A0A3Q0KSG6_SCHMA Loading...

WW domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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	41.1	Very low	78	Confident	235 Å²	235	97.4 Å²	97.4	100%	1.158	54%	0.541	S	S	*	.				0	133.4	0	-61	173.7	77.3	0	0	106.2
2	S	50.4	Low	79.4	Confident	107 Å²	107	96.3 Å²	96.3	75%	0.748	54%	0.541	S	S	*	.			trans	-70.2	134.5	172	-56.6	0	0	0	0	108.6	D4	S2-D4 PolarHBondContact O-N 2.69Å
3	S	64.3	Low	80.7	Confident	71 Å²	71	95.2 Å²	95.2	50%	0.497	53%	0.534	S	S	.	.			trans	-78.3	104.5	171.9	-61.6	0	0	0	0	108.3	Y5 S6	S3-Y5 PolarHBondContact O-N 3.33Å; S3-S6 WeakPolarHBondContact O-CB 3.47Å; S3-S6 PolarHBondContact O-N 2.9Å; S3-S6 PolarHBondContact O-OG 2.82Å
4	D	73.8	Confident	81.9	Confident	118 Å²	118	92.9 Å²	92.9	63%	0.631	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	3.1	179.1	-57.1	-34.2	0	0	0	114.2	S2 K8	S2-D4 PolarHBondContact O-N 2.69Å; D4-K8 WeakPolarHBondContact O-CE 3.41Å; D4-K8 PolarHBondContact O-NZ 3.16Å
5	Y	82.7	Confident	82.8	Confident	81 Å²	81	90.8 Å²	90.8	32%	0.318	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-19.4	170.6	-59.7	-82.6	0	0	0	112.8	S3 D7 K8 R41 P42 Y45	S3-Y5 PolarHBondContact O-N 3.33Å; Y5-D7 VanDerWaalsContact C-N 3.28Å; Y5-D7 PolarHBondContact O-N 3.25Å; Y5-K8 HydrophobicContact CD1-CD 4.02Å; Y5-K8 WeakPolarHBondContact O-CA 3.37Å; Y5-K8 WeakPolarHBondContact O-CB 3.47Å; Y5-K8 PolarHBondContact O-N 2.79Å; Y5-K8 VanDerWaalsContact O-O 3.14Å; Y5-R41 HydrophobicContact CD1-CB 4.09Å; Y5-R41 HydrophobicContact CG-CB 4.39Å; Y5-R41 WeakPolarHBondContact O-CD 3.4Å; Y5-R41 PolarHBondContact O-NE 2.77Å; Y5-R41 PolarHBondContact O-NH1 3.18Å; Y5-P42 HydrophobicContact CD1-CB 4.43Å; Y5-P42 HydrophobicContact CD1-CG 4.06Å; Y5-P42 HydrophobicContact CD2-CG 3.8Å; Y5-P42 HydrophobicContact CE1-CB 4.04Å; Y5-P42 HydrophobicContact CE1-CG 4.14Å; Y5-P42 HydrophobicContact CE2-CB 4.14Å; Y5-P42 HydrophobicContact CE2-CG 3.87Å; Y5-P42 HydrophobicContact CG-CG 3.9Å; Y5-Y45 HydrophobicContact CD1-CD2 4.33Å
6	S	84.2	Confident	83.6	Confident	73 Å²	73	87.8 Å²	87.8	51%	0.51	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.9	179.4	-69.2	0	0	0	0	112.8	S3 K8 R41	S3-S6 WeakPolarHBondContact O-CB 3.47Å; S3-S6 PolarHBondContact O-N 2.9Å; S3-S6 PolarHBondContact O-OG 2.82Å; S6-K8 PolarHBondContact O-N 3.2Å; S6-R41 PolarHBondContact O-NH1 2.93Å
7	D	87.1	Confident	84.3	Confident	156 Å²	156	89.6 Å²	89.6	83%	0.834	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.6	178.1	-54.4	-34.1	0	0	0	113.2	Y5	Y5-D7 VanDerWaalsContact C-N 3.28Å; Y5-D7 PolarHBondContact O-N 3.25Å
8	K	90.5	Very high	85	Confident	82 Å²	82	90.3 Å²	90.3	36%	0.357	49%	0.486	S	S	.	.	S	Bend	trans	-95.7	140.3	176	-48	-171.3	-160.9	-39.3	0	109.3	D4 Y5 S6 R41 Y45	D4-K8 WeakPolarHBondContact O-CE 3.41Å; D4-K8 PolarHBondContact O-NZ 3.16Å; Y5-K8 HydrophobicContact CD1-CD 4.02Å; Y5-K8 WeakPolarHBondContact O-CA 3.37Å; Y5-K8 WeakPolarHBondContact O-CB 3.47Å; Y5-K8 PolarHBondContact O-N 2.79Å; Y5-K8 VanDerWaalsContact O-O 3.14Å; S6-K8 PolarHBondContact O-N 3.2Å; K8-R41 VanDerWaalsContact O-CD 3.28Å; K8-R41 WeakPolarHBondContact O-CD 3.25Å; K8-R41 PolarHBondContact O-NH1 3.07Å; K8-Y45 HydrophobicContact CB-CD2 4.32Å; K8-Y45 HydrophobicContact CB-CE2 3.55Å; K8-Y45 HydrophobicContact CD-CD2 3.77Å; K8-Y45 HydrophobicContact CD-CE2 3.83Å; K8-Y45 HydrophobicContact CD-CG 4.4Å; K8-Y45 HydrophobicContact CG-CE2 4.33Å
9	P	94.1	Very high	85.5	Confident	93 Å²	93	87.6 Å²	87.6	60%	0.604	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-61.5	160.2	176.6	23.3	-29.4	0	0	0	111.5	R41 Y45	P9-R41 VanDerWaalsContact O-CD 3.3Å; P9-R41 WeakPolarHBondContact O-CD 3.25Å; P9-Y45 WeakPolarHBondContact CD-OH 3.28Å; P9-Y45 WeakPolarHBondContact CG-OH 3.41Å; P9-Y45 PolarHBondContact O-OH 3.43Å
10	L	94.4	Very high	86	Confident	49 Å²	49	89.2 Å²	89.2	26%	0.257	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-68.5	154.9	171.7	-73.6	153.5	0	0	0	110.4	W14 Y27 P40 R41	L10-W14 HydrophobicContact CB-CB 4.31Å; L10-W14 HydrophobicContact CD2-CB 4.42Å; L10-Y27 HydrophobicContact CD2-CD1 3.78Å; L10-Y27 HydrophobicContact CD2-CE1 4.01Å; L10-P40 HydrophobicContact CD2-CG 4.25Å; L10-R41 HydrophobicContact CD2-CG 4.47Å
11	P	95.1	Very high	86.5	Confident	6 Å²	6	92.8 Å²	92.8	4%	0.039	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-62.2	159.4	171.2	-20.4	34.5	0	0	0	111.7	N13 W14 P40 Y44	P11-N13 PolarHBondContact O-N 2.89Å; P11-W14 HydrophobicContact CB-CG 4.38Å; P11-W14 HydrophobicContact CG-CG 4.48Å; P11-W14 PolarHBondContact O-N 3.21Å; P11-W14 VanDerWaalsContact O-N 3.12Å; P11-P40 HydrophobicContact CG-CB 4.08Å; P11-P40 HydrophobicContact CG-CG 4.09Å; P11-Y44 HydrophobicContact CB-CD1 3.71Å; P11-Y44 HydrophobicContact CB-CD2 3.76Å; P11-Y44 HydrophobicContact CB-CE1 3.99Å; P11-Y44 HydrophobicContact CB-CE2 4.05Å; P11-Y44 HydrophobicContact CB-CG 3.58Å; P11-Y44 HydrophobicContact CG-CD1 3.71Å; P11-Y44 HydrophobicContact CG-CD2 4.19Å; P11-Y44 HydrophobicContact CG-CE1 4.44Å; P11-Y44 HydrophobicContact CG-CG 3.56Å
12	P	95.1	Very high	89	Confident	84 Å²	84	84.4 Å²	84.4	55%	0.545	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	141.2	170.1	-24.5	34.3	0	0	0	111.2	W14 Y44	P12-W14 VanDerWaalsContact C-N 3.25Å; P12-W14 PolarHBondContact O-N 2.8Å; P12-Y44 VanDerWaalsContact CD-CZ 3.43Å; P12-Y44 WeakPolarHBondContact CD-OH 3.18Å
13	N	96.5	Very high	91.2	Very high	82 Å²	82	81.7 Å²	81.7	44%	0.439	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	9.3	-176.5	-52.4	-28.2	0	0	0	116.2	P11 H30 E31	P11-N13 PolarHBondContact O-N 2.89Å; N13-H30 WeakPolarHBondContact O-CB 3.07Å; N13-H30 PolarHBondContact O-CD2 3.28Å; N13-H30 VanDerWaalsContact O-CD2 3.23Å; N13-H30 PolarHBondContact O-N 2.59Å; N13-E31 HydrophobicContact CB-CB 4.07Å; N13-E31 PolarHBondContact ND2-OE2 3.11Å
14	W	97.2	Very high	92.6	Very high	64 Å²	64	83.2 Å²	83.2	24%	0.242	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.6	175.6	-70.7	78.9	0	0	0	114.5	L10 P11 P12 I28 N29 P40	L10-W14 HydrophobicContact CB-CB 4.31Å; L10-W14 HydrophobicContact CD2-CB 4.42Å; P11-W14 HydrophobicContact CB-CG 4.38Å; P11-W14 HydrophobicContact CG-CG 4.48Å; P11-W14 PolarHBondContact O-N 3.21Å; P11-W14 VanDerWaalsContact O-N 3.12Å; P12-W14 VanDerWaalsContact C-N 3.25Å; P12-W14 PolarHBondContact O-N 2.8Å; W14-I28 VanDerWaalsContact CA-O 3.27Å; W14-I28 WeakPolarHBondContact CA-O 3.33Å; W14-N29 HydrophobicContact CD2-CB 3.99Å; W14-N29 HydrophobicContact CE3-CB 4.04Å; W14-N29 HydrophobicContact CH2-CB 3.88Å; W14-N29 HydrophobicContact CZ2-CB 3.75Å; W14-N29 HydrophobicContact CZ3-CB 4Å; W14-P40 HydrophobicContact CB-CG 4.33Å; W14-P40 HydrophobicContact CD2-CB 3.74Å; W14-P40 HydrophobicContact CD2-CG 3.64Å; W14-P40 HydrophobicContact CE3-CB 3.92Å; W14-P40 HydrophobicContact CE3-CG 3.62Å; W14-P40 HydrophobicContact CG-CB 4.31Å; W14-P40 HydrophobicContact CG-CG 3.99Å; W14-P40 HydrophobicContact CH2-CB 4Å; W14-P40 HydrophobicContact CZ2-CB 3.87Å; W14-P40 HydrophobicContact CZ3-CB 4.04Å; W14-P40 HydrophobicContact CZ3-CG 4.09Å
15	E	96.4	Very high	93.6	Very high	61 Å²	61	84.7 Å²	84.7	29%	0.285	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	173.8	179.1	-172.3	-177.8	0	0	110.6	R17 Y27 I28 H30	E15-R17 VanDerWaalsContact CD-NH2 3.3Å; E15-R17 HydrophobicContact CG-CG 4.22Å; E15-R17 IonicContact OE1-CZ 3.34Å; E15-R17 IonicContact OE1-NE 3.3Å; E15-R17 PolarHBondContact OE1-NE 2.86Å; E15-R17 IonicContact OE1-NH2 2.7Å; E15-R17 PolarHBondContact OE1-NH2 3.12Å; E15-R17 VanDerWaalsContact OE1-NH2 3.1Å; E15-R17 IonicContact OE2-CZ 3.56Å; E15-R17 IonicContact OE2-NE 3.35Å; E15-R17 PolarHBondContact OE2-NE 2.87Å; E15-R17 IonicContact OE2-NH2 3.25Å; E15-R17 PolarHBondContact OE2-NH2 3.03Å; E15-Y27 CarbonylContact O-C 3.57Å; E15-Y27 WeakPolarHBondContact O-CA 3.32Å; E15-I28 HydrophobicContact CB-CB 4.45Å; E15-I28 PolarHBondContact N-O 3.48Å; E15-I28 PolarHBondContact O-N 3.31Å; E15-H30 VanDerWaalsContact CB-NE2 3.31Å; E15-H30 WeakPolarHBondContact CB-NE2 3.38Å; E15-H30 IonicContact OE2-CE1 2.96Å; E15-H30 PolarHBondContact OE2-CE1 2.67Å; E15-H30 VanDerWaalsContact OE2-CE1 3.25Å; E15-H30 IonicContact OE2-NE2 3.04Å
16	S	95.2	Very high	94.2	Very high	43 Å²	43	82.8 Å²	82.8	30%	0.301	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.1	170.6	60	0	0	0	0	111.2	F26	S16-F26 WeakPolarHBondContact CA-O 3.32Å
17	R	95.2	Very high	94.8	Very high	119 Å²	119	80.5 Å²	80.5	45%	0.449	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.5	172.8	-66.9	-163.4	-173.5	157	10	111.7	E15 W25 F26 I28	E15-R17 VanDerWaalsContact CD-NH2 3.3Å; E15-R17 HydrophobicContact CG-CG 4.22Å; E15-R17 IonicContact OE1-CZ 3.34Å; E15-R17 IonicContact OE1-NE 3.3Å; E15-R17 PolarHBondContact OE1-NE 2.86Å; E15-R17 IonicContact OE1-NH2 2.7Å; E15-R17 PolarHBondContact OE1-NH2 3.12Å; E15-R17 VanDerWaalsContact OE1-NH2 3.1Å; E15-R17 IonicContact OE2-CZ 3.56Å; E15-R17 IonicContact OE2-NE 3.35Å; E15-R17 PolarHBondContact OE2-NE 2.87Å; E15-R17 IonicContact OE2-NH2 3.25Å; E15-R17 PolarHBondContact OE2-NH2 3.03Å; R17-W25 CarbonylContact O-C 3.54Å; R17-W25 WeakPolarHBondContact O-CA 3.49Å; R17-F26 HydrophobicContact CB-CD1 4.18Å; R17-F26 HydrophobicContact CB-CE1 3.59Å; R17-F26 HydrophobicContact CB-CE2 4.17Å; R17-F26 HydrophobicContact CB-CZ 3.6Å; R17-F26 HydrophobicContact CG-CZ 4.43Å; R17-F26 PolarHBondContact N-O 2.85Å; R17-F26 WeakPolarHBondContact O-CD1 3.39Å; R17-F26 PolarHBondContact O-N 3.16Å; R17-I28 HydrophobicContact CG-CD1 4.02Å
18	L	96.2	Very high	95.3	Very high	102 Å²	102	74.1 Å²	74.1	53%	0.534	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	168.1	-167	75.1	0	0	0	108.6	G23 W25	L18-G23 WeakPolarHBondContact CD1-O 3.27Å; L18-W25 HydrophobicContact CD1-CD2 4.16Å; L18-W25 HydrophobicContact CD1-CG 4.18Å
19	D	95.7	Very high	95.6	Very high	39 Å²	39	70.6 Å²	70.6	21%	0.209	38%	0.379	C	S	.	.			trans	-78.8	132	170.6	170.1	34	0	0	0	110.5	E21 S22 G23 L24 F26 W37	D19-E21 VanDerWaalsContact C-N 3.33Å; D19-E21 PolarHBondContact OD1-N 2.82Å; D19-S22 VanDerWaalsContact OD2-CB 3.24Å; D19-S22 WeakPolarHBondContact OD2-CB 3.27Å; D19-S22 PolarHBondContact OD2-N 2.83Å; D19-S22 PolarHBondContact OD2-OG 2.97Å; D19-G23 VanDerWaalsContact O-CA 3.22Å; D19-G23 WeakPolarHBondContact O-CA 3.16Å; D19-G23 PolarHBondContact O-N 2.82Å; D19-L24 PolarHBondContact N-O 2.83Å; D19-F26 HydrophobicContact CB-CD1 3.83Å; D19-F26 HydrophobicContact CB-CE1 3.92Å; D19-W37 HydrophobicContact CB-CH2 4.1Å; D19-W37 HydrophobicContact CB-CZ3 4.39Å
20	S	95.5	Very high	95.7	Very high	119 Å²	119	70.6 Å²	70.6	83%	0.832	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.5	178.1	52.1	0	0	0	0	114.3
21	E	95.4	Very high	95.8	Very high	165 Å²	165	75 Å²	75	77%	0.771	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-49.1	-177.6	-168.1	167.6	160.6	0	0	112	D19	D19-E21 VanDerWaalsContact C-N 3.33Å; D19-E21 PolarHBondContact OD1-N 2.82Å
22	S	94.6	Very high	95.8	Very high	59 Å²	59	81 Å²	81	41%	0.413	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-20.2	178	63.8	0	0	0	0	114.8	D19 L24	D19-S22 VanDerWaalsContact OD2-CB 3.24Å; D19-S22 WeakPolarHBondContact OD2-CB 3.27Å; D19-S22 PolarHBondContact OD2-N 2.83Å; D19-S22 PolarHBondContact OD2-OG 2.97Å; S22-L24 PolarHBondContact O-N 2.77Å; S22-L24 PolarHBondContact OG-N 3.16Å
23	G	95.3	Very high	95.9	Very high	49 Å²	49	85.7 Å²	85.7	51%	0.505	43%	0.43	S	S	.	.			trans	68.5	13.9	-171	0	0	0	0	0	114	L18 D19	L18-G23 WeakPolarHBondContact CD1-O 3.27Å; D19-G23 VanDerWaalsContact O-CA 3.22Å; D19-G23 WeakPolarHBondContact O-CA 3.16Å; D19-G23 PolarHBondContact O-N 2.82Å
24	L	94.3	Very high	95.9	Very high	103 Å²	103	84.7 Å²	84.7	54%	0.539	43%	0.427	S	S	.	.			trans	-97.9	154.4	-179.8	-62.7	177.5	0	0	0	111.8	D19 S22 W37	D19-L24 PolarHBondContact N-O 2.83Å; S22-L24 PolarHBondContact O-N 2.77Å; S22-L24 PolarHBondContact OG-N 3.16Å; L24-W37 HydrophobicContact CB-CE3 4.24Å; L24-W37 HydrophobicContact CB-CZ3 3.76Å
25	W	94.5	Very high	95.8	Very high	150 Å²	150	85.7 Å²	85.7	57%	0.568	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.2	171.4	-71.8	90.2	0	0	0	110.6	R17 L18	R17-W25 CarbonylContact O-C 3.54Å; R17-W25 WeakPolarHBondContact O-CA 3.49Å; L18-W25 HydrophobicContact CD1-CD2 4.16Å; L18-W25 HydrophobicContact CD1-CG 4.18Å
26	F	95.4	Very high	95.8	Very high	40 Å²	40	84.5 Å²	84.5	18%	0.175	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.7	171.8	71.7	-83.2	0	0	0	110.6	S16 R17 D19 I28 T35 W37	S16-F26 WeakPolarHBondContact CA-O 3.32Å; R17-F26 HydrophobicContact CB-CD1 4.18Å; R17-F26 HydrophobicContact CB-CE1 3.59Å; R17-F26 HydrophobicContact CB-CE2 4.17Å; R17-F26 HydrophobicContact CB-CZ 3.6Å; R17-F26 HydrophobicContact CG-CZ 4.43Å; R17-F26 PolarHBondContact N-O 2.85Å; R17-F26 WeakPolarHBondContact O-CD1 3.39Å; R17-F26 PolarHBondContact O-N 3.16Å; D19-F26 HydrophobicContact CB-CD1 3.83Å; D19-F26 HydrophobicContact CB-CE1 3.92Å; F26-I28 HydrophobicContact CD2-CG1 4.01Å; F26-I28 HydrophobicContact CE2-CD1 3.84Å; F26-I28 HydrophobicContact CE2-CG1 3.67Å; F26-I28 HydrophobicContact CZ-CD1 4.49Å; F26-T35 HydrophobicContact CD2-CG2 4.49Å; F26-T35 HydrophobicContact CE2-CG2 4.48Å; F26-W37 HydrophobicContact CB-CD2 4.4Å; F26-W37 HydrophobicContact CB-CE3 3.76Å; F26-W37 HydrophobicContact CB-CH2 4.43Å; F26-W37 HydrophobicContact CB-CZ3 3.78Å
27	Y	97.2	Very high	95.8	Very high	25 Å²	25	89.5 Å²	89.5	10%	0.098	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.5	-173.3	-57	-86.3	0	0	0	109.7	L10 E15 T35 S36 D38 D39 P40	L10-Y27 HydrophobicContact CD2-CD1 3.78Å; L10-Y27 HydrophobicContact CD2-CE1 4.01Å; E15-Y27 CarbonylContact O-C 3.57Å; E15-Y27 WeakPolarHBondContact O-CA 3.32Å; Y27-T35 CarbonylContact O-C 3.57Å; Y27-T35 WeakPolarHBondContact O-CA 3.39Å; Y27-S36 PolarHBondContact N-O 2.86Å; Y27-S36 PolarHBondContact O-N 2.85Å; Y27-D38 VanDerWaalsContact CD2-O 3.28Å; Y27-D38 WeakPolarHBondContact CD2-O 3.4Å; Y27-D39 HydrophobicContact CE1-CB 4.46Å; Y27-D39 VanDerWaalsContact CE2-CA 3.46Å; Y27-D39 HydrophobicContact CE2-CB 3.82Å; Y27-D39 PolarHBondContact OH-OD2 2.76Å; Y27-P40 HydrophobicContact CD1-CG 4.42Å
28	I	97.1	Very high	95.8	Very high	22 Å²	22	89.9 Å²	89.9	11%	0.113	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.8	-178.3	-51.3	177.9	0	0	0	107.9	W14 E15 R17 F26 T35	W14-I28 VanDerWaalsContact CA-O 3.27Å; W14-I28 WeakPolarHBondContact CA-O 3.33Å; E15-I28 HydrophobicContact CB-CB 4.45Å; E15-I28 PolarHBondContact N-O 3.48Å; E15-I28 PolarHBondContact O-N 3.31Å; R17-I28 HydrophobicContact CG-CD1 4.02Å; F26-I28 HydrophobicContact CD2-CG1 4.01Å; F26-I28 HydrophobicContact CE2-CD1 3.84Å; F26-I28 HydrophobicContact CE2-CG1 3.67Å; F26-I28 HydrophobicContact CZ-CD1 4.49Å; I28-T35 HydrophobicContact CG1-CG2 4.19Å; I28-T35 HydrophobicContact CG2-CG2 4.4Å
29	N	96.8	Very high	95.7	Very high	9 Å²	9	86.8 Å²	86.8	5%	0.048	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.7	167.3	-178.3	-5.1	0	0	0	108.6	W14 E31 E32 K33 T34	W14-N29 HydrophobicContact CD2-CB 3.99Å; W14-N29 HydrophobicContact CE3-CB 4.04Å; W14-N29 HydrophobicContact CH2-CB 3.88Å; W14-N29 HydrophobicContact CZ2-CB 3.75Å; W14-N29 HydrophobicContact CZ3-CB 4Å; N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact O-N 2.85Å; N29-E31 WeakPolarHBondContact OD1-CB 3.46Å; N29-E31 PolarHBondContact OD1-N 2.84Å; N29-E32 VanDerWaalsContact ND2-CG 3.28Å; N29-E32 WeakPolarHBondContact ND2-CG 3.48Å; N29-E32 PolarHBondContact ND2-OE2 2.67Å; N29-E32 PolarHBondContact OD1-N 2.89Å; N29-K33 CarbonylContact O-C 3.57Å; N29-K33 WeakPolarHBondContact O-CA 3.32Å; N29-K33 PolarHBondContact O-N 2.78Å; N29-T34 WeakPolarHBondContact CB-OG1 3.38Å; N29-T34 PolarHBondContact N-O 2.88Å; N29-T34 PolarHBondContact O-N 3.16Å
30	H	96.5	Very high	95.6	Very high	93 Å²	93	85.5 Å²	85.5	43%	0.431	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.1	-179.2	-59.9	-57.1	0	0	0	113.9	N13 E15	N13-H30 WeakPolarHBondContact O-CB 3.07Å; N13-H30 PolarHBondContact O-CD2 3.28Å; N13-H30 VanDerWaalsContact O-CD2 3.23Å; N13-H30 PolarHBondContact O-N 2.59Å; E15-H30 VanDerWaalsContact CB-NE2 3.31Å; E15-H30 WeakPolarHBondContact CB-NE2 3.38Å; E15-H30 IonicContact OE2-CE1 2.96Å; E15-H30 PolarHBondContact OE2-CE1 2.67Å; E15-H30 VanDerWaalsContact OE2-CE1 3.25Å; E15-H30 IonicContact OE2-NE2 3.04Å
31	E	96.2	Very high	95.6	Very high	140 Å²	140	80.9 Å²	80.9	65%	0.654	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-54.2	-178.7	-170.4	171.2	167.4	0	0	110.6	N13 N29 K33	N13-E31 HydrophobicContact CB-CB 4.07Å; N13-E31 PolarHBondContact ND2-OE2 3.11Å; N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact O-N 2.85Å; N29-E31 WeakPolarHBondContact OD1-CB 3.46Å; N29-E31 PolarHBondContact OD1-N 2.84Å; E31-K33 VanDerWaalsContact C-N 3.34Å
32	E	95.9	Very high	95.4	Very high	132 Å²	132	75.2 Å²	75.2	62%	0.617	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.9	174.4	-64.7	174.8	162	0	0	113.2	N29 T34	N29-E32 VanDerWaalsContact ND2-CG 3.28Å; N29-E32 WeakPolarHBondContact ND2-CG 3.48Å; N29-E32 PolarHBondContact ND2-OE2 2.67Å; N29-E32 PolarHBondContact OD1-N 2.89Å; E32-T34 HydrophobicContact CB-CG2 3.8Å; E32-T34 WeakPolarHBondContact CB-OG1 3.3Å; E32-T34 PolarHBondContact O-N 2.83Å; E32-T34 PolarHBondContact OE2-OG1 2.68Å
33	K	95.8	Very high	95.3	Very high	184 Å²	184	75.4 Å²	75.4	80%	0.8	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	32	-171.1	-55.3	169.8	-172.3	168.3	0	112.9	N29 E31	N29-K33 CarbonylContact O-C 3.57Å; N29-K33 WeakPolarHBondContact O-CA 3.32Å; N29-K33 PolarHBondContact O-N 2.78Å; E31-K33 VanDerWaalsContact C-N 3.34Å
34	T	96.5	Very high	95.2	Very high	61 Å²	61	76.9 Å²	76.9	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	161	178.9	51.5	0	0	0	0	111.2	N29 E32	N29-T34 WeakPolarHBondContact CB-OG1 3.38Å; N29-T34 PolarHBondContact N-O 2.88Å; N29-T34 PolarHBondContact O-N 3.16Å; E32-T34 HydrophobicContact CB-CG2 3.8Å; E32-T34 WeakPolarHBondContact CB-OG1 3.3Å; E32-T34 PolarHBondContact O-N 2.83Å; E32-T34 PolarHBondContact OE2-OG1 2.68Å
35	T	96.5	Very high	95.2	Very high	85 Å²	85	74 Å²	74	52%	0.521	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.8	174	53.6	0	0	0	0	109.8	F26 Y27 I28	F26-T35 HydrophobicContact CD2-CG2 4.49Å; F26-T35 HydrophobicContact CE2-CG2 4.48Å; Y27-T35 CarbonylContact O-C 3.57Å; Y27-T35 WeakPolarHBondContact O-CA 3.39Å; I28-T35 HydrophobicContact CG1-CG2 4.19Å; I28-T35 HydrophobicContact CG2-CG2 4.4Å
36	S	95.7	Very high	95	Very high	36 Å²	36	69.9 Å²	69.9	25%	0.252	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.3	179.5	-170.3	0	0	0	0	111.4	Y27 D38	Y27-S36 PolarHBondContact N-O 2.86Å; Y27-S36 PolarHBondContact O-N 2.85Å; S36-D38 PolarHBondContact OG-N 3.3Å; S36-D38 VanDerWaalsContact OG-N 3.1Å
37	W	95.4	Very high	94.8	Very high	148 Å²	148	70.8 Å²	70.8	56%	0.561	37%	0.369	S	S	*	.	S	Bend	trans	-87.3	-19.7	167.2	-61.7	104.7	0	0	0	112.1	D19 L24 F26	D19-W37 HydrophobicContact CB-CH2 4.1Å; D19-W37 HydrophobicContact CB-CZ3 4.39Å; L24-W37 HydrophobicContact CB-CE3 4.24Å; L24-W37 HydrophobicContact CB-CZ3 3.76Å; F26-W37 HydrophobicContact CB-CD2 4.4Å; F26-W37 HydrophobicContact CB-CE3 3.76Å; F26-W37 HydrophobicContact CB-CH2 4.43Å; F26-W37 HydrophobicContact CB-CZ3 3.78Å
38	D	94.7	Very high	94.4	Very high	127 Å²	127	72.9 Å²	72.9	68%	0.679	38%	0.379	S	S	*	.	S	Bend	trans	-79.9	134.9	177.7	-64.3	-56.5	0	0	0	111.4	Y27 S36	Y27-D38 VanDerWaalsContact CD2-O 3.28Å; Y27-D38 WeakPolarHBondContact CD2-O 3.4Å; S36-D38 PolarHBondContact OG-N 3.3Å; S36-D38 VanDerWaalsContact OG-N 3.1Å
39	D	94.3	Very high	94	Very high	36 Å²	36	75.5 Å²	75.5	19%	0.193	39%	0.391	C	S	.	.			trans	-66.5	125.7	174.9	-171.6	-25.6	0	0	0	109.9	Y27 R41 P42	Y27-D39 HydrophobicContact CE1-CB 4.46Å; Y27-D39 VanDerWaalsContact CE2-CA 3.46Å; Y27-D39 HydrophobicContact CE2-CB 3.82Å; Y27-D39 PolarHBondContact OH-OD2 2.76Å; D39-R41 VanDerWaalsContact C-N 3.32Å; D39-R41 PolarHBondContact O-N 3.19Å; D39-R41 WeakPolarHBondContact OD1-CB 3.17Å; D39-R41 VanDerWaalsContact OD1-CG 3.29Å; D39-R41 WeakPolarHBondContact OD1-CG 3.4Å; D39-R41 IonicContact OD1-CZ 2.8Å; D39-R41 PolarHBondContact OD1-N 3.25Å; D39-R41 IonicContact OD1-NE 3.87Å; D39-R41 PolarHBondContact OD1-NE 3.48Å; D39-R41 IonicContact OD1-NH2 3.86Å; D39-R41 IonicContact OD2-CZ 3.63Å; D39-R41 VanDerWaalsContact OD2-CZ 3.31Å; D39-R41 IonicContact OD2-NE 2.73Å; D39-R41 PolarHBondContact OD2-NE 3.16Å; D39-R41 IonicContact OD2-NH2 3.31Å; D39-R41 PolarHBondContact OD2-NH2 2.55Å; D39-P42 VanDerWaalsContact O-CD 3.29Å; D39-P42 WeakPolarHBondContact O-CD 3.38Å
40	P	94.8	Very high	93.5	Very high	13 Å²	13	80 Å²	80	8%	0.084	41%	0.414	C	S	.	.	S	Bend	trans	-76.6	-16.9	-179.9	34	-40.2	0	0	0	113.1	L10 P11 W14 Y27 A43 Y44	L10-P40 HydrophobicContact CD2-CG 4.25Å; P11-P40 HydrophobicContact CG-CB 4.08Å; P11-P40 HydrophobicContact CG-CG 4.09Å; W14-P40 HydrophobicContact CB-CG 4.33Å; W14-P40 HydrophobicContact CD2-CB 3.74Å; W14-P40 HydrophobicContact CD2-CG 3.64Å; W14-P40 HydrophobicContact CE3-CB 3.92Å; W14-P40 HydrophobicContact CE3-CG 3.62Å; W14-P40 HydrophobicContact CG-CB 4.31Å; W14-P40 HydrophobicContact CG-CG 3.99Å; W14-P40 HydrophobicContact CH2-CB 4Å; W14-P40 HydrophobicContact CZ2-CB 3.87Å; W14-P40 HydrophobicContact CZ3-CB 4.04Å; W14-P40 HydrophobicContact CZ3-CG 4.09Å; Y27-P40 HydrophobicContact CD1-CG 4.42Å; P40-A43 PolarHBondContact O-N 3Å; P40-Y44 WeakPolarHBondContact O-CB 3.3Å; P40-Y44 PolarHBondContact O-N 3.21Å
41	R	94.2	Very high	93.1	Very high	22 Å²	22	80.3 Å²	80.3	8%	0.083	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-42.9	-173.2	-66.9	174.6	-71.2	-166	-2.6	113.9	Y5 S6 K8 P9 L10 D39 A43 Y44 Y45	Y5-R41 HydrophobicContact CD1-CB 4.09Å; Y5-R41 HydrophobicContact CG-CB 4.39Å; Y5-R41 WeakPolarHBondContact O-CD 3.4Å; Y5-R41 PolarHBondContact O-NE 2.77Å; Y5-R41 PolarHBondContact O-NH1 3.18Å; S6-R41 PolarHBondContact O-NH1 2.93Å; K8-R41 VanDerWaalsContact O-CD 3.28Å; K8-R41 WeakPolarHBondContact O-CD 3.25Å; K8-R41 PolarHBondContact O-NH1 3.07Å; P9-R41 VanDerWaalsContact O-CD 3.3Å; P9-R41 WeakPolarHBondContact O-CD 3.25Å; L10-R41 HydrophobicContact CD2-CG 4.47Å; D39-R41 VanDerWaalsContact C-N 3.32Å; D39-R41 PolarHBondContact O-N 3.19Å; D39-R41 WeakPolarHBondContact OD1-CB 3.17Å; D39-R41 VanDerWaalsContact OD1-CG 3.29Å; D39-R41 WeakPolarHBondContact OD1-CG 3.4Å; D39-R41 IonicContact OD1-CZ 2.8Å; D39-R41 PolarHBondContact OD1-N 3.25Å; D39-R41 IonicContact OD1-NE 3.87Å; D39-R41 PolarHBondContact OD1-NE 3.48Å; D39-R41 IonicContact OD1-NH2 3.86Å; D39-R41 IonicContact OD2-CZ 3.63Å; D39-R41 VanDerWaalsContact OD2-CZ 3.31Å; D39-R41 IonicContact OD2-NE 2.73Å; D39-R41 PolarHBondContact OD2-NE 3.16Å; D39-R41 IonicContact OD2-NH2 3.31Å; D39-R41 PolarHBondContact OD2-NH2 2.55Å; R41-A43 PolarHBondContact O-N 3.07Å; R41-Y44 PolarHBondContact O-N 3.32Å; R41-Y45 HydrophobicContact CB-CD2 3.97Å; R41-Y45 HydrophobicContact CB-CE2 4Å; R41-Y45 HydrophobicContact CG-CE2 4.17Å; R41-Y45 WeakPolarHBondContact O-CB 3.28Å; R41-Y45 WeakPolarHBondContact O-CD2 3.15Å; R41-Y45 PolarHBondContact O-N 3.18Å
42	P	92.6	Very high	92.5	Very high	45 Å²	45	78 Å²	78	29%	0.292	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-43.4	175.6	-22.5	33.2	0	0	0	113	Y5 D39 S46	Y5-P42 HydrophobicContact CD1-CB 4.43Å; Y5-P42 HydrophobicContact CD1-CG 4.06Å; Y5-P42 HydrophobicContact CD2-CG 3.8Å; Y5-P42 HydrophobicContact CE1-CB 4.04Å; Y5-P42 HydrophobicContact CE1-CG 4.14Å; Y5-P42 HydrophobicContact CE2-CB 4.14Å; Y5-P42 HydrophobicContact CE2-CG 3.87Å; Y5-P42 HydrophobicContact CG-CG 3.9Å; D39-P42 VanDerWaalsContact O-CD 3.29Å; D39-P42 WeakPolarHBondContact O-CD 3.38Å; P42-S46 VanDerWaalsContact O-CB 3.26Å; P42-S46 WeakPolarHBondContact O-CB 3.22Å; P42-S46 PolarHBondContact O-N 3.02Å; P42-S46 PolarHBondContact O-OG 2.97Å
43	A	92	Very high	91.8	Very high	64 Å²	64	75.1 Å²	75.1	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-47.7	177.2	0	0	0	0	0	111.4	P40 R41 S46 A47	P40-A43 PolarHBondContact O-N 3Å; R41-A43 PolarHBondContact O-N 3.07Å; A43-S46 PolarHBondContact O-N 3.25Å; A43-S46 PolarHBondContact O-OG 3.33Å; A43-S46 VanDerWaalsContact O-OG 3.06Å; A43-A47 WeakPolarHBondContact O-CB 3.35Å; A43-A47 PolarHBondContact O-N 2.95Å
44	Y	93.7	Very high	91.2	Very high	79 Å²	79	69.7 Å²	69.7	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-48.7	-179.8	-176.5	-112.4	0	0	0	112.9	P11 P12 P40 R41 A47 Q48	P11-Y44 HydrophobicContact CB-CD1 3.71Å; P11-Y44 HydrophobicContact CB-CD2 3.76Å; P11-Y44 HydrophobicContact CB-CE1 3.99Å; P11-Y44 HydrophobicContact CB-CE2 4.05Å; P11-Y44 HydrophobicContact CB-CG 3.58Å; P11-Y44 HydrophobicContact CG-CD1 3.71Å; P11-Y44 HydrophobicContact CG-CD2 4.19Å; P11-Y44 HydrophobicContact CG-CE1 4.44Å; P11-Y44 HydrophobicContact CG-CG 3.56Å; P12-Y44 VanDerWaalsContact CD-CZ 3.43Å; P12-Y44 WeakPolarHBondContact CD-OH 3.18Å; P40-Y44 WeakPolarHBondContact O-CB 3.3Å; P40-Y44 PolarHBondContact O-N 3.21Å; R41-Y44 PolarHBondContact O-N 3.32Å; Y44-A47 PolarHBondContact O-N 3.34Å; Y44-Q48 PolarHBondContact O-N 2.91Å; Y44-Q48 PolarHBondContact OH-NE2 3.02Å; Y44-Q48 VanDerWaalsContact OH-NE2 3.13Å
45	Y	92.7	Very high	90.5	Very high	42 Å²	42	70.8 Å²	70.8	17%	0.165	38%	0.38	C	S	.	.	H	α-helix	trans	-74.5	-25.5	-179	-70.3	-58.7	0	0	0	113.6	Y5 K8 P9 R41 Q49	Y5-Y45 HydrophobicContact CD1-CD2 4.33Å; K8-Y45 HydrophobicContact CB-CD2 4.32Å; K8-Y45 HydrophobicContact CB-CE2 3.55Å; K8-Y45 HydrophobicContact CD-CD2 3.77Å; K8-Y45 HydrophobicContact CD-CE2 3.83Å; K8-Y45 HydrophobicContact CD-CG 4.4Å; K8-Y45 HydrophobicContact CG-CE2 4.33Å; P9-Y45 WeakPolarHBondContact CD-OH 3.28Å; P9-Y45 WeakPolarHBondContact CG-OH 3.41Å; P9-Y45 PolarHBondContact O-OH 3.43Å; R41-Y45 HydrophobicContact CB-CD2 3.97Å; R41-Y45 HydrophobicContact CB-CE2 4Å; R41-Y45 HydrophobicContact CG-CE2 4.17Å; R41-Y45 WeakPolarHBondContact O-CB 3.28Å; R41-Y45 WeakPolarHBondContact O-CD2 3.15Å; R41-Y45 PolarHBondContact O-N 3.18Å; Y45-Q49 VanDerWaalsContact O-CG 3.28Å; Y45-Q49 WeakPolarHBondContact O-CG 3.36Å; Y45-Q49 PolarHBondContact O-N 3.49Å; Y45-Q49 PolarHBondContact O-NE2 3.02Å
46	S	90.7	Very high	89.2	Confident	64 Å²	64	67.6 Å²	67.6	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-74	-38.4	170.4	56.9	0	0	0	0	111.9	P42 A43 Q49 L50	P42-S46 VanDerWaalsContact O-CB 3.26Å; P42-S46 WeakPolarHBondContact O-CB 3.22Å; P42-S46 PolarHBondContact O-N 3.02Å; P42-S46 PolarHBondContact O-OG 2.97Å; A43-S46 PolarHBondContact O-N 3.25Å; A43-S46 PolarHBondContact O-OG 3.33Å; A43-S46 VanDerWaalsContact O-OG 3.06Å; S46-Q49 PolarHBondContact O-N 3.45Å; S46-L50 PolarHBondContact O-N 2.93Å
47	A	91.2	Very high	88.4	Confident	59 Å²	59	74 Å²	74	49%	0.488	38%	0.377	S	S	.	.	H	α-helix	trans	-60.2	-45.7	172	0	0	0	0	0	112	A43 Y44 Q49 L50 D51	A43-A47 WeakPolarHBondContact O-CB 3.35Å; A43-A47 PolarHBondContact O-N 2.95Å; Y44-A47 PolarHBondContact O-N 3.34Å; A47-Q49 VanDerWaalsContact C-N 3.31Å; A47-Q49 PolarHBondContact O-N 3.2Å; A47-L50 PolarHBondContact O-N 3.49Å; A47-D51 PolarHBondContact O-N 3.32Å
48	Q	90.1	Very high	87.6	Confident	69 Å²	69	74.8 Å²	74.8	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-38.5	173.4	-74.7	-170.9	-5.4	0	0	113	Y44 D51 R52	Y44-Q48 PolarHBondContact O-N 2.91Å; Y44-Q48 PolarHBondContact OH-NE2 3.02Å; Y44-Q48 VanDerWaalsContact OH-NE2 3.13Å; Q48-D51 PolarHBondContact O-N 2.77Å; Q48-R52 WeakPolarHBondContact O-CB 3.41Å; Q48-R52 WeakPolarHBondContact O-CG 3.29Å; Q48-R52 PolarHBondContact O-N 3.49Å
49	Q	86.9	Confident	86.5	Confident	78 Å²	78	71.7 Å²	71.7	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-38.2	176.7	-76.2	169.3	91.9	0	0	111.9	Y45 S46 A47 R52 L53 F71	Y45-Q49 VanDerWaalsContact O-CG 3.28Å; Y45-Q49 WeakPolarHBondContact O-CG 3.36Å; Y45-Q49 PolarHBondContact O-N 3.49Å; Y45-Q49 PolarHBondContact O-NE2 3.02Å; S46-Q49 PolarHBondContact O-N 3.45Å; A47-Q49 VanDerWaalsContact C-N 3.31Å; A47-Q49 PolarHBondContact O-N 3.2Å; Q49-R52 PolarHBondContact O-N 3.2Å; Q49-L53 WeakPolarHBondContact O-CG 3.18Å; Q49-L53 PolarHBondContact O-N 3.24Å; Q49-F71 HydrophobicContact CB-CE1 4.43Å; Q49-F71 HydrophobicContact CG-CE1 4.22Å
50	L	87.1	Confident	85.2	Confident	102 Å²	102	75 Å²	75	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-68.1	-41	175.7	-177.6	59.7	0	0	0	112.1	S46 A47 R52 L53 N54	S46-L50 PolarHBondContact O-N 2.93Å; A47-L50 PolarHBondContact O-N 3.49Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 2.92Å; L50-L53 PolarHBondContact O-N 2.86Å; L50-N54 VanDerWaalsContact O-CG 3.27Å; L50-N54 PolarHBondContact O-N 2.93Å; L50-N54 PolarHBondContact O-ND2 3.5Å
51	D	87.3	Confident	83.8	Confident	100 Å²	100	76.1 Å²	76.1	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-41.6	174.3	-177.4	59.7	0	0	0	112.3	A47 Q48 L53 N54 T55	A47-D51 PolarHBondContact O-N 3.32Å; Q48-D51 PolarHBondContact O-N 2.77Å; D51-L53 PolarHBondContact O-N 2.83Å; D51-N54 PolarHBondContact O-N 3.47Å; D51-T55 WeakPolarHBondContact O-CB 3.47Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.86Å; D51-T55 VanDerWaalsContact O-OG1 3.09Å
52	R	83.7	Confident	82.5	Confident	93 Å²	93	81.8 Å²	81.8	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-42.3	171.1	-77.8	-163.9	-55.2	-142	10	112.7	Q48 Q49 L50 Y56 F70	Q48-R52 WeakPolarHBondContact O-CB 3.41Å; Q48-R52 WeakPolarHBondContact O-CG 3.29Å; Q48-R52 PolarHBondContact O-N 3.49Å; Q49-R52 PolarHBondContact O-N 3.2Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 2.92Å; R52-Y56 VanDerWaalsContact O-CB 3.32Å; R52-Y56 WeakPolarHBondContact O-CB 3.26Å; R52-Y56 PolarHBondContact O-N 3.39Å; R52-F70 HydrophobicContact CB-CD1 4.35Å; R52-F70 HydrophobicContact CB-CE1 3.59Å; R52-F70 HydrophobicContact CB-CZ 4.29Å; R52-F70 HydrophobicContact CG-CE1 3.79Å; R52-F70 HydrophobicContact CG-CZ 3.96Å
53	L	82.8	Confident	81.4	Confident	70 Å²	70	86.9 Å²	86.9	37%	0.366	46%	0.459	S	S	.	.	H	α-helix	trans	-66	-37.9	174.1	-71.5	170.6	0	0	0	112.7	Q49 L50 D51 Y56 R57 F71	Q49-L53 WeakPolarHBondContact O-CG 3.18Å; Q49-L53 PolarHBondContact O-N 3.24Å; L50-L53 PolarHBondContact O-N 2.86Å; D51-L53 PolarHBondContact O-N 2.83Å; L53-Y56 PolarHBondContact O-N 2.87Å; L53-R57 VanDerWaalsContact O-CB 3.32Å; L53-R57 WeakPolarHBondContact O-CB 3.36Å; L53-R57 PolarHBondContact O-N 3.39Å; L53-F71 HydrophobicContact CD2-CE2 3.67Å; L53-F71 HydrophobicContact CD2-CZ 3.72Å; L53-F71 HydrophobicContact CG-CE2 4.31Å; L53-F71 HydrophobicContact CG-CZ 3.88Å
54	N	82.9	Confident	80.1	Confident	70 Å²	70	90.6 Å²	90.6	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-46.2	177.6	-72	-31	0	0	0	111.2	L50 D51 Y56 R57 M58	L50-N54 VanDerWaalsContact O-CG 3.27Å; L50-N54 PolarHBondContact O-N 2.93Å; L50-N54 PolarHBondContact O-ND2 3.5Å; D51-N54 PolarHBondContact O-N 3.47Å; N54-Y56 VanDerWaalsContact C-N 3.32Å; N54-Y56 PolarHBondContact O-N 3.01Å; N54-R57 PolarHBondContact O-N 3.01Å; N54-M58 VanDerWaalsContact O-CG 3.3Å; N54-M58 WeakPolarHBondContact O-CG 3.31Å; N54-M58 PolarHBondContact O-N 3.37Å
55	T	80.6	Confident	78.8	Confident	85 Å²	85	92 Å²	92	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-45.6	174.5	-62.8	0	0	0	0	111	D51 M58 G59	D51-T55 WeakPolarHBondContact O-CB 3.47Å; D51-T55 PolarHBondContact O-N 3.09Å; D51-T55 PolarHBondContact O-OG1 2.86Å; D51-T55 VanDerWaalsContact O-OG1 3.09Å; T55-M58 PolarHBondContact O-N 3.19Å; T55-G59 PolarHBondContact O-N 2.95Å
56	Y	71	Confident	77.4	Confident	17 Å²	17	92.5 Å²	92.5	7%	0.067	48%	0.483	C	S	.	.	H	α-helix	trans	-58.6	-49.7	175.2	-179.1	-81.6	0	0	0	112.1	R52 L53 N54 M58 G59 F60 R63 L66 I67	R52-Y56 VanDerWaalsContact O-CB 3.32Å; R52-Y56 WeakPolarHBondContact O-CB 3.26Å; R52-Y56 PolarHBondContact O-N 3.39Å; L53-Y56 PolarHBondContact O-N 2.87Å; N54-Y56 VanDerWaalsContact C-N 3.32Å; N54-Y56 PolarHBondContact O-N 3.01Å; Y56-M58 VanDerWaalsContact C-N 3.29Å; Y56-M58 PolarHBondContact O-N 3.02Å; Y56-G59 PolarHBondContact O-N 2.85Å; Y56-F60 AromaticContact CD2-CD2 3.76Å; Y56-F60 HydrophobicContact CD2-CD2 3.76Å; Y56-F60 HydrophobicContact CD2-CE2 4.22Å; Y56-F60 HydrophobicContact CE1-CB 4.34Å; Y56-F60 AromaticContact CE2-CD2 3.85Å; Y56-F60 HydrophobicContact CE2-CD2 3.85Å; Y56-F60 HydrophobicContact CE2-CE2 4.42Å; Y56-F60 HydrophobicContact CE2-CG 4.34Å; Y56-F60 HydrophobicContact CG-CD2 4.21Å; Y56-F60 PolarHBondContact O-N 3.19Å; Y56-R63 WeakPolarHBondContact CE1-O 3.41Å; Y56-R63 VanDerWaalsContact CZ-O 3.27Å; Y56-R63 PolarHBondContact OH-O 3.13Å; Y56-L66 HydrophobicContact CE2-CB 3.92Å; Y56-L66 VanDerWaalsContact OH-C 3.3Å; Y56-L66 VanDerWaalsContact OH-CA 3.32Å; Y56-L66 WeakPolarHBondContact OH-CA 3.39Å; Y56-L66 VanDerWaalsContact OH-CB 3.25Å; Y56-L66 WeakPolarHBondContact OH-CB 3.46Å; Y56-L66 PolarHBondContact OH-N 3.47Å; Y56-L66 VanDerWaalsContact OH-N 3.16Å; Y56-I67 HydrophobicContact CD1-CG1 4Å; Y56-I67 HydrophobicContact CE1-CD1 4.1Å; Y56-I67 HydrophobicContact CE1-CG1 3.4Å; Y56-I67 HydrophobicContact CE2-CG1 4.18Å; Y56-I67 PolarHBondContact OH-N 3.12Å
57	R	77.6	Confident	76.1	Confident	171 Å²	171	92 Å²	92	65%	0.645	48%	0.475	S	S	*	.	H	α-helix	trans	-59.4	-37.8	178.6	-179.2	-177.6	176.7	-149.3	-2.8	112.6	L53 N54 G61	L53-R57 VanDerWaalsContact O-CB 3.32Å; L53-R57 WeakPolarHBondContact O-CB 3.36Å; L53-R57 PolarHBondContact O-N 3.39Å; N54-R57 PolarHBondContact O-N 3.01Å; R57-G61 WeakPolarHBondContact O-CA 3.27Å; R57-G61 PolarHBondContact O-N 3.18Å
58	M	78.2	Confident	74.8	Confident	165 Å²	165	91.9 Å²	91.9	81%	0.813	48%	0.48	S	S	*	.	H	α-helix	trans	-75.5	-34.3	177.6	-66.8	-62	-67.5	0	0	112.8	N54 T55 Y56	N54-M58 VanDerWaalsContact O-CG 3.3Å; N54-M58 WeakPolarHBondContact O-CG 3.31Å; N54-M58 PolarHBondContact O-N 3.37Å; T55-M58 PolarHBondContact O-N 3.19Å; Y56-M58 VanDerWaalsContact C-N 3.29Å; Y56-M58 PolarHBondContact O-N 3.02Å
59	G	73.2	Confident	73.5	Confident	61 Å²	61	96.4 Å²	96.4	63%	0.629	50%	0.501	S	S	*	.	H	α-helix	trans	-84.3	-35.1	-177.3	0	0	0	0	0	115.3	T55 Y56	T55-G59 PolarHBondContact O-N 2.95Å; Y56-G59 PolarHBondContact O-N 2.85Å
60	F	65.5	Low	72	Confident	105 Å²	105	97.6 Å²	97.6	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-114.8	-8.1	-173.2	-61.7	-78.8	0	0	0	114.3	Y56 R63 L66	Y56-F60 AromaticContact CD2-CD2 3.76Å; Y56-F60 HydrophobicContact CD2-CD2 3.76Å; Y56-F60 HydrophobicContact CD2-CE2 4.22Å; Y56-F60 HydrophobicContact CE1-CB 4.34Å; Y56-F60 AromaticContact CE2-CD2 3.85Å; Y56-F60 HydrophobicContact CE2-CD2 3.85Å; Y56-F60 HydrophobicContact CE2-CE2 4.42Å; Y56-F60 HydrophobicContact CE2-CG 4.34Å; Y56-F60 HydrophobicContact CG-CD2 4.21Å; Y56-F60 PolarHBondContact O-N 3.19Å; F60-R63 HydrophobicContact CB-CB 4.39Å; F60-R63 WeakPolarHBondContact O-CG 3.48Å; F60-L66 HydrophobicContact CD1-CD1 3.89Å; F60-L66 HydrophobicContact CE1-CD1 4.11Å
61	G	66.1	Low	70.6	Confident	37 Å²	37	94.3 Å²	94.3	38%	0.381	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-151	-174.7	0	0	0	0	0	112.3	R57 R63	R57-G61 WeakPolarHBondContact O-CA 3.27Å; R57-G61 PolarHBondContact O-N 3.18Å; G61-R63 PolarHBondContact O-N 3Å
62	D	67.9	Low	69.2	Low	142 Å²	142	98.1 Å²	98.1	76%	0.759	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	12.4	-178.2	-61	-46.4	0	0	0	114.5	Q64	D62-Q64 PolarHBondContact O-N 3.26Å
63	R	68.5	Low	67.7	Low	152 Å²	152	98.1 Å²	98.1	57%	0.574	51%	0.512	S	S	*	.			trans	-64.8	96.6	169	-71	-170.6	-164	-169.9	7.3	109.3	Y56 F60 G61 D65	Y56-R63 WeakPolarHBondContact CE1-O 3.41Å; Y56-R63 VanDerWaalsContact CZ-O 3.27Å; Y56-R63 PolarHBondContact OH-O 3.13Å; F60-R63 HydrophobicContact CB-CB 4.39Å; F60-R63 WeakPolarHBondContact O-CG 3.48Å; G61-R63 PolarHBondContact O-N 3Å; R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 VanDerWaalsContact C-OD1 3.29Å; R63-D65 VanDerWaalsContact CA-OD1 3.27Å; R63-D65 WeakPolarHBondContact CA-OD1 3.49Å; R63-D65 VanDerWaalsContact CB-OD1 3.27Å; R63-D65 WeakPolarHBondContact CB-OD1 3.28Å
64	Q	65.1	Low	66	Low	142 Å²	142	100.6 Å²	100.6	66%	0.664	53%	0.533	S	S	*	.			trans	-86.1	-6.6	179.7	-69	152.8	30.9	0	0	112.6	D62 I67	D62-Q64 PolarHBondContact O-N 3.26Å; Q64-I67 HydrophobicContact CB-CD1 3.97Å; Q64-I67 HydrophobicContact CG-CD1 4.1Å; Q64-I67 WeakPolarHBondContact O-CB 3.36Å; Q64-I67 WeakPolarHBondContact O-CG1 3.29Å; Q64-I67 PolarHBondContact O-N 2.75Å
65	D	66.5	Low	64.1	Low	108 Å²	108	104.6 Å²	104.6	58%	0.578	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-29.7	-174.6	47	-51.1	0	0	0	114.6	R63	R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 VanDerWaalsContact C-OD1 3.29Å; R63-D65 VanDerWaalsContact CA-OD1 3.27Å; R63-D65 WeakPolarHBondContact CA-OD1 3.49Å; R63-D65 VanDerWaalsContact CB-OD1 3.27Å; R63-D65 WeakPolarHBondContact CB-OD1 3.28Å
66	L	63.6	Low	62.2	Low	52 Å²	52	107.8 Å²	107.8	27%	0.272	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	0.4	177.5	-45.1	170.1	0	0	0	113.2	Y56 F60 G68 E69	Y56-L66 HydrophobicContact CE2-CB 3.92Å; Y56-L66 VanDerWaalsContact OH-C 3.3Å; Y56-L66 VanDerWaalsContact OH-CA 3.32Å; Y56-L66 WeakPolarHBondContact OH-CA 3.39Å; Y56-L66 VanDerWaalsContact OH-CB 3.25Å; Y56-L66 WeakPolarHBondContact OH-CB 3.46Å; Y56-L66 PolarHBondContact OH-N 3.47Å; Y56-L66 VanDerWaalsContact OH-N 3.16Å; F60-L66 HydrophobicContact CD1-CD1 3.89Å; F60-L66 HydrophobicContact CE1-CD1 4.11Å; L66-G68 PolarHBondContact O-N 3.03Å; L66-E69 WeakPolarHBondContact O-CB 3.1Å; L66-E69 PolarHBondContact O-N 3.01Å
67	I	62.9	Low	60.7	Low	55 Å²	55	109.2 Å²	109.2	28%	0.282	57%	0.574	S	S	.	*	H	α-helix	trans	-61.3	-37	177.9	-62.6	175.4	0	0	0	110.5	Y56 Q64 E69 F70 F71	Y56-I67 HydrophobicContact CD1-CG1 4Å; Y56-I67 HydrophobicContact CE1-CD1 4.1Å; Y56-I67 HydrophobicContact CE1-CG1 3.4Å; Y56-I67 HydrophobicContact CE2-CG1 4.18Å; Y56-I67 PolarHBondContact OH-N 3.12Å; Q64-I67 HydrophobicContact CB-CD1 3.97Å; Q64-I67 HydrophobicContact CG-CD1 4.1Å; Q64-I67 WeakPolarHBondContact O-CB 3.36Å; Q64-I67 WeakPolarHBondContact O-CG1 3.29Å; Q64-I67 PolarHBondContact O-N 2.75Å; I67-E69 PolarHBondContact O-N 3.27Å; I67-F70 PolarHBondContact O-N 3.19Å; I67-F71 HydrophobicContact CG2-CD2 4.18Å; I67-F71 HydrophobicContact CG2-CE2 4.28Å
68	G	63.1	Low	59.3	Low	56 Å²	56	105.9 Å²	105.9	58%	0.577	57%	0.574	S	S	*	*	H	α-helix	trans	-69	-5.4	177	0	0	0	0	0	115.2	L66	L66-G68 PolarHBondContact O-N 3.03Å
69	E	62.9	Low	57.7	Low	164 Å²	164	106.1 Å²	106.1	77%	0.766	57%	0.571	S	S	*	*	H	α-helix	trans	-98.7	-13.5	176.3	-164.7	167.8	-152.8	0	0	112.3	L66 I67	L66-E69 WeakPolarHBondContact O-CB 3.1Å; L66-E69 PolarHBondContact O-N 3.01Å; I67-E69 PolarHBondContact O-N 3.27Å
70	F	55.8	Low	56.1	Low	102 Å²	102	108 Å²	108	45%	0.447	58%	0.575	S	S	.	*	H	α-helix	trans	-109	-7.9	-176.4	-165.1	-136.3	0	0	0	114.7	R52 I67	R52-F70 HydrophobicContact CB-CD1 4.35Å; R52-F70 HydrophobicContact CB-CE1 3.59Å; R52-F70 HydrophobicContact CB-CZ 4.29Å; R52-F70 HydrophobicContact CG-CE1 3.79Å; R52-F70 HydrophobicContact CG-CZ 3.96Å; I67-F70 PolarHBondContact O-N 3.19Å
71	F	58.6	Low	55.2	Low	34 Å²	34	111.1 Å²	111.1	15%	0.149	59%	0.59	C	S	.	*	S	Bend	trans	-117.5	138.7	166.7	-66.6	-101.6	0	0	0	108.3	Q49 L53 I67 I73	Q49-F71 HydrophobicContact CB-CE1 4.43Å; Q49-F71 HydrophobicContact CG-CE1 4.22Å; L53-F71 HydrophobicContact CD2-CE2 3.67Å; L53-F71 HydrophobicContact CD2-CZ 3.72Å; L53-F71 HydrophobicContact CG-CE2 4.31Å; L53-F71 HydrophobicContact CG-CZ 3.88Å; I67-F71 HydrophobicContact CG2-CD2 4.18Å; I67-F71 HydrophobicContact CG2-CE2 4.28Å; F71-I73 HydrophobicContact CB-CB 4.45Å; F71-I73 HydrophobicContact CB-CD1 3.77Å; F71-I73 HydrophobicContact CB-CG1 3.85Å; F71-I73 HydrophobicContact CG-CD1 4.24Å; F71-I73 PolarHBondContact O-N 3.31Å
72	D	57.1	Low	54.3	Low	180 Å²	180	118.7 Å²	118.7	96%	0.963	61%	0.613	S	S	*	*			trans	-70.7	41.8	169.9	-61.1	-76.9	0	0	0	112.5
73	I	51.8	Low	52.8	Low	92 Å²	92	118.4 Å²	118.4	47%	0.472	61%	0.611	S	S	.	*			trans	-80.7	120.4	169.6	-66.8	166.6	0	0	0	106.8	F71 E75 I76	F71-I73 HydrophobicContact CB-CB 4.45Å; F71-I73 HydrophobicContact CB-CD1 3.77Å; F71-I73 HydrophobicContact CB-CG1 3.85Å; F71-I73 HydrophobicContact CG-CD1 4.24Å; F71-I73 PolarHBondContact O-N 3.31Å; I73-E75 PolarHBondContact O-N 3.32Å; I73-I76 HydrophobicContact CG2-CG1 4.47Å
74	P	48	Very low	51.9	Low	122 Å²	122	116.3 Å²	116.3	79%	0.792	62%	0.617	S	S	*	*			trans	-69	95	177.1	27.9	-34	0	0	0	110.9	I76	P74-I76 PolarHBondContact O-N 2.85Å
75	E	43.1	Very low	50.9	Low	154 Å²	154	118.6 Å²	118.6	72%	0.72	63%	0.625	S	S	*	*			trans	34.5	72.4	159.4	-154.2	-161	154.8	0	0	116.3	I73 S77	I73-E75 PolarHBondContact O-N 3.32Å; E75-S77 PolarHBondContact O-N 2.84Å; E75-S77 WeakPolarHBondContact OE1-CB 3.42Å; E75-S77 PolarHBondContact OE1-OG 2.97Å
76	I	39.9	Very low	49.9	Very low	152 Å²	152	118.4 Å²	118.4	78%	0.779	63%	0.632	S	S	*	*			trans	-74.1	71.6	153.4	-52.4	-178.3	0	0	0	107.5	I73 P74 P78	I73-I76 HydrophobicContact CG2-CG1 4.47Å; P74-I76 PolarHBondContact O-N 2.85Å; I76-P78 WeakPolarHBondContact O-CD 3.28Å; I76-P78 VanDerWaalsContact O-N 3.16Å
77	S	38.5	Very low	49.2	Very low	48 Å²	48	121.6 Å²	121.6	34%	0.336	65%	0.654	S	S	.	*			trans	-52.4	115	-174.5	-156.1	0	0	0	0	110.5	E75 K79	E75-S77 PolarHBondContact O-N 2.84Å; E75-S77 WeakPolarHBondContact OE1-CB 3.42Å; E75-S77 PolarHBondContact OE1-OG 2.97Å; S77-K79 PolarHBondContact O-N 2.73Å
78	P	48.6	Very low	48.6	Very low	100 Å²	100	125.4 Å²	125.4	65%	0.649	68%	0.675	S	S	*	*			trans	-73	82.5	172.9	30.6	-33.1	0	0	0	108	I76 S80	I76-P78 WeakPolarHBondContact O-CD 3.28Å; I76-P78 VanDerWaalsContact O-N 3.16Å; P78-S80 PolarHBondContact O-N 3.04Å; P78-S80 PolarHBondContact O-OG 3.2Å
79	K	44.2	Very low	48.2	Very low	170 Å²	170	128.4 Å²	128.4	74%	0.739	68%	0.684	S	S	*	*			trans	-67.3	65.1	174.6	-74	-174.3	178.3	177	0	110.9	S77 H81	S77-K79 PolarHBondContact O-N 2.73Å; K79-H81 PolarHBondContact O-N 2.89Å
80	S	40.9	Very low	48	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	69%	0.687	S	S	*	*			trans	-71.6	53.8	165.2	56.2	0	0	0	0	109.8	P78 K82	P78-S80 PolarHBondContact O-N 3.04Å; P78-S80 PolarHBondContact O-OG 3.2Å; S80-K82 VanDerWaalsContact C-N 3.3Å; S80-K82 PolarHBondContact O-N 2.96Å
81	H	46.4	Very low	48.1	Very low	169 Å²	169	130.2 Å²	130.2	78%	0.782	70%	0.701	S	S	*	*			trans	-54.9	105.7	155.4	-92.2	-70.5	0	0	0	106.3	K79 N83	K79-H81 PolarHBondContact O-N 2.89Å; H81-N83 PolarHBondContact O-N 3.39Å
82	K	47.3	Very low	47.7	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	73%	0.733	S	S	*	*			trans	-46.9	105.5	172.2	-65.6	167.9	-177.5	172.4	0	106.6	S80 P84	S80-K82 VanDerWaalsContact C-N 3.3Å; S80-K82 PolarHBondContact O-N 2.96Å; K82-P84 WeakPolarHBondContact O-CD 3.38Å
83	N	35.5	Very low	47.3	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	73%	0.728	S	S	*	*			trans	-56.2	109.9	178.6	-176	4.7	0	0	0	106.3	H81 K85	H81-N83 PolarHBondContact O-N 3.39Å; N83-K85 PolarHBondContact O-N 3.04Å; N83-K85 VanDerWaalsContact O-N 3.16Å
84	P	49.3	Very low	47.5	Very low	107 Å²	107	136.2 Å²	136.2	70%	0.695	74%	0.744	S	S	*	*			trans	-61.6	127.3	-177.5	26.5	-32.6	0	0	0	106.1	K82 S86	K82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-S86 PolarHBondContact O-N 3.44Å
85	K	44.3	Very low	47.6	Very low	190 Å²	190	140.8 Å²	140.8	83%	0.826	75%	0.745	S	S	*	*			trans	-26.2	125.3	-174.4	-64.5	171	-179.7	173.8	0	110.9	N83 V87	N83-K85 PolarHBondContact O-N 3.04Å; N83-K85 VanDerWaalsContact O-N 3.16Å; K85-V87 HydrophobicContact CB-CG2 4.38Å; K85-V87 PolarHBondContact O-N 3.47Å
86	S	45.7	Very low	48	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	75%	0.745	S	S	*	*			trans	-64.4	81.1	171.9	41.3	0	0	0	0	109.7	P84 N88	P84-S86 PolarHBondContact O-N 3.44Å; S86-N88 PolarHBondContact O-N 2.68Å
87	V	49.7	Very low	48.7	Very low	120 Å²	120	140.7 Å²	140.7	73%	0.727	74%	0.743	S	S	*	*			trans	-70	85.4	170	179.4	0	0	0	0	105.7	K85 P89	K85-V87 HydrophobicContact CB-CG2 4.38Å; K85-V87 PolarHBondContact O-N 3.47Å; V87-P89 VanDerWaalsContact O-CD 3.25Å; V87-P89 WeakPolarHBondContact O-CD 3.4Å; V87-P89 VanDerWaalsContact O-N 3.12Å
88	N	50.1	Low	49.3	Very low	135 Å²	135	144.9 Å²	144.9	72%	0.722	76%	0.762	S	S	*	*			trans	-46.4	119.3	159.4	-85.2	-31.9	0	0	0	107	S86 K90	S86-N88 PolarHBondContact O-N 2.68Å; N88-K90 PolarHBondContact O-N 3.01Å
89	P	55.5	Low	49.8	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	77%	0.766	S	S	*	*			trans	-61.5	105.6	173.2	-20.8	33.5	0	0	0	107.6	V87	V87-P89 VanDerWaalsContact O-CD 3.25Å; V87-P89 WeakPolarHBondContact O-CD 3.4Å; V87-P89 VanDerWaalsContact O-N 3.12Å
90	K	56.9	Low	50.3	Low	189 Å²	189	142.7 Å²	142.7	82%	0.822	76%	0.762	S	S	*	*			trans	-61.5	133.9	165.6	-76	-174.3	174.2	-176.1	0	107	N88 C92	N88-K90 PolarHBondContact O-N 3.01Å; K90-C92 PolarHBondContact O-N 3.48Å; K90-C92 VanDerWaalsContact O-N 3.16Å
91	P	58.3	Low	51	Low	115 Å²	115	144.4 Å²	144.4	75%	0.747	77%	0.768	S	S	*	*			trans	-51.8	124	165.5	-25.2	35.1	0	0	0	109.1	D93	P91-D93 VanDerWaalsContact C-N 3.33Å; P91-D93 PolarHBondContact O-N 2.96Å; P91-D93 VanDerWaalsContact O-N 3.11Å
92	C	51.1	Low	51.2	Low	121 Å²	121	140 Å²	140	82%	0.818	76%	0.761	S	S	*	*			trans	-84.2	79.9	179.1	52.2	0	0	0	0	109.6	K90 D94	K90-C92 PolarHBondContact O-N 3.48Å; K90-C92 VanDerWaalsContact O-N 3.16Å; C92-D94 PolarHBondContact O-N 3.33Å
93	D	49.2	Very low	51.5	Low	162 Å²	162	139.9 Å²	139.9	87%	0.866	76%	0.761	S	S	*	*			trans	-67.8	78.7	163.5	-75.8	-43.5	0	0	0	109.4	P91	P91-D93 VanDerWaalsContact C-N 3.33Å; P91-D93 PolarHBondContact O-N 2.96Å; P91-D93 VanDerWaalsContact O-N 3.11Å
94	D	54.1	Low	52.2	Low	149 Å²	149	138.3 Å²	138.3	80%	0.797	76%	0.756	S	S	*	*			trans	-119.2	143.8	171.8	-143.8	-24	0	0	0	111.8	C92	C92-D94 PolarHBondContact O-N 3.33Å
95	R	50.4	Low	52.2	Low	218 Å²	218	141.2 Å²	141.2	82%	0.823	76%	0.76	S	S	*	*			trans	-108.4	142.3	-165.8	-57.6	168.4	177.1	167	-2.7	109.6
96	N	52.4	Low	52.1	Low	134 Å²	134	144.1 Å²	144.1	72%	0.717	77%	0.766	S	S	*	*				175.1	131	126.4	-100.6	-70.9	0	0	0	112.7
97	K	54.2	Low	52.4	Low	170 Å²	170	144.3 Å²	144.3	74%	0.739	77%	0.767	S	S	*	*			trans	67.5	150	145.4	-62.2	176.2	-173.1	-178.5	0	117.4
98	D	51.2	Low	51.9	Low	136 Å²	136	148.2 Å²	148.2	73%	0.727	77%	0.769	S	S	*	*			cis	-133.8	132.3	15.6	-83.5	-67	0	0	0	114.7
99	V	58.7	Low	52	Low	121 Å²	121	149.4 Å²	149.4	73%	0.733	77%	0.773	S	S	*	*				32.6	137.3	116.3	-176.2	0	0	0	0	119.3
100	P	55.1	Low	52	Low	102 Å²	102	149.5 Å²	149.5	66%	0.662	76%	0.764	S	S	*	*			cis	-142.9	175.2	-30.4	39.4	-19.9	0	0	0	115.3
101	T	54.5	Low	51.7	Low	138 Å²	138	146.1 Å²	146.1	85%	0.847	76%	0.761	S	S	*	*				170.7	147.7	120.2	33.1	0	0	0	0	115.9
102	A	51.2	Low	50.9	Low	76 Å²	76	146.8 Å²	146.8	63%	0.628	77%	0.768	S	S	*	*			trans	67.2	108.7	145.8	0	0	0	0	0	123.9
103	K	53.8	Low	50.7	Low	196 Å²	196	144.3 Å²	144.3	85%	0.852	76%	0.763	S	S	*	*			trans	77	142.8	132.1	-61.7	170.3	-173.5	175.1	0	120
104	T	50.3	Low	50.4	Low	102 Å²	102	145.2 Å²	145.2	63%	0.626	76%	0.762	S	S	*	*			cis	-162.2	163.8	-23.8	-55	0	0	0	0	108.7
105	H	48.9	Very low	50.1	Low	168 Å²	168	143.3 Å²	143.3	78%	0.778	76%	0.761	S	S	*	*			trans	75.9	123.1	173	-49.7	-84.4	0	0	0	114.8
106	R	43.6	Very low	50.1	Low	251 Å²	251	140.9 Å²	140.9	95%	0.947	76%	0.763	S	S	*	*			cis	62.4	133	45.1	-66.4	-169.7	173.7	-169.4	-0.1	112.9
107	S	50.7	Low	50	Low	109 Å²	109	140.3 Å²	140.3	76%	0.762	77%	0.77	S	S	*	*			cis	-134.2	157.9	16	46.7	0	0	0	0	111.4
108	R	38.7	Very low	49.8	Very low	202 Å²	202	142.8 Å²	142.8	76%	0.762	77%	0.774	S	S	*	*			cis	68.5	109	48.9	-164.9	177.9	-163.8	162.9	10.1	116.7	E110	R108-E110 IonicContact CZ-OE1 3.16Å; R108-E110 IonicContact NE-OE1 2.59Å; R108-E110 PolarHBondContact NE-OE1 2.98Å; R108-E110 IonicContact NH2-OE1 2.69Å; R108-E110 PolarHBondContact NH2-OE1 3.06Å
109	I	54.1	Low	50.2	Low	159 Å²	159	146.4 Å²	146.4	82%	0.815	78%	0.783	S	S	*	*			trans	-173.1	106	148.8	-87.2	141.1	0	0	0	103.5
110	E	53.7	Low	49.6	Very low	122 Å²	122	145.7 Å²	145.7	57%	0.57	78%	0.775	S	S	*	*				69	129.8	77.7	-57.7	-53.8	156.6	0	0	115.5	R108	R108-E110 IonicContact CZ-OE1 3.16Å; R108-E110 IonicContact NE-OE1 2.59Å; R108-E110 PolarHBondContact NE-OE1 2.98Å; R108-E110 IonicContact NH2-OE1 2.69Å; R108-E110 PolarHBondContact NH2-OE1 3.06Å
111	P	51.8	Low	49.9	Very low	117 Å²	117	147.5 Å²	147.5	76%	0.76	79%	0.785	S	S	*	*			trans	-118.7	154.4	-169.8	41.7	-31.8	0	0	0	116.6
112	S	41.5	Very low	49.4	Very low	130 Å²	130	148.6 Å²	148.6	91%	0.909	78%	0.78	S	S	*	*			trans	-170.8	156.8	158.9	55.9	0	0	0	0	115
113	G	45.7	Very low	49.6	Very low	68 Å²	68	151.1 Å²	151.1	70%	0.701	79%	0.793	S	S	*	*			trans	95.1	152.1	162.7	0	0	0	0	0	116.7
114	E	43.4	Very low	49.7	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	80%	0.798	S	S	*	*			cis	172.9	177.9	-31.1	-114	-166.8	135	0	0	106.9
115	S	48	Very low	49.4	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	81%	0.81	S	S	*	*			trans	66.7	122.8	-172.7	74	0	0	0	0	114.5
116	L	50.5	Low	49.1	Very low	166 Å²	166	154.7 Å²	154.7	87%	0.869	82%	0.816	S	S	*	*			cis	74.2	99.7	33.8	-53.4	172.7	0	0	0	114.9
117	S	50.7	Low	49.5	Very low	123 Å²	123	149.5 Å²	149.5	86%	0.86	81%	0.812	S	S	*	*				-171.3	139.2	115.5	-166.3	0	0	0	0	113.8
118	R	50	Low	49.3	Very low	222 Å²	222	150.7 Å²	150.7	84%	0.838	82%	0.815	S	S	*	*			trans	-61.4	156.1	177.9	-54.2	158.9	-179.1	140.9	-0.6	113
119	K	59	Low	49.7	Very low	211 Å²	211	146.2 Å²	146.2	92%	0.917	82%	0.815	S	S	*	*				-151.3	125.2	125.1	-147.6	163.6	-171.3	172.5	0	113
120	D	45.4	Very low	49.4	Very low	106 Å²	106	143.8 Å²	143.8	57%	0.567	81%	0.808	S	S	*	*			trans	-76.5	157.6	176.1	-52	-105.3	0	0	0	112.6
121	T	61.5	Low	49.2	Very low	141 Å²	141	145.2 Å²	145.2	87%	0.865	81%	0.814	S	S	*	*			trans	-160.8	155.8	134.4	23.3	0	0	0	0	109.4
122	H	45.5	Very low	48.7	Very low	160 Å²	160	150 Å²	150	74%	0.741	82%	0.817	S	S	*	*			trans	-134.6	130.3	-162.6	0.1	-98.5	0	0	0	110.8
123	S	54.8	Low	49.1	Very low	130 Å²	130	150.1 Å²	150.1	91%	0.909	81%	0.807	S	S	*	*			trans	-136.3	142.6	171	-90.6	0	0	0	0	110.8
124	K	55.8	Low	49	Very low	217 Å²	217	157.2 Å²	157.2	94%	0.943	81%	0.813	S	S	*	*			trans	-97.3	129.3	-169	-63.3	164	-177.6	168.2	0	110.3
125	G	44.6	Very low	49.1	Very low	86 Å²	86	156.2 Å²	156.2	89%	0.887	81%	0.808	S	S	*	*			trans	-134.1	75.9	176.2	0	0	0	0	0	111.4
126	R	41.7	Very low	49.2	Very low	237 Å²	237	156.7 Å²	156.7	89%	0.894	81%	0.812	S	S	*	*			trans	-103.9	116.6	-172.7	173.9	-175.2	177.2	177.2	-1	111.2
127	T	51.6	Low	49.2	Very low	143 Å²	143	157.9 Å²	157.9	88%	0.877	81%	0.81	S	S	*	*			trans	-160.1	128.9	142.9	16.2	0	0	0	0	111.2
128	T	46.7	Very low	48.9	Very low	134 Å²	134	157.8 Å²	157.8	82%	0.822	81%	0.809	S	S	*	*			trans	-101	131.8	168.7	48.2	0	0	0	0	109
129	S	47.3	Very low	48.9	Very low	108 Å²	108	153 Å²	153	76%	0.755	81%	0.81	S	S	*	*			trans	-129.9	87.5	170.7	-167.2	0	0	0	0	110.9	H131	S129-H131 PolarHBondContact O-N 2.92Å
130	T	48.3	Very low	48.4	Very low	108 Å²	108	149.3 Å²	149.3	66%	0.663	81%	0.805	S	S	*	*			trans	-99	77.4	177.3	-53.2	0	0	0	0	108.8	R132	T130-R132 VanDerWaalsContact C-N 3.34Å; T130-R132 PolarHBondContact O-N 3.25Å
131	H	49.2	Very low	48.1	Very low	152 Å²	152	149.4 Å²	149.4	70%	0.704	81%	0.812	S	S	*	*			trans	-77.3	78.3	-170.6	-154.4	-77	0	0	0	113	S129	S129-H131 PolarHBondContact O-N 2.92Å
132	R	42.3	Very low	47.6	Very low	217 Å²	217	147.3 Å²	147.3	82%	0.819	80%	0.803	S	S	*	*			trans	-92.6	106.3	166.5	-67.9	-178.9	-177.6	132.3	-2.9	109.6	T130	T130-R132 VanDerWaalsContact C-N 3.34Å; T130-R132 PolarHBondContact O-N 3.25Å
133	N	48.8	Very low	47.7	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	80%	0.8	S	S	*	*			trans	-103.8	130	158.8	-84.5	4.1	0	0	0	109.8
134	R	44.4	Very low	47.4	Very low	217 Å²	217	146.2 Å²	146.2	82%	0.819	79%	0.788	S	S	*	*			trans	-90.1	178.3	154.3	-76.1	-176	165.3	122.3	-6	108.4
135	E	45.2	Very low	46.8	Very low	162 Å²	162	141.6 Å²	141.6	76%	0.757	77%	0.774	S	S	*	*			trans	63.3	141.5	-176.7	-70.4	58.3	-108.9	0	0	113
136	S	50.7	Low	47.1	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	77%	0.765	S	S	*	*			cis	-121.4	161.9	13.2	-70.5	0	0	0	0	113.5
137	K	49.6	Very low	47	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	76%	0.762	S	S	*	*			trans	-80.8	173.9	169.2	-62.7	170.6	-177.1	171.9	0	110.4
138	S	45.5	Very low	46.8	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	75%	0.745	S	S	*	*			trans	58.4	100.9	168.1	61	0	0	0	0	118.1
139	S	49.9	Very low	46.7	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	74%	0.743	S	S	*	*				-131.9	149	129.3	56.5	0	0	0	0	109.1
140	V	48.5	Very low	46.7	Very low	134 Å²	134	141.5 Å²	141.5	81%	0.812	74%	0.741	S	S	*	*			trans	-72.3	146.8	-163.4	-179.2	0	0	0	0	111.9	S142	V140-S142 PolarHBondContact O-N 3.23Å
141	C	39.3	Very low	46.6	Very low	108 Å²	108	141.2 Å²	141.2	73%	0.73	74%	0.743	S	S	*	*			trans	-70.8	105.9	165.2	-179.1	0	0	0	0	109.3	Q143	C141-Q143 PolarHBondContact O-N 2.98Å; C141-Q143 VanDerWaalsContact O-N 3.16Å
142	S	49.9	Very low	46.4	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	74%	0.743	S	S	*	*			trans	-75.6	98.4	166.3	-65.3	0	0	0	0	109.3	V140 N144	V140-S142 PolarHBondContact O-N 3.23Å; S142-N144 PolarHBondContact O-N 3.33Å
143	Q	47.4	Very low	46.8	Very low	144 Å²	144	134.8 Å²	134.8	67%	0.673	74%	0.737	S	S	*	*			trans	-62.6	101.6	158.7	-79.5	171.4	-124	0	0	108.6	C141 D145	C141-Q143 PolarHBondContact O-N 2.98Å; C141-Q143 VanDerWaalsContact O-N 3.16Å; Q143-D145 WeakPolarHBondContact CB-OD2 3.34Å; Q143-D145 PolarHBondContact NE2-OD2 3.47Å; Q143-D145 PolarHBondContact O-N 2.81Å
144	N	48.1	Very low	46.5	Very low	122 Å²	122	138 Å²	138	65%	0.652	74%	0.74	S	S	*	*			trans	-86.3	74.4	165.4	-70.7	3.4	0	0	0	107.4	S142 N146	S142-N144 PolarHBondContact O-N 3.33Å; N144-N146 PolarHBondContact O-N 3Å
145	D	43.2	Very low	46.7	Very low	121 Å²	121	134.5 Å²	134.5	65%	0.647	74%	0.736	S	S	*	*			trans	-72.1	66.7	176.7	-68.3	-36.5	0	0	0	109.7	Q143 E147	Q143-D145 WeakPolarHBondContact CB-OD2 3.34Å; Q143-D145 PolarHBondContact NE2-OD2 3.47Å; Q143-D145 PolarHBondContact O-N 2.81Å; D145-E147 PolarHBondContact O-N 3.5Å
146	N	51.3	Low	46.4	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	73%	0.726	S	S	*	*			trans	-84.5	93	-177.4	-68.4	13.3	0	0	0	109.2	N144 S148	N144-N146 PolarHBondContact O-N 3Å; N146-S148 PolarHBondContact O-N 2.89Å
147	E	39.6	Very low	46.5	Very low	175 Å²	175	130.4 Å²	130.4	82%	0.818	72%	0.723	S	S	*	*			trans	-65.2	72.5	174.2	-65.5	-174.1	119.8	0	0	112.6	D145	D145-E147 PolarHBondContact O-N 3.5Å
148	S	47.4	Very low	46.3	Very low	74 Å²	74	130.2 Å²	130.2	52%	0.517	72%	0.722	S	S	.	*			trans	-88.3	105.6	167.6	-166.8	0	0	0	0	109.5	N146 H150	N146-S148 PolarHBondContact O-N 2.89Å; S148-H150 PolarHBondContact O-N 3.4Å; S148-H150 PolarHBondContact OG-CD2 2.87Å; S148-H150 PolarHBondContact OG-NE2 3.27Å
149	H	44	Very low	46.3	Very low	168 Å²	168	130.2 Å²	130.2	78%	0.778	72%	0.717	S	S	*	*			trans	-69.6	64.7	176.1	-71.7	-93.2	0	0	0	112.2	S151	H149-S151 VanDerWaalsContact C-N 3.35Å; H149-S151 PolarHBondContact O-N 2.87Å
150	H	48.9	Very low	45.9	Very low	156 Å²	156	131.8 Å²	131.8	72%	0.722	72%	0.716	S	S	*	*			trans	-71.3	93.3	167.1	-69.1	-62.9	0	0	0	109.3	S148 S152	S148-H150 PolarHBondContact O-N 3.4Å; S148-H150 PolarHBondContact OG-CD2 2.87Å; S148-H150 PolarHBondContact OG-NE2 3.27Å; H150-S152 VanDerWaalsContact C-N 3.28Å; H150-S152 PolarHBondContact O-N 3.1Å
151	S	45.1	Very low	46	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	71%	0.714	S	S	*	*			trans	-61	89	168	42.4	0	0	0	0	109.9	H149 I153	H149-S151 VanDerWaalsContact C-N 3.35Å; H149-S151 PolarHBondContact O-N 2.87Å; S151-I153 VanDerWaalsContact C-N 3.26Å; S151-I153 PolarHBondContact O-N 2.73Å
152	S	45.8	Very low	46.1	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	72%	0.722	S	S	*	*			trans	-65.2	89.4	169.3	-172.7	0	0	0	0	108.7	H150 Y154	H150-S152 VanDerWaalsContact C-N 3.28Å; H150-S152 PolarHBondContact O-N 3.1Å; S152-Y154 VanDerWaalsContact C-N 3.32Å; S152-Y154 PolarHBondContact O-N 2.81Å
153	I	51.4	Low	45.7	Very low	133 Å²	133	140.6 Å²	140.6	68%	0.682	73%	0.725	S	S	*	*			trans	-69.9	97.2	171.8	-53.3	-175.7	0	0	0	106.4	S151 I155	S151-I153 VanDerWaalsContact C-N 3.26Å; S151-I153 PolarHBondContact O-N 2.73Å; I153-I155 HydrophobicContact CB-CG1 4.45Å; I153-I155 HydrophobicContact CG2-CD1 4.2Å; I153-I155 HydrophobicContact CG2-CG1 3.68Å; I153-I155 PolarHBondContact O-N 3.3Å
154	Y	40.7	Very low	45.6	Very low	199 Å²	199	141.5 Å²	141.5	78%	0.78	73%	0.726	S	S	*	*			trans	-73	75.6	-178.4	-138.8	-87.3	0	0	0	109.8	S152 S156	S152-Y154 VanDerWaalsContact C-N 3.32Å; S152-Y154 PolarHBondContact O-N 2.81Å; Y154-S156 PolarHBondContact O-N 2.7Å
155	I	48.5	Very low	45	Very low	144 Å²	144	146.2 Å²	146.2	74%	0.738	74%	0.737	S	S	*	*			trans	-76.3	77.3	176	-51.4	-177	0	0	0	108.6	I153	I153-I155 HydrophobicContact CB-CG1 4.45Å; I153-I155 HydrophobicContact CG2-CD1 4.2Å; I153-I155 HydrophobicContact CG2-CG1 3.68Å; I153-I155 PolarHBondContact O-N 3.3Å
156	S	40.4	Very low	45	Very low	76 Å²	76	145.3 Å²	145.3	53%	0.531	73%	0.732	S	S	.	*			trans	-58.3	123.4	169.8	-59.1	0	0	0	0	109.5	Y154 K158	Y154-S156 PolarHBondContact O-N 2.7Å; S156-K158 PolarHBondContact O-N 2.9Å
157	P	52.9	Low	44.4	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	73%	0.734	S	S	*	*			trans	-66.1	109.8	179.9	25.7	-33	0	0	0	109.9	T159	P157-T159 PolarHBondContact O-N 2.99Å
158	K	44.7	Very low	44.6	Very low	187 Å²	187	144 Å²	144	81%	0.813	74%	0.738	S	S	*	*			trans	-67.8	114.4	173.8	-72.6	-175.9	179	178.7	0	108.8	S156 N160	S156-K158 PolarHBondContact O-N 2.9Å; K158-N160 VanDerWaalsContact C-N 3.34Å; K158-N160 PolarHBondContact O-N 2.89Å
159	T	46.5	Very low	44.2	Very low	121 Å²	121	146 Å²	146	74%	0.742	75%	0.752	S	S	*	*			trans	-70.5	87.6	179.5	42.6	0	0	0	0	110.9	P157 K161	P157-T159 PolarHBondContact O-N 2.99Å; T159-K161 PolarHBondContact O-N 2.8Å
160	N	41.4	Very low	43.9	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	75%	0.753	S	S	*	*			trans	-67.8	77	174.2	-78.2	-22	0	0	0	110.7	K158 K162	K158-N160 VanDerWaalsContact C-N 3.34Å; K158-N160 PolarHBondContact O-N 2.89Å; N160-K162 PolarHBondContact O-N 3.22Å; N160-K162 VanDerWaalsContact O-N 3.12Å
161	K	49.1	Very low	43.6	Very low	178 Å²	178	146.4 Å²	146.4	77%	0.774	76%	0.762	S	S	*	*			trans	-59.5	115.5	172	-74.4	-177.4	177.6	177.3	0	109	T159 L163	T159-K161 PolarHBondContact O-N 2.8Å; K161-L163 PolarHBondContact O-N 2.91Å
162	K	42.7	Very low	43.3	Very low	206 Å²	206	148.2 Å²	148.2	90%	0.896	77%	0.769	S	S	*	*			trans	-57.9	89	-179.8	-176.3	178	-178.3	174.3	0	111.6	N160 K164	N160-K162 PolarHBondContact O-N 3.22Å; N160-K162 VanDerWaalsContact O-N 3.12Å; K162-K164 PolarHBondContact O-N 2.91Å
163	L	41.4	Very low	42.8	Very low	141 Å²	141	148.4 Å²	148.4	74%	0.738	77%	0.77	S	S	*	*			trans	-71.4	115.2	171.3	-74.6	175.3	0	0	0	109.8	K161 Y165	K161-L163 PolarHBondContact O-N 2.91Å; L163-Y165 PolarHBondContact O-N 2.87Å
164	K	44.3	Very low	42.7	Very low	162 Å²	162	150 Å²	150	70%	0.704	78%	0.779	S	S	*	*			trans	-69.3	119.3	164.4	-116.3	171.7	154.5	-90.7	0	108	K162 D166	K162-K164 PolarHBondContact O-N 2.91Å; K164-D166 WeakPolarHBondContact CD-OD2 3.36Å; K164-D166 IonicContact NZ-OD1 2.73Å; K164-D166 IonicContact NZ-OD2 3.1Å; K164-D166 PolarHBondContact NZ-OD2 2.85Å; K164-D166 PolarHBondContact O-N 2.96Å
165	Y	36.5	Very low	43	Very low	221 Å²	221	147.1 Å²	147.1	87%	0.867	78%	0.777	S	S	*	*			trans	-86.6	88.4	164.7	-79.2	-79.7	0	0	0	109.2	L163	L163-Y165 PolarHBondContact O-N 2.87Å
166	D	41.7	Very low	43	Very low	103 Å²	103	147.2 Å²	147.2	55%	0.551	78%	0.778	S	S	*	*			trans	-107.1	100.6	168.4	-74.1	-63.9	0	0	0	110.2	K164	K164-D166 WeakPolarHBondContact CD-OD2 3.36Å; K164-D166 IonicContact NZ-OD1 2.73Å; K164-D166 IonicContact NZ-OD2 3.1Å; K164-D166 PolarHBondContact NZ-OD2 2.85Å; K164-D166 PolarHBondContact O-N 2.96Å
167	S	39.7	Very low	43.7	Very low	107 Å²	107	150.5 Å²	150.5	75%	0.748	79%	0.79	S	S	*	*			trans	71.3	154.9	150.7	-51.7	0	0	0	0	122.1
168	L	43.2	Very low	43.7	Very low	172 Å²	172	152.4 Å²	152.4	90%	0.901	79%	0.794	S	S	*	*			trans	92.8	146	160.9	-52.8	-178.8	0	0	0	119.3
169	S	39.3	Very low	44.9	Very low	116 Å²	116	153 Å²	153	81%	0.811	80%	0.799	S	S	*	*			trans	-109.2	167.5	-159.4	-51.5	0	0	0	0	112.7
170	P	38.4	Very low	45.2	Very low	123 Å²	123	153.6 Å²	153.6	80%	0.799	80%	0.798	S	S	*	*			trans	-89.8	171.9	-158.7	36.3	-37.2	0	0	0	115.2
171	K	42.3	Very low	45.9	Very low	211 Å²	211	151 Å²	151	92%	0.917	79%	0.787	S	S	*	*			trans	-134.5	160	161.6	-81.1	-165.1	173.1	-172.4	0	111.6
172	T	38.3	Very low	46	Very low	139 Å²	139	149 Å²	149	85%	0.853	79%	0.785	S	S	*	*			trans	-105.8	142.4	-168.2	49.4	0	0	0	0	113.2
173	S	36.6	Very low	46.5	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	78%	0.779	S	S	*	*			trans	-177.6	115.4	147.5	53.4	0	0	0	0	111.1
174	I	48.2	Very low	47.2	Very low	167 Å²	167	147 Å²	147	86%	0.856	79%	0.785	S	S	*	*			trans	-142	112.9	151.9	-63.3	-175.4	0	0	0	105.5
175	D	46.2	Very low	47.7	Very low	138 Å²	138	147.1 Å²	147.1	74%	0.738	79%	0.793	S	S	*	*			trans	-82.5	157.3	169.5	-46.9	-75.7	0	0	0	109.8
176	N	50.1	Low	48.4	Very low	145 Å²	145	142.1 Å²	142.1	78%	0.775	79%	0.785	S	S	*	*			trans	-175.9	138.9	147.6	-95.1	-12	0	0	0	111.8
177	D	55.4	Low	48.5	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	80%	0.803	S	S	*	*			trans	58.4	110.9	152.1	-50.9	-35.4	0	0	0	120.9
178	D	52.4	Low	49	Very low	159 Å²	159	145.2 Å²	145.2	85%	0.85	79%	0.793	S	S	*	*			trans	-69.4	141.8	163.6	-60	-75.9	0	0	0	112.3
179	H	69.5	Low	49.5	Very low	199 Å²	199	146.2 Å²	146.2	92%	0.921	79%	0.79	S	S	*	*			trans	-156.8	169.5	147.9	-103	-50.8	0	0	0	111.6
180	D	51.8	Low	49.6	Very low	135 Å²	135	148.1 Å²	148.1	72%	0.722	79%	0.786	S	S	*	*			trans	-119.9	167	-143.7	-168.9	20.3	0	0	0	114.4
181	V	57.7	Low	50.1	Low	98 Å²	98	146.9 Å²	146.9	59%	0.594	78%	0.781	S	S	*	*			trans	47.3	113.4	164.4	-77.2	0	0	0	0	120.3
182	N	49.8	Very low	50.4	Low	136 Å²	136	140.7 Å²	140.7	73%	0.727	77%	0.768	S	S	*	*				171.7	130.7	96.2	-86.2	-58.2	0	0	0	114.4
183	D	53.9	Low	50.7	Low	145 Å²	145	145.6 Å²	145.6	78%	0.775	77%	0.772	S	S	*	*			trans	38.4	112.4	135.6	-58.8	1.3	0	0	0	122.5
184	D	55.8	Low	51.4	Low	161 Å²	161	148.6 Å²	148.6	86%	0.861	77%	0.771	S	S	*	*			trans	13	124.5	134.3	-67.1	-17.6	0	0	0	120
185	N	54.5	Low	51.4	Low	163 Å²	163	146.9 Å²	146.9	87%	0.872	76%	0.76	S	S	*	*			trans	-136.9	138.3	143.9	-166.5	7.3	0	0	0	111.5
186	V	50.7	Low	51.7	Low	116 Å²	116	147.4 Å²	147.4	70%	0.703	76%	0.762	S	S	*	*			trans	-107.5	125.2	-172.4	172.6	0	0	0	0	110.2
187	F	45.6	Very low	51.7	Low	210 Å²	210	146.4 Å²	146.4	92%	0.921	76%	0.764	S	S	*	*			trans	-153.7	158.7	140.7	-132.4	-94.3	0	0	0	111.5
188	A	48.7	Very low	51.1	Low	66 Å²	66	145.1 Å²	145.1	55%	0.545	77%	0.766	S	S	.	*			trans	-145.2	161.4	-165.1	0	0	0	0	0	113.9
189	K	54.2	Low	50.9	Low	193 Å²	193	147.5 Å²	147.5	84%	0.839	77%	0.769	S	S	*	*			trans	73.7	143.2	173.3	-54.5	164.1	-173.9	173.9	0	112.3
190	E	42.5	Very low	49.7	Very low	156 Å²	156	143.3 Å²	143.3	73%	0.729	76%	0.762	S	S	*	*				-152.8	171.9	54.6	-172.7	45.7	-115.9	0	0	113.7
191	S	47.3	Very low	49.6	Very low	97 Å²	97	144 Å²	144	68%	0.678	76%	0.764	S	S	*	*			trans	-42.7	168.9	172.6	-64.7	0	0	0	0	117.3
192	A	48.6	Very low	49.1	Very low	80 Å²	80	148 Å²	148	66%	0.661	78%	0.777	S	S	*	*			cis	170.5	175.1	-23.9	0	0	0	0	0	107.4
193	R	46.3	Very low	49	Very low	243 Å²	243	148.2 Å²	148.2	92%	0.917	78%	0.776	S	S	*	*			trans	74	157.5	172.5	-48.8	175.9	-172.2	-159.4	1.8	115.6
194	K	51.2	Low	48.7	Very low	168 Å²	168	148.1 Å²	148.1	73%	0.73	78%	0.776	S	S	*	*			cis	-173.6	156.3	-43.7	-132	-177.2	164.6	-145.8	0	108.1
195	E	46.2	Very low	48.3	Very low	131 Å²	131	149.9 Å²	149.9	61%	0.612	78%	0.776	S	S	*	*			trans	69.2	107	153.8	-74	155.7	-161.1	0	0	121.1
196	D	54.2	Low	47.9	Very low	148 Å²	148	151 Å²	151	79%	0.791	78%	0.776	S	S	*	*				75.2	132.3	123.1	-57.6	-0.3	0	0	0	123.2
197	P	48.5	Very low	47.8	Very low	124 Å²	124	151.8 Å²	151.8	81%	0.805	78%	0.781	S	S	*	*			trans	-98.7	119.4	180	36.4	-31.5	0	0	0	113.8
198	S	43.8	Very low	47.8	Very low	119 Å²	119	149 Å²	149	83%	0.832	77%	0.774	S	S	*	*			trans	-165.2	121.9	155.1	-87.5	0	0	0	0	111.9
199	K	48.9	Very low	47.4	Very low	209 Å²	209	155.3 Å²	155.3	91%	0.909	79%	0.793	S	S	*	*			trans	-140.1	94.4	163.3	-77.6	-166.2	174.7	179.5	0	110.8
200	S	43.4	Very low	47	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	79%	0.785	S	S	*	*			trans	-64.8	137.5	159.5	44.5	0	0	0	0	109.7
201	I	49.2	Very low	47.4	Very low	150 Å²	150	152.7 Å²	152.7	77%	0.769	79%	0.788	S	S	*	*			trans	-93	111.1	171.3	-61.9	175.7	0	0	0	107.5	I203	I201-I203 HydrophobicContact CG2-CD1 4.11Å; I201-I203 HydrophobicContact CG2-CG1 4.11Å
202	Q	47.1	Very low	47.3	Very low	183 Å²	183	155.2 Å²	155.2	86%	0.855	79%	0.794	S	S	*	*			trans	-113.7	101.8	166.5	-80.6	-170.2	-17.4	0	0	109
203	I	48.9	Very low	46.9	Very low	139 Å²	139	156 Å²	156	71%	0.713	79%	0.794	S	S	*	*			trans	-150.7	126	172.6	-50.3	174	0	0	0	104.8	I201	I201-I203 HydrophobicContact CG2-CD1 4.11Å; I201-I203 HydrophobicContact CG2-CG1 4.11Å
204	D	47.4	Very low	46.9	Very low	144 Å²	144	152.8 Å²	152.8	77%	0.77	79%	0.794	S	S	*	*			cis	-151.9	177.5	-24.3	44.7	22	0	0	0	107.4
205	K	47.8	Very low	46.6	Very low	198 Å²	198	152.2 Å²	152.2	86%	0.861	79%	0.794	S	S	*	*			trans	-140.3	151.9	177.8	-75.3	-171.3	178.1	-179.5	0	111.5
206	E	44.9	Very low	46.8	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	80%	0.797	S	S	*	*			trans	69.4	104.8	173.7	-56.4	-174.1	-179.8	0	0	116.1
207	T	48.5	Very low	46.2	Very low	131 Å²	131	156.9 Å²	156.9	80%	0.804	80%	0.799	S	S	*	*			trans	-146.9	104.3	157.6	-71.3	0	0	0	0	110.2
208	L	46.4	Very low	46.2	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	80%	0.797	S	S	*	*			trans	58.9	100.9	152.8	-55.6	176.5	0	0	0	120	T210	L208-T210 PolarHBondContact O-N 2.82Å
209	Q	39.3	Very low	46.3	Very low	200 Å²	200	158.7 Å²	158.7	94%	0.935	79%	0.792	S	S	*	*			trans	-62.9	122.3	150.4	-59.4	174.8	9.7	0	0	110
210	T	46.5	Very low	46.2	Very low	109 Å²	109	155 Å²	155	67%	0.669	79%	0.787	S	S	*	*			trans	-146.9	115.1	169.8	-36.8	0	0	0	0	114.6	L208	L208-T210 PolarHBondContact O-N 2.82Å
211	K	51.8	Low	46.3	Very low	185 Å²	185	155.1 Å²	155.1	80%	0.804	79%	0.785	S	S	*	*			trans	63.1	110.4	149	-75.6	-175.4	175	178.7	0	122.8
212	L	44.5	Very low	45.7	Very low	150 Å²	150	154 Å²	154	79%	0.785	79%	0.785	S	S	*	*				97.7	125.7	117.9	-114.7	81.8	0	0	0	121.6
213	S	39.8	Very low	45.3	Very low	95 Å²	95	151.2 Å²	151.2	66%	0.664	78%	0.781	S	S	*	*			trans	48.5	117	141	-62.5	0	0	0	0	120.7
214	L	46	Very low	44.7	Very low	176 Å²	176	150.8 Å²	150.8	92%	0.921	79%	0.785	S	S	*	*				-164.3	113.4	91	-97.5	170.5	0	0	0	111.3
215	E	46.5	Very low	44.5	Very low	157 Å²	157	149.7 Å²	149.7	73%	0.734	78%	0.784	S	S	*	*			trans	-89.9	148.3	166.3	-55.1	169.7	94.1	0	0	110.9
216	K	50	Low	44.4	Very low	156 Å²	156	146.6 Å²	146.6	68%	0.678	78%	0.775	S	S	*	*				168.6	125	108.2	-94	143.8	-166.2	165	0	114.6
217	R	41.2	Very low	44.5	Very low	221 Å²	221	143.9 Å²	143.9	83%	0.834	77%	0.774	S	S	*	*			trans	69.7	155.3	149	-60.6	172.6	163	142.4	-3.5	116.8
218	L	47.9	Very low	44.3	Very low	145 Å²	145	143.2 Å²	143.2	76%	0.759	77%	0.769	S	S	*	*			cis	-126.1	140	0.9	-78.3	84.1	0	0	0	112
219	D	45.6	Very low	43.9	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	77%	0.768	S	S	*	*				50.1	118.6	125.7	-42.4	-31	0	0	0	123.6
220	T	47.2	Very low	43.6	Very low	131 Å²	131	136.4 Å²	136.4	80%	0.804	76%	0.762	S	S	*	*			trans	-40	176.9	156.8	54.2	0	0	0	0	119.6
221	P	45.2	Very low	43.4	Very low	114 Å²	114	136 Å²	136	74%	0.74	77%	0.771	S	S	*	*			cis	-136.7	171.4	-18.6	27.8	-5.4	0	0	0	116.7
222	V	36.6	Very low	42.8	Very low	125 Å²	125	133.3 Å²	133.3	76%	0.758	77%	0.769	S	S	*	*			trans	-3.4	130.6	152.3	-174.1	0	0	0	0	119.4
223	T	40.1	Very low	42.6	Very low	125 Å²	125	132.1 Å²	132.1	77%	0.767	76%	0.762	S	S	*	*			trans	-150.3	128.7	139	-72.4	0	0	0	0	110
224	T	35.8	Very low	42.7	Very low	131 Å²	131	135.2 Å²	135.2	80%	0.804	77%	0.771	S	S	*	*			trans	-100.1	121.2	175.3	-61.1	0	0	0	0	109.5
225	T	42.2	Very low	42.5	Very low	121 Å²	121	132.4 Å²	132.4	74%	0.742	76%	0.755	S	S	*	*			trans	-128.7	131.8	177.8	-55.5	0	0	0	0	111.1
226	I	46.6	Very low	42.5	Very low	132 Å²	132	131.7 Å²	131.7	68%	0.677	76%	0.757	S	S	*	*			trans	-89.6	133.3	-178.3	-58.3	163.5	0	0	0	109.4	T228	I226-T228 PolarHBondContact O-N 3.1Å
227	P	47.7	Very low	42.1	Very low	131 Å²	131	130.5 Å²	130.5	85%	0.851	76%	0.757	S	S	*	*			trans	-80.9	98.3	174.9	31.5	-32.8	0	0	0	111.5
228	T	43.1	Very low	42.4	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	76%	0.756	S	S	*	*			trans	-109.1	123.2	177.4	-62.4	0	0	0	0	111.9	I226	I226-T228 PolarHBondContact O-N 3.1Å
229	S	37.5	Very low	42.3	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	75%	0.75	S	S	*	*	S	Bend	trans	54.4	103.3	155.8	-168.5	0	0	0	0	120.9
230	A	34.7	Very low	42	Very low	100 Å²	100	126.9 Å²	126.9	83%	0.826	75%	0.753	S	S	*	*			trans	43.1	102.9	136.5	0	0	0	0	0	121.2
231	A	41.9	Very low	41.9	Very low	102 Å²	102	127 Å²	127	84%	0.843	74%	0.744	S	S	*	*			trans	-163.8	154.9	164	0	0	0	0	0	111.3
232	V	38.5	Very low	41.7	Very low	127 Å²	127	129.5 Å²	129.5	77%	0.77	74%	0.743	S	S	*	*			cis	-164.8	146.5	-35	107	0	0	0	0	110.1
233	I	41	Very low	42.1	Very low	125 Å²	125	129 Å²	129	64%	0.641	74%	0.74	S	S	*	*			trans	39	130.7	160.5	-51.7	165.9	0	0	0	121.3	I235	I233-I235 HydrophobicContact CG2-CD1 3.58Å; I233-I235 HydrophobicContact CG2-CG1 4Å
234	L	40.9	Very low	42	Very low	161 Å²	161	130.1 Å²	130.1	84%	0.843	74%	0.742	S	S	*	*			trans	160.2	91.8	137.2	-87.6	159.4	0	0	0	108.5
235	I	43.1	Very low	42	Very low	117 Å²	117	130.3 Å²	130.3	60%	0.6	74%	0.743	S	S	*	*				81.3	106.4	72.4	-65.1	170	0	0	0	114.1	I233	I233-I235 HydrophobicContact CG2-CD1 3.58Å; I233-I235 HydrophobicContact CG2-CG1 4Å
236	D	45.1	Very low	42	Very low	142 Å²	142	128.7 Å²	128.7	76%	0.759	74%	0.742	S	S	*	*				-172.7	115.7	128.1	-94.7	-33.7	0	0	0	106.9
237	N	42	Very low	41.7	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	75%	0.746	S	S	*	*				68.5	127.4	81.1	-60.7	-36.2	0	0	0	112.2
238	D	47.8	Very low	41.5	Very low	150 Å²	150	130.9 Å²	130.9	80%	0.802	74%	0.741	S	S	*	*			cis	-146.3	165.2	25.3	-140.8	21.5	0	0	0	112.8
239	P	45	Very low	41.2	Very low	97 Å²	97	130.1 Å²	130.1	63%	0.63	74%	0.74	S	S	*	*			trans	-113.9	-179.8	-168.6	42.9	-35.8	0	0	0	115.1
240	F	40	Very low	41.1	Very low	179 Å²	179	131.2 Å²	131.2	79%	0.785	74%	0.742	S	S	*	*			trans	-160.1	119.7	136.7	-109.1	-75.1	0	0	0	113.7
241	Q	45	Very low	41.4	Very low	133 Å²	133	133.9 Å²	133.9	62%	0.621	74%	0.737	S	S	*	*			trans	20.3	143	140.8	-57.4	-176.4	31.2	0	0	119.6
242	K	42.1	Very low	41.2	Very low	168 Å²	168	138.2 Å²	138.2	73%	0.73	74%	0.737	S	S	*	*			cis	-175.3	177.7	18.3	-113.5	165.8	-177.2	155.2	0	106.1
243	V	44.3	Very low	41.2	Very low	114 Å²	114	140.4 Å²	140.4	69%	0.691	74%	0.739	S	S	*	*			cis	-159.6	166.9	-2.6	-95.5	0	0	0	0	104.5
244	N	36.7	Very low	40.9	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	75%	0.746	S	S	*	*			cis	-159.3	-176.6	-10.2	-110.3	16.9	0	0	0	107.8
245	T	36	Very low	41	Very low	134 Å²	134	140 Å²	140	82%	0.822	75%	0.747	S	S	*	*			trans	-125	144.4	-172.8	-52.6	0	0	0	0	114.6
246	A	42.3	Very low	40.6	Very low	88 Å²	88	139.9 Å²	139.9	73%	0.727	75%	0.748	S	S	*	*			trans	-157.1	131.5	146.5	0	0	0	0	0	107
247	E	40.8	Very low	40.3	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	75%	0.75	S	S	*	*				64.6	131.7	62.3	-77.5	-170.7	-151.4	0	0	113.1
248	I	42.6	Very low	40	Very low	143 Å²	143	137.7 Å²	137.7	73%	0.733	75%	0.754	S	S	*	*			cis	-158.1	164.6	34.5	-121.4	148.1	0	0	0	113.9
249	S	36.8	Very low	39.5	Very low	100 Å²	100	136 Å²	136	70%	0.699	75%	0.753	S	S	*	*			trans	32.6	116.7	160.5	-60.9	0	0	0	0	125.6
250	V	37.3	Very low	39.1	Very low	132 Å²	132	136 Å²	136	80%	0.8	76%	0.756	S	S	*	*				20	126	116.4	-172.9	0	0	0	0	120.5
251	E	39.6	Very low	39.2	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	76%	0.756	S	S	*	*			trans	-140.5	152.1	134.6	-173.4	167.6	179.9	0	0	110.7	Q253	E251-Q253 PolarHBondContact OE1-NE2 2.84Å
252	K	38.7	Very low	38.6	Very low	193 Å²	193	138.4 Å²	138.4	84%	0.839	77%	0.765	S	S	*	*			trans	-129	117.4	169.8	-68.8	179.9	-178.4	177.5	0	109.9
253	Q	38.4	Very low	38.7	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	77%	0.765	S	S	*	*			trans	-136.3	150.4	160.2	-66.1	-160.3	45.1	0	0	111.1	E251	E251-Q253 PolarHBondContact OE1-NE2 2.84Å
254	S	35.3	Very low	38.2	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	78%	0.775	S	S	*	*			trans	-109.8	135.9	-174.3	177.3	0	0	0	0	110
255	L	42.9	Very low	38.4	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	78%	0.776	S	S	*	*			trans	-137.8	139.8	155.6	-91	176.6	0	0	0	111.4
256	N	34.2	Very low	38.7	Very low	115 Å²	115	140.6 Å²	140.6	62%	0.615	78%	0.777	S	S	*	*			trans	-74.7	151.8	176.9	47.2	-4.7	0	0	0	112.4
257	N	39.1	Very low	38.7	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	78%	0.779	S	S	*	*				177	155.1	114.7	-84.3	-36.6	0	0	0	111
258	G	35.1	Very low	38.6	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	77%	0.771	S	S	*	*			trans	-102.7	-149.6	-172.3	0	0	0	0	0	114.9
259	S	37.8	Very low	38.4	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	78%	0.777	S	S	*	*			trans	83.5	83.2	-177.2	-162.9	0	0	0	0	116.8
260	S	36.1	Very low	38.7	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	78%	0.782	S	S	*	*			trans	4.1	122.4	131.1	-175.3	0	0	0	0	117.3
261	I	43.2	Very low	39.1	Very low	154 Å²	154	143 Å²	143	79%	0.79	78%	0.78	S	S	*	*			trans	-137.8	113.9	145.1	-44.1	176.3	0	0	0	107.5
262	Y	32.2	Very low	39.2	Very low	208 Å²	208	140.7 Å²	140.7	82%	0.816	78%	0.778	S	S	*	*			trans	-67.8	138.1	166.3	-94.2	-105.7	0	0	0	109.4
263	S	43.4	Very low	39	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	78%	0.776	S	S	*	*			trans	-141.4	112.1	165.1	-81	0	0	0	0	109.6	R265	S263-R265 PolarHBondContact O-N 2.82Å
264	N	34.4	Very low	39.2	Very low	169 Å²	169	133.7 Å²	133.7	90%	0.904	77%	0.769	S	S	*	*			trans	-63.2	104.1	177.7	-72.2	-48.3	0	0	0	109.7
265	R	41.1	Very low	39.2	Very low	217 Å²	217	136 Å²	136	82%	0.819	77%	0.767	S	S	*	*			trans	-120.1	131.8	166.8	-158.5	175.6	-163.9	-155.2	2.5	108.6	S263 M267	S263-R265 PolarHBondContact O-N 2.82Å; R265-M267 PolarHBondContact O-N 3.13Å
266	S	41.6	Very low	39.3	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	76%	0.761	S	S	*	*			trans	-60.7	101.9	176.2	-174.6	0	0	0	0	109.8
267	M	42	Very low	39.3	Very low	155 Å²	155	135.5 Å²	135.5	76%	0.764	77%	0.765	S	S	*	*			trans	-100.6	104.2	171.7	-69.2	-63.4	-70.2	0	0	107.2	R265	R265-M267 PolarHBondContact O-N 3.13Å
268	G	39.7	Very low	39.5	Very low	59 Å²	59	135.2 Å²	135.2	61%	0.608	76%	0.758	S	S	*	*			trans	-59.4	139	169.7	0	0	0	0	0	109.9	I270	G268-I270 PolarHBondContact O-N 2.79Å
269	L	38.5	Very low	39.4	Very low	163 Å²	163	142.4 Å²	142.4	85%	0.853	76%	0.763	S	S	*	*			trans	-73.3	73.2	-179.1	-65.8	176.4	0	0	0	111.2	L271	L269-L271 PolarHBondContact O-N 2.99Å
270	I	42.4	Very low	39.5	Very low	158 Å²	158	146.8 Å²	146.8	81%	0.81	76%	0.763	S	S	*	*			trans	-71.7	88.2	160.8	-56.6	177.9	0	0	0	106.3	G268 P272	G268-I270 PolarHBondContact O-N 2.79Å; I270-P272 WeakPolarHBondContact O-CD 3.47Å
271	L	44.9	Very low	39.8	Very low	144 Å²	144	149 Å²	149	75%	0.754	76%	0.762	S	S	*	*			trans	-60	123.9	169	-68.6	172.7	0	0	0	108.1	L269 S273	L269-L271 PolarHBondContact O-N 2.99Å; L271-S273 PolarHBondContact O-N 3.02Å
272	P	41.4	Very low	39.8	Very low	106 Å²	106	147.1 Å²	147.1	69%	0.688	76%	0.761	S	S	*	*			trans	-69.3	106.1	173.7	28.1	-32.2	0	0	0	108.3	I270 T274	I270-P272 WeakPolarHBondContact O-CD 3.47Å; P272-T274 PolarHBondContact O-N 3.46Å
273	S	35.1	Very low	40.5	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	76%	0.758	S	S	*	*			trans	-68.3	84.7	171.8	-171.1	0	0	0	0	109.4	L271 E275	L271-S273 PolarHBondContact O-N 3.02Å; S273-E275 PolarHBondContact O-N 3Å
274	T	43.9	Very low	40.9	Very low	108 Å²	108	141.5 Å²	141.5	66%	0.663	75%	0.745	S	S	*	*			trans	-79.4	79.1	172	57.8	0	0	0	0	108.8	P272 K276	P272-T274 PolarHBondContact O-N 3.46Å; T274-K276 PolarHBondContact O-N 2.99Å
275	E	34.7	Very low	42	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	74%	0.736	S	S	*	*			trans	-66.2	73.1	171.6	-167	-169.9	146.7	0	0	110.3	S273 S277	S273-E275 PolarHBondContact O-N 3Å; E275-S277 VanDerWaalsContact C-N 3.32Å; E275-S277 PolarHBondContact O-N 3.31Å; E275-S277 VanDerWaalsContact O-N 3.16Å
276	K	44.6	Very low	42.3	Very low	171 Å²	171	131.7 Å²	131.7	74%	0.743	72%	0.715	S	S	*	*			trans	-83.8	83.5	167.9	-75	-169.6	175.9	-177.2	0	108.1	T274 H278	T274-K276 PolarHBondContact O-N 2.99Å; K276-H278 PolarHBondContact O-N 3.34Å
277	S	33.9	Very low	42.8	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	71%	0.707	S	S	*	*			trans	-66.9	58.1	174	44.2	0	0	0	0	112.5	E275 R279	E275-S277 VanDerWaalsContact C-N 3.32Å; E275-S277 PolarHBondContact O-N 3.31Å; E275-S277 VanDerWaalsContact O-N 3.16Å; S277-R279 PolarHBondContact O-N 2.59Å; S277-R279 VanDerWaalsContact O-N 3.07Å
278	H	43.4	Very low	43	Very low	145 Å²	145	132.1 Å²	132.1	67%	0.671	71%	0.708	S	S	*	*			trans	-63.3	111.2	165.6	-90.1	-79.7	0	0	0	108.7	K276 Y280	K276-H278 PolarHBondContact O-N 3.34Å; H278-Y280 HydrophobicContact CB-CD2 4.21Å; H278-Y280 HydrophobicContact CB-CE2 3.97Å; H278-Y280 WeakPolarHBondContact O-CD2 3.44Å; H278-Y280 PolarHBondContact O-N 2.82Å
279	R	33.7	Very low	43.4	Very low	226 Å²	226	135.2 Å²	135.2	85%	0.853	71%	0.71	S	S	*	*			trans	-66	72.5	-179.1	-172.4	-171	-63.3	162.3	-0.8	111.3	S277 Q281	S277-R279 PolarHBondContact O-N 2.59Å; S277-R279 VanDerWaalsContact O-N 3.07Å; R279-Q281 PolarHBondContact O-N 3.47Å
280	Y	40.2	Very low	43.7	Very low	205 Å²	205	133.9 Å²	133.9	80%	0.804	70%	0.703	S	S	*	*			trans	-67.7	117.9	166.9	-77.9	-77.2	0	0	0	108.8	H278	H278-Y280 HydrophobicContact CB-CD2 4.21Å; H278-Y280 HydrophobicContact CB-CE2 3.97Å; H278-Y280 WeakPolarHBondContact O-CD2 3.44Å; H278-Y280 PolarHBondContact O-N 2.82Å
281	Q	41.8	Very low	43.6	Very low	143 Å²	143	132 Å²	132	67%	0.668	70%	0.704	S	S	*	*			trans	-62.5	136.4	169.6	-65.8	-72.8	-3.8	0	0	108.3	R279 I283	R279-Q281 PolarHBondContact O-N 3.47Å; Q281-I283 PolarHBondContact O-N 3.06Å
282	P	42.4	Very low	43.5	Very low	116 Å²	116	129.8 Å²	129.8	75%	0.753	70%	0.7	S	S	*	*			trans	-65.7	111.1	165.8	27.7	-31.5	0	0	0	108.1	G284	P282-G284 PolarHBondContact O-N 2.95Å
283	I	48.1	Very low	43.7	Very low	149 Å²	149	135 Å²	135	76%	0.764	71%	0.706	S	S	*	*			trans	-69.7	86.3	161.5	-61.4	91.8	0	0	0	105.8	Q281	Q281-I283 PolarHBondContact O-N 3.06Å
284	G	51.1	Low	44.4	Very low	44 Å²	44	136.9 Å²	136.9	45%	0.454	71%	0.706	S	S	.	*			trans	-62.1	163.8	179.5	0	0	0	0	0	111.9	P282 N286	P282-G284 PolarHBondContact O-N 2.95Å; G284-N286 PolarHBondContact O-N 3.3Å
285	P	57.6	Low	44.6	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	70%	0.697	S	S	*	*			trans	-54.8	131.5	-178	23.5	-34.3	0	0	0	110.9	P287	P285-P287 WeakPolarHBondContact O-CD 3.22Å
286	N	47.6	Very low	45.3	Very low	69 Å²	69	134.1 Å²	134.1	37%	0.369	70%	0.698	S	S	.	*			trans	-50.3	114.8	-176.8	-177.2	-21.9	0	0	0	110.1	G284 K288 L289	G284-N286 PolarHBondContact O-N 3.3Å; N286-K288 PolarHBondContact O-N 2.85Å; N286-K288 WeakPolarHBondContact OD1-CB 3.24Å; N286-K288 PolarHBondContact OD1-N 2.75Å; N286-L289 PolarHBondContact O-N 3Å
287	P	51.8	Low	45.4	Very low	104 Å²	104	134 Å²	134	68%	0.675	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-65.2	-13	-169.1	24.8	-34.6	0	0	0	113.2	P285 L289	P285-P287 WeakPolarHBondContact O-CD 3.22Å; P287-L289 VanDerWaalsContact C-N 3.29Å; P287-L289 PolarHBondContact O-N 3.43Å
288	K	46.8	Very low	46.1	Very low	182 Å²	182	131.9 Å²	131.9	79%	0.791	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-77.5	-9.1	177.6	-58.7	174.6	-176.1	171.6	0	113.8	N286	N286-K288 PolarHBondContact O-N 2.85Å; N286-K288 WeakPolarHBondContact OD1-CB 3.24Å; N286-K288 PolarHBondContact OD1-N 2.75Å
289	L	48.6	Very low	46.7	Very low	124 Å²	124	131.2 Å²	131.2	65%	0.649	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-102.2	-1.1	-180	-61.3	-179.2	0	0	0	114.1	N286 P287 S291	N286-L289 PolarHBondContact O-N 3Å; P287-L289 VanDerWaalsContact C-N 3.29Å; P287-L289 PolarHBondContact O-N 3.43Å; L289-S291 PolarHBondContact O-N 3.2Å
290	L	43.8	Very low	47.2	Very low	135 Å²	135	125.7 Å²	125.7	71%	0.707	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	45	-178.6	-71.2	171.7	0	0	0	114.1
291	S	39.8	Very low	47.8	Very low	119 Å²	119	121.4 Å²	121.4	83%	0.832	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-18.1	172.6	-71.2	0	0	0	0	113.7	L289 R293	L289-S291 PolarHBondContact O-N 3.2Å; S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 3.07Å; S291-R293 VanDerWaalsContact O-N 3.13Å
292	S	43.6	Very low	48.1	Very low	97 Å²	97	120.8 Å²	120.8	68%	0.678	69%	0.687	S	S	*	*			trans	-83.5	77	168.8	45	0	0	0	0	110.4	I294	S292-I294 PolarHBondContact O-N 3.31Å
293	R	44.5	Very low	48.3	Very low	216 Å²	216	124.6 Å²	124.6	82%	0.815	69%	0.692	S	S	*	*			trans	-67.6	81.6	172.6	-174.7	-168.2	-97.6	-167.9	-5.8	110.2	S291 I295	S291-R293 VanDerWaalsContact C-N 3.35Å; S291-R293 PolarHBondContact O-N 3.07Å; S291-R293 VanDerWaalsContact O-N 3.13Å; R293-I295 VanDerWaalsContact C-N 3.32Å; R293-I295 HydrophobicContact CG-CG1 3.91Å; R293-I295 PolarHBondContact O-N 2.78Å
294	I	49.7	Very low	48.5	Very low	151 Å²	151	123.6 Å²	123.6	77%	0.774	69%	0.692	S	S	*	*			trans	-67.7	96	163.8	-58.8	177.8	0	0	0	106.6	S292 P296	S292-I294 PolarHBondContact O-N 3.31Å; I294-P296 WeakPolarHBondContact O-CD 3.46Å
295	I	48.5	Very low	48.5	Very low	93 Å²	93	129.8 Å²	129.8	48%	0.477	71%	0.709	S	S	.	*			trans	-68.3	122.1	169.7	-59.3	177	0	0	0	106.3	R293 H297	R293-I295 VanDerWaalsContact C-N 3.32Å; R293-I295 HydrophobicContact CG-CG1 3.91Å; R293-I295 PolarHBondContact O-N 2.78Å; I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-CD2 2.75Å; I295-H297 VanDerWaalsContact O-CD2 3.27Å; I295-H297 PolarHBondContact O-N 3.07Å
296	P	50.6	Low	47.7	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	71%	0.709	S	S	*	*			trans	-68	97.3	167	28.6	-31.7	0	0	0	107.2	I294 G298	I294-P296 WeakPolarHBondContact O-CD 3.46Å; P296-G298 PolarHBondContact O-N 3.16Å
297	H	46	Very low	48	Very low	169 Å²	169	130.2 Å²	130.2	78%	0.782	73%	0.728	S	S	*	*			trans	-62.1	109.2	173.8	-71.8	-89.8	0	0	0	108.2	I295	I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-CD2 2.75Å; I295-H297 VanDerWaalsContact O-CD2 3.27Å; I295-H297 PolarHBondContact O-N 3.07Å
298	G	47.7	Very low	47.9	Very low	54 Å²	54	132.4 Å²	132.4	56%	0.557	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-57.5	159.6	170.3	0	0	0	0	0	111.1	P296 N300	P296-G298 PolarHBondContact O-N 3.16Å; G298-N300 PolarHBondContact O-N 2.76Å
299	P	56.3	Low	48.4	Very low	130 Å²	130	129.9 Å²	129.9	84%	0.844	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-54.9	116	-173.5	22.4	-33.6	0	0	0	111	P301	P299-P301 WeakPolarHBondContact O-CD 3.42Å
300	N	45.1	Very low	48.5	Very low	111 Å²	111	128 Å²	128	59%	0.594	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-70.2	116.6	-173.2	-170	10	0	0	0	109.8	G298 L302	G298-N300 PolarHBondContact O-N 2.76Å; N300-L302 PolarHBondContact O-N 3.23Å
301	P	53	Low	48.9	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	74%	0.742	S	S	*	*	S	Bend	trans	-80.9	51.4	-170.2	34.7	-37.6	0	0	0	112.6	P299	P299-P301 WeakPolarHBondContact O-CD 3.42Å
302	L	46.9	Very low	49.6	Very low	129 Å²	129	129.3 Å²	129.3	68%	0.675	74%	0.735	S	S	*	*			trans	-133.9	29.2	-173.5	-70.7	177.6	0	0	0	113.9	N300	N300-L302 PolarHBondContact O-N 3.23Å
303	F	46.4	Very low	50	Low	197 Å²	197	133.2 Å²	133.2	86%	0.864	74%	0.742	S	S	*	*			trans	-132.7	64.1	168.7	-75.3	-72.5	0	0	0	111.8
304	V	53.5	Low	50.2	Low	127 Å²	127	126.3 Å²	126.3	77%	0.77	74%	0.738	S	S	*	*			trans	-90.3	111.9	167	178.1	0	0	0	0	108.6
305	H	50.3	Low	50.2	Low	174 Å²	174	124.7 Å²	124.7	81%	0.806	74%	0.741	S	S	*	*			trans	27.8	116.6	159	-68.6	-85.3	0	0	0	119.6
306	G	40.8	Very low	50.6	Low	68 Å²	68	127.1 Å²	127.1	70%	0.701	75%	0.753	S	S	*	*			trans	-61.8	158.2	144.1	0	0	0	0	0	110.8
307	P	54.1	Low	50.8	Low	120 Å²	120	131.5 Å²	131.5	78%	0.779	76%	0.756	S	S	*	*				-129.1	161.7	85.3	37.9	-31.8	0	0	0	114.2	P309	P307-P309 WeakPolarHBondContact O-CD 3.42Å
308	N	49.8	Very low	51.2	Low	150 Å²	150	136 Å²	136	80%	0.802	78%	0.777	S	S	*	*			trans	-70.4	131.4	167.4	-105.4	-38.1	0	0	0	110.7
309	P	57.1	Low	51.4	Low	130 Å²	130	140.1 Å²	140.1	84%	0.844	79%	0.788	S	S	*	*			trans	-120.3	68.7	160.8	35.7	-18.6	0	0	0	109.2	P307	P307-P309 WeakPolarHBondContact O-CD 3.42Å
310	S	50.1	Low	51.1	Low	84 Å²	84	140.6 Å²	140.6	59%	0.587	79%	0.785	S	S	*	*			trans	-129.5	137	167.9	61.2	0	0	0	0	110.3
311	L	52.8	Low	51.5	Low	167 Å²	167	142.3 Å²	142.3	87%	0.874	80%	0.796	S	S	*	*	S	Bend	trans	74.1	149.9	-179.7	-59.5	157.8	0	0	0	117.7
312	V	55.8	Low	51.4	Low	115 Å²	115	143.9 Å²	143.9	70%	0.697	80%	0.799	S	S	*	*			trans	75.1	137.5	169	-149.4	0	0	0	0	117.7
313	H	50.9	Low	51.7	Low	178 Å²	178	144.8 Å²	144.8	82%	0.824	81%	0.806	S	S	*	*			trans	70	103.7	-179.6	-45.1	99.5	0	0	0	115.4
314	G	49.3	Very low	52	Low	71 Å²	71	141.3 Å²	141.3	73%	0.732	80%	0.802	S	S	*	*			cis	92.8	93	-5.4	0	0	0	0	0	115.3
315	S	49.6	Very low	51.9	Low	118 Å²	118	142.4 Å²	142.4	83%	0.825	81%	0.805	S	S	*	*			trans	83.7	157.6	160.4	-147.1	0	0	0	0	119.9
316	I	55.9	Low	52	Low	143 Å²	143	139.9 Å²	139.9	73%	0.733	81%	0.805	S	S	*	*			trans	86.6	102.3	164.8	-58.8	170.8	0	0	0	118.6
317	Y	54.6	Low	53	Low	211 Å²	211	145.9 Å²	145.9	83%	0.827	81%	0.813	S	S	*	*			trans	8.3	135.7	136.6	-53	-88.7	0	0	0	118.1
318	Q	55.7	Low	52.9	Low	264 Å²	264	148.3 Å²	148.3	100%	1.234	82%	0.816	S	S	*	*				-142.5	0	51.9	-77.4	-179.4	-8.9	0	0	114.2

Retrieved 318 of 318 residues in 346.3 ms (Link to these results)

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