	Very low	136 Å²	136	120.2 Å²	120.2	83%	0.834	74%	0.74	S	S	*	*			trans	-157.5	160.3	166.7	50.5	0	0	0	0	111.3
357	C	28.3	Very low	32	Very low	94 Å²	94	121.3 Å²	121.3	64%	0.635	74%	0.742	S	S	*	*			cis	-176.9	143.7	-42.5	-141.9	0	0	0	0	107.4
358	Y	34.6	Very low	32.2	Very low	216 Å²	216	121 Å²	121	85%	0.847	74%	0.74	S	S	*	*			trans	65.6	160.8	178.2	-51.3	-73.9	0	0	0	115.6
359	K	32.4	Very low	32.2	Very low	201 Å²	201	122.9 Å²	122.9	87%	0.874	74%	0.742	S	S	*	*			cis	-143	153	8.1	-151.7	171.5	-173.2	179.1	0	112.1
360	S	30.6	Very low	32.3	Very low	105 Å²	105	127 Å²	127	73%	0.734	75%	0.749	S	S	*	*			trans	-76	155.7	-176.8	-43.1	0	0	0	0	114.6
361	S	34.1	Very low	32.3	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	75%	0.75	S	S	*	*				140.9	135.7	120	-71.6	0	0	0	0	114.7
362	S	33.4	Very low	32.5	Very low	116 Å²	116	126.8 Å²	126.8	81%	0.811	76%	0.759	S	S	*	*			trans	57.2	149.4	155.2	44.2	0	0	0	0	119.5
363	S	33.3	Very low	32.8	Very low	98 Å²	98	132 Å²	132	69%	0.685	77%	0.769	S	S	*	*			cis	-166.4	167.1	-15.6	50.3	0	0	0	0	109.6
364	S	30.5	Very low	33	Very low	96 Å²	96	136 Å²	136	67%	0.671	78%	0.779	S	S	*	*			trans	51.3	114.7	146.5	59.8	0	0	0	0	121
365	S	29.1	Very low	33	Very low	99 Å²	99	137.3 Å²	137.3	69%	0.692	78%	0.779	S	S	*	*				72.8	128.5	128.8	64.2	0	0	0	0	123
366	T	30.4	Very low	32.7	Very low	124 Å²	124	137.8 Å²	137.8	76%	0.761	78%	0.775	S	S	*	*			trans	82.8	146.3	134.5	44.4	0	0	0	0	123.3
367	T	31.9	Very low	32.8	Very low	125 Å²	125	141 Å²	141	77%	0.767	78%	0.778	S	S	*	*			trans	76.8	105.2	151.6	37.7	0	0	0	0	121.6
368	S	33.7	Very low	32.9	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	79%	0.79	S	S	*	*				65.4	120.1	126.9	66.2	0	0	0	0	121.7
369	D	32.6	Very low	33	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	79%	0.787	S	S	*	*				39.9	112.1	126	-49.6	-25.5	0	0	0	119.7
370	K	36.8	Very low	32.9	Very low	197 Å²	197	140.7 Å²	140.7	86%	0.857	78%	0.784	S	S	*	*				-171.2	138.2	98.5	-103.2	159.4	-174.1	168.2	0	115.7
371	L	30.3	Very low	33	Very low	163 Å²	163	142.2 Å²	142.2	85%	0.853	78%	0.783	S	S	*	*			trans	60.1	110	130.6	-161.9	72.3	0	0	0	119.3
372	G	34.6	Very low	32.9	Very low	78 Å²	78	143.9 Å²	143.9	80%	0.804	78%	0.784	S	S	*	*			trans	-168.9	65.6	170.6	0	0	0	0	0	113.6	M374	G372-M374 PolarHBondContact O-N 2.78Å
373	K	33	Very low	33	Very low	206 Å²	206	144.8 Å²	144.8	90%	0.896	78%	0.778	S	S	*	*			trans	-68.4	121.2	177.9	-70.3	-179.6	179.5	177.5	0	110.8
374	M	36.4	Very low	32.9	Very low	194 Å²	194	146 Å²	146	96%	0.956	78%	0.783	S	S	*	*			trans	-141.3	130.2	154	-144.9	170.4	-165.6	0	0	109.4	G372	G372-M374 PolarHBondContact O-N 2.78Å
375	K	32.6	Very low	33	Very low	177 Å²	177	147.1 Å²	147.1	77%	0.77	79%	0.791	S	S	*	*			trans	-117	159.9	-170.5	-126.6	-168.2	175.2	-157.4	0	110.7
376	D	31.8	Very low	33.1	Very low	126 Å²	126	151.3 Å²	151.3	67%	0.674	80%	0.8	S	S	*	*			trans	61.2	107.5	157	-49	-28.8	0	0	0	118.9
377	K	38.5	Very low	33.3	Very low	204 Å²	204	151.4 Å²	151.4	89%	0.887	80%	0.8	S	S	*	*				-156.4	116.3	129	-108.6	157.1	-169.3	174.4	0	110.8	I379	K377-I379 PolarHBondContact O-N 2.95Å
378	N	30.6	Very low	33.3	Very low	167 Å²	167	153.9 Å²	153.9	89%	0.893	80%	0.8	S	S	*	*			trans	-67	127.9	-179.4	-75.3	-47.9	0	0	0	111.7
379	I	36.4	Very low	33.4	Very low	154 Å²	154	157.5 Å²	157.5	79%	0.79	81%	0.807	S	S	*	*			trans	-113.6	105.6	160.3	-65.5	177.6	0	0	0	106.9	K377 L381	K377-I379 PolarHBondContact O-N 2.95Å; I379-L381 HydrophobicContact CG2-CD1 4.43Å; I379-L381 PolarHBondContact O-N 2.78Å
380	K	30.1	Very low	33.3	Very low	183 Å²	183	156.7 Å²	156.7	80%	0.796	80%	0.802	S	S	*	*			trans	-88.1	90.3	-173.8	-171	177.3	-178.7	178.8	0	110.2	N382	K380-N382 PolarHBondContact O-N 2.93Å
381	L	32.8	Very low	33.2	Very low	137 Å²	137	155.2 Å²	155.2	72%	0.717	80%	0.804	S	S	*	*			trans	-73.1	101.2	171.5	-96.3	125.6	0	0	0	110.2	I379 I383	I379-L381 HydrophobicContact CG2-CD1 4.43Å; I379-L381 PolarHBondContact O-N 2.78Å; L381-I383 HydrophobicContact CD2-CG1 4.45Å; L381-I383 PolarHBondContact O-N 2.78Å
382	N	31.5	Very low	33.5	Very low	139 Å²	139	155.8 Å²	155.8	74%	0.743	80%	0.802	S	S	*	*			trans	-71.7	112.5	161.2	-78	6.1	0	0	0	108.4	K380	K380-N382 PolarHBondContact O-N 2.93Å
383	I	36.9	Very low	34	Very low	135 Å²	135	159.6 Å²	159.6	69%	0.692	80%	0.801	S	S	*	*			trans	-109.5	130.4	167.9	-60.1	177.5	0	0	0	107.2	L381 S385	L381-I383 HydrophobicContact CD2-CG1 4.45Å; L381-I383 PolarHBondContact O-N 2.78Å; I383-S385 PolarHBondContact O-N 3Å
384	P	30.9	Very low	34.2	Very low	123 Å²	123	157.3 Å²	157.3	80%	0.799	80%	0.798	S	S	*	*			trans	-66.9	130.5	-179.1	-19.7	32.5	0	0	0	112.2	E386	P384-E386 PolarHBondContact O-N 2.94Å
385	S	31.3	Very low	34.9	Very low	120 Å²	120	152.5 Å²	152.5	84%	0.839	78%	0.776	S	S	*	*			trans	-93.5	69.9	179.9	60	0	0	0	0	112.1	I383	I383-S385 PolarHBondContact O-N 3Å
386	E	31.3	Very low	36.7	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	76%	0.757	S	S	*	*			trans	-131.7	76.9	168.5	-74.6	-161.9	133.1	0	0	111.3	P384	P384-E386 PolarHBondContact O-N 2.94Å
387	V	36	Very low	38.5	Very low	125 Å²	125	148.3 Å²	148.3	76%	0.758	76%	0.758	S	S	*	*			trans	-128.1	117.2	156	-179.7	0	0	0	0	106.4	E389	V387-E389 HydrophobicContact CG1-CG 4.23Å
388	K	31.2	Very low	39.9	Very low	178 Å²	178	144 Å²	144	77%	0.774	74%	0.742	S	S	*	*			trans	-92.7	108.4	173.3	-74.5	-170.1	173.4	-165.2	0	109.4
389	E	36.1	Very low	41.5	Very low	169 Å²	169	141.1 Å²	141.1	79%	0.79	72%	0.722	S	S	*	*			trans	-108.6	79.9	163.3	-73.8	179.7	139.8	0	0	108	V387 N391	V387-E389 HydrophobicContact CG1-CG 4.23Å; E389-N391 PolarHBondContact O-N 2.82Å
390	D	29.8	Very low	42.9	Very low	129 Å²	129	138.3 Å²	138.3	69%	0.69	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	68.9	179.2	-67	-49.3	0	0	0	110.6
391	N	34.8	Very low	45	Very low	165 Å²	165	133.6 Å²	133.6	88%	0.882	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.9	31.6	165.3	-104	-24.9	0	0	0	118	E389	E389-N391 PolarHBondContact O-N 2.82Å
392	E	36.9	Very low	46.9	Very low	175 Å²	175	130.7 Å²	130.7	82%	0.818	68%	0.675	S	S	*	*			trans	-114.4	125.4	172.3	-69	-153.5	139.5	0	0	114.7	N394	E392-N394 PolarHBondContact O-N 2.86Å
393	M	44.5	Very low	48.6	Very low	159 Å²	159	132.8 Å²	132.8	78%	0.783	67%	0.672	S	S	*	*			trans	-79.5	107	173.2	-171.7	-178.4	-149.1	0	0	109.3	I395	M393-I395 HydrophobicContact CG-CG1 4.39Å; M393-I395 PolarHBondContact O-N 3.02Å
394	N	37.3	Very low	50.2	Low	158 Å²	158	131 Å²	131	85%	0.845	66%	0.661	S	S	*	*			trans	-67.4	75.7	177.3	-88	-73.4	0	0	0	112.3	E392 S396	E392-N394 PolarHBondContact O-N 2.86Å; N394-S396 PolarHBondContact O-N 3.34Å
395	I	50.9	Low	52.1	Low	93 Å²	93	128.8 Å²	128.8	48%	0.477	64%	0.642	S	S	.	*			trans	-68.2	119.4	162.3	-61.5	175.4	0	0	0	106.6	M393 Q399 L400	M393-I395 HydrophobicContact CG-CG1 4.39Å; M393-I395 PolarHBondContact O-N 3.02Å; I395-Q399 HydrophobicContact CG2-CB 3.79Å; I395-L400 HydrophobicContact CG2-CB 4.41Å
396	S	71.7	Confident	53.7	Low	55 Å²	55	126.7 Å²	126.7	39%	0.385	63%	0.625	S	S	.	*			trans	-67.6	152.2	178.6	81.7	0	0	0	0	110.3	N394 Q398 Q399 L400	N394-S396 PolarHBondContact O-N 3.34Å; S396-Q398 PolarHBondContact O-N 2.82Å; S396-Q398 VanDerWaalsContact O-N 3.15Å; S396-Q399 WeakPolarHBondContact O-CB 3.33Å; S396-Q399 PolarHBondContact O-N 2.92Å; S396-Q399 WeakPolarHBondContact OG-CG 3.49Å; S396-Q399 PolarHBondContact OG-N 3.37Å; S396-Q399 VanDerWaalsContact OG-N 3.15Å; S396-L400 PolarHBondContact O-N 3.42Å; S396-L400 VanDerWaalsContact O-N 3.12Å
397	K	70	Confident	54.6	Low	160 Å²	160	122.8 Å²	122.8	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-53.9	-38.1	176.1	-169.7	-168.6	169.7	-151.5	0	111.3	L400 E401	K397-L400 PolarHBondContact O-N 2.99Å; K397-E401 WeakPolarHBondContact CE-OE2 3.34Å; K397-E401 IonicContact NZ-OE2 3.08Å; K397-E401 PolarHBondContact NZ-OE2 2.71Å; K397-E401 WeakPolarHBondContact O-CB 3.35Å; K397-E401 PolarHBondContact O-N 3.11Å
398	Q	67.7	Low	55.7	Low	114 Å²	114	121.7 Å²	121.7	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-59.9	-45.7	174.9	-169.5	65.3	54.1	0	0	112.1	S396 L400 E401 D402	S396-Q398 PolarHBondContact O-N 2.82Å; S396-Q398 VanDerWaalsContact O-N 3.15Å; Q398-L400 VanDerWaalsContact C-N 3.29Å; Q398-L400 PolarHBondContact O-N 2.89Å; Q398-E401 PolarHBondContact O-N 3.48Å; Q398-D402 PolarHBondContact NE2-OD1 2.9Å; Q398-D402 WeakPolarHBondContact O-CB 3.42Å; Q398-D402 PolarHBondContact O-N 3.38Å
399	Q	63.2	Low	56.6	Low	105 Å²	105	118 Å²	118	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-34.1	177.9	-74.9	172.9	-43.8	0	0	112.8	I395 S396 W403	I395-Q399 HydrophobicContact CG2-CB 3.79Å; S396-Q399 WeakPolarHBondContact O-CB 3.33Å; S396-Q399 PolarHBondContact O-N 2.92Å; S396-Q399 WeakPolarHBondContact OG-CG 3.49Å; S396-Q399 PolarHBondContact OG-N 3.37Å; S396-Q399 VanDerWaalsContact OG-N 3.15Å; Q399-W403 WeakPolarHBondContact O-CB 3.4Å; Q399-W403 PolarHBondContact O-N 3.22Å; Q399-W403 VanDerWaalsContact O-N 3.11Å
400	L	66.9	Low	57	Low	96 Å²	96	114.2 Å²	114.2	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-44.3	174.6	-165.6	75.5	0	0	0	111.3	I395 S396 K397 Q398 W403 E404	I395-L400 HydrophobicContact CG2-CB 4.41Å; S396-L400 PolarHBondContact O-N 3.42Å; S396-L400 VanDerWaalsContact O-N 3.12Å; K397-L400 PolarHBondContact O-N 2.99Å; Q398-L400 VanDerWaalsContact C-N 3.29Å; Q398-L400 PolarHBondContact O-N 2.89Å; L400-W403 WeakPolarHBondContact O-CB 3.47Å; L400-W403 PolarHBondContact O-N 2.87Å; L400-E404 PolarHBondContact O-N 3.42Å
401	E	73.9	Confident	57.5	Low	83 Å²	83	115.4 Å²	115.4	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-67.6	-38.7	180	-159.5	156.5	172.3	0	0	111.4	K397 Q398 W403 E404 N405	K397-E401 WeakPolarHBondContact CE-OE2 3.34Å; K397-E401 IonicContact NZ-OE2 3.08Å; K397-E401 PolarHBondContact NZ-OE2 2.71Å; K397-E401 WeakPolarHBondContact O-CB 3.35Å; K397-E401 PolarHBondContact O-N 3.11Å; Q398-E401 PolarHBondContact O-N 3.48Å; E401-W403 VanDerWaalsContact C-N 3.34Å; E401-W403 PolarHBondContact O-N 3.01Å; E401-E404 PolarHBondContact O-N 2.94Å; E401-N405 WeakPolarHBondContact O-CB 3.34Å; E401-N405 PolarHBondContact O-N 3.17Å; E401-N405 PolarHBondContact O-ND2 3.35Å
402	D	73	Confident	57.8	Low	77 Å²	77	111.7 Å²	111.7	41%	0.412	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-36.5	170.8	-64.9	-14.7	0	0	0	111.8	Q398 T406	Q398-D402 PolarHBondContact NE2-OD1 2.9Å; Q398-D402 WeakPolarHBondContact O-CB 3.42Å; Q398-D402 PolarHBondContact O-N 3.38Å; D402-T406 WeakPolarHBondContact O-CB 3.35Å; D402-T406 PolarHBondContact O-N 3.43Å; D402-T406 PolarHBondContact O-OG1 3.41Å
403	W	65.8	Low	57.8	Low	182 Å²	182	109.9 Å²	109.9	69%	0.689	55%	0.548	S	S	*	.	H	α-helix	trans	-68.4	-46.3	174.5	-115.6	45	0	0	0	112.1	Q399 L400 E401 N405 T406 L407	Q399-W403 WeakPolarHBondContact O-CB 3.4Å; Q399-W403 PolarHBondContact O-N 3.22Å; Q399-W403 VanDerWaalsContact O-N 3.11Å; L400-W403 WeakPolarHBondContact O-CB 3.47Å; L400-W403 PolarHBondContact O-N 2.87Å; E401-W403 VanDerWaalsContact C-N 3.34Å; E401-W403 PolarHBondContact O-N 3.01Å; W403-N405 VanDerWaalsContact C-N 3.33Å; W403-N405 PolarHBondContact O-N 3.49Å; W403-T406 PolarHBondContact O-N 3.22Å; W403-L407 WeakPolarHBondContact O-CG 3.48Å; W403-L407 PolarHBondContact O-N 3.34Å
404	E	70.5	Confident	57.2	Low	98 Å²	98	107.6 Å²	107.6	46%	0.458	54%	0.539	S	S	.	.	H	α-helix	trans	-60.5	-41.6	175.3	-78.7	-164.2	-164.2	0	0	112.3	L400 E401 L407 K408	L400-E404 PolarHBondContact O-N 3.42Å; E401-E404 PolarHBondContact O-N 2.94Å; E404-L407 PolarHBondContact O-N 2.93Å; E404-K408 WeakPolarHBondContact O-CG 3.32Å; E404-K408 PolarHBondContact O-N 2.91Å; E404-K408 IonicContact OE2-NZ 3.46Å; E404-K408 PolarHBondContact OE2-NZ 2.87Å
405	N	70.7	Confident	56.8	Low	76 Å²	76	104.8 Å²	104.8	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-37.6	176.8	-70.1	-32.6	0	0	0	111.5	E401 W403 K408 N409	E401-N405 WeakPolarHBondContact O-CB 3.34Å; E401-N405 PolarHBondContact O-N 3.17Å; E401-N405 PolarHBondContact O-ND2 3.35Å; W403-N405 VanDerWaalsContact C-N 3.33Å; W403-N405 PolarHBondContact O-N 3.49Å; N405-K408 PolarHBondContact O-N 3.5Å; N405-N409 WeakPolarHBondContact O-CB 3.47Å; N405-N409 PolarHBondContact O-N 3.17Å; N405-N409 PolarHBondContact O-ND2 3.4Å; N405-N409 PolarHBondContact O-OD1 3.34Å
406	T	65.9	Low	55.6	Low	76 Å²	76	106.7 Å²	106.7	47%	0.466	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-42.3	173	-57.7	0	0	0	0	111.6	D402 W403 I410	D402-T406 WeakPolarHBondContact O-CB 3.35Å; D402-T406 PolarHBondContact O-N 3.43Å; D402-T406 PolarHBondContact O-OG1 3.41Å; W403-T406 PolarHBondContact O-N 3.22Å; T406-I410 HydrophobicContact CG2-CD1 4.03Å; T406-I410 VanDerWaalsContact O-CG1 3.29Å; T406-I410 WeakPolarHBondContact O-CG1 3.29Å; T406-I410 PolarHBondContact O-N 2.9Å; T406-I410 VanDerWaalsContact O-N 3.11Å
407	L	50.7	Low	53.4	Low	106 Å²	106	110.8 Å²	110.8	56%	0.555	55%	0.554	S	S	*	*	H	α-helix	trans	-66.1	-45	177	-74.6	167.8	0	0	0	112.2	W403 E404 N409 I410 E411	W403-L407 WeakPolarHBondContact O-CG 3.48Å; W403-L407 PolarHBondContact O-N 3.34Å; E404-L407 PolarHBondContact O-N 2.93Å; L407-N409 VanDerWaalsContact C-N 3.32Å; L407-N409 PolarHBondContact O-N 2.91Å; L407-I410 PolarHBondContact O-N 3.44Å; L407-E411 WeakPolarHBondContact O-CB 3.29Å; L407-E411 PolarHBondContact O-N 3.11Å
408	K	58.8	Low	51.4	Low	102 Å²	102	109.7 Å²	109.7	44%	0.443	55%	0.554	S	S	.	*	H	α-helix	trans	-58.5	-42.7	176	-74.7	164.4	-170.7	148.9	0	111.9	E404 N405 E411 T412	E404-K408 WeakPolarHBondContact O-CG 3.32Å; E404-K408 PolarHBondContact O-N 2.91Å; E404-K408 IonicContact OE2-NZ 3.46Å; E404-K408 PolarHBondContact OE2-NZ 2.87Å; N405-K408 PolarHBondContact O-N 3.5Å; K408-E411 PolarHBondContact O-N 3.44Å; K408-T412 PolarHBondContact O-N 3.05Å; K408-T412 PolarHBondContact O-OG1 2.71Å
409	N	50.4	Low	49.5	Very low	99 Å²	99	111.3 Å²	111.3	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-39.3	177	-67.1	-8.4	0	0	0	112	N405 L407 E411 T412 D413	N405-N409 WeakPolarHBondContact O-CB 3.47Å; N405-N409 PolarHBondContact O-N 3.17Å; N405-N409 PolarHBondContact O-ND2 3.4Å; N405-N409 PolarHBondContact O-OD1 3.34Å; L407-N409 VanDerWaalsContact C-N 3.32Å; L407-N409 PolarHBondContact O-N 2.91Å; N409-E411 VanDerWaalsContact C-N 3.32Å; N409-T412 WeakPolarHBondContact CA-OG1 3.38Å; N409-T412 PolarHBondContact O-N 2.87Å; N409-T412 PolarHBondContact O-OG1 2.97Å; N409-D413 VanDerWaalsContact O-CB 3.3Å; N409-D413 WeakPolarHBondContact O-CB 3.26Å; N409-D413 VanDerWaalsContact O-CG 3.29Å; N409-D413 PolarHBondContact O-N 2.87Å
410	I	43.1	Very low	47.8	Very low	91 Å²	91	113.9 Å²	113.9	47%	0.467	57%	0.571	S	S	.	*	H	α-helix	trans	-66.4	-34.8	174.6	-68.9	166.8	0	0	0	111.2	T406 L407 N414	T406-I410 HydrophobicContact CG2-CD1 4.03Å; T406-I410 VanDerWaalsContact O-CG1 3.29Å; T406-I410 WeakPolarHBondContact O-CG1 3.29Å; T406-I410 PolarHBondContact O-N 2.9Å; T406-I410 VanDerWaalsContact O-N 3.11Å; L407-I410 PolarHBondContact O-N 3.44Å; I410-N414 WeakPolarHBondContact O-CB 3.45Å; I410-N414 PolarHBondContact O-N 3.28Å; I410-N414 PolarHBondContact O-ND2 3.07Å
411	E	40.9	Very low	46	Very low	154 Å²	154	114.8 Å²	114.8	72%	0.72	58%	0.576	S	S	*	*	H	α-helix	trans	-72.1	-34.7	177.1	-165.9	166.3	-139.1	0	0	112.2	L407 K408 N409	L407-E411 WeakPolarHBondContact O-CB 3.29Å; L407-E411 PolarHBondContact O-N 3.11Å; K408-E411 PolarHBondContact O-N 3.44Å; N409-E411 VanDerWaalsContact C-N 3.32Å
412	T	41	Very low	43.9	Very low	86 Å²	86	118.2 Å²	118.2	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-74.9	-42.7	171.4	50.2	0	0	0	0	113.2	K408 N409 N414 T415	K408-T412 PolarHBondContact O-N 3.05Å; K408-T412 PolarHBondContact O-OG1 2.71Å; N409-T412 WeakPolarHBondContact CA-OG1 3.38Å; N409-T412 PolarHBondContact O-N 2.87Å; N409-T412 PolarHBondContact O-OG1 2.97Å; T412-N414 VanDerWaalsContact C-N 3.25Å; T412-N414 PolarHBondContact O-N 3.23Å; T412-T415 WeakPolarHBondContact O-CB 3.47Å; T412-T415 PolarHBondContact O-N 3.39Å; T412-T415 PolarHBondContact O-OG1 3.06Å
413	D	38.2	Very low	41.7	Very low	138 Å²	138	120.2 Å²	120.2	74%	0.738	61%	0.607	S	S	*	*	H	α-helix	trans	-69.5	-24.6	179.8	-73.6	-6.5	0	0	0	112.2	N409 T415	N409-D413 VanDerWaalsContact O-CB 3.3Å; N409-D413 WeakPolarHBondContact O-CB 3.26Å; N409-D413 VanDerWaalsContact O-CG 3.29Å; N409-D413 PolarHBondContact O-N 2.87Å; D413-T415 VanDerWaalsContact C-N 3.33Å
414	N	31.6	Very low	39.9	Very low	111 Å²	111	118 Å²	118	59%	0.594	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	33.2	168.1	-64.5	-82.8	0	0	0	112.4	I410 T412 I416	I410-N414 WeakPolarHBondContact O-CB 3.45Å; I410-N414 PolarHBondContact O-N 3.28Å; I410-N414 PolarHBondContact O-ND2 3.07Å; T412-N414 VanDerWaalsContact C-N 3.25Å; T412-N414 PolarHBondContact O-N 3.23Å; N414-I416 PolarHBondContact O-N 2.92Å
415	T	27.6	Very low	37.9	Very low	98 Å²	98	118.9 Å²	118.9	60%	0.601	62%	0.616	S	S	*	*			trans	-64	85.9	156.6	-55.6	0	0	0	0	107.7	T412 D413 I417	T412-T415 WeakPolarHBondContact O-CB 3.47Å; T412-T415 PolarHBondContact O-N 3.39Å; T412-T415 PolarHBondContact O-OG1 3.06Å; D413-T415 VanDerWaalsContact C-N 3.33Å; T415-I417 PolarHBondContact O-N 3.5Å
416	I	26.6	Very low	35.9	Very low	134 Å²	134	119.2 Å²	119.2	69%	0.687	62%	0.624	S	S	*	*			trans	-57.9	109.4	166.7	-57.7	177	0	0	0	105.3	N414 I418	N414-I416 PolarHBondContact O-N 2.92Å; I416-I418 HydrophobicContact CB-CG1 4.36Å; I416-I418 HydrophobicContact CG2-CG1 3.78Å; I416-I418 PolarHBondContact O-N 3.29Å
417	I	25.9	Very low	34.1	Very low	141 Å²	141	120.8 Å²	120.8	72%	0.723	63%	0.633	S	S	*	*			trans	-64.8	88.6	159.5	-59.3	179	0	0	0	104.6	T415 E419	T415-I417 PolarHBondContact O-N 3.5Å; I417-E419 HydrophobicContact CG2-CB 4.22Å; I417-E419 PolarHBondContact O-N 3.45Å
418	I	27.5	Very low	33.1	Very low	137 Å²	137	122.8 Å²	122.8	70%	0.703	64%	0.644	S	S	*	*			trans	-67.8	83.6	158.2	-58.6	177.7	0	0	0	103.4	I416 K420	I416-I418 HydrophobicContact CB-CG1 4.36Å; I416-I418 HydrophobicContact CG2-CG1 3.78Å; I416-I418 PolarHBondContact O-N 3.29Å; I418-K420 PolarHBondContact O-N 2.96Å
419	E	27.4	Very low	31.7	Very low	147 Å²	147	126.2 Å²	126.2	69%	0.687	66%	0.659	S	S	*	*			trans	-56.2	108.4	174.5	-162.1	169.1	-123.8	0	0	105.4	I417 D421	I417-E419 HydrophobicContact CG2-CB 4.22Å; I417-E419 PolarHBondContact O-N 3.45Å; E419-D421 HydrophobicContact CG-CB 4.09Å; E419-D421 PolarHBondContact O-N 3.34Å
420	K	28.3	Very low	30.6	Very low	160 Å²	160	127.3 Å²	127.3	70%	0.696	67%	0.671	S	S	*	*			trans	-84.9	35.6	-164.8	-159.6	-178.8	175.2	-179.6	0	110.3	I418 I423	I418-K420 PolarHBondContact O-N 2.96Å; K420-I423 HydrophobicContact CG-CD1 4.06Å
421	D	28.6	Very low	30	Very low	115 Å²	115	126.1 Å²	126.1	62%	0.615	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	126.3	-162.5	-79.9	38.6	0	0	0	108	E419	E419-D421 HydrophobicContact CG-CB 4.09Å; E419-D421 PolarHBondContact O-N 3.34Å
422	N	29.6	Very low	29.4	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	60	48.4	-172.6	-50.5	-53.6	0	0	0	114.1	L424	N422-L424 PolarHBondContact O-N 2.94Å
423	I	27.5	Very low	29	Very low	119 Å²	119	130.7 Å²	130.7	61%	0.61	69%	0.693	S	S	*	*				-60.9	82.5	125.6	-53.3	-179.5	0	0	0	106.4	K420 D425	K420-I423 HydrophobicContact CG-CD1 4.06Å; I423-D425 HydrophobicContact CG2-CB 4.19Å; I423-D425 PolarHBondContact O-N 3.48Å
424	L	28.1	Very low	28.5	Very low	137 Å²	137	129.6 Å²	129.6	72%	0.717	70%	0.696	S	S	*	*			trans	-69.3	88.3	160.1	-176.1	74.4	0	0	0	105.3	N422 S426	N422-L424 PolarHBondContact O-N 2.94Å; L424-S426 PolarHBondContact O-N 3.38Å; L424-S426 PolarHBondContact O-OG 3.27Å
425	D	27.7	Very low	28.5	Very low	116 Å²	116	131.5 Å²	131.5	62%	0.62	71%	0.706	S	S	*	*			trans	-70.6	71.8	171.5	-166.3	-12.2	0	0	0	108.5	I423 T427	I423-D425 HydrophobicContact CG2-CB 4.19Å; I423-D425 PolarHBondContact O-N 3.48Å; D425-T427 PolarHBondContact O-N 2.97Å; D425-T427 WeakPolarHBondContact OD1-CB 3.35Å; D425-T427 PolarHBondContact OD1-N 3.29Å; D425-T427 PolarHBondContact OD1-OG1 2.93Å
426	S	28.4	Very low	28.7	Very low	83 Å²	83	134.8 Å²	134.8	58%	0.58	72%	0.72	S	S	*	*			trans	-75.3	42.8	167.7	56.2	0	0	0	0	110.5	L424 L428	L424-S426 PolarHBondContact O-N 3.38Å; L424-S426 PolarHBondContact O-OG 3.27Å; S426-L428 PolarHBondContact O-N 2.9Å
427	T	28.7	Very low	29.1	Very low	108 Å²	108	135 Å²	135	66%	0.663	73%	0.728	S	S	*	*			trans	-56.9	74.4	141.1	-60.5	0	0	0	0	108.2	D425 K429	D425-T427 PolarHBondContact O-N 2.97Å; D425-T427 WeakPolarHBondContact OD1-CB 3.35Å; D425-T427 PolarHBondContact OD1-N 3.29Å; D425-T427 PolarHBondContact OD1-OG1 2.93Å; T427-K429 VanDerWaalsContact C-N 3.26Å; T427-K429 PolarHBondContact O-N 2.98Å
428	L	29.4	Very low	29.5	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	73%	0.733	S	S	*	*			trans	-56	95.8	162.1	-96.3	152.9	0	0	0	106.3	S426	S426-L428 PolarHBondContact O-N 2.9Å
429	K	28.9	Very low	29.7	Very low	175 Å²	175	137 Å²	137	76%	0.761	74%	0.737	S	S	*	*			trans	-45.1	130.1	153	-74	-177.7	177.7	176.3	0	106	T427 A431	T427-K429 VanDerWaalsContact C-N 3.26Å; T427-K429 PolarHBondContact O-N 2.98Å; K429-A431 VanDerWaalsContact C-N 3.27Å; K429-A431 PolarHBondContact O-N 3.45Å
430	P	27.4	Very low	30	Very low	122 Å²	122	133.8 Å²	133.8	79%	0.792	74%	0.736	S	S	*	*			trans	-62.2	96.1	176.3	24.9	-32.9	0	0	0	108	T432	P430-T432 PolarHBondContact O-N 3.4Å; P430-T432 VanDerWaalsContact O-N 3.1Å; P430-T432 PolarHBondContact O-OG1 3.43Å
431	A	31.4	Very low	30.3	Very low	66 Å²	66	132.5 Å²	132.5	55%	0.545	74%	0.737	S	S	.	*			trans	-76	101.6	-178.2	0	0	0	0	0	106.7	K429 Y433	K429-A431 VanDerWaalsContact C-N 3.27Å; K429-A431 PolarHBondContact O-N 3.45Å; A431-Y433 HydrophobicContact CB-CD2 3.85Å; A431-Y433 HydrophobicContact CB-CE2 4.07Å; A431-Y433 PolarHBondContact O-N 2.93Å
432	T	28	Very low	30.6	Very low	138 Å²	138	133.3 Å²	133.3	85%	0.847	74%	0.741	S	S	*	*			trans	-67.4	68.7	-170.9	-44.3	0	0	0	0	112.6	P430 S434	P430-T432 PolarHBondContact O-N 3.4Å; P430-T432 VanDerWaalsContact O-N 3.1Å; P430-T432 PolarHBondContact O-OG1 3.43Å; T432-S434 PolarHBondContact O-N 3.49Å
433	Y	31.2	Very low	30.9	Very low	198 Å²	198	132.3 Å²	132.3	78%	0.776	73%	0.734	S	S	*	*			trans	-97.5	85.7	178.6	-79.4	-73.6	0	0	0	111.4	A431 N435	A431-Y433 HydrophobicContact CB-CD2 3.85Å; A431-Y433 HydrophobicContact CB-CE2 4.07Å; A431-Y433 PolarHBondContact O-N 2.93Å; Y433-N435 PolarHBondContact O-N 3.2Å
434	S	28.1	Very low	31.4	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	74%	0.736	S	S	*	*			trans	2.9	86.7	141.3	175.4	0	0	0	0	116.3	T432	T432-S434 PolarHBondContact O-N 3.49Å
435	N	31.1	Very low	31.7	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	74%	0.742	S	S	*	*			trans	-112.3	109.4	154	-92.8	-23.2	0	0	0	108	Y433	Y433-N435 PolarHBondContact O-N 3.2Å
436	N	32.1	Very low	32	Very low	168 Å²	168	136 Å²	136	90%	0.898	75%	0.748	S	S	*	*			trans	-169.4	80	161	-103.5	-26.7	0	0	0	110.8
437	T	35.8	Very low	32.2	Very low	138 Å²	138	139.2 Å²	139.2	85%	0.847	76%	0.758	S	S	*	*			trans	-94.7	118.2	162.7	19.3	0	0	0	0	110.2
438	K	33.6	Very low	32.3	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	77%	0.768	S	S	*	*			trans	72.2	96.2	164.8	-68.1	-174.6	172.4	-179.5	0	119.8
439	T	31.9	Very low	32.4	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	77%	0.772	S	S	*	*				54.6	125.4	116.6	-20	0	0	0	0	121.3
440	A	33.6	Very low	32.5	Very low	80 Å²	80	142.6 Å²	142.6	66%	0.661	77%	0.774	S	S	*	*			trans	68.5	144.3	147.2	0	0	0	0	0	118.6
441	N	35	Very low	32.4	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	77%	0.774	S	S	*	*			cis	-159.9	173.6	-10.5	-117.8	19.1	0	0	0	109
442	D	34.9	Very low	32.4	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	78%	0.784	S	S	*	*			trans	68.2	149.6	156.4	-57.7	-18.9	0	0	0	119.1
443	I	36.8	Very low	32.5	Very low	133 Å²	133	149.7 Å²	149.7	68%	0.682	79%	0.785	S	S	*	*			cis	-164	153.4	-39.2	-123.3	167.3	0	0	0	108.4
444	N	36.9	Very low	32.3	Very low	123 Å²	123	147.7 Å²	147.7	66%	0.658	79%	0.788	S	S	*	*			trans	66.9	127.5	170.1	-79.1	-35.8	0	0	0	117.1
445	R	34.2	Very low	32.3	Very low	224 Å²	224	147 Å²	147	85%	0.845	78%	0.783	S	S	*	*				85.4	128	59.4	-176.4	-178.5	-171.2	177.4	3.5	110.7
446	S	35.1	Very low	32	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	78%	0.78	S	S	*	*			cis	-146.1	160.4	21.5	48.3	0	0	0	0	115.7
447	N	33	Very low	31.7	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	77%	0.771	S	S	*	*			trans	-45	141.3	174.9	-38.5	-14.1	0	0	0	115.7
448	N	30.3	Very low	31.2	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	76%	0.763	S	S	*	*				-153.7	138.7	102.4	-135.1	7	0	0	0	110.1
449	I	31.7	Very low	30.8	Very low	167 Å²	167	141.6 Å²	141.6	86%	0.856	76%	0.759	S	S	*	*			trans	-125.6	113.6	177.9	-62.6	176	0	0	0	108.2
450	E	29.5	Very low	30.5	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	76%	0.76	S	S	*	*			trans	-121.3	124.8	164	-173.8	169	-160.9	0	0	108.9	Q452	E450-Q452 PolarHBondContact O-N 3.11Å; E450-Q452 VanDerWaalsContact O-N 3.15Å
451	S	27.3	Very low	30.1	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	76%	0.762	S	S	*	*			trans	-86.4	83.6	-171	57.5	0	0	0	0	111.7
452	Q	30	Very low	29.7	Very low	161 Å²	161	144.5 Å²	144.5	75%	0.752	77%	0.765	S	S	*	*			trans	-80.8	138.4	167.6	-68.6	-164	-4.6	0	0	111.6	E450	E450-Q452 PolarHBondContact O-N 3.11Å; E450-Q452 VanDerWaalsContact O-N 3.15Å
453	K	29.5	Very low	29.3	Very low	200 Å²	200	144.3 Å²	144.3	87%	0.87	77%	0.769	S	S	*	*			trans	-73	124.7	171.4	-73.1	176.2	174.2	177	0	109	S455	K453-S455 VanDerWaalsContact C-N 3.26Å; K453-S455 PolarHBondContact O-N 2.8Å
454	N	27.6	Very low	28.7	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	78%	0.778	S	S	*	*			trans	-70.1	83.4	166.1	-77.1	-0.7	0	0	0	110.4	V456	N454-V456 PolarHBondContact O-N 2.97Å
455	S	27.6	Very low	28.4	Very low	99 Å²	99	147.2 Å²	147.2	69%	0.692	78%	0.777	S	S	*	*			trans	-70.7	100.8	161.4	53.2	0	0	0	0	108.6	K453 T457	K453-S455 VanDerWaalsContact C-N 3.26Å; K453-S455 PolarHBondContact O-N 2.8Å; S455-T457 VanDerWaalsContact C-N 3.35Å; S455-T457 PolarHBondContact O-N 3.01Å
456	V	26.6	Very low	28.2	Very low	123 Å²	123	143.7 Å²	143.7	75%	0.745	78%	0.775	S	S	*	*			trans	-72.5	92.2	174.4	-179.2	0	0	0	0	108.4	N454 I458	N454-V456 PolarHBondContact O-N 2.97Å; V456-I458 VanDerWaalsContact C-N 3.34Å; V456-I458 HydrophobicContact CG1-CG1 4.07Å; V456-I458 PolarHBondContact O-N 3.12Å
457	T	24.8	Very low	28	Very low	115 Å²	115	144.7 Å²	144.7	71%	0.706	77%	0.766	S	S	*	*			trans	-69.9	90	172.8	-55.1	0	0	0	0	109.1	S455 H459	S455-T457 VanDerWaalsContact C-N 3.35Å; S455-T457 PolarHBondContact O-N 3.01Å; T457-H459 PolarHBondContact O-N 3.22Å; T457-H459 VanDerWaalsContact O-N 3.14Å
458	I	24.8	Very low	27.8	Very low	132 Å²	132	147.4 Å²	147.4	68%	0.677	77%	0.765	S	S	*	*			trans	-68	111.3	171.7	-59.9	-179.4	0	0	0	107.8	V456 L460	V456-I458 VanDerWaalsContact C-N 3.34Å; V456-I458 HydrophobicContact CG1-CG1 4.07Å; V456-I458 PolarHBondContact O-N 3.12Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.36Å
459	H	25.6	Very low	27.8	Very low	164 Å²	164	145.4 Å²	145.4	76%	0.759	76%	0.76	S	S	*	*			trans	-74.4	86.6	178.6	-138.4	-82.7	0	0	0	109.2	T457 N461	T457-H459 PolarHBondContact O-N 3.22Å; T457-H459 VanDerWaalsContact O-N 3.14Å; H459-N461 PolarHBondContact O-N 3.27Å
460	L	25.2	Very low	27.7	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	74%	0.742	S	S	*	*			trans	-65.9	99.6	173.4	-83.8	162	0	0	0	109.4	I458	I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.36Å
461	N	25	Very low	27.6	Very low	128 Å²	128	138.2 Å²	138.2	68%	0.684	74%	0.74	S	S	*	*			trans	-58.4	135.9	164.2	-99.2	-6.5	0	0	0	109	H459 T463	H459-N461 PolarHBondContact O-N 3.27Å; N461-T463 VanDerWaalsContact C-N 3.31Å; N461-T463 PolarHBondContact O-N 3.15Å
462	P	26.7	Very low	27.8	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	73%	0.734	S	S	*	*			trans	-73.1	87.4	173.6	30.3	-33.7	0	0	0	109.6	M464	P462-M464 PolarHBondContact O-N 2.95Å
463	T	26.6	Very low	27.9	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	74%	0.736	S	S	*	*			trans	-57.9	121.3	166.8	-42.2	0	0	0	0	108.1	N461 E465	N461-T463 VanDerWaalsContact C-N 3.31Å; N461-T463 PolarHBondContact O-N 3.15Å; T463-E465 PolarHBondContact O-N 3.15Å
464	M	25.4	Very low	27.9	Very low	178 Å²	178	138.4 Å²	138.4	88%	0.877	73%	0.731	S	S	*	*			trans	-64.7	109.8	-175.8	-72	-174.7	-73.4	0	0	110.9	P462 N466	P462-M464 PolarHBondContact O-N 2.95Å; M464-N466 PolarHBondContact O-N 2.82Å
465	E	29.3	Very low	28.1	Very low	139 Å²	139	138.2 Å²	138.2	65%	0.65	73%	0.729	S	S	*	*			trans	-63.4	106	167	-67.7	-178.6	134.8	0	0	108.8	T463 K467	T463-E465 PolarHBondContact O-N 3.15Å; E465-K467 HydrophobicContact CB-CD 4.44Å; E465-K467 HydrophobicContact CB-CG 4.4Å; E465-K467 PolarHBondContact O-N 3.35Å; E465-K467 IonicContact OE1-NZ 2.92Å; E465-K467 WeakPolarHBondContact OE2-CE 3.37Å; E465-K467 IonicContact OE2-NZ 3.72Å; E465-K467 PolarHBondContact OE2-NZ 2.76Å
466	N	30	Very low	28.2	Very low	149 Å²	149	139.1 Å²	139.1	80%	0.797	73%	0.731	S	S	*	*			trans	-79.8	63.4	-173.1	-147.2	5.9	0	0	0	111.3	M464 R468	M464-N466 PolarHBondContact O-N 2.82Å; N466-R468 PolarHBondContact O-N 3.41Å; N466-R468 VanDerWaalsContact O-N 3.08Å
467	K	31.1	Very low	28.3	Very low	125 Å²	125	139.5 Å²	139.5	54%	0.543	73%	0.734	S	S	.	*			trans	-68.8	101.5	-175.1	-80.3	170.2	175.3	156.9	0	111.3	E465 T469	E465-K467 HydrophobicContact CB-CD 4.44Å; E465-K467 HydrophobicContact CB-CG 4.4Å; E465-K467 PolarHBondContact O-N 3.35Å; E465-K467 IonicContact OE1-NZ 2.92Å; E465-K467 WeakPolarHBondContact OE2-CE 3.37Å; E465-K467 IonicContact OE2-NZ 3.72Å; E465-K467 PolarHBondContact OE2-NZ 2.76Å; K467-T469 PolarHBondContact O-N 3.03Å
468	R	30.2	Very low	28.5	Very low	207 Å²	207	139.9 Å²	139.9	78%	0.781	74%	0.736	S	S	*	*			trans	-94.6	90.3	177.6	-152.7	-179.5	-157.2	-168.2	6.8	110.8	N466	N466-R468 PolarHBondContact O-N 3.41Å; N466-R468 VanDerWaalsContact O-N 3.08Å
469	T	29	Very low	28.6	Very low	122 Å²	122	139.8 Å²	139.8	75%	0.748	74%	0.742	S	S	*	*			trans	-85.6	124.2	171	-51.6	0	0	0	0	109.9	K467	K467-T469 PolarHBondContact O-N 3.03Å
470	V	29	Very low	28.8	Very low	80 Å²	80	137.4 Å²	137.4	49%	0.485	74%	0.739	S	S	.	*			trans	-116.9	108	174.9	-178.9	0	0	0	0	108.9
471	S	28.4	Very low	29.1	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	74%	0.736	S	S	*	*			trans	-86.2	119	171.1	58	0	0	0	0	110.1
472	F	32	Very low	29	Very low	155 Å²	155	135.4 Å²	135.4	68%	0.68	74%	0.743	S	S	*	*			trans	-69.7	144.7	163.9	-66.8	-82.9	0	0	0	109.9
473	K	30.4	Very low	29.3	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	74%	0.744	S	S	*	*			trans	-114.3	129.6	-178.8	-164.6	-177.5	-174.9	-172.6	0	107.7	D475	K473-D475 PolarHBondContact O-N 2.89Å
474	D	31.1	Very low	29.3	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	75%	0.748	S	S	*	*			trans	-72.8	100.3	-177.2	-62.6	-45.3	0	0	0	110.7	T476	D474-T476 VanDerWaalsContact C-N 3.3Å; D474-T476 PolarHBondContact O-N 3.2Å
475	D	30.4	Very low	29.6	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	74%	0.744	S	S	*	*			trans	-78.7	78.1	172.2	-82	-22.7	0	0	0	110.3	K473 T477	K473-D475 PolarHBondContact O-N 2.89Å; D475-T477 PolarHBondContact O-N 3.45Å
476	T	31	Very low	29.5	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	75%	0.752	S	S	*	*			trans	-65.5	116.7	178.6	-36.1	0	0	0	0	111.2	D474 T478	D474-T476 VanDerWaalsContact C-N 3.3Å; D474-T476 PolarHBondContact O-N 3.2Å; T476-T478 PolarHBondContact O-N 2.68Å
477	T	28.6	Very low	29.6	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	75%	0.754	S	S	*	*			trans	-66.7	98	-174.8	40.4	0	0	0	0	113	D475 T479	D475-T477 PolarHBondContact O-N 3.45Å; T477-T479 PolarHBondContact O-N 2.9Å
478	T	29.2	Very low	29.6	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	77%	0.769	S	S	*	*			trans	-84.4	89.2	173.6	-55.9	0	0	0	0	110.5	T476 T480	T476-T478 PolarHBondContact O-N 2.68Å; T478-T480 PolarHBondContact O-N 3.32Å
479	T	25.8	Very low	29.8	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	77%	0.773	S	S	*	*			trans	-69.7	120.5	168.6	-57.7	0	0	0	0	109.4	T477	T477-T479 PolarHBondContact O-N 2.9Å
480	T	30.8	Very low	29.9	Very low	114 Å²	114	129.9 Å²	129.9	70%	0.699	78%	0.776	S	S	*	*			trans	-134.3	100.5	169.9	-59.4	0	0	0	0	111.1	T478	T478-T480 PolarHBondContact O-N 3.32Å
481	T	30.2	Very low	30.3	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	79%	0.794	S	S	*	*			trans	12.9	119.8	151.6	-37	0	0	0	0	118.1
482	S	24.5	Very low	30.5	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	79%	0.79	S	S	*	*			trans	-64.4	137.9	167.3	39.1	0	0	0	0	112.6
483	S	31.2	Very low	30.7	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	79%	0.794	S	S	*	*			trans	-136	130.5	163.2	56.2	0	0	0	0	109.9
484	T	27.7	Very low	30.9	Very low	140 Å²	140	129 Å²	129	86%	0.859	79%	0.79	S	S	*	*			trans	-91.7	128.1	-177	47	0	0	0	0	111.3
485	T	30.7	Very low	31.1	Very low	132 Å²	132	128.7 Å²	128.7	81%	0.81	79%	0.789	S	S	*	*			trans	-138	121.8	160.8	-43.7	0	0	0	0	110.3
486	T	27.7	Very low	31.3	Very low	132 Å²	132	128.8 Å²	128.8	81%	0.81	79%	0.788	S	S	*	*			trans	-88.7	138.8	176	6.1	0	0	0	0	111.2
487	T	33.1	Very low	31.6	Very low	136 Å²	136	128.8 Å²	128.8	83%	0.834	79%	0.79	S	S	*	*			trans	-149.2	131.6	160.8	4.3	0	0	0	0	110.7
488	N	31.2	Very low	31.6	Very low	161 Å²	161	126.7 Å²	126.7	86%	0.861	79%	0.786	S	S	*	*			trans	-88.8	143.2	-179.1	-67.7	-30.1	0	0	0	111.5
489	A	34.4	Very low	31.8	Very low	106 Å²	106	127.8 Å²	127.8	88%	0.876	79%	0.786	S	S	*	*			trans	-146.5	104	161.6	0	0	0	0	0	110.4
490	T	30.2	Very low	32.2	Very low	130 Å²	130	130.8 Å²	130.8	80%	0.798	78%	0.784	S	S	*	*			trans	-94.5	133.4	178	46.2	0	0	0	0	112.1
491	N	37.2	Very low	32.4	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	78%	0.783	S	S	*	*			trans	-164.7	175.5	147	-108.1	-40.3	0	0	0	111.8
492	N	33.6	Very low	32.4	Very low	128 Å²	128	132.6 Å²	132.6	68%	0.684	79%	0.785	S	S	*	*				-168.6	162.8	-95.8	-174.3	21.3	0	0	0	110.2
493	I	35.5	Very low	32.9	Very low	147 Å²	147	131.7 Å²	131.7	75%	0.754	78%	0.775	S	S	*	*			trans	68.5	136.2	168.7	-61.2	148.4	0	0	0	117
494	G	34.3	Very low	32.9	Very low	69 Å²	69	133 Å²	133	71%	0.711	77%	0.773	S	S	*	*			trans	159.1	53	165.4	0	0	0	0	0	121.5
495	N	36.1	Very low	33.3	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	77%	0.772	S	S	*	*			trans	19.6	124.2	154	-57.3	-6.6	0	0	0	121.2
496	I	33.8	Very low	33.4	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	77%	0.771	S	S	*	*				67	137.8	69.4	-64	169.9	0	0	0	113.5
497	P	37	Very low	33.8	Very low	118 Å²	118	134.3 Å²	134.3	77%	0.766	77%	0.774	S	S	*	*			cis	-128.6	-170.8	-4.6	41	-24.2	0	0	0	115
498	A	30.4	Very low	33.7	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	77%	0.766	S	S	*	*			trans	-103.4	159.6	160.1	0	0	0	0	0	111.5
499	L	32.9	Very low	33.9	Very low	147 Å²	147	133.6 Å²	133.6	77%	0.77	76%	0.763	S	S	*	*			trans	-162	132	158.8	-132.6	89.1	0	0	0	114.8
500	Y	33.2	Very low	33.7	Very low	192 Å²	192	134.9 Å²	134.9	75%	0.753	76%	0.756	S	S	*	*			trans	79.6	117.8	141.7	-83.8	-154.7	0	0	0	125
501	N	35.3	Very low	34	Very low	124 Å²	124	135.7 Å²	135.7	66%	0.663	76%	0.755	S	S	*	*				99.2	89.2	122	-68.5	5.7	0	0	0	123.5
502	N	31.5	Very low	33.7	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	75%	0.747	S	S	*	*				58.7	139.1	105.1	-110.6	23.7	0	0	0	124
503	T	34	Very low	33.7	Very low	101 Å²	101	135.1 Å²	135.1	62%	0.62	75%	0.754	S	S	*	*			trans	83.6	102.8	142.2	-54.2	0	0	0	0	119.6
504	D	31.7	Very low	33.6	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	75%	0.753	S	S	*	*				25.2	123.3	129.9	-42.8	-46.9	0	0	0	120.1
505	S	36.6	Very low	33.6	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	76%	0.763	S	S	*	*				-173.2	160.4	115.2	34.1	0	0	0	0	112.3
506	N	32.7	Very low	33.2	Very low	145 Å²	145	142.3 Å²	142.3	78%	0.775	77%	0.766	S	S	*	*			trans	-68.7	146.9	172.6	-54.9	-59	0	0	0	110.7
507	N	34.7	Very low	33.2	Very low	164 Å²	164	140.8 Å²	140.8	88%	0.877	77%	0.769	S	S	*	*				-165.2	154.5	105.5	-99	-30.7	0	0	0	115.1
508	N	31	Very low	32.7	Very low	126 Å²	126	141.5 Å²	141.5	67%	0.674	77%	0.771	S	S	*	*			trans	-81.9	142.6	170.5	174.3	33.2	0	0	0	110.2
509	I	36	Very low	32.7	Very low	156 Å²	156	145.3 Å²	145.3	80%	0.8	78%	0.779	S	S	*	*			trans	-163.9	138.4	154.5	-102.6	152	0	0	0	108.4
510	N	31.1	Very low	32.5	Very low	133 Å²	133	145.2 Å²	145.2	71%	0.711	78%	0.779	S	S	*	*			trans	-95.7	140.3	167.2	-57.5	-67	0	0	0	108.8
511	D	34.7	Very low	32.4	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	78%	0.781	S	S	*	*			trans	-159	124.7	137.6	-91.3	-36	0	0	0	106.3
512	V	32	Very low	32.1	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.685	79%	0.788	S	S	*	*				68.9	105.4	64.1	179.7	0	0	0	0	111.9
513	I	34	Very low	32.1	Very low	165 Å²	165	142.9 Å²	142.9	85%	0.846	79%	0.793	S	S	*	*				-172.5	139.6	129.8	-97	157.1	0	0	0	108.9
514	H	32	Very low	31.8	Very low	158 Å²	158	142.6 Å²	142.6	73%	0.731	80%	0.795	S	S	*	*			trans	-77.5	157	176.5	-65.4	-110.5	0	0	0	112
515	Q	34.7	Very low	31.6	Very low	195 Å²	195	144 Å²	144	91%	0.911	80%	0.801	S	S	*	*				-162.2	156.9	118.8	-107.3	162.8	31.3	0	0	112.6
516	N	28.6	Very low	31.2	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	80%	0.796	S	S	*	*			trans	-109.7	141.7	-177.2	-40.9	-56.7	0	0	0	110.5
517	S	32.4	Very low	31	Very low	123 Å²	123	147.2 Å²	147.2	86%	0.86	80%	0.803	S	S	*	*			trans	-167.7	139.7	144.5	54.2	0	0	0	0	111.8
518	V	27.3	Very low	30.6	Very low	133 Å²	133	144.9 Å²	144.9	81%	0.806	80%	0.795	S	S	*	*			trans	-88.1	136.8	168.7	173	0	0	0	0	109.2
519	L	31.3	Very low	30.7	Very low	166 Å²	166	144.1 Å²	144.1	87%	0.869	80%	0.799	S	S	*	*			trans	-162	154.2	146	-138.5	72	0	0	0	111.9
520	D	27.6	Very low	30.5	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	80%	0.798	S	S	*	*			trans	-78.8	156.6	176.9	-58	-82.6	0	0	0	113.4
521	S	31.2	Very low	30.5	Very low	114 Å²	114	143 Å²	143	80%	0.797	79%	0.794	S	S	*	*			trans	-148.4	107.9	161.2	61.4	0	0	0	0	111.1
522	T	29	Very low	30.4	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	79%	0.789	S	S	*	*			trans	-89.7	121.2	172.1	49.7	0	0	0	0	110.8
523	D	31.1	Very low	30.5	Very low	171 Å²	171	143.8 Å²	143.8	91%	0.914	79%	0.789	S	S	*	*			trans	-81.1	125	166.6	-78.6	-41.6	0	0	0	110.7
524	S	28.4	Very low	30.5	Very low	94 Å²	94	141.6 Å²	141.6	66%	0.657	78%	0.779	S	S	*	*			trans	-125.2	132.1	178.1	65.6	0	0	0	0	110.8
525	I	28.3	Very low	30.5	Very low	172 Å²	172	140.1 Å²	140.1	88%	0.882	78%	0.776	S	S	*	*			trans	-102	115.8	172.8	-63.1	176	0	0	0	108.5
526	Q	26.6	Very low	30.3	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.743	77%	0.767	S	S	*	*			trans	-88.1	148.1	173.5	-65.3	-177.6	-5.5	0	0	111.2
527	L	28.3	Very low	30.4	Very low	176 Å²	176	137.7 Å²	137.7	92%	0.921	76%	0.763	S	S	*	*			trans	-146.2	132.7	160.7	-106.9	161.9	0	0	0	108.1
528	T	26.7	Very low	30.3	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	76%	0.762	S	S	*	*			trans	-127.7	122.5	-157.1	51.1	0	0	0	0	114.3
529	S	34.2	Very low	30.4	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	76%	0.761	S	S	*	*			trans	-167.7	122.1	154.4	51.8	0	0	0	0	106.7
530	L	31.1	Very low	30.3	Very low	149 Å²	149	141 Å²	141	78%	0.78	75%	0.754	S	S	*	*				48.8	130.5	73.7	-86.6	73.4	0	0	0	112.4
531	D	31.9	Very low	30.3	Very low	116 Å²	116	141.2 Å²	141.2	62%	0.62	76%	0.755	S	S	*	*			cis	-164.1	156.5	5.7	-133.7	-9.4	0	0	0	112
532	L	32.7	Very low	30.3	Very low	132 Å²	132	143.3 Å²	143.3	69%	0.691	76%	0.758	S	S	*	*			trans	56.2	156.6	152.3	-53.8	162.8	0	0	0	118.7
533	H	33.1	Very low	30.4	Very low	146 Å²	146	144.6 Å²	144.6	68%	0.676	76%	0.759	S	S	*	*			cis	-163.3	148.6	-19.3	-124.7	-44.8	0	0	0	106.7
534	N	33.3	Very low	30.2	Very low	119 Å²	119	141.5 Å²	141.5	64%	0.636	75%	0.751	S	S	*	*			trans	59.8	158.4	145.6	-71.7	32.3	0	0	0	120.1
535	D	32.6	Very low	30.2	Very low	126 Å²	126	145.8 Å²	145.8	67%	0.674	76%	0.758	S	S	*	*			cis	-147.9	161.8	-7.7	-109.2	-26.2	0	0	0	112
536	E	31.2	Very low	30.1	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.734	75%	0.753	S	S	*	*			trans	14.7	138.9	155.4	-66.6	-158.9	121.2	0	0	124.9
537	L	30.7	Very low	30.1	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	76%	0.756	S	S	*	*			trans	53.7	113.6	134.1	-59.7	169	0	0	0	120.6
538	N	30	Very low	30	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	75%	0.749	S	S	*	*				-161.9	165.6	93.3	-137.4	-39.7	0	0	0	113.8
539	Y	28.6	Very low	29.9	Very low	200 Å²	200	141.8 Å²	141.8	78%	0.784	75%	0.752	S	S	*	*			trans	-89.3	166.2	176.3	-106.6	-110.8	0	0	0	113.3
540	N	29.3	Very low	29.5	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	75%	0.749	S	S	*	*			trans	85	145.9	162.2	-54.6	-41.1	0	0	0	119.6
541	N	28.7	Very low	29.2	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	75%	0.749	S	S	*	*			trans	64.3	78.4	159.9	-59.9	-14	0	0	0	118.7
542	N	30.4	Very low	29	Very low	159 Å²	159	142 Å²	142	85%	0.85	76%	0.757	S	S	*	*			trans	-122.5	69.4	148.5	-95.5	-53.6	0	0	0	110.8
543	L	30.6	Very low	28.7	Very low	157 Å²	157	143.8 Å²	143.8	82%	0.822	76%	0.762	S	S	*	*			trans	-96	137.8	158.5	-165.1	77	0	0	0	107.7
544	S	27	Very low	28.3	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	77%	0.771	S	S	*	*			trans	60.9	87.4	169.1	-57.3	0	0	0	0	117.5
545	K	28.5	Very low	28	Very low	184 Å²	184	142.3 Å²	142.3	80%	0.8	78%	0.777	S	S	*	*			trans	-116.8	124.8	141.4	-82.3	-174.9	177.2	175.7	0	109
546	P	26.6	Very low	27.8	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	79%	0.786	S	S	*	*			trans	-75	144.9	179.9	31	-34.3	0	0	0	111	S548	P546-S548 PolarHBondContact O-N 2.9Å
547	I	26.7	Very low	27.5	Very low	157 Å²	157	144.9 Å²	144.9	81%	0.805	79%	0.792	S	S	*	*			trans	-72.8	111.3	168	-62.9	175.1	0	0	0	107.7	I549	I547-I549 HydrophobicContact CG2-CG1 4.33Å; I547-I549 PolarHBondContact O-N 3.35Å
548	S	26.3	Very low	27.4	Very low	112 Å²	112	146 Å²	146	78%	0.783	79%	0.793	S	S	*	*			trans	-76.6	100.1	175.1	54.3	0	0	0	0	110.5	P546	P546-S548 PolarHBondContact O-N 2.9Å
549	I	25.4	Very low	27.3	Very low	149 Å²	149	148.1 Å²	148.1	76%	0.764	79%	0.791	S	S	*	*			trans	-82.4	113.6	169.2	-56.3	176.6	0	0	0	108	I547 L551	I547-I549 HydrophobicContact CG2-CG1 4.33Å; I547-I549 PolarHBondContact O-N 3.35Å; I549-L551 PolarHBondContact O-N 2.87Å
550	S	25.3	Very low	27.3	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	79%	0.791	S	S	*	*			trans	-77	114	174.6	52.7	0	0	0	0	110.6	T552	S550-T552 PolarHBondContact O-N 3.4Å
551	L	24.3	Very low	27.4	Very low	151 Å²	151	150 Å²	150	79%	0.791	79%	0.793	S	S	*	*			trans	-67.7	122	171.1	-82.6	158.6	0	0	0	110.9	I549	I549-L551 PolarHBondContact O-N 2.87Å
552	T	27.6	Very low	27.4	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	79%	0.79	S	S	*	*			trans	-127.9	58	166.8	56.8	0	0	0	0	110.7	S550 S554	S550-T552 PolarHBondContact O-N 3.4Å; T552-S554 PolarHBondContact O-N 2.91Å
553	E	25.7	Very low	27.4	Very low	170 Å²	170	150 Å²	150	79%	0.794	79%	0.786	S	S	*	*			trans	-66.9	106.2	160.6	-73	-174	110.9	0	0	109.3
554	S	25.1	Very low	27.4	Very low	123 Å²	123	147.1 Å²	147.1	86%	0.86	78%	0.777	S	S	*	*			trans	-164.1	14.3	167.2	-87.5	0	0	0	0	116.9	T552	T552-S554 PolarHBondContact O-N 2.91Å
555	S	26.7	Very low	27.5	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	78%	0.78	S	S	*	*	S	Bend	trans	-158.9	62.4	-178.7	65.5	0	0	0	0	117.8
556	L	28.2	Very low	27.6	Very low	165 Å²	165	152.1 Å²	152.1	86%	0.864	78%	0.783	S	S	*	*			trans	-157.6	49	150.8	-142.4	75.6	0	0	0	115.4
557	M	26.5	Very low	27.8	Very low	172 Å²	172	152 Å²	152	85%	0.847	78%	0.781	S	S	*	*			trans	-83.3	138.8	163.8	-92.4	-75.5	-178.4	0	0	110.3
558	H	28.1	Very low	27.7	Very low	159 Å²	159	154.2 Å²	154.2	74%	0.736	79%	0.787	S	S	*	*			trans	72.1	89.2	179.6	-53.4	87.3	0	0	0	117.5
559	Y	28.5	Very low	27.9	Very low	202 Å²	202	153.5 Å²	153.5	79%	0.792	78%	0.782	S	S	*	*			trans	-119.5	82.1	138.3	-108.1	-90.5	0	0	0	110	H561	Y559-H561 PolarHBondContact O-N 2.93Å
560	R	27	Very low	28.1	Very low	210 Å²	210	153.9 Å²	153.9	79%	0.792	79%	0.786	S	S	*	*			trans	-83.6	94.1	174.6	-168.4	-174.7	-161	-177.6	5.6	107.7	H562	R560-H562 PolarHBondContact O-N 3.27Å
561	H	31.6	Very low	28.2	Very low	165 Å²	165	157.5 Å²	157.5	76%	0.764	80%	0.795	S	S	*	*			trans	-62	107.8	177.7	-93.6	-85.1	0	0	0	110.4	Y559 I563	Y559-H561 PolarHBondContact O-N 2.93Å; H561-I563 PolarHBondContact O-N 2.99Å
562	H	29.7	Very low	28.6	Very low	162 Å²	162	155.5 Å²	155.5	75%	0.75	79%	0.794	S	S	*	*			trans	-65.3	120.9	169.3	-88.3	-105.1	0	0	0	109.1	R560 P564	R560-H562 PolarHBondContact O-N 3.27Å; H562-P564 WeakPolarHBondContact O-CD 3.36Å
563	I	29.7	Very low	28.7	Very low	148 Å²	148	155.7 Å²	155.7	76%	0.759	79%	0.791	S	S	*	*			trans	-69.5	125.6	159.4	-60.5	172.6	0	0	0	106.5	H561 E565	H561-I563 PolarHBondContact O-N 2.99Å; I563-E565 PolarHBondContact O-N 3.46Å; I563-E565 VanDerWaalsContact O-N 3.15Å
564	P	31.5	Very low	29.1	Very low	96 Å²	96	154.1 Å²	154.1	62%	0.623	79%	0.788	S	S	*	*			trans	-72.6	104.4	170.7	-14.6	30.5	0	0	0	109.4	H562 Y566	H562-P564 WeakPolarHBondContact O-CD 3.36Å; P564-Y566 VanDerWaalsContact C-N 3.34Å; P564-Y566 HydrophobicContact CB-CD2 4.1Å; P564-Y566 HydrophobicContact CB-CE2 4.04Å; P564-Y566 PolarHBondContact O-N 3.38Å
565	E	28.3	Very low	29.4	Very low	176 Å²	176	154.4 Å²	154.4	82%	0.822	78%	0.78	S	S	*	*			trans	-66.5	96	162.6	-71.1	-175.4	128.3	0	0	108.4	I563 T567	I563-E565 PolarHBondContact O-N 3.46Å; I563-E565 VanDerWaalsContact O-N 3.15Å; E565-T567 VanDerWaalsContact C-N 3.33Å; E565-T567 PolarHBondContact O-N 2.92Å
566	Y	30.3	Very low	29.8	Very low	219 Å²	219	156.8 Å²	156.8	86%	0.859	78%	0.783	S	S	*	*			trans	-73.4	92.1	168.3	-93.4	-81.3	0	0	0	109.2	P564	P564-Y566 VanDerWaalsContact C-N 3.34Å; P564-Y566 HydrophobicContact CB-CD2 4.1Å; P564-Y566 HydrophobicContact CB-CE2 4.04Å; P564-Y566 PolarHBondContact O-N 3.38Å
567	T	30.6	Very low	29.7	Very low	119 Å²	119	158.5 Å²	158.5	73%	0.73	78%	0.778	S	S	*	*			trans	-60.3	134.3	175.9	30.4	0	0	0	0	111.5	E565 S569	E565-T567 VanDerWaalsContact C-N 3.33Å; E565-T567 PolarHBondContact O-N 2.92Å; T567-S569 PolarHBondContact O-N 3.12Å
568	Q	26.4	Very low	30	Very low	203 Å²	203	158.9 Å²	158.9	95%	0.949	78%	0.783	S	S	*	*			trans	-78.6	110.8	178.7	-177.8	177	8.6	0	0	109.6
569	S	30.3	Very low	30.1	Very low	96 Å²	96	156.5 Å²	156.5	67%	0.671	77%	0.772	S	S	*	*			trans	-136.2	111.8	177.8	64	0	0	0	0	113.5	T567	T567-S569 PolarHBondContact O-N 3.12Å
570	D	29.9	Very low	30.3	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	77%	0.77	S	S	*	*			trans	53.7	101.3	147.2	-55.2	-28.2	0	0	0	120.5
571	I	26.2	Very low	30.5	Very low	175 Å²	175	150.4 Å²	150.4	90%	0.897	77%	0.769	S	S	*	*			trans	-70.4	125.1	161.8	-63	161.6	0	0	0	109.4
572	S	33	Very low	30.4	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	77%	0.773	S	S	*	*			trans	-148.1	124.3	168.9	176.7	0	0	0	0	112.3
573	N	29.4	Very low	30.3	Very low	131 Å²	131	147.2 Å²	147.2	70%	0.701	77%	0.768	S	S	*	*			trans	-36.9	135.2	180	-59	-36.8	0	0	0	116.8
574	N	34.9	Very low	30.2	Very low	137 Å²	137	148 Å²	148	73%	0.733	77%	0.769	S	S	*	*				-172.2	127.8	90.4	-97.1	-56.5	0	0	0	115.7
575	N	30.3	Very low	30.1	Very low	129 Å²	129	153 Å²	153	69%	0.69	78%	0.781	S	S	*	*			trans	-0	124.3	147.6	-53.2	-41.5	0	0	0	119
576	N	35.1	Very low	29.9	Very low	160 Å²	160	155 Å²	155	86%	0.856	78%	0.782	S	S	*	*				-165.7	74.6	113.6	-96.2	-20.8	0	0	0	114
577	R	26.5	Very low	29.8	Very low	202 Å²	202	149.4 Å²	149.4	76%	0.762	78%	0.775	S	S	*	*			trans	17.8	104.7	132.6	-171.5	-177.7	-173.3	174.7	1.9	117.7	Q579	R577-Q579 HydrophobicContact CG-CG 4.31Å; R577-Q579 VanDerWaalsContact CZ-OE1 3.24Å
578	L	33.6	Very low	29.6	Very low	179 Å²	179	149.6 Å²	149.6	94%	0.937	77%	0.768	S	S	*	*			trans	-124.4	141	134.4	-102.4	166.8	0	0	0	107.3
579	Q	29.3	Very low	29.5	Very low	109 Å²	109	147.3 Å²	147.3	51%	0.509	76%	0.761	S	S	.	*			trans	-105.7	148.2	-175.1	-66.1	171.7	-127.3	0	0	109.8	R577	R577-Q579 HydrophobicContact CG-CG 4.31Å; R577-Q579 VanDerWaalsContact CZ-OE1 3.24Å
580	D	32.6	Very low	29.3	Very low	142 Å²	142	149.7 Å²	149.7	76%	0.759	76%	0.759	S	S	*	*				179.7	107.8	108.6	-83.5	-8.1	0	0	0	111.4
581	D	31.4	Very low	29.1	Very low	142 Å²	142	145.5 Å²	145.5	76%	0.759	74%	0.742	S	S	*	*			trans	44.1	89.6	137.8	-58.4	1	0	0	0	121.3
582	N	29.4	Very low	29.1	Very low	161 Å²	161	142.8 Å²	142.8	86%	0.861	74%	0.736	S	S	*	*				-159.1	140.7	113.7	-125.5	-42.6	0	0	0	112.7
583	P	28.2	Very low	29	Very low	99 Å²	99	146.6 Å²	146.6	64%	0.643	74%	0.739	S	S	*	*			trans	-90.7	159.1	-173.6	-5.6	25.6	0	0	0	115.5
584	H	27.3	Very low	29	Very low	166 Å²	166	147.4 Å²	147.4	77%	0.769	74%	0.742	S	S	*	*			trans	36.3	103.2	149.9	-64.3	-76.1	0	0	0	119.5
585	F	29.2	Very low	28.7	Very low	201 Å²	201	149.3 Å²	149.3	88%	0.882	74%	0.744	S	S	*	*			trans	-136.3	90.9	132.1	-101.1	-74	0	0	0	111.5	S587	F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 2.94Å; F585-S587 VanDerWaalsContact O-N 3.1Å
586	Y	24.9	Very low	28.6	Very low	217 Å²	217	152 Å²	152	85%	0.851	75%	0.753	S	S	*	*			trans	-67.3	96.3	154.5	-106.4	-103	0	0	0	107.1	E588	Y586-E588 PolarHBondContact O-N 2.9Å
587	S	27.6	Very low	28.3	Very low	101 Å²	101	154.4 Å²	154.4	71%	0.706	76%	0.756	S	S	*	*			trans	-78.1	65.5	168.7	43.5	0	0	0	0	110.2	F585 I589	F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 2.94Å; F585-S587 VanDerWaalsContact O-N 3.1Å; S587-I589 WeakPolarHBondContact O-CG1 3.4Å; S587-I589 PolarHBondContact O-N 3.36Å
588	E	25.3	Very low	28.4	Very low	123 Å²	123	152.8 Å²	152.8	58%	0.575	76%	0.757	S	S	*	*			trans	-59	100.4	162.7	-175	-161.1	163.2	0	0	108	Y586 K590	Y586-E588 PolarHBondContact O-N 2.9Å; E588-K590 HydrophobicContact CG-CG 4.13Å; E588-K590 PolarHBondContact O-N 2.9Å; E588-K590 WeakPolarHBondContact OE1-CE 3.36Å; E588-K590 VanDerWaalsContact OE1-CG 3.3Å; E588-K590 WeakPolarHBondContact OE1-CG 3.37Å; E588-K590 IonicContact OE1-NZ 2.78Å; E588-K590 PolarHBondContact OE1-NZ 3.22Å; E588-K590 IonicContact OE2-NZ 2.69Å; E588-K590 PolarHBondContact OE2-NZ 3.34Å
589	I	26.1	Very low	28.1	Very low	156 Å²	156	152.5 Å²	152.5	80%	0.8	75%	0.751	S	S	*	*			trans	-74.5	75.1	178.8	-52.2	-175.7	0	0	0	108.8	S587 S591	S587-I589 WeakPolarHBondContact O-CG1 3.4Å; S587-I589 PolarHBondContact O-N 3.36Å; I589-S591 PolarHBondContact O-N 3.47Å
590	K	25.4	Very low	28	Very low	145 Å²	145	156.4 Å²	156.4	63%	0.63	77%	0.766	S	S	*	*			trans	-60.2	97.1	164.4	-75.7	-174.9	161.6	83.5	0	108.3	E588 P592	E588-K590 HydrophobicContact CG-CG 4.13Å; E588-K590 PolarHBondContact O-N 2.9Å; E588-K590 WeakPolarHBondContact OE1-CE 3.36Å; E588-K590 VanDerWaalsContact OE1-CG 3.3Å; E588-K590 WeakPolarHBondContact OE1-CG 3.37Å; E588-K590 IonicContact OE1-NZ 2.78Å; E588-K590 PolarHBondContact OE1-NZ 3.22Å; E588-K590 IonicContact OE2-NZ 2.69Å; E588-K590 PolarHBondContact OE2-NZ 3.34Å; K590-P592 WeakPolarHBondContact O-CD 3.45Å
591	S	26.6	Very low	27.7	Very low	70 Å²	70	154.9 Å²	154.9	49%	0.49	77%	0.767	S	S	.	*			trans	-59.9	121.8	175.6	60.9	0	0	0	0	109.9	I589 F593	I589-S591 PolarHBondContact O-N 3.47Å; S591-F593 PolarHBondContact O-N 3.08Å
592	P	25.9	Very low	27.4	Very low	119 Å²	119	154.3 Å²	154.3	77%	0.773	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	45.7	-173.1	34.5	-37.7	0	0	0	112.9	K590	K590-P592 WeakPolarHBondContact O-CD 3.45Å
593	F	29.5	Very low	27.3	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.833	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	6.8	-177.4	-85.7	-71.1	0	0	0	115.4	S591	S591-F593 PolarHBondContact O-N 3.08Å
594	L	29.5	Very low	27.3	Very low	148 Å²	148	153.5 Å²	153.5	78%	0.775	78%	0.776	S	S	*	*	S	Bend	trans	-123.9	56.8	177.9	-77.6	170.2	0	0	0	111.7
595	K	28.8	Very low	27.2	Very low	176 Å²	176	152.8 Å²	152.8	77%	0.765	78%	0.776	S	S	*	*	S	Bend	trans	-151.6	8.7	176	-124.5	176	-174.3	-176	0	119
596	E	28.8	Very low	27.1	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	78%	0.775	S	S	*	*	S	Bend	trans	-118.8	6.3	-179.9	-68.7	-167	136	0	0	115.1
597	F	28.9	Very low	27.3	Very low	210 Å²	210	148.6 Å²	148.6	92%	0.921	77%	0.769	S	S	*	*	S	Bend	trans	-110.3	3.8	172.6	-89.8	-86.5	0	0	0	114.5	Q599	F597-Q599 VanDerWaalsContact C-N 3.29Å; F597-Q599 PolarHBondContact O-N 2.74Å
598	E	28.2	Very low	27.5	Very low	169 Å²	169	149.4 Å²	149.4	79%	0.79	77%	0.769	S	S	*	*	S	Bend	trans	-90.1	48.2	171.6	-66.6	-166.7	129.1	0	0	112.5
599	Q	27.4	Very low	27.6	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	78%	0.777	S	S	*	*	S	Bend	trans	-153.3	143.6	169.5	-112.1	168.9	56	0	0	111.6	F597	F597-Q599 VanDerWaalsContact C-N 3.29Å; F597-Q599 PolarHBondContact O-N 2.74Å
600	K	27.5	Very low	27.8	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	78%	0.776	S	S	*	*	S	Bend	trans	78.3	42	179	-52.7	179.8	-179.5	173.5	0	118.4
601	S	26.4	Very low	28	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	78%	0.781	S	S	*	*			trans	-133.4	39.7	158.2	-62.7	0	0	0	0	112.9	T603	S601-T603 VanDerWaalsContact C-N 3.29Å; S601-T603 PolarHBondContact O-N 2.98Å
602	C	25.2	Very low	28.1	Very low	130 Å²	130	153.3 Å²	153.3	88%	0.878	79%	0.792	S	S	*	*			trans	-77.2	70.1	-179	-63.2	0	0	0	0	112.7	S604	C602-S604 PolarHBondContact O-N 3.41Å
603	T	26.6	Very low	28.3	Very low	131 Å²	131	154.4 Å²	154.4	80%	0.804	79%	0.787	S	S	*	*			trans	-92.1	72.4	172.1	-41.5	0	0	0	0	110	S601 I605	S601-T603 VanDerWaalsContact C-N 3.29Å; S601-T603 PolarHBondContact O-N 2.98Å; T603-I605 PolarHBondContact O-N 3.47Å
604	S	27.9	Very low	28.3	Very low	111 Å²	111	153.4 Å²	153.4	78%	0.776	78%	0.782	S	S	*	*			trans	-65.9	127.7	177.4	-170.8	0	0	0	0	111	C602 Y606	C602-S604 PolarHBondContact O-N 3.41Å; S604-Y606 PolarHBondContact O-N 2.88Å
605	I	25	Very low	28.3	Very low	151 Å²	151	152.3 Å²	152.3	77%	0.774	78%	0.777	S	S	*	*			trans	-81.5	106.7	177	-59.3	167	0	0	0	109	T603	T603-I605 PolarHBondContact O-N 3.47Å
606	Y	28.3	Very low	28.5	Very low	219 Å²	219	149.5 Å²	149.5	86%	0.859	78%	0.778	S	S	*	*			trans	-155.5	138.7	148.4	-95	-72.2	0	0	0	109.9	S604	S604-Y606 PolarHBondContact O-N 2.88Å
607	P	29.3	Very low	28.6	Very low	111 Å²	111	150 Å²	150	72%	0.721	77%	0.772	S	S	*	*			trans	-94.1	-166.5	179.6	39	-36.1	0	0	0	112.6
608	V	30.1	Very low	28.8	Very low	118 Å²	118	145.5 Å²	145.5	72%	0.715	76%	0.758	S	S	*	*			trans	109.9	89.5	170.4	-176.2	0	0	0	0	115.2
609	D	28.6	Very low	29.1	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	75%	0.749	S	S	*	*				65.9	157.1	125.2	-51.9	-12.7	0	0	0	124.1
610	N	30.9	Very low	29.5	Very low	146 Å²	146	140.8 Å²	140.8	78%	0.781	74%	0.743	S	S	*	*			trans	66.7	88.9	167.7	-72.1	-9.5	0	0	0	119.6
611	E	28.3	Very low	29.7	Very low	157 Å²	157	137.2 Å²	137.2	73%	0.734	74%	0.738	S	S	*	*				38.8	140.7	108.4	-66.7	-160.3	-176.4	0	0	122
612	N	28.5	Very low	30	Very low	135 Å²	135	137.6 Å²	137.6	72%	0.722	74%	0.736	S	S	*	*			trans	95.8	142.1	142.9	-70.7	-41.1	0	0	0	120.8
613	E	30.1	Very low	30.3	Very low	142 Å²	142	136.3 Å²	136.3	66%	0.664	72%	0.724	S	S	*	*			trans	73	111.4	158	-66.7	-149.5	143.3	0	0	121.7
614	K	29.9	Very low	30.6	Very low	169 Å²	169	136.2 Å²	136.2	74%	0.735	72%	0.723	S	S	*	*				64.2	152.1	115.7	-69.7	175.1	-172.6	166.1	0	119.2
615	L	29.9	Very low	30.8	Very low	125 Å²	125	137.1 Å²	137.1	65%	0.654	72%	0.719	S	S	*	*			cis	-171.2	138.1	-9.3	164.8	77.9	0	0	0	107.5	R617	L615-R617 HydrophobicContact CD1-CG 4.22Å
616	C	32.9	Very low	31.2	Very low	118 Å²	118	137.6 Å²	137.6	80%	0.797	72%	0.724	S	S	*	*			trans	174.9	117.1	145.3	-98.6	0	0	0	0	107.2
617	R	31.1	Very low	31.2	Very low	195 Å²	195	134.4 Å²	134.4	74%	0.736	72%	0.721	S	S	*	*				53.4	132	52.1	-72.2	-164.6	163.5	171.5	-3.8	111.8	L615	L615-R617 HydrophobicContact CD1-CG 4.22Å
618	N	32.8	Very low	31.5	Very low	117 Å²	117	133.6 Å²	133.6	63%	0.626	72%	0.716	S	S	*	*			cis	-155.9	173.4	14.8	-110.7	-1.8	0	0	0	107.8
619	N	35.3	Very low	31.5	Very low	112 Å²	112	135.7 Å²	135.7	60%	0.599	72%	0.723	S	S	*	*			cis	-162.3	151.7	21.8	-116.5	-12.7	0	0	0	109.4
620	N	34.6	Very low	31.4	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	73%	0.728	S	S	*	*			trans	51.8	147.3	139.5	-55.6	-5	0	0	0	121.6
621	T	32.2	Very low	31.2	Very low	118 Å²	118	136.2 Å²	136.2	72%	0.724	72%	0.724	S	S	*	*			cis	-172.5	161.6	-16.9	32.5	0	0	0	0	105.3
622	T	33.4	Very low	31.1	Very low	118 Å²	118	135 Å²	135	72%	0.724	72%	0.723	S	S	*	*			cis	-153.3	-168.6	17.1	-15.3	0	0	0	0	110.8
623	T	31.2	Very low	31	Very low	102 Å²	102	135.1 Å²	135.1	63%	0.626	72%	0.724	S	S	*	*			trans	-51.2	165.7	162.2	57.1	0	0	0	0	113.6
624	T	33.1	Very low	30.7	Very low	129 Å²	129	138 Å²	138	79%	0.791	73%	0.729	S	S	*	*			cis	-171.7	150.2	39.7	-30.5	0	0	0	0	109.1
625	D	30.2	Very low	30.4	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	73%	0.732	S	S	*	*			cis	-166.3	-156.7	-40.6	-134.1	-75	0	0	0	108.8
626	D	35.1	Very low	30	Very low	161 Å²	161	137 Å²	137	86%	0.861	74%	0.735	S	S	*	*			trans	75.1	119.6	167.1	-73.1	-36.7	0	0	0	119.8
627	N	28.2	Very low	29.5	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	74%	0.735	S	S	*	*			trans	-112.8	-168.7	-178.5	-162.8	25.6	0	0	0	108.6
628	P	36	Very low	29.2	Very low	95 Å²	95	136.6 Å²	136.6	62%	0.617	73%	0.733	S	S	*	*			cis	-117.3	159.5	-43.7	22.6	-3.7	0	0	0	113.5
629	N	29.6	Very low	28.7	Very low	161 Å²	161	135.5 Å²	135.5	86%	0.861	73%	0.73	S	S	*	*				-164.9	161.9	124.6	-128.7	-40.1	0	0	0	115.5
630	I	25.7	Very low	28.4	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	74%	0.738	S	S	*	*			trans	-95.7	120.3	-174.9	-61.6	161	0	0	0	110.5
631	N	27.2	Very low	28.1	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	73%	0.729	S	S	*	*			trans	-163.5	58.6	162.4	-164.7	15.7	0	0	0	114	N633	N631-N633 PolarHBondContact O-N 3.24Å
632	D	26.7	Very low	27.8	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	73%	0.729	S	S	*	*			trans	-77.7	63.4	176	-98.8	-55.2	0	0	0	112.8	R634	D632-R634 PolarHBondContact O-N 3.5Å; D632-R634 WeakPolarHBondContact OD1-CD 3.32Å; D632-R634 WeakPolarHBondContact OD1-CG 3.46Å; D632-R634 IonicContact OD1-NE 2.67Å; D632-R634 PolarHBondContact OD1-NE 3.38Å; D632-R634 VanDerWaalsContact OD1-NE 3.08Å
633	N	24.7	Very low	27.4	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	73%	0.734	S	S	*	*			trans	-72.6	70.3	157.9	-94.9	-18.6	0	0	0	109.2	N631 T635	N631-N633 PolarHBondContact O-N 3.24Å; N633-T635 PolarHBondContact O-N 2.84Å
634	R	25.4	Very low	27.2	Very low	203 Å²	203	137.2 Å²	137.2	77%	0.766	74%	0.735	S	S	*	*			trans	-79.6	85.1	-179.2	-92.7	-176.8	179.2	-130.8	-5	112.5	D632 I636	D632-R634 PolarHBondContact O-N 3.5Å; D632-R634 WeakPolarHBondContact OD1-CD 3.32Å; D632-R634 WeakPolarHBondContact OD1-CG 3.46Å; D632-R634 IonicContact OD1-NE 2.67Å; D632-R634 PolarHBondContact OD1-NE 3.38Å; D632-R634 VanDerWaalsContact OD1-NE 3.08Å; R634-I636 PolarHBondContact O-N 2.87Å; R634-I636 VanDerWaalsContact O-N 3.07Å
635	T	22.4	Very low	26.9	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	73%	0.725	S	S	*	*			trans	-60.6	103.4	160	-48.1	0	0	0	0	109.5	N633 Q637	N633-T635 PolarHBondContact O-N 2.84Å; T635-Q637 PolarHBondContact O-N 3.11Å
636	I	23	Very low	26.7	Very low	139 Å²	139	137.6 Å²	137.6	71%	0.713	73%	0.729	S	S	*	*			trans	-77.5	94.7	177.3	-64.9	179.6	0	0	0	109.2	R634 I638	R634-I636 PolarHBondContact O-N 2.87Å; R634-I636 VanDerWaalsContact O-N 3.07Å; I636-I638 HydrophobicContact CG2-CD1 3.65Å; I636-I638 HydrophobicContact CG2-CG1 3.69Å; I636-I638 PolarHBondContact O-N 3.29Å
637	Q	21.5	Very low	26.4	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	72%	0.721	S	S	*	*			trans	-93.4	78.5	175.9	-165.6	178.2	48.2	0	0	110.2	T635 V639	T635-Q637 PolarHBondContact O-N 3.11Å; Q637-V639 HydrophobicContact CG-CG2 4.12Å; Q637-V639 PolarHBondContact O-N 3.43Å
638	I	25.1	Very low	26.4	Very low	134 Å²	134	135.2 Å²	135.2	69%	0.687	72%	0.723	S	S	*	*			trans	-77.1	113.6	173.3	-70.6	165.5	0	0	0	109	I636	I636-I638 HydrophobicContact CG2-CD1 3.65Å; I636-I638 HydrophobicContact CG2-CG1 3.69Å; I636-I638 PolarHBondContact O-N 3.29Å
639	V	22.8	Very low	26.1	Very low	94 Å²	94	135.9 Å²	135.9	57%	0.57	73%	0.726	S	S	*	*			trans	-112.7	92	174.4	-177.5	0	0	0	0	109.1	Q637	Q637-V639 HydrophobicContact CG-CG2 4.12Å; Q637-V639 PolarHBondContact O-N 3.43Å
640	T	29.3	Very low	26.2	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	72%	0.718	S	S	*	*			trans	-112.1	149	165.1	38.7	0	0	0	0	109.5
641	N	26.5	Very low	26.3	Very low	95 Å²	95	131.9 Å²	131.9	51%	0.508	72%	0.717	S	S	.	*			trans	-124	163.1	-165.4	-67.6	-71.2	0	0	0	112.1	K662	N641-K662 PolarHBondContact OD1-NZ 3.49Å
642	N	27.1	Very low	26.4	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	72%	0.718	S	S	*	*			trans	78.2	97.7	172.5	-50.7	-17.2	0	0	0	115.2
643	L	25	Very low	26.6	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	72%	0.722	S	S	*	*			trans	-78.9	123	158.1	-174.7	74.6	0	0	0	108.5	V645	L643-V645 HydrophobicContact CD2-CG2 3.99Å; L643-V645 HydrophobicContact CG-CG2 4.24Å
644	T	26.6	Very low	26.9	Very low	105 Å²	105	131.1 Å²	131.1	64%	0.644	72%	0.721	S	S	*	*			trans	-98.8	107.6	176	-54.8	0	0	0	0	109.2
645	V	26.1	Very low	27.1	Very low	98 Å²	98	128 Å²	128	59%	0.594	72%	0.724	S	S	*	*			trans	-93.4	114.3	176.9	-172.7	0	0	0	0	109.1	L643 L647	L643-V645 HydrophobicContact CD2-CG2 3.99Å; L643-V645 HydrophobicContact CG-CG2 4.24Å; V645-L647 HydrophobicContact CG1-CD1 4.03Å
646	Q	27.2	Very low	27.3	Very low	169 Å²	169	127.5 Å²	127.5	79%	0.79	72%	0.721	S	S	*	*			trans	-109.6	96.5	-176.6	-170.9	167.8	-4.6	0	0	110.3
647	L	28.7	Very low	27.7	Very low	130 Å²	130	126.5 Å²	126.5	68%	0.681	72%	0.722	S	S	*	*			trans	-68.8	139.9	177	-79.9	78.6	0	0	0	110.8	V645 V649	V645-L647 HydrophobicContact CG1-CD1 4.03Å; L647-V649 VanDerWaalsContact C-N 3.31Å; L647-V649 PolarHBondContact O-N 3.13Å
648	P	27.5	Very low	28	Very low	132 Å²	132	124.1 Å²	124.1	86%	0.857	72%	0.719	S	S	*	*			trans	-75	81.6	174.3	31.7	-35	0	0	0	110.8
649	V	30.3	Very low	28.3	Very low	110 Å²	110	123.4 Å²	123.4	67%	0.667	72%	0.721	S	S	*	*			trans	-73.4	134.1	170.7	-175.2	0	0	0	0	109.2	L647	L647-V649 VanDerWaalsContact C-N 3.31Å; L647-V649 PolarHBondContact O-N 3.13Å
650	T	30.9	Very low	28.8	Very low	114 Å²	114	124.1 Å²	124.1	70%	0.699	72%	0.721	S	S	*	*			trans	-53.6	145.5	176.3	44.9	0	0	0	0	112	N652	T650-N652 VanDerWaalsContact C-N 3.34Å; T650-N652 PolarHBondContact O-N 3.23Å
651	P	28.2	Very low	28.8	Very low	125 Å²	125	120.3 Å²	120.3	81%	0.812	71%	0.706	S	S	*	*	S	Bend	trans	-73.9	80.7	-170.1	30.8	-37.1	0	0	0	113.1
652	N	30.6	Very low	28.9	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	72%	0.715	S	S	*	*	S	Bend	trans	-165.3	130.8	153.9	-90.9	-42.5	0	0	0	109.8	T650	T650-N652 VanDerWaalsContact C-N 3.34Å; T650-N652 PolarHBondContact O-N 3.23Å
653	N	30.5	Very low	29	Very low	146 Å²	146	125.2 Å²	125.2	78%	0.781	73%	0.725	S	S	*	*	S	Bend	trans	75.2	116.7	173.7	-52.7	-28.8	0	0	0	118.6
654	S	30.1	Very low	29.2	Very low	102 Å²	102	120.9 Å²	120.9	71%	0.713	71%	0.708	S	S	*	*			trans	40.8	100.5	152.2	57.4	0	0	0	0	119.4	T656	S654-T656 PolarHBondContact O-N 3.48Å
655	T	28.9	Very low	29	Very low	137 Å²	137	122.5 Å²	122.5	84%	0.84	72%	0.718	S	S	*	*			trans	-60.4	124.9	160.3	22.2	0	0	0	0	111.4
656	T	28	Very low	29.1	Very low	121 Å²	121	122.5 Å²	122.5	74%	0.742	72%	0.718	S	S	*	*			trans	-118.6	108.5	173.4	-33.7	0	0	0	0	108.7	S654 T658	S654-T656 PolarHBondContact O-N 3.48Å; T656-T658 PolarHBondContact O-N 3Å
657	T	30.3	Very low	29.1	Very low	119 Å²	119	120 Å²	120	73%	0.73	72%	0.719	S	S	*	*			trans	-84.5	111.1	-176.5	-48.2	0	0	0	0	110.9
658	T	29.4	Very low	29.2	Very low	121 Å²	121	118.6 Å²	118.6	74%	0.742	71%	0.711	S	S	*	*			trans	-103	112.6	179.3	-12.3	0	0	0	0	111.1	T656 I660	T656-T658 PolarHBondContact O-N 3Å; T658-I660 PolarHBondContact O-N 3.35Å
659	T	31.1	Very low	29.3	Very low	118 Å²	118	117.6 Å²	117.6	72%	0.724	70%	0.704	S	S	*	*			trans	-79	113.3	174.2	27.5	0	0	0	0	111.1
660	I	33.3	Very low	29.2	Very low	109 Å²	109	119.7 Å²	119.7	56%	0.559	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-87.1	128.8	178.3	-62.5	179.6	0	0	0	109.7	T658 S664 V666	T658-I660 PolarHBondContact O-N 3.35Å; I660-S664 WeakPolarHBondContact CG2-OG 3.47Å; I660-V666 HydrophobicContact CD1-CG2 4.47Å
661	G	29.5	Very low	29.1	Very low	45 Å²	45	122 Å²	122	46%	0.464	72%	0.72	S	S	.	*	P	Polyproline II helix	trans	-75.2	150.3	-177.6	0	0	0	0	0	113.5	N663 S664	G661-N663 PolarHBondContact O-N 3.21Å; G661-S664 WeakPolarHBondContact O-CB 3.32Å; G661-S664 PolarHBondContact O-N 2.87Å; G661-S664 VanDerWaalsContact O-N 3.15Å; G661-S664 PolarHBondContact O-OG 3.24Å
662	K	28.3	Very low	29.3	Very low	161 Å²	161	123.1 Å²	123.1	70%	0.7	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	134.3	169.2	-61.9	178.5	-176	176.7	0	109.4	N641	N641-K662 PolarHBondContact OD1-NZ 3.49Å
663	N	29	Very low	29.2	Very low	170 Å²	170	121.4 Å²	121.4	91%	0.909	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.4	13.6	-172.5	-46	-8.8	0	0	0	116.7	G661	G661-N663 PolarHBondContact O-N 3.21Å
664	S	27.8	Very low	29	Very low	67 Å²	67	120.1 Å²	120.1	47%	0.469	72%	0.717	S	S	.	*			trans	-85.3	116.9	172.5	-50.5	0	0	0	0	112	I660 G661	I660-S664 WeakPolarHBondContact CG2-OG 3.47Å; G661-S664 WeakPolarHBondContact O-CB 3.32Å; G661-S664 PolarHBondContact O-N 2.87Å; G661-S664 VanDerWaalsContact O-N 3.15Å; G661-S664 PolarHBondContact O-OG 3.24Å
665	T	24.2	Very low	28.8	Very low	140 Å²	140	123.1 Å²	123.1	86%	0.859	72%	0.724	S	S	*	*			trans	-82.4	123.6	173.1	-44.8	0	0	0	0	110.7
666	V	27.3	Very low	28.7	Very low	98 Å²	98	122.8 Å²	122.8	59%	0.594	72%	0.716	S	S	*	*			trans	-107.4	120.5	172.6	-179.6	0	0	0	0	109	I660 I668	I660-V666 HydrophobicContact CD1-CG2 4.47Å; V666-I668 HydrophobicContact CG1-CG1 4.34Å
667	S	27.3	Very low	28.7	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-98.5	125.8	170	39.9	0	0	0	0	110.1
668	I	30.5	Very low	28.4	Very low	102 Å²	102	124.4 Å²	124.4	52%	0.523	71%	0.714	S	S	.	*	P	Polyproline II helix	trans	-103.8	130.1	175.6	-56.1	177.9	0	0	0	107.3	V666 L674	V666-I668 HydrophobicContact CG1-CG1 4.34Å; I668-L674 HydrophobicContact CD1-CD1 3.64Å
669	P	29.1	Very low	28.4	Very low	110 Å²	110	123.1 Å²	123.1	71%	0.714	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-71.2	149.2	174.4	30.7	-34.5	0	0	0	111.2	N671	P669-N671 PolarHBondContact O-N 3.06Å; P669-N671 VanDerWaalsContact O-N 3.13Å
670	D	28.2	Very low	28.2	Very low	155 Å²	155	123.2 Å²	123.2	83%	0.829	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	113.7	-173.6	-55.2	-73.4	0	0	0	112.9
671	N	30.6	Very low	28.1	Very low	162 Å²	162	122.5 Å²	122.5	87%	0.866	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	165	-17.9	134.3	-88.7	-61.7	0	0	0	113.6	P669	P669-N671 PolarHBondContact O-N 3.06Å; P669-N671 VanDerWaalsContact O-N 3.13Å
672	D	31.3	Very low	28.2	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	74%	0.735	S	S	*	*			trans	-86.3	128.2	-175.1	-73.4	-39.7	0	0	0	113.5
673	A	27.8	Very low	28.2	Very low	102 Å²	102	126.3 Å²	126.3	84%	0.843	74%	0.737	S	S	*	*			trans	-81.4	119.2	-179.2	0	0	0	0	0	112.1
674	L	27.1	Very low	28.4	Very low	120 Å²	120	126.1 Å²	126.1	63%	0.628	74%	0.736	S	S	*	*			trans	-86.8	113.9	-177.8	-165.2	151.1	0	0	0	111.2	I668 I676	I668-L674 HydrophobicContact CD1-CD1 3.64Å; L674-I676 HydrophobicContact CD2-CD1 4.19Å; L674-I676 HydrophobicContact CD2-CG1 3.52Å
675	L	26.9	Very low	28.4	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	75%	0.753	S	S	*	*			trans	-91.4	111.9	-177.1	-149	138.2	0	0	0	110.1
676	I	26.7	Very low	28.6	Very low	131 Å²	131	130.7 Å²	130.7	67%	0.672	74%	0.744	S	S	*	*			trans	-97	110.3	178.2	-54.7	178.6	0	0	0	108.7	L674 I678	L674-I676 HydrophobicContact CD2-CD1 4.19Å; L674-I676 HydrophobicContact CD2-CG1 3.52Å; I676-I678 HydrophobicContact CG2-CD1 4.47Å; I676-I678 HydrophobicContact CG2-CG1 3.91Å
677	D	26.5	Very low	28.6	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	75%	0.747	S	S	*	*			trans	-92.9	109.6	174.4	-169.7	6.6	0	0	0	110.5	S679	D677-S679 PolarHBondContact O-N 3.45Å
678	I	25.3	Very low	28.6	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	74%	0.744	S	S	*	*			trans	-95.5	78.2	-178.2	-51.7	-179.9	0	0	0	108.8	I676 T680	I676-I678 HydrophobicContact CG2-CD1 4.47Å; I676-I678 HydrophobicContact CG2-CG1 3.91Å; I678-T680 PolarHBondContact O-N 2.99Å
679	S	27.6	Very low	28.4	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	76%	0.756	S	S	*	*			trans	-79.3	101.1	173.2	42.6	0	0	0	0	110.8	D677 S681	D677-S679 PolarHBondContact O-N 3.45Å; S679-S681 PolarHBondContact O-N 3.2Å; S679-S681 VanDerWaalsContact O-N 3.09Å
680	T	28.5	Very low	28.3	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	76%	0.762	S	S	*	*			trans	-72.4	98.3	173.1	51.8	0	0	0	0	110.2	I678 D682	I678-T680 PolarHBondContact O-N 2.99Å; T680-D682 PolarHBondContact O-N 3.31Å
681	S	29.9	Very low	28.2	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	75%	0.752	S	S	*	*			trans	-84.9	92	177.4	61.2	0	0	0	0	111.6	S679 T683	S679-S681 PolarHBondContact O-N 3.2Å; S679-S681 VanDerWaalsContact O-N 3.09Å; S681-T683 VanDerWaalsContact C-N 3.32Å; S681-T683 PolarHBondContact O-N 3.4Å
682	D	31.8	Very low	28.3	Very low	164 Å²	164	136.6 Å²	136.6	88%	0.877	75%	0.754	S	S	*	*			trans	-69.9	89	167.6	-72.8	-24.7	0	0	0	109.7	T680	T680-D682 PolarHBondContact O-N 3.31Å
683	T	28	Very low	28.1	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	75%	0.748	S	S	*	*			trans	-96.4	88.4	172.7	55	0	0	0	0	110.4	S681	S681-T683 VanDerWaalsContact C-N 3.32Å; S681-T683 PolarHBondContact O-N 3.4Å
684	D	33.4	Very low	28.1	Very low	166 Å²	166	138.8 Å²	138.8	89%	0.888	74%	0.744	S	S	*	*			trans	-117.5	113.5	163.9	-99.2	-35	0	0	0	110.1
685	E	27.5	Very low	28.1	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	76%	0.759	S	S	*	*			trans	-75	128.5	165.1	-60	-178.7	126.5	0	0	108.5
686	N	29.3	Very low	28	Very low	128 Å²	128	146 Å²	146	68%	0.684	76%	0.757	S	S	*	*				167.4	137.4	113.7	-90.6	-66.1	0	0	0	116.1
687	H	26.6	Very low	27.9	Very low	142 Å²	142	147.9 Å²	147.9	66%	0.657	77%	0.767	S	S	*	*			trans	71.1	128	141.9	-81.7	-65.7	0	0	0	124.8
688	F	28.5	Very low	27.9	Very low	170 Å²	170	147 Å²	147	75%	0.746	77%	0.766	S	S	*	*			trans	76.8	82	151	-62.4	-58.3	0	0	0	122.9
689	I	25.3	Very low	27.9	Very low	151 Å²	151	145.8 Å²	145.8	77%	0.774	77%	0.77	S	S	*	*				12	122.6	120.5	-55	164.2	0	0	0	117.4
690	S	28	Very low	27.9	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	77%	0.774	S	S	*	*				-143.1	153.8	126	-167.4	0	0	0	0	110.1
691	N	26.2	Very low	27.8	Very low	116 Å²	116	151.1 Å²	151.1	62%	0.62	78%	0.783	S	S	*	*			trans	-85.2	154.6	175.9	-64.2	-92.9	0	0	0	110.1
692	D	32.1	Very low	27.7	Very low	168 Å²	168	152.3 Å²	152.3	90%	0.898	79%	0.792	S	S	*	*				-140.3	154.8	119.3	-130.5	-33.6	0	0	0	111.6
693	K	27.7	Very low	27.4	Very low	155 Å²	155	151.2 Å²	151.2	67%	0.674	79%	0.791	S	S	*	*			trans	-115.5	134.8	-166.9	-67.1	174.6	-179.3	172.5	0	112.1
694	N	27	Very low	27.4	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	79%	0.789	S	S	*	*			trans	161.6	-166.2	134.6	-80.3	-30.8	0	0	0	109.8
695	W	26.8	Very low	27.1	Very low	248 Å²	248	150.2 Å²	150.2	94%	0.939	79%	0.789	S	S	*	*			trans	73	40.9	175.9	-54.2	91.7	0	0	0	117.4
696	F	24.3	Very low	27.2	Very low	188 Å²	188	147.1 Å²	147.1	83%	0.825	78%	0.781	S	S	*	*			trans	-126.7	115.8	147.8	-80.4	-79.5	0	0	0	110.3
697	I	26.3	Very low	27.1	Very low	170 Å²	170	149.2 Å²	149.2	87%	0.872	79%	0.792	S	S	*	*			trans	-118.5	100.1	160.5	-62.5	179.9	0	0	0	106.3
698	T	26.6	Very low	27.4	Very low	115 Å²	115	145.5 Å²	145.5	71%	0.706	78%	0.779	S	S	*	*			trans	-93	114.3	176.5	40	0	0	0	0	110.1
699	S	25.1	Very low	27.7	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	77%	0.765	S	S	*	*			trans	-67.9	128.6	165.4	-68.9	0	0	0	0	109.5
700	P	27.8	Very low	28.2	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	76%	0.762	S	S	*	*			trans	-78.8	157.7	-177	31.7	-35.6	0	0	0	112.6
701	K	26	Very low	28.5	Very low	210 Å²	210	141.6 Å²	141.6	91%	0.913	75%	0.75	S	S	*	*			trans	77.3	81.9	174	-53.9	177.6	178.8	177.6	0	117.3
702	S	28.2	Very low	28.9	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	74%	0.744	S	S	*	*				-152.3	140.1	120.3	-166.3	0	0	0	0	109.9
703	T	24.4	Very low	28.8	Very low	141 Å²	141	138.1 Å²	138.1	87%	0.865	73%	0.725	S	S	*	*			trans	-95.8	103.9	-174.2	47.2	0	0	0	0	111.3
704	S	29.2	Very low	29.1	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	72%	0.722	S	S	*	*			trans	-150.8	98.2	167	-169	0	0	0	0	109.7	V706	S704-V706 PolarHBondContact O-N 3.48Å
705	N	25.8	Very low	29.5	Very low	167 Å²	167	133 Å²	133	89%	0.893	70%	0.702	S	S	*	*			trans	-83.2	98.2	179.1	-72.2	-5.5	0	0	0	109.7
706	V	30.6	Very low	29.9	Very low	108 Å²	108	125.6 Å²	125.6	66%	0.655	68%	0.68	S	S	*	*			trans	-120.3	110.9	162.6	-179.2	0	0	0	0	107.5	S704 V708	S704-V706 PolarHBondContact O-N 3.48Å; V706-V708 HydrophobicContact CG1-CG2 4.32Å; V706-V708 PolarHBondContact O-N 3.38Å; V706-V708 VanDerWaalsContact O-N 3.12Å
707	L	27.5	Very low	30.1	Very low	172 Å²	172	123.9 Å²	123.9	90%	0.901	67%	0.672	S	S	*	*			trans	-71.7	101.6	166.1	-101.4	71.2	0	0	0	107.7
708	V	31.7	Very low	30.6	Very low	64 Å²	64	124 Å²	124	39%	0.388	66%	0.662	S	S	.	*			trans	-77	131.3	162.9	177.2	0	0	0	0	107.2	V706 E712 Q713	V706-V708 HydrophobicContact CG1-CG2 4.32Å; V706-V708 PolarHBondContact O-N 3.38Å; V706-V708 VanDerWaalsContact O-N 3.12Å; V708-E712 HydrophobicContact CG1-CB 3.8Å; V708-E712 WeakPolarHBondContact CG1-OE2 3.18Å; V708-Q713 HydrophobicContact CG1-CG 3.84Å
709	D	35.5	Very low	31.2	Very low	84 Å²	84	121.1 Å²	121.1	45%	0.449	64%	0.641	S	S	.	*			trans	-69.7	151.6	-175.5	-175.9	34.6	0	0	0	111.7	N711 E712 Q713	D709-N711 PolarHBondContact O-N 3.26Å; D709-N711 VanDerWaalsContact O-N 3.09Å; D709-N711 WeakPolarHBondContact OD2-CB 3.18Å; D709-N711 PolarHBondContact OD2-N 3.22Å; D709-N711 PolarHBondContact OD2-ND2 2.76Å; D709-E712 HydrophobicContact CB-CG 4.5Å; D709-E712 PolarHBondContact N-OE2 2.96Å; D709-E712 PolarHBondContact O-N 3.18Å; D709-E712 VanDerWaalsContact O-N 3.12Å; D709-Q713 PolarHBondContact O-N 3.25Å
710	K	34.7	Very low	31.6	Very low	167 Å²	167	121.1 Å²	121.1	73%	0.726	63%	0.629	S	S	*	*	H	α-helix	trans	-61.1	-18.6	178.2	-73.1	-179.1	177.6	174.7	0	112.8	K714	K710-K714 WeakPolarHBondContact O-CG 3.46Å
711	N	34.2	Very low	31.9	Very low	107 Å²	107	120.8 Å²	120.8	57%	0.572	62%	0.62	S	S	*	*	H	α-helix	trans	-81.9	-41.6	173.8	-63.3	-49.3	0	0	0	112.6	D709 Q713 K714 S715	D709-N711 PolarHBondContact O-N 3.26Å; D709-N711 VanDerWaalsContact O-N 3.09Å; D709-N711 WeakPolarHBondContact OD2-CB 3.18Å; D709-N711 PolarHBondContact OD2-N 3.22Å; D709-N711 PolarHBondContact OD2-ND2 2.76Å; N711-Q713 VanDerWaalsContact C-N 3.34Å; N711-Q713 PolarHBondContact O-N 3.12Å; N711-K714 PolarHBondContact O-N 3.01Å; N711-K714 VanDerWaalsContact O-N 3.16Å; N711-S715 PolarHBondContact O-N 3.12Å
712	E	36.2	Very low	32.8	Very low	107 Å²	107	114.3 Å²	114.3	50%	0.5	60%	0.595	S	S	.	*	H	α-helix	trans	-59.1	-44.8	176.7	-68.5	-178.3	112.2	0	0	111.3	V708 D709 K714 S715 I716	V708-E712 HydrophobicContact CG1-CB 3.8Å; V708-E712 WeakPolarHBondContact CG1-OE2 3.18Å; D709-E712 HydrophobicContact CB-CG 4.5Å; D709-E712 PolarHBondContact N-OE2 2.96Å; D709-E712 PolarHBondContact O-N 3.18Å; D709-E712 VanDerWaalsContact O-N 3.12Å; E712-K714 VanDerWaalsContact C-N 3.3Å; E712-K714 PolarHBondContact O-N 3.14Å; E712-S715 WeakPolarHBondContact O-CB 3.46Å; E712-S715 PolarHBondContact O-N 2.94Å; E712-I716 WeakPolarHBondContact O-CG1 3.49Å; E712-I716 PolarHBondContact O-N 3.04Å
713	Q	30.1	Very low	33.2	Very low	104 Å²	104	115.1 Å²	115.1	49%	0.486	59%	0.585	S	S	.	*	H	α-helix	trans	-59.9	-39.2	177.6	-63.6	-171.3	2.3	0	0	112.3	V708 D709 N711 S715 F717	V708-Q713 HydrophobicContact CG1-CG 3.84Å; D709-Q713 PolarHBondContact O-N 3.25Å; N711-Q713 VanDerWaalsContact C-N 3.34Å; N711-Q713 PolarHBondContact O-N 3.12Å; Q713-S715 VanDerWaalsContact C-N 3.33Å; Q713-S715 PolarHBondContact O-N 2.9Å; Q713-F717 WeakPolarHBondContact O-CD2 3.47Å; Q713-F717 PolarHBondContact O-N 3.24Å; Q713-F717 VanDerWaalsContact O-N 3.13Å
714	K	33.2	Very low	33.9	Very low	140 Å²	140	114.2 Å²	114.2	61%	0.609	58%	0.58	S	S	*	*	H	α-helix	trans	-68.3	-30	175.6	-74.6	175.5	179.5	173.9	0	112.9	K710 N711 E712 R718	K710-K714 WeakPolarHBondContact O-CG 3.46Å; N711-K714 PolarHBondContact O-N 3.01Å; N711-K714 VanDerWaalsContact O-N 3.16Å; E712-K714 VanDerWaalsContact C-N 3.3Å; E712-K714 PolarHBondContact O-N 3.14Å; K714-R718 WeakPolarHBondContact O-CG 3.45Å; K714-R718 PolarHBondContact O-N 3.44Å
715	S	36.2	Very low	34.1	Very low	51 Å²	51	117.4 Å²	117.4	36%	0.357	59%	0.588	S	S	.	*	H	α-helix	trans	-70.3	-52	174.1	-167.6	0	0	0	0	110.9	N711 E712 Q713 F717 R718 I719	N711-S715 PolarHBondContact O-N 3.12Å; E712-S715 WeakPolarHBondContact O-CB 3.46Å; E712-S715 PolarHBondContact O-N 2.94Å; Q713-S715 VanDerWaalsContact C-N 3.33Å; Q713-S715 PolarHBondContact O-N 2.9Å; S715-F717 PolarHBondContact O-N 3.35Å; S715-R718 WeakPolarHBondContact O-CB 3.45Å; S715-R718 PolarHBondContact O-N 3.18Å; S715-I719 WeakPolarHBondContact O-CG1 3.34Å; S715-I719 PolarHBondContact O-N 2.99Å
716	I	33.6	Very low	34.5	Very low	92 Å²	92	114.9 Å²	114.9	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-57.2	-45.7	-178.9	-65.1	163.4	0	0	0	111.6	E712 R718 I719 Q720	E712-I716 WeakPolarHBondContact O-CG1 3.49Å; E712-I716 PolarHBondContact O-N 3.04Å; I716-R718 VanDerWaalsContact C-N 3.28Å; I716-R718 PolarHBondContact O-N 3.49Å; I716-I719 PolarHBondContact O-N 2.89Å; I716-Q720 PolarHBondContact O-N 3.43Å
717	F	30.5	Very low	34.7	Very low	152 Å²	152	115.3 Å²	115.3	67%	0.667	57%	0.568	S	S	*	*	H	α-helix	trans	-63.7	-29.4	176.8	-95	-78.3	0	0	0	113.6	Q713 S715 L721	Q713-F717 WeakPolarHBondContact O-CD2 3.47Å; Q713-F717 PolarHBondContact O-N 3.24Å; Q713-F717 VanDerWaalsContact O-N 3.13Å; S715-F717 PolarHBondContact O-N 3.35Å; F717-L721 WeakPolarHBondContact O-CB 3.4Å; F717-L721 PolarHBondContact O-N 3.08Å
718	R	35.6	Very low	35.1	Very low	174 Å²	174	112.1 Å²	112.1	66%	0.657	55%	0.55	S	S	*	.	H	α-helix	trans	-76.6	-41.5	175	-76.5	178.3	172.4	-147.6	-2.5	112.1	K714 S715 I716 L721 I722	K714-R718 WeakPolarHBondContact O-CG 3.45Å; K714-R718 PolarHBondContact O-N 3.44Å; S715-R718 WeakPolarHBondContact O-CB 3.45Å; S715-R718 PolarHBondContact O-N 3.18Å; I716-R718 VanDerWaalsContact C-N 3.28Å; I716-R718 PolarHBondContact O-N 3.49Å; R718-L721 PolarHBondContact O-N 3.49Å; R718-I722 WeakPolarHBondContact O-CG1 3.3Å; R718-I722 PolarHBondContact O-N 3.44Å
719	I	38.9	Very low	35.3	Very low	53 Å²	53	114.9 Å²	114.9	27%	0.272	56%	0.559	S	S	.	*	H	α-helix	trans	-62.4	-45.9	177.5	-65.3	166.4	0	0	0	109.9	S715 I716 L721 I722 E723	S715-I719 WeakPolarHBondContact O-CG1 3.34Å; S715-I719 PolarHBondContact O-N 2.99Å; I716-I719 PolarHBondContact O-N 2.89Å; I719-L721 VanDerWaalsContact C-N 3.31Å; I719-L721 PolarHBondContact O-N 3.12Å; I719-I722 PolarHBondContact O-N 3.28Å; I719-I722 VanDerWaalsContact O-N 3.17Å; I719-E723 PolarHBondContact O-N 3.5Å
720	Q	33.1	Very low	35.3	Very low	115 Å²	115	116.9 Å²	116.9	54%	0.537	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-34.7	175.1	-77	-169.9	-42.6	0	0	113.2	I716 I722 E723 T724	I716-Q720 PolarHBondContact O-N 3.43Å; Q720-I722 VanDerWaalsContact C-N 3.32Å; Q720-I722 PolarHBondContact O-N 3.03Å; Q720-E723 PolarHBondContact O-N 3.49Å; Q720-T724 VanDerWaalsContact O-CB 3.31Å; Q720-T724 WeakPolarHBondContact O-CB 3.46Å; Q720-T724 PolarHBondContact O-N 3.38Å; Q720-T724 PolarHBondContact O-OG1 3.33Å
721	L	35.5	Very low	35.3	Very low	107 Å²	107	113.5 Å²	113.5	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-66.4	-36.3	176.2	-161.5	77.4	0	0	0	111.5	F717 R718 I719 T724 L725	F717-L721 WeakPolarHBondContact O-CB 3.4Å; F717-L721 PolarHBondContact O-N 3.08Å; R718-L721 PolarHBondContact O-N 3.49Å; I719-L721 VanDerWaalsContact C-N 3.31Å; I719-L721 PolarHBondContact O-N 3.12Å; L721-T724 PolarHBondContact O-N 3.35Å; L721-L725 HydrophobicContact CD2-CD1 4.28Å; L721-L725 HydrophobicContact CG-CD1 3.92Å; L721-L725 HydrophobicContact CG-CG 4.48Å; L721-L725 WeakPolarHBondContact O-CB 3.46Å; L721-L725 WeakPolarHBondContact O-CG 3.5Å; L721-L725 PolarHBondContact O-N 2.93Å; L721-L725 VanDerWaalsContact O-N 3.14Å
722	I	44.1	Very low	35.4	Very low	74 Å²	74	114 Å²	114	38%	0.379	55%	0.554	S	S	.	*	H	α-helix	trans	-76.7	-22.5	178.9	-66.9	164.8	0	0	0	112.5	R718 I719 Q720	R718-I722 WeakPolarHBondContact O-CG1 3.3Å; R718-I722 PolarHBondContact O-N 3.44Å; I719-I722 PolarHBondContact O-N 3.28Å; I719-I722 VanDerWaalsContact O-N 3.17Å; Q720-I722 VanDerWaalsContact C-N 3.32Å; Q720-I722 PolarHBondContact O-N 3.03Å
723	E	36.8	Very low	35.4	Very low	139 Å²	139	114.5 Å²	114.5	65%	0.65	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-0.1	172.2	-67.5	-172.2	166.1	0	0	113.9	I719 Q720	I719-E723 PolarHBondContact O-N 3.5Å; Q720-E723 PolarHBondContact O-N 3.49Å
724	T	38.4	Very low	35.8	Very low	121 Å²	121	115.4 Å²	115.4	74%	0.742	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-16.3	-179	-51.3	0	0	0	0	113.4	Q720 L721	Q720-T724 VanDerWaalsContact O-CB 3.31Å; Q720-T724 WeakPolarHBondContact O-CB 3.46Å; Q720-T724 PolarHBondContact O-N 3.38Å; Q720-T724 PolarHBondContact O-OG1 3.33Å; L721-T724 PolarHBondContact O-N 3.35Å
725	L	33.7	Very low	36	Very low	167 Å²	167	113.2 Å²	113.2	87%	0.874	56%	0.561	S	S	*	*			trans	-91.6	0	171.2	-72.3	172.3	0	0	0	110.9	L721	L721-L725 HydrophobicContact CD2-CD1 4.28Å; L721-L725 HydrophobicContact CG-CD1 3.92Å; L721-L725 HydrophobicContact CG-CG 4.48Å; L721-L725 WeakPolarHBondContact O-CB 3.46Å; L721-L725 WeakPolarHBondContact O-CG 3.5Å; L721-L725 PolarHBondContact O-N 2.93Å; L721-L725 VanDerWaalsContact O-N 3.14Å

Retrieved 725 of 725 residues in 944.5 ms (Link to these results)

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