A0A5K4FA84_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FA84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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	58.7	Low	75.5	Confident	205 Å²	205	128.6 Å²	128.6	100%	1.01	64%	0.639	S	S	*	*				0	-29.7	0	-79	-174.2	135.6	0	0	114.9	R3 T4	M1-R3 PolarHBondContact O-N 3.08Å; M1-T4 PolarHBondContact O-OG1 3.13Å
2	L	66.4	Low	76.2	Confident	146 Å²	146	123.9 Å²	123.9	76%	0.764	62%	0.617	S	S	*	*	H	α-helix	trans	-66.5	-37.3	-178.2	-159	73.2	0	0	0	113.4	T4 K5 L6	L2-T4 PolarHBondContact O-N 3.33Å; L2-K5 PolarHBondContact O-N 2.89Å; L2-L6 PolarHBondContact O-N 3.2Å
3	R	71.6	Confident	77	Confident	224 Å²	224	121.3 Å²	121.3	85%	0.845	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-41.7	179.9	-71.2	-174.3	175.8	-179.4	-2.2	113.3	M1 K5 L6 V7	M1-R3 PolarHBondContact O-N 3.08Å; R3-K5 PolarHBondContact O-N 3.24Å; R3-L6 PolarHBondContact O-N 3.09Å; R3-V7 WeakPolarHBondContact O-CG2 3.28Å; R3-V7 PolarHBondContact O-N 3.17Å; R3-V7 VanDerWaalsContact O-N 3.17Å
4	T	71.3	Confident	77.3	Confident	100 Å²	100	120.4 Å²	120.4	61%	0.613	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-36.1	-179.8	34.7	0	0	0	0	112.6	M1 L2 F8	M1-T4 PolarHBondContact O-OG1 3.13Å; L2-T4 PolarHBondContact O-N 3.33Å; T4-F8 PolarHBondContact O-N 2.95Å; T4-F8 VanDerWaalsContact O-N 3.11Å
5	K	74.5	Confident	77.4	Confident	146 Å²	146	119.9 Å²	119.9	64%	0.635	60%	0.601	S	S	*	*	H	α-helix	trans	-63.8	-41.8	175.3	-70.7	-172	175.5	-174.5	0	112.1	L2 R3 F8 I9	L2-K5 PolarHBondContact O-N 2.89Å; R3-K5 PolarHBondContact O-N 3.24Å; K5-F8 PolarHBondContact O-N 3.43Å; K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.44Å; K5-I9 VanDerWaalsContact O-N 3.09Å
6	L	76.5	Confident	77.6	Confident	110 Å²	110	121.8 Å²	121.8	58%	0.576	60%	0.604	S	S	*	*	H	α-helix	trans	-67.7	-41.2	-178.4	-148.9	152.1	0	0	0	111.3	L2 R3 F8 I9 C10	L2-L6 PolarHBondContact O-N 3.2Å; R3-L6 PolarHBondContact O-N 3.09Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.26Å; L6-I9 PolarHBondContact O-N 3.25Å; L6-C10 PolarHBondContact O-N 3.45Å; L6-C10 PolarHBondContact O-SG 3.34Å
7	V	78.2	Confident	77.7	Confident	99 Å²	99	119.8 Å²	119.8	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-60.5	-42.7	173.7	174.6	0	0	0	0	111.5	R3 I9 C10 L11	R3-V7 WeakPolarHBondContact O-CG2 3.28Å; R3-V7 PolarHBondContact O-N 3.17Å; R3-V7 VanDerWaalsContact O-N 3.17Å; V7-I9 PolarHBondContact O-N 3.06Å; V7-C10 PolarHBondContact O-N 2.93Å; V7-L11 WeakPolarHBondContact O-CB 3.05Å; V7-L11 PolarHBondContact O-N 2.91Å
8	F	79	Confident	77.5	Confident	131 Å²	131	117.1 Å²	117.1	58%	0.575	59%	0.59	S	S	*	*	H	α-helix	trans	-64.9	-40.1	179.9	-162	-102.6	0	0	0	112.4	T4 K5 L6 L11 I12	T4-F8 PolarHBondContact O-N 2.95Å; T4-F8 VanDerWaalsContact O-N 3.11Å; K5-F8 PolarHBondContact O-N 3.43Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.26Å; F8-L11 PolarHBondContact O-N 3.49Å; F8-I12 HydrophobicContact CD1-CD1 3.69Å; F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.56Å; F8-I12 HydrophobicContact CE1-CG1 4.36Å; F8-I12 HydrophobicContact CZ-CD1 4.44Å; F8-I12 WeakPolarHBondContact O-CG1 3.35Å; F8-I12 PolarHBondContact O-N 3.23Å; F8-I12 VanDerWaalsContact O-N 3.09Å
9	I	85.4	Confident	77.1	Confident	99 Å²	99	118.5 Å²	118.5	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-64.6	-45.4	175.6	-66.6	165.5	0	0	0	110.6	K5 L6 V7 L11 I12 I13	K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.44Å; K5-I9 VanDerWaalsContact O-N 3.09Å; L6-I9 PolarHBondContact O-N 3.25Å; V7-I9 PolarHBondContact O-N 3.06Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.01Å; I9-I12 PolarHBondContact O-N 3.07Å; I9-I13 HydrophobicContact CG2-CD1 3.9Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.45Å
10	C	84.3	Confident	76.6	Confident	60 Å²	60	120.6 Å²	120.6	41%	0.405	59%	0.594	S	S	.	*	H	α-helix	trans	-59.5	-41.6	175.8	-72.7	0	0	0	0	112.1	L6 V7 I12 I13 L14	L6-C10 PolarHBondContact O-N 3.45Å; L6-C10 PolarHBondContact O-SG 3.34Å; V7-C10 PolarHBondContact O-N 2.93Å; C10-I12 PolarHBondContact O-N 2.8Å; C10-I13 PolarHBondContact O-N 3.23Å; C10-L14 WeakPolarHBondContact O-CG 3.34Å; C10-L14 PolarHBondContact O-N 2.83Å
11	L	84.7	Confident	75.9	Confident	95 Å²	95	120 Å²	120	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-60.3	-45.1	177.1	-170	100.6	0	0	0	111.7	V7 F8 I9 I13 L14 L15	V7-L11 WeakPolarHBondContact O-CB 3.05Å; V7-L11 PolarHBondContact O-N 2.91Å; F8-L11 PolarHBondContact O-N 3.49Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.01Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.34Å; L11-L15 PolarHBondContact O-N 3.3Å
12	I	83.8	Confident	75.8	Confident	72 Å²	72	113.4 Å²	113.4	37%	0.369	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-41.4	178.3	-68.7	169	0	0	0	111.2	F8 I9 C10 L15 K16	F8-I12 HydrophobicContact CD1-CD1 3.69Å; F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.56Å; F8-I12 HydrophobicContact CE1-CG1 4.36Å; F8-I12 HydrophobicContact CZ-CD1 4.44Å; F8-I12 WeakPolarHBondContact O-CG1 3.35Å; F8-I12 PolarHBondContact O-N 3.23Å; F8-I12 VanDerWaalsContact O-N 3.09Å; I9-I12 PolarHBondContact O-N 3.07Å; C10-I12 PolarHBondContact O-N 2.8Å; I12-L15 PolarHBondContact O-N 3.18Å; I12-K16 PolarHBondContact O-N 2.9Å
13	I	86	Confident	75.2	Confident	90 Å²	90	112.2 Å²	112.2	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-44.9	178.4	-67.2	167.3	0	0	0	110.3	I9 C10 L11 L15 K16 I17	I9-I13 HydrophobicContact CG2-CD1 3.9Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.45Å; C10-I13 PolarHBondContact O-N 3.23Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.05Å; I13-L15 PolarHBondContact O-N 3.23Å; I13-K16 PolarHBondContact O-N 3.08Å; I13-I17 HydrophobicContact CG2-CD1 3.8Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 3.35Å
14	L	81.9	Confident	74	Confident	109 Å²	109	108.9 Å²	108.9	57%	0.571	54%	0.544	S	S	*	.	H	α-helix	trans	-61.5	-44.4	177.1	-73.8	169.4	0	0	0	111.9	C10 L11 K16 I17 S18	C10-L14 WeakPolarHBondContact O-CG 3.34Å; C10-L14 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 2.8Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.87Å; L14-I17 PolarHBondContact O-N 3.16Å; L14-S18 PolarHBondContact O-N 3.45Å; L14-S18 PolarHBondContact O-OG 3.05Å; L14-S18 VanDerWaalsContact O-OG 3.08Å
15	L	78.6	Confident	73	Confident	112 Å²	112	108.6 Å²	108.6	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-58.6	-42.3	175.4	-87	161.7	0	0	0	112.4	L11 I12 I13 S18 F19	L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 HydrophobicContact CG-CD1 4.34Å; L11-L15 PolarHBondContact O-N 3.3Å; I12-L15 PolarHBondContact O-N 3.18Å; I13-L15 PolarHBondContact O-N 3.23Å; L15-S18 PolarHBondContact O-N 3.23Å; L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.39Å
16	K	80	Confident	71.6	Confident	150 Å²	150	107 Å²	107	65%	0.652	55%	0.545	S	S	*	.	H	α-helix	trans	-64.4	-42	177.1	-79.4	-174.7	167.1	-177.3	0	112.3	I12 I13 L14 F19 Y20	I12-K16 PolarHBondContact O-N 2.9Å; I13-K16 PolarHBondContact O-N 3.08Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.87Å; K16-F19 PolarHBondContact O-N 3.08Å; K16-Y20 WeakPolarHBondContact O-CB 3.49Å; K16-Y20 PolarHBondContact O-N 3.34Å
17	I	79.2	Confident	70.2	Confident	89 Å²	89	106.8 Å²	106.8	46%	0.456	55%	0.548	S	S	.	.	H	α-helix	trans	-63.7	-47	177.2	-67.2	163.4	0	0	0	110.1	I13 L14 F19 Y20 L21	I13-I17 HydrophobicContact CG2-CD1 3.8Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 3.35Å; L14-I17 PolarHBondContact O-N 3.16Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.42Å; I17-Y20 PolarHBondContact O-N 2.92Å; I17-Y20 VanDerWaalsContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.86Å; I17-L21 WeakPolarHBondContact O-CD1 3.38Å; I17-L21 PolarHBondContact O-N 3.25Å
18	S	74.4	Confident	68.7	Low	70 Å²	70	109 Å²	109	49%	0.49	55%	0.552	S	S	.	*	H	α-helix	trans	-59.5	-43.7	177	-58.8	0	0	0	0	111.7	L14 L15 Y20 L21 S22	L14-S18 PolarHBondContact O-N 3.45Å; L14-S18 PolarHBondContact O-OG 3.05Å; L14-S18 VanDerWaalsContact O-OG 3.08Å; L15-S18 PolarHBondContact O-N 3.23Å; S18-Y20 VanDerWaalsContact C-N 3.32Å; S18-Y20 PolarHBondContact O-N 2.98Å; S18-L21 PolarHBondContact O-N 3.47Å; S18-S22 WeakPolarHBondContact O-CB 3.37Å; S18-S22 PolarHBondContact O-N 3.36Å; S18-S22 PolarHBondContact O-OG 3.01Å; S18-S22 VanDerWaalsContact O-OG 3.09Å
19	F	70.8	Confident	66.9	Low	144 Å²	144	108.1 Å²	108.1	63%	0.632	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-39.8	176.9	-160.8	-95.9	0	0	0	111.8	L15 K16 I17 S22 H23	L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.39Å; K16-F19 PolarHBondContact O-N 3.08Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.42Å; F19-S22 PolarHBondContact O-N 3.49Å; F19-H23 AromaticContact CE1-CD2 3.81Å; F19-H23 WeakPolarHBondContact O-CB 3.42Å; F19-H23 PolarHBondContact O-N 3.03Å
20	Y	66.5	Low	65.1	Low	161 Å²	161	111.5 Å²	111.5	63%	0.631	57%	0.571	S	S	*	*	H	α-helix	trans	-67.1	-38.6	178	-148.3	-90.8	0	0	0	112.5	K16 I17 S18 R24	K16-Y20 WeakPolarHBondContact O-CB 3.49Å; K16-Y20 PolarHBondContact O-N 3.34Å; I17-Y20 PolarHBondContact O-N 2.92Å; I17-Y20 VanDerWaalsContact O-N 3.16Å; S18-Y20 VanDerWaalsContact C-N 3.32Å; S18-Y20 PolarHBondContact O-N 2.98Å; Y20-R24 PolarHBondContact O-N 3.5Å
21	L	62.3	Low	63.2	Low	107 Å²	107	113.7 Å²	113.7	56%	0.56	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-47.1	173.8	-96.2	79	0	0	0	111.3	I17 S18 H23 R24 T25	I17-L21 HydrophobicContact CG2-CD1 3.86Å; I17-L21 WeakPolarHBondContact O-CD1 3.38Å; I17-L21 PolarHBondContact O-N 3.25Å; S18-L21 PolarHBondContact O-N 3.47Å; L21-H23 PolarHBondContact O-N 3.31Å; L21-R24 PolarHBondContact O-N 3.07Å; L21-T25 PolarHBondContact O-N 3.41Å; L21-T25 PolarHBondContact O-OG1 2.94Å
22	S	57.3	Low	61.3	Low	68 Å²	68	114 Å²	114	48%	0.476	60%	0.597	S	S	.	*	H	α-helix	trans	-58.1	-39.8	178.4	-67	0	0	0	0	111.6	S18 F19 R24 T25 V26	S18-S22 WeakPolarHBondContact O-CB 3.37Å; S18-S22 PolarHBondContact O-N 3.36Å; S18-S22 PolarHBondContact O-OG 3.01Å; S18-S22 VanDerWaalsContact O-OG 3.09Å; F19-S22 PolarHBondContact O-N 3.49Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.27Å; S22-T25 VanDerWaalsContact CA-OG1 3.27Å; S22-T25 WeakPolarHBondContact CA-OG1 3.35Å; S22-T25 PolarHBondContact O-N 3.48Å; S22-T25 PolarHBondContact O-OG1 3.33Å; S22-V26 WeakPolarHBondContact O-CG2 3.34Å; S22-V26 PolarHBondContact O-N 3.45Å
23	H	51.9	Low	59.6	Low	120 Å²	120	118.5 Å²	118.5	56%	0.556	61%	0.614	S	S	*	*	H	α-helix	trans	-69.2	-31	178.1	-130	-35	0	0	0	112.9	F19 L21 V27	F19-H23 AromaticContact CE1-CD2 3.81Å; F19-H23 WeakPolarHBondContact O-CB 3.42Å; F19-H23 PolarHBondContact O-N 3.03Å; L21-H23 PolarHBondContact O-N 3.31Å; H23-V27 WeakPolarHBondContact O-CG2 3.36Å
24	R	48.3	Very low	57.8	Low	154 Å²	154	119.7 Å²	119.7	58%	0.581	63%	0.626	S	S	*	*	H	α-helix	trans	-72.5	-42	171.5	-80.4	-170.4	171.2	-151.6	-1.4	112.1	Y20 L21 S22 V26 V27 E28	Y20-R24 PolarHBondContact O-N 3.5Å; L21-R24 PolarHBondContact O-N 3.07Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.27Å; R24-V26 VanDerWaalsContact C-N 3.28Å; R24-V26 PolarHBondContact O-N 3.32Å; R24-V27 PolarHBondContact O-N 3.11Å; R24-V27 VanDerWaalsContact O-N 3.1Å; R24-E28 PolarHBondContact O-N 3.17Å
25	T	49	Very low	55.9	Low	94 Å²	94	123.8 Å²	123.8	58%	0.577	64%	0.635	S	S	*	*	H	α-helix	trans	-65.3	-30.2	-178.2	47.1	0	0	0	0	113.2	L21 S22 V27	L21-T25 PolarHBondContact O-N 3.41Å; L21-T25 PolarHBondContact O-OG1 2.94Å; S22-T25 VanDerWaalsContact CA-OG1 3.27Å; S22-T25 WeakPolarHBondContact CA-OG1 3.35Å; S22-T25 PolarHBondContact O-N 3.48Å; S22-T25 PolarHBondContact O-OG1 3.33Å; T25-V27 VanDerWaalsContact C-N 3.31Å
26	V	46.2	Very low	54.3	Low	112 Å²	112	125.1 Å²	125.1	68%	0.679	64%	0.636	S	S	*	*	H	α-helix	trans	-75.4	-22.1	177	177.8	0	0	0	0	112.1	S22 R24	S22-V26 WeakPolarHBondContact O-CG2 3.34Å; S22-V26 PolarHBondContact O-N 3.45Å; R24-V26 VanDerWaalsContact C-N 3.28Å; R24-V26 PolarHBondContact O-N 3.32Å
27	V	46.6	Very low	52.7	Low	107 Å²	107	122.4 Å²	122.4	65%	0.648	64%	0.636	S	S	*	*	H	α-helix	trans	-90.7	-23.7	-179	-177	0	0	0	0	112.1	H23 R24 T25	H23-V27 WeakPolarHBondContact O-CG2 3.36Å; R24-V27 PolarHBondContact O-N 3.11Å; R24-V27 VanDerWaalsContact O-N 3.1Å; T25-V27 VanDerWaalsContact C-N 3.31Å
28	E	46.4	Very low	51.1	Low	145 Å²	145	127.2 Å²	127.2	68%	0.678	65%	0.65	S	S	*	*			trans	-93.1	0.1	-176.4	-74.5	-173.5	-170.3	0	0	115.6	R24 E30	R24-E28 PolarHBondContact O-N 3.17Å; E28-E30 PolarHBondContact O-N 3.35Å
29	T	42.1	Very low	49.6	Very low	112 Å²	112	125.8 Å²	125.8	69%	0.687	65%	0.646	S	S	*	*			trans	-74.2	71.8	155.3	51.5	0	0	0	0	107.8	S31	T29-S31 PolarHBondContact O-N 3.31Å
30	E	46.4	Very low	48.4	Very low	170 Å²	170	125 Å²	125	79%	0.794	65%	0.648	S	S	*	*			trans	-55.9	86.6	158	-68.4	-173.2	159.8	0	0	106.1	E28 S32	E28-E30 PolarHBondContact O-N 3.35Å; E30-S32 PolarHBondContact O-N 3.36Å
31	S	44.2	Very low	47.6	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	66%	0.661	S	S	*	*			trans	-59.9	96	152.3	49.2	0	0	0	0	104.3	T29 F33	T29-S31 PolarHBondContact O-N 3.31Å; S31-F33 PolarHBondContact O-N 3.09Å
32	S	45.7	Very low	46.8	Very low	101 Å²	101	123.4 Å²	123.4	71%	0.706	66%	0.656	S	S	*	*			trans	-65.6	74.7	167.8	70.7	0	0	0	0	106.6	E30 V34	E30-S32 PolarHBondContact O-N 3.36Å; S32-V34 PolarHBondContact O-N 3.38Å
33	F	47.4	Very low	46.1	Very low	166 Å²	166	128.8 Å²	128.8	73%	0.728	67%	0.667	S	S	*	*			trans	-72.7	90.4	166.9	-165.7	-93.6	0	0	0	104.6	S31 Y35	S31-F33 PolarHBondContact O-N 3.09Å; F33-Y35 VanDerWaalsContact C-N 3.25Å; F33-Y35 HydrophobicContact CD1-CD2 4.02Å; F33-Y35 AromaticContact CE1-CD2 3.99Å; F33-Y35 HydrophobicContact CE1-CD2 3.99Å; F33-Y35 HydrophobicContact CE1-CE2 4.41Å; F33-Y35 PolarHBondContact O-N 3.5Å
34	V	47.7	Very low	45.6	Very low	116 Å²	116	131.1 Å²	131.1	70%	0.703	68%	0.684	S	S	*	*			trans	-60.4	99.1	169.5	178.1	0	0	0	0	105	S32 K36	S32-V34 PolarHBondContact O-N 3.38Å; V34-K36 PolarHBondContact O-N 3.46Å
35	Y	42.6	Very low	45.4	Very low	194 Å²	194	126.5 Å²	126.5	76%	0.761	68%	0.676	S	S	*	*			trans	-63.6	97.4	172	-145	-91.7	0	0	0	105.3	F33 S37	F33-Y35 VanDerWaalsContact C-N 3.25Å; F33-Y35 HydrophobicContact CD1-CD2 4.02Å; F33-Y35 AromaticContact CE1-CD2 3.99Å; F33-Y35 HydrophobicContact CE1-CD2 3.99Å; F33-Y35 HydrophobicContact CE1-CE2 4.41Å; F33-Y35 PolarHBondContact O-N 3.5Å; Y35-S37 PolarHBondContact O-N 2.99Å
36	K	45.2	Very low	45.1	Very low	140 Å²	140	128.1 Å²	128.1	61%	0.609	69%	0.686	S	S	*	*			trans	-68.1	96	172.8	-153.6	168	176.3	-160.2	0	104.2	V34 Y38	V34-K36 PolarHBondContact O-N 3.46Å; K36-Y38 HydrophobicContact CB-CD2 4.23Å; K36-Y38 HydrophobicContact CB-CE2 3.88Å; K36-Y38 HydrophobicContact CD-CE1 4.48Å; K36-Y38 HydrophobicContact CD-CE2 3.91Å; K36-Y38 WeakPolarHBondContact CD-OH 3.43Å; K36-Y38 HydrophobicContact CG-CD2 4.44Å; K36-Y38 HydrophobicContact CG-CE2 3.95Å; K36-Y38 PolarHBondContact NZ-OH 3.5Å; K36-Y38 VanDerWaalsContact NZ-OH 3.08Å; K36-Y38 WeakPolarHBondContact O-CD2 3.45Å; K36-Y38 PolarHBondContact O-N 3.16Å
37	S	46.2	Very low	44.9	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	69%	0.69	S	S	*	*			trans	-63.9	95.9	172.9	132.4	0	0	0	0	105.4	Y35 G39	Y35-S37 PolarHBondContact O-N 2.99Å; S37-G39 PolarHBondContact O-N 3.11Å
38	Y	46.4	Very low	44.7	Very low	191 Å²	191	129.5 Å²	129.5	75%	0.749	69%	0.685	S	S	*	*			trans	-82	97.8	163.3	-71.3	-79.8	0	0	0	104.8	K36	K36-Y38 HydrophobicContact CB-CD2 4.23Å; K36-Y38 HydrophobicContact CB-CE2 3.88Å; K36-Y38 HydrophobicContact CD-CE1 4.48Å; K36-Y38 HydrophobicContact CD-CE2 3.91Å; K36-Y38 WeakPolarHBondContact CD-OH 3.43Å; K36-Y38 HydrophobicContact CG-CD2 4.44Å; K36-Y38 HydrophobicContact CG-CE2 3.95Å; K36-Y38 PolarHBondContact NZ-OH 3.5Å; K36-Y38 VanDerWaalsContact NZ-OH 3.08Å; K36-Y38 WeakPolarHBondContact O-CD2 3.45Å; K36-Y38 PolarHBondContact O-N 3.16Å
39	G	42.4	Very low	44.5	Very low	40 Å²	40	132 Å²	132	41%	0.412	70%	0.695	S	S	.	*			trans	157.4	74.2	-171.3	0	0	0	0	0	106.8	S37 D41	S37-G39 PolarHBondContact O-N 3.11Å; G39-D41 PolarHBondContact O-N 3.38Å
40	D	45.3	Very low	44.6	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	71%	0.705	S	S	*	*			trans	-62.2	111.8	159.9	-159.7	1.4	0	0	0	105.3	S42	D40-S42 VanDerWaalsContact CG-OG 3.27Å; D40-S42 PolarHBondContact O-N 2.74Å; D40-S42 PolarHBondContact OD1-OG 3.22Å; D40-S42 PolarHBondContact OD2-OG 3.41Å
41	D	50.2	Low	44.5	Very low	168 Å²	168	132.4 Å²	132.4	90%	0.898	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-3.8	-177.8	-67.9	-26.8	0	0	0	112.1	G39	G39-D41 PolarHBondContact O-N 3.38Å
42	S	45.5	Very low	44.5	Very low	67 Å²	67	135.8 Å²	135.8	47%	0.469	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-3.6	-170.8	68.7	0	0	0	0	116.1	D40	D40-S42 VanDerWaalsContact CG-OG 3.27Å; D40-S42 PolarHBondContact O-N 2.74Å; D40-S42 PolarHBondContact OD1-OG 3.22Å; D40-S42 PolarHBondContact OD2-OG 3.41Å
43	Y	43.2	Very low	44.4	Very low	181 Å²	181	137 Å²	137	71%	0.71	71%	0.705	S	S	*	*			trans	-130.2	88.2	-179.2	-68.9	-79.2	0	0	0	112.2	S45	Y43-S45 PolarHBondContact O-N 3.35Å
44	N	40.9	Very low	44.2	Very low	169 Å²	169	137.9 Å²	137.9	90%	0.904	71%	0.709	S	S	*	*			trans	-64.3	63	152.3	-163.3	51.2	0	0	0	109.2
45	S	42.7	Very low	43.9	Very low	58 Å²	58	137 Å²	137	41%	0.406	71%	0.706	S	S	.	*			trans	-121.3	82.5	-177	170.2	0	0	0	0	106.6	Y43 D47	Y43-S45 PolarHBondContact O-N 3.35Å; S45-D47 PolarHBondContact O-N 3.43Å
46	T	43	Very low	44.1	Very low	128 Å²	128	133.1 Å²	133.1	79%	0.785	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	4.2	165.5	-8.6	0	0	0	0	112.5
47	D	42.6	Very low	44	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	4.2	-160.4	-87	-1	0	0	0	116.4	S45	S45-D47 PolarHBondContact O-N 3.43Å
48	D	42.6	Very low	43.9	Very low	102 Å²	102	136.6 Å²	136.6	55%	0.545	72%	0.717	S	S	.	*	S	Bend	trans	-139.4	7.8	179.7	-124	-10.9	0	0	0	118.1	N50 N51	D48-N50 PolarHBondContact O-N 3.32Å; D48-N51 PolarHBondContact O-N 3.19Å; D48-N51 VanDerWaalsContact O-N 3.07Å; D48-N51 WeakPolarHBondContact OD1-CB 3.39Å
49	F	42.7	Very low	43.6	Very low	199 Å²	199	134 Å²	134	87%	0.873	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-1.8	171.5	-89.2	-75.9	0	0	0	114.2
50	N	44.4	Very low	43.7	Very low	170 Å²	170	136.3 Å²	136.3	91%	0.909	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.7	171.6	-79.5	-18	0	0	0	114.3	D48	D48-N50 PolarHBondContact O-N 3.32Å
51	N	43.8	Very low	43.4	Very low	120 Å²	120	138.4 Å²	138.4	64%	0.642	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	-10.4	-174.7	-155.5	26	0	0	0	116.8	D48 T53	D48-N51 PolarHBondContact O-N 3.19Å; D48-N51 VanDerWaalsContact O-N 3.07Å; D48-N51 WeakPolarHBondContact OD1-CB 3.39Å; N51-T53 PolarHBondContact O-N 3.25Å
52	E	43.6	Very low	43.1	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	73%	0.725	S	S	*	*	S	Bend	trans	-89	92.8	167.7	-71.5	-163.9	175.5	0	0	109.9	F54	E52-F54 PolarHBondContact O-N 2.83Å
53	T	43.6	Very low	43.1	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	74%	0.738	S	S	*	*			trans	-33.5	111	159.5	-57.8	0	0	0	0	108.2	N51	N51-T53 PolarHBondContact O-N 3.25Å
54	F	42.6	Very low	43	Very low	186 Å²	186	133 Å²	133	82%	0.816	74%	0.735	S	S	*	*			trans	-42.1	129.8	175.1	-90.8	-96.4	0	0	0	108.4	E52 S56	E52-F54 PolarHBondContact O-N 2.83Å; F54-S56 PolarHBondContact O-N 2.91Å
55	P	43.2	Very low	43.1	Very low	97 Å²	97	129.3 Å²	129.3	63%	0.63	72%	0.723	S	S	*	*			trans	-55.6	112.2	175.8	19.9	-29	0	0	0	107.5	D57 F58	P55-D57 PolarHBondContact O-N 2.85Å; P55-F58 PolarHBondContact O-N 2.79Å
56	S	46.7	Very low	43.2	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-11.1	176.6	-82.1	0	0	0	0	112.8	F54 F58	F54-S56 PolarHBondContact O-N 2.91Å; S56-F58 VanDerWaalsContact C-N 3.35Å
57	D	43.2	Very low	43.1	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	12.1	-174.9	-53.8	-17.7	0	0	0	113.1	P55 D59	P55-D57 PolarHBondContact O-N 2.85Å; D57-D59 PolarHBondContact O-N 2.69Å
58	F	42.8	Very low	43.1	Very low	164 Å²	164	136.5 Å²	136.5	72%	0.719	74%	0.741	S	S	*	*			trans	-74.6	69.8	161.1	-147.2	-92	0	0	0	108.6	P55 S56 A60	P55-F58 PolarHBondContact O-N 2.79Å; S56-F58 VanDerWaalsContact C-N 3.35Å; F58-A60 PolarHBondContact O-N 3.2Å
59	D	41.2	Very low	43.1	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	75%	0.746	S	S	*	*			trans	-45.8	108.4	161.9	-90	-26.8	0	0	0	106	D57 F61	D57-D59 PolarHBondContact O-N 2.69Å; D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 3.1Å
60	A	44.7	Very low	43.1	Very low	87 Å²	87	136.4 Å²	136.4	72%	0.719	73%	0.733	S	S	*	*			trans	-51.3	104.2	175.9	0	0	0	0	0	106.3	F58 P62	F58-A60 PolarHBondContact O-N 3.2Å; A60-P62 WeakPolarHBondContact O-CD 3.27Å; A60-P62 VanDerWaalsContact O-N 3.07Å
61	F	38.7	Very low	43.1	Very low	171 Å²	171	135.8 Å²	135.8	75%	0.75	73%	0.73	S	S	*	*			trans	-47.7	125.4	172.7	-89.8	-93.3	0	0	0	105.9	D59 G63	D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 3.1Å; F61-G63 PolarHBondContact O-N 3.31Å
62	P	43.3	Very low	43	Very low	108 Å²	108	135.7 Å²	135.7	70%	0.701	73%	0.734	S	S	*	*			trans	-64.7	89.9	172.4	25.5	-31	0	0	0	105.5	A60 N64	A60-P62 WeakPolarHBondContact O-CD 3.27Å; A60-P62 VanDerWaalsContact O-N 3.07Å; P62-N64 PolarHBondContact O-N 3.17Å
63	G	45.8	Very low	43	Very low	70 Å²	70	136.7 Å²	136.7	72%	0.722	74%	0.736	S	S	*	*			trans	-66.1	83.1	174.2	0	0	0	0	0	106	F61 S65	F61-G63 PolarHBondContact O-N 3.31Å; G63-S65 PolarHBondContact O-N 3.36Å
64	N	41	Very low	43.2	Very low	124 Å²	124	134.3 Å²	134.3	66%	0.663	72%	0.718	S	S	*	*			trans	-56.6	94.2	159.3	-72	-17	0	0	0	104.8	P62 Y66	P62-N64 PolarHBondContact O-N 3.17Å; N64-Y66 VanDerWaalsContact O-CD2 3.25Å; N64-Y66 WeakPolarHBondContact O-CD2 3.4Å; N64-Y66 PolarHBondContact O-N 2.97Å
65	S	43.2	Very low	43.5	Very low	91 Å²	91	130.9 Å²	130.9	64%	0.636	72%	0.715	S	S	*	*			trans	-57.9	107.4	175.6	175.8	0	0	0	0	106.8	G63 F67	G63-S65 PolarHBondContact O-N 3.36Å; S65-F67 PolarHBondContact O-N 2.9Å; S65-F67 VanDerWaalsContact O-N 3.08Å; S65-F67 PolarHBondContact OG-N 3.48Å; S65-F67 PolarHBondContact OG-O 3.47Å
66	Y	43.9	Very low	44	Very low	212 Å²	212	135.2 Å²	135.2	83%	0.831	72%	0.724	S	S	*	*	S	Bend	trans	-69.5	4.6	173.5	-79.8	-84.6	0	0	0	112.7	N64	N64-Y66 VanDerWaalsContact O-CD2 3.25Å; N64-Y66 WeakPolarHBondContact O-CD2 3.4Å; N64-Y66 PolarHBondContact O-N 2.97Å
67	F	42	Very low	43.7	Very low	147 Å²	147	137.9 Å²	137.9	65%	0.645	72%	0.721	S	S	*	*			trans	-108.7	105.2	170.7	-61.2	-82.1	0	0	0	109.1	S65 Y69	S65-F67 PolarHBondContact O-N 2.9Å; S65-F67 VanDerWaalsContact O-N 3.08Å; S65-F67 PolarHBondContact OG-N 3.48Å; S65-F67 PolarHBondContact OG-O 3.47Å; F67-Y69 HydrophobicContact CB-CD2 3.82Å; F67-Y69 HydrophobicContact CG-CD2 4.32Å; F67-Y69 PolarHBondContact O-N 2.85Å
68	S	42	Very low	43.6	Very low	124 Å²	124	139.7 Å²	139.7	87%	0.867	73%	0.725	S	S	*	*			trans	-65.9	73.9	149.5	179.5	0	0	0	0	106.5	E70	S68-E70 VanDerWaalsContact C-N 3.33Å; S68-E70 PolarHBondContact O-N 3.44Å
69	Y	42.2	Very low	43.7	Very low	171 Å²	171	139.8 Å²	139.8	67%	0.671	73%	0.728	S	S	*	*			trans	-69.9	99.1	177.8	-133	-87.1	0	0	0	106.3	F67	F67-Y69 HydrophobicContact CB-CD2 3.82Å; F67-Y69 HydrophobicContact CG-CD2 4.32Å; F67-Y69 PolarHBondContact O-N 2.85Å
70	E	43.9	Very low	43.7	Very low	128 Å²	128	140.7 Å²	140.7	60%	0.598	73%	0.733	S	S	*	*			trans	66.3	100.4	151.9	-60.1	171	169.5	0	0	114.2	S68 T72	S68-E70 VanDerWaalsContact C-N 3.33Å; S68-E70 PolarHBondContact O-N 3.44Å; E70-T72 PolarHBondContact O-N 2.97Å
71	D	43.3	Very low	43.5	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	74%	0.736	S	S	*	*	S	Bend		-8.3	62.7	86.6	-78.6	-11.7	0	0	0	114.5	K73	D71-K73 PolarHBondContact O-N 3.09Å
72	T	43.3	Very low	43.4	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	73%	0.728	S	S	*	*				21.5	77	126.9	43.9	0	0	0	0	115.1	E70	E70-T72 PolarHBondContact O-N 2.97Å
73	K	43.3	Very low	43.3	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	73%	0.725	S	S	*	*			trans	-102.1	84.9	139.2	-74	-161.7	177.1	-170.2	0	107.7	D71 P75	D71-K73 PolarHBondContact O-N 3.09Å; K73-P75 WeakPolarHBondContact O-CD 3.43Å; K73-P75 VanDerWaalsContact O-N 3.12Å
74	D	46.5	Very low	43	Very low	76 Å²	76	144.1 Å²	144.1	41%	0.406	73%	0.726	S	S	.	*			trans	-49.8	107.4	171.8	179.5	3.6	0	0	0	109.7	F76 K77	D74-F76 PolarHBondContact O-N 2.94Å; D74-F76 WeakPolarHBondContact OD1-CB 3.39Å; D74-F76 WeakPolarHBondContact OD1-CD2 3.32Å; D74-F76 PolarHBondContact OD1-N 3.05Å; D74-K77 PolarHBondContact O-N 3.42Å
75	P	49.7	Very low	43	Very low	114 Å²	114	148.3 Å²	148.3	74%	0.74	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-5.8	-179.2	26.9	-32.3	0	0	0	112.8	K73	K73-P75 WeakPolarHBondContact O-CD 3.43Å; K73-P75 VanDerWaalsContact O-N 3.12Å
76	F	53	Low	42.8	Very low	188 Å²	188	152.7 Å²	152.7	83%	0.825	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	1.5	178.1	-56.7	-72.4	0	0	0	114.1	D74	D74-F76 PolarHBondContact O-N 2.94Å; D74-F76 WeakPolarHBondContact OD1-CB 3.39Å; D74-F76 WeakPolarHBondContact OD1-CD2 3.32Å; D74-F76 PolarHBondContact OD1-N 3.05Å
77	K	40.9	Very low	42.2	Very low	168 Å²	168	148.1 Å²	148.1	73%	0.73	74%	0.737	S	S	*	*			trans	-107.8	81	172.5	-87.3	-175.5	176.9	175.4	0	111.2	D74	D74-K77 PolarHBondContact O-N 3.42Å
78	E	40.6	Very low	41.8	Very low	180 Å²	180	151 Å²	151	84%	0.841	75%	0.745	S	S	*	*	S	Bend		-172.6	130.9	129.1	-102.4	164.5	-159.4	0	0	110.3
79	E	45.3	Very low	41.7	Very low	166 Å²	166	152.2 Å²	152.2	78%	0.776	74%	0.742	S	S	*	*			trans	65.6	73.9	159.3	-60.1	-174.3	164.5	0	0	118.2	I81	E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.45Å
80	N	40.5	Very low	41.5	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	74%	0.741	S	S	*	*				42.8	40.6	119.7	-146.8	19.9	0	0	0	118.1	T82	N80-T82 VanDerWaalsContact C-N 3.33Å; N80-T82 PolarHBondContact O-N 2.96Å
81	I	42.2	Very low	41.2	Very low	152 Å²	152	151.7 Å²	151.7	78%	0.779	75%	0.747	S	S	*	*			trans	-72.1	99.9	165.1	-57.6	177	0	0	0	105.9	E79 N83	E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.45Å; I81-N83 PolarHBondContact O-N 3.09Å
82	T	36.4	Very low	40.9	Very low	96 Å²	96	154.4 Å²	154.4	59%	0.589	75%	0.745	S	S	*	*			trans	-52.9	100.2	171.6	-37	0	0	0	0	107.2	N80 D84	N80-T82 VanDerWaalsContact C-N 3.33Å; N80-T82 PolarHBondContact O-N 2.96Å; T82-D84 PolarHBondContact O-N 3.08Å
83	N	39.6	Very low	40.5	Very low	119 Å²	119	156.6 Å²	156.6	64%	0.636	75%	0.747	S	S	*	*			trans	-80	67.7	-177.8	-135.6	5.3	0	0	0	107.9	I81 Y85	I81-N83 PolarHBondContact O-N 3.09Å; N83-Y85 PolarHBondContact O-N 3.22Å
84	D	40.8	Very low	40.1	Very low	140 Å²	140	154.9 Å²	154.9	75%	0.749	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	14.7	178.2	-81.6	-17	0	0	0	112.8	T82	T82-D84 PolarHBondContact O-N 3.08Å
85	Y	40.2	Very low	39.8	Very low	213 Å²	213	157.7 Å²	157.7	84%	0.835	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	5	-177.2	-122.8	-88.5	0	0	0	115.2	N83	N83-Y85 PolarHBondContact O-N 3.22Å
86	Y	38.7	Very low	39	Very low	182 Å²	182	160 Å²	160	71%	0.714	76%	0.757	S	S	*	*			trans	-107	63	168.2	-64.8	-77.4	0	0	0	110.1	Y88	Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 3.15Å
87	S	32.1	Very low	38.3	Very low	116 Å²	116	155.5 Å²	155.5	81%	0.811	75%	0.748	S	S	*	*			trans	-64.3	105	148.9	-137.4	0	0	0	0	106	D89	S87-D89 VanDerWaalsContact C-N 3.33Å; S87-D89 PolarHBondContact O-N 3.05Å
88	Y	32.8	Very low	38.1	Very low	208 Å²	208	157 Å²	157	82%	0.816	76%	0.758	S	S	*	*			trans	-51.9	90.8	173	-92.3	-109.1	0	0	0	109.9	Y86 D90	Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 3.15Å; Y88-D90 PolarHBondContact O-N 3.49Å
89	D	40.1	Very low	38.1	Very low	149 Å²	149	150 Å²	150	80%	0.797	73%	0.734	S	S	*	*			trans	-87.1	95.6	158.4	-113.7	-26.1	0	0	0	107.3	S87 K91	S87-D89 VanDerWaalsContact C-N 3.33Å; S87-D89 PolarHBondContact O-N 3.05Å; D89-K91 PolarHBondContact O-N 3.46Å
90	D	38.5	Very low	37.9	Very low	122 Å²	122	148.6 Å²	148.6	65%	0.652	73%	0.732	S	S	*	*			trans	-66.8	52.4	-173.9	-160.1	9.4	0	0	0	112.5	Y88	Y88-D90 PolarHBondContact O-N 3.49Å
91	K	38.1	Very low	37.6	Very low	167 Å²	167	144.3 Å²	144.3	73%	0.726	73%	0.725	S	S	*	*			trans	-116.5	65.5	176.5	-68.4	-172.2	-174.9	173.3	0	110.9	D89 H93	D89-K91 PolarHBondContact O-N 3.46Å; K91-H93 PolarHBondContact O-N 3.15Å; K91-H93 PolarHBondContact O-ND1 3.31Å
92	R	36.7	Very low	37.3	Very low	212 Å²	212	147.3 Å²	147.3	80%	0.8	73%	0.727	S	S	*	*			trans	14.5	82.3	135.7	-53.6	-175.3	-170.6	-162.4	1	113.6
93	H	35.8	Very low	37.7	Very low	165 Å²	165	152.8 Å²	152.8	76%	0.764	74%	0.738	S	S	*	*			trans	-98.4	83.3	151	-88.2	55.5	0	0	0	106	K91 I95	K91-H93 PolarHBondContact O-N 3.15Å; K91-H93 PolarHBondContact O-ND1 3.31Å; H93-I95 HydrophobicContact CB-CG1 4.38Å; H93-I95 PolarHBondContact O-N 3.44Å
94	E	33.1	Very low	37.7	Very low	163 Å²	163	153.9 Å²	153.9	76%	0.762	74%	0.744	S	S	*	*			trans	-62.3	81.1	161.5	-170	167.9	-130.1	0	0	106.5	E96	E94-E96 HydrophobicContact CG-CG 4.16Å
95	I	40.2	Very low	37.7	Very low	134 Å²	134	157 Å²	157	69%	0.687	75%	0.746	S	S	*	*			trans	-100.5	83.2	164.2	-53	177.3	0	0	0	104.7	H93 S97	H93-I95 HydrophobicContact CB-CG1 4.38Å; H93-I95 PolarHBondContact O-N 3.44Å; I95-S97 PolarHBondContact O-N 3.06Å
96	E	34.2	Very low	38	Very low	163 Å²	163	153.6 Å²	153.6	76%	0.762	74%	0.743	S	S	*	*			trans	-55.3	103.4	162.9	-64.1	176.9	165	0	0	107.6	E94	E94-E96 HydrophobicContact CG-CG 4.16Å
97	S	38.5	Very low	38.1	Very low	93 Å²	93	153.8 Å²	153.8	65%	0.65	75%	0.748	S	S	*	*			trans	-126.8	86.4	160.6	-171.4	0	0	0	0	107.4	I95 G99	I95-S97 PolarHBondContact O-N 3.06Å; S97-G99 PolarHBondContact O-N 3.42Å; S97-G99 PolarHBondContact OG-N 3.45Å
98	E	37	Very low	38.4	Very low	200 Å²	200	154.8 Å²	154.8	94%	0.935	74%	0.744	S	S	*	*			trans	-68.8	18	160.3	-64.5	-168.2	157.5	0	0	111.8	N100	E98-N100 PolarHBondContact O-N 2.95Å
99	G	38.7	Very low	38.9	Very low	33 Å²	33	151.1 Å²	151.1	34%	0.34	74%	0.739	S	S	.	*	S	Bend	trans	-83.1	85.2	173.8	0	0	0	0	0	111.1	S97 G101	S97-G99 PolarHBondContact O-N 3.42Å; S97-G99 PolarHBondContact OG-N 3.45Å; G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 3.35Å
100	N	41	Very low	38.9	Very low	136 Å²	136	151.9 Å²	151.9	73%	0.727	74%	0.737	S	S	*	*			trans	25.7	51.5	146	55.1	-38.4	0	0	0	118.1	E98 W102	E98-N100 PolarHBondContact O-N 2.95Å; N100-W102 PolarHBondContact O-N 3.3Å
101	G	35	Very low	39	Very low	67 Å²	67	150.2 Å²	150.2	69%	0.691	74%	0.735	S	S	*	*	S	Bend	trans	59.4	0.1	155.8	0	0	0	0	0	119.2	G99 Y103	G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 3.35Å; G101-Y103 PolarHBondContact O-N 2.87Å
102	W	36	Very low	38.7	Very low	215 Å²	215	152.7 Å²	152.7	81%	0.814	74%	0.742	S	S	*	*			trans	-86.7	103.4	178.9	-67.3	100.7	0	0	0	109.5	N100 N104	N100-W102 PolarHBondContact O-N 3.3Å; W102-N104 PolarHBondContact O-N 3.17Å; W102-N104 VanDerWaalsContact O-N 3.08Å
103	Y	44.6	Very low	38.6	Very low	211 Å²	211	150 Å²	150	83%	0.827	74%	0.74	S	S	*	*			trans	-61.5	106.5	166.8	-72.3	-94.5	0	0	0	108.5	G101 Y105	G101-Y103 PolarHBondContact O-N 2.87Å; Y103-Y105 PolarHBondContact O-N 3.38Å
104	N	40.7	Very low	38.4	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	74%	0.743	S	S	*	*			trans	-66.8	104	166.8	-72.6	-45.8	0	0	0	107.5	W102 D106	W102-N104 PolarHBondContact O-N 3.17Å; W102-N104 VanDerWaalsContact O-N 3.08Å; N104-D106 VanDerWaalsContact C-N 3.33Å; N104-D106 PolarHBondContact O-N 2.89Å; N104-D106 VanDerWaalsContact O-N 3.08Å
105	Y	40.2	Very low	38.3	Very low	204 Å²	204	149.2 Å²	149.2	80%	0.8	75%	0.747	S	S	*	*			trans	-69.8	97.5	161.9	-100.2	-95.1	0	0	0	106.4	Y103 F107	Y103-Y105 PolarHBondContact O-N 3.38Å; Y105-F107 PolarHBondContact O-N 2.87Å
106	D	45.2	Very low	38	Very low	143 Å²	143	151.9 Å²	151.9	77%	0.765	75%	0.753	S	S	*	*			trans	-65.1	88.1	172.1	-77.6	-26.8	0	0	0	108.9	N104 N108	N104-D106 VanDerWaalsContact C-N 3.33Å; N104-D106 PolarHBondContact O-N 2.89Å; N104-D106 VanDerWaalsContact O-N 3.08Å; D106-N108 PolarHBondContact O-N 2.81Å
107	F	41.3	Very low	38	Very low	186 Å²	186	151.5 Å²	151.5	82%	0.816	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	45	174.9	-125.3	-76.8	0	0	0	110.2	Y105	Y105-F107 PolarHBondContact O-N 2.87Å
108	N	39.2	Very low	37.8	Very low	136 Å²	136	153.3 Å²	153.3	73%	0.727	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.3	24.8	-175.9	-91.4	-20.7	0	0	0	113.8	D106 E110	D106-N108 PolarHBondContact O-N 2.81Å; N108-E110 PolarHBondContact O-N 3.34Å
109	D	42	Very low	37.5	Very low	132 Å²	132	148.4 Å²	148.4	71%	0.706	75%	0.747	S	S	*	*			trans	-76.6	69.8	166.3	-149.6	-5.7	0	0	0	109.7	S111	D109-S111 PolarHBondContact O-N 3.39Å; D109-S111 VanDerWaalsContact OD1-CB 3.27Å; D109-S111 WeakPolarHBondContact OD1-CB 3.23Å; D109-S111 PolarHBondContact OD1-OG 3.35Å
110	E	40.1	Very low	37.6	Very low	165 Å²	165	152.7 Å²	152.7	77%	0.771	76%	0.761	S	S	*	*			trans	-76	27	167.3	-70.6	-169.7	158.5	0	0	111.4	N108 Y112	N108-E110 PolarHBondContact O-N 3.34Å; E110-Y112 PolarHBondContact O-N 2.97Å
111	S	40.3	Very low	37.4	Very low	87 Å²	87	155.5 Å²	155.5	61%	0.608	77%	0.767	S	S	*	*			trans	-74	46.8	169.9	66.2	0	0	0	0	112.3	D109 M113	D109-S111 PolarHBondContact O-N 3.39Å; D109-S111 VanDerWaalsContact OD1-CB 3.27Å; D109-S111 WeakPolarHBondContact OD1-CB 3.23Å; D109-S111 PolarHBondContact OD1-OG 3.35Å; S111-M113 PolarHBondContact O-N 2.89Å
112	Y	32.5	Very low	37.5	Very low	218 Å²	218	159.9 Å²	159.9	86%	0.855	77%	0.774	S	S	*	*			trans	-71.7	59.8	158	-100.1	-85.5	0	0	0	109.7	E110	E110-Y112 PolarHBondContact O-N 2.97Å
113	M	35.2	Very low	37.3	Very low	155 Å²	155	152 Å²	152	76%	0.764	76%	0.76	S	S	*	*			trans	-146.2	72.2	178.7	-67.5	-65.6	169.9	0	0	111.6	S111	S111-M113 PolarHBondContact O-N 2.89Å
114	N	30.6	Very low	36.9	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	76%	0.756	S	S	*	*				169.1	110.8	119.7	-94.1	-56.3	0	0	0	111	K116	N114-K116 PolarHBondContact O-N 3.32Å
115	D	32.7	Very low	36.8	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	75%	0.747	S	S	*	*			trans	-45.4	116.3	144.5	-83.5	-39.2	0	0	0	110
116	K	33.3	Very low	36.8	Very low	190 Å²	190	144.1 Å²	144.1	83%	0.826	75%	0.746	S	S	*	*			trans	157.9	91.6	144.2	-90	161.5	-176.5	177.2	0	108.9	N114	N114-K116 PolarHBondContact O-N 3.32Å
117	N	34.4	Very low	36.6	Very low	155 Å²	155	143 Å²	143	83%	0.829	74%	0.741	S	S	*	*	S	Bend	trans	174.6	84.5	140.1	-83.8	-14	0	0	0	105.3
118	D	32.8	Very low	36.5	Very low	132 Å²	132	140.4 Å²	140.4	71%	0.706	74%	0.735	S	S	*	*				88.8	98.9	100.7	-119.2	-3	0	0	0	110.7	I120	D118-I120 PolarHBondContact O-N 2.77Å
119	S	32.7	Very low	36.4	Very low	96 Å²	96	142.8 Å²	142.8	67%	0.671	74%	0.739	S	S	*	*			trans	-45.8	84.3	166.4	49.3	0	0	0	0	114
120	I	39.4	Very low	36.5	Very low	124 Å²	124	146.6 Å²	146.6	64%	0.636	75%	0.745	S	S	*	*			trans	-115.1	-3.3	175.3	-73	-179.4	0	0	0	114.9	D118	D118-I120 PolarHBondContact O-N 2.77Å
121	F	36.9	Very low	36.7	Very low	195 Å²	195	148.3 Å²	148.3	86%	0.855	75%	0.746	S	S	*	*			trans	-132.5	70.8	168.5	-78.4	-83.4	0	0	0	112.3	G123	F121-G123 PolarHBondContact O-N 3.19Å
122	D	38	Very low	36.6	Very low	159 Å²	159	146.5 Å²	146.5	85%	0.85	74%	0.741	S	S	*	*			trans	-70.4	51.1	155	-83.1	-29.6	0	0	0	110.8
123	G	32	Very low	37.1	Very low	49 Å²	49	143.6 Å²	143.6	51%	0.505	74%	0.739	S	S	.	*			trans	-98.9	114.9	165.8	0	0	0	0	0	107.5	F121 D125	F121-G123 PolarHBondContact O-N 3.19Å; G123-D125 VanDerWaalsContact C-N 3.34Å; G123-D125 PolarHBondContact O-N 2.86Å
124	P	36.2	Very low	37.5	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	74%	0.74	S	S	*	*			trans	-59.4	104.6	167.9	25.3	-31.1	0	0	0	106.5	E126	P124-E126 PolarHBondContact O-N 2.98Å
125	D	38.1	Very low	38	Very low	108 Å²	108	145.2 Å²	145.2	58%	0.578	74%	0.737	S	S	*	*			trans	-60.2	106.3	174.7	-164.1	-15.9	0	0	0	106.2	G123 N127 D128	G123-D125 VanDerWaalsContact C-N 3.34Å; G123-D125 PolarHBondContact O-N 2.86Å; D125-N127 PolarHBondContact O-N 3.24Å; D125-N127 WeakPolarHBondContact OD1-CB 3.5Å; D125-N127 PolarHBondContact OD1-N 2.9Å; D125-N127 PolarHBondContact OD1-ND2 2.89Å; D125-D128 PolarHBondContact O-N 2.76Å
126	E	40.9	Very low	38.3	Very low	167 Å²	167	146.9 Å²	146.9	78%	0.78	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-61.8	-7.9	-174	-65.8	-172.5	153.7	0	0	112	P124 D128	P124-E126 PolarHBondContact O-N 2.98Å; E126-D128 VanDerWaalsContact C-N 3.32Å; E126-D128 PolarHBondContact O-N 2.66Å
127	N	39.6	Very low	38.7	Very low	121 Å²	121	142.5 Å²	142.5	65%	0.647	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-72.5	-18.2	177.2	-65.1	-43	0	0	0	114	D125 K129	D125-N127 PolarHBondContact O-N 3.24Å; D125-N127 WeakPolarHBondContact OD1-CB 3.5Å; D125-N127 PolarHBondContact OD1-N 2.9Å; D125-N127 PolarHBondContact OD1-ND2 2.89Å; N127-K129 VanDerWaalsContact C-N 3.3Å; N127-K129 PolarHBondContact O-N 2.73Å
128	D	38.7	Very low	39.1	Very low	130 Å²	130	147.1 Å²	147.1	70%	0.695	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-82.5	-3.6	-179.6	-85.2	-4.6	0	0	0	114.4	D125 E126 Y130	D125-D128 PolarHBondContact O-N 2.76Å; E126-D128 VanDerWaalsContact C-N 3.32Å; E126-D128 PolarHBondContact O-N 2.66Å; D128-Y130 VanDerWaalsContact C-N 3.29Å; D128-Y130 PolarHBondContact O-N 3.06Å
129	K	39	Very low	39.4	Very low	186 Å²	186	150.8 Å²	150.8	81%	0.809	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-77.2	-10.3	-175	-129.8	175.4	-171.2	173.1	0	114.8	N127	N127-K129 VanDerWaalsContact C-N 3.3Å; N127-K129 PolarHBondContact O-N 2.73Å
130	Y	44	Very low	40	Very low	213 Å²	213	150 Å²	150	84%	0.835	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-101.4	-3.2	-172.6	-86.8	-82	0	0	0	115.8	D128 G132	D128-Y130 VanDerWaalsContact C-N 3.29Å; D128-Y130 PolarHBondContact O-N 3.06Å; Y130-G132 PolarHBondContact O-N 3.04Å
131	Y	42.5	Very low	40.2	Very low	200 Å²	200	153.8 Å²	153.8	78%	0.784	73%	0.728	S	S	*	*	S	Bend	trans	-86.6	71.6	164.9	-64	-74.4	0	0	0	109.3	I133	Y131-I133 PolarHBondContact O-N 2.73Å; Y131-I133 VanDerWaalsContact O-N 3.1Å
132	G	38.6	Very low	40.6	Very low	50 Å²	50	149.4 Å²	149.4	52%	0.515	71%	0.714	S	S	.	*			trans	-47	120	165.7	0	0	0	0	0	109.2	Y130 D134	Y130-G132 PolarHBondContact O-N 3.04Å; G132-D134 PolarHBondContact O-N 3.06Å
133	I	44.4	Very low	41.1	Very low	157 Å²	157	146.9 Å²	146.9	81%	0.805	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-53.9	-2.7	176.9	-74	162	0	0	0	113.2	Y131 Y135	Y131-I133 PolarHBondContact O-N 2.73Å; Y131-I133 VanDerWaalsContact O-N 3.1Å; I133-Y135 PolarHBondContact O-N 3.01Å
134	D	43.7	Very low	41.8	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-85.2	-4.5	-172.3	-64.2	-28.1	0	0	0	114.9	G132 Y136	G132-D134 PolarHBondContact O-N 3.06Å; D134-Y136 VanDerWaalsContact C-N 3.27Å; D134-Y136 PolarHBondContact O-N 2.98Å
135	Y	39.4	Very low	42	Very low	198 Å²	198	151.8 Å²	151.8	78%	0.776	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-69.8	-25.4	-175.2	-129.4	-87.4	0	0	0	113.9	I133	I133-Y135 PolarHBondContact O-N 3.01Å
136	Y	39.9	Very low	42.4	Very low	190 Å²	190	153.8 Å²	153.8	75%	0.745	70%	0.697	S	S	*	*			trans	-150.5	116.8	164.1	-74.4	-81	0	0	0	108	D134 R138	D134-Y136 VanDerWaalsContact C-N 3.27Å; D134-Y136 PolarHBondContact O-N 2.98Å; Y136-R138 PolarHBondContact O-N 3.07Å
137	P	41.4	Very low	42.7	Very low	97 Å²	97	154.2 Å²	154.2	63%	0.63	69%	0.691	S	S	*	*			trans	-51.8	122.3	156.9	22.3	-29.4	0	0	0	104.9	R139	P137-R139 PolarHBondContact O-N 3.42Å
138	R	43.3	Very low	42.9	Very low	252 Å²	252	155.8 Å²	155.8	95%	0.951	69%	0.693	S	S	*	*			trans	-54.6	74.2	167.5	-87.7	174.9	148	-156.2	-1	107.3	Y136 D140	Y136-R138 PolarHBondContact O-N 3.07Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 3.08Å
139	R	39.8	Very low	42.9	Very low	210 Å²	210	157.9 Å²	157.9	79%	0.792	69%	0.692	S	S	*	*			trans	-64.9	108.3	164.5	-82.8	-173.7	-179.9	173.4	2.5	102.4	P137 R141	P137-R139 PolarHBondContact O-N 3.42Å; R139-R141 VanDerWaalsContact C-N 3.3Å; R139-R141 PolarHBondContact O-N 2.95Å
140	D	44.9	Very low	43.2	Very low	78 Å²	78	158.4 Å²	158.4	42%	0.417	69%	0.689	S	S	.	*			trans	-38.1	95	177.8	-177	7.6	0	0	0	109.4	R138 N142 E143	R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 PolarHBondContact O-N 3.08Å; D140-N142 PolarHBondContact O-N 3.15Å; D140-N142 WeakPolarHBondContact OD1-CA 3.47Å; D140-N142 WeakPolarHBondContact OD1-CB 3.25Å; D140-N142 PolarHBondContact OD1-N 2.77Å; D140-E143 PolarHBondContact O-N 2.58Å
141	R	43.2	Very low	43.4	Very low	205 Å²	205	150.9 Å²	150.9	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-58.9	-21.5	178.9	-72.1	-168.6	-68.8	-153.5	-0.5	109.6	R139 E143 F145	R139-R141 VanDerWaalsContact C-N 3.3Å; R139-R141 PolarHBondContact O-N 2.95Å; R141-E143 VanDerWaalsContact C-N 3.27Å; R141-E143 PolarHBondContact O-N 2.95Å; R141-F145 WeakPolarHBondContact O-CD2 3.44Å; R141-F145 PolarHBondContact O-N 3.29Å
142	N	45.7	Very low	43.5	Very low	103 Å²	103	148.3 Å²	148.3	55%	0.551	66%	0.66	S	S	*	*	H	α-helix	trans	-70.4	-20.4	175.8	-58.8	-26.1	0	0	0	112.9	D140 R146	D140-N142 PolarHBondContact O-N 3.15Å; D140-N142 WeakPolarHBondContact OD1-CA 3.47Å; D140-N142 WeakPolarHBondContact OD1-CB 3.25Å; D140-N142 PolarHBondContact OD1-N 2.77Å; N142-R146 VanDerWaalsContact O-CB 3.23Å; N142-R146 WeakPolarHBondContact O-CB 3.13Å; N142-R146 PolarHBondContact O-N 2.86Å
143	E	48	Very low	43.7	Very low	105 Å²	105	155.2 Å²	155.2	49%	0.491	67%	0.671	S	S	.	*	H	α-helix	trans	-74.4	-44.3	178.7	-158.3	-172.9	154.6	0	0	111.7	D140 R141 R146 R147	D140-E143 PolarHBondContact O-N 2.58Å; R141-E143 VanDerWaalsContact C-N 3.27Å; R141-E143 PolarHBondContact O-N 2.95Å; E143-R146 PolarHBondContact O-N 2.94Å; E143-R147 PolarHBondContact O-N 3.49Å; E143-R147 IonicContact OE1-NH2 2.95Å; E143-R147 PolarHBondContact OE1-NH2 3.03Å
144	I	46.1	Very low	43.4	Very low	131 Å²	131	153.9 Å²	153.9	67%	0.672	66%	0.661	S	S	*	*	H	α-helix	trans	-65.4	-43.3	178.2	-63	174.8	0	0	0	110.1	R147 K148	I144-R147 PolarHBondContact O-N 2.81Å; I144-K148 PolarHBondContact O-N 3.1Å
145	F	41.1	Very low	43.3	Very low	139 Å²	139	152.3 Å²	152.3	61%	0.61	65%	0.652	S	S	*	*	H	α-helix	trans	-65.4	-40	176.2	-91.3	-86.1	0	0	0	112.5	R141 R147 K148 Y149	R141-F145 WeakPolarHBondContact O-CD2 3.44Å; R141-F145 PolarHBondContact O-N 3.29Å; F145-R147 PolarHBondContact O-N 2.86Å; F145-K148 PolarHBondContact O-N 2.79Å; F145-Y149 PolarHBondContact O-N 3.03Å; F145-Y149 VanDerWaalsContact O-N 3.15Å
146	R	45.9	Very low	43.3	Very low	150 Å²	150	147.1 Å²	147.1	57%	0.566	64%	0.64	S	S	*	*	H	α-helix	trans	-63.3	-39.1	176.4	-96.4	-174.1	-83.3	-148.8	-1.5	112.9	N142 E143 Y149 R150	N142-R146 VanDerWaalsContact O-CB 3.23Å; N142-R146 WeakPolarHBondContact O-CB 3.13Å; N142-R146 PolarHBondContact O-N 2.86Å; E143-R146 PolarHBondContact O-N 2.94Å; R146-Y149 PolarHBondContact O-N 3.04Å; R146-R150 PolarHBondContact O-N 3.08Å
147	R	47.5	Very low	43.2	Very low	176 Å²	176	141 Å²	141	66%	0.664	62%	0.623	S	S	*	*	H	α-helix	trans	-67.2	-39.4	-178.6	-155.6	176.9	-65.4	179.7	1.2	111.6	E143 I144 F145 R150 S151	E143-R147 PolarHBondContact O-N 3.49Å; E143-R147 IonicContact OE1-NH2 2.95Å; E143-R147 PolarHBondContact OE1-NH2 3.03Å; I144-R147 PolarHBondContact O-N 2.81Å; F145-R147 PolarHBondContact O-N 2.86Å; R147-R150 PolarHBondContact O-N 3.3Å; R147-S151 PolarHBondContact O-N 2.73Å
148	K	44	Very low	43.1	Very low	154 Å²	154	143 Å²	143	67%	0.67	62%	0.624	S	S	*	*	H	α-helix	trans	-70.4	-34.4	178.4	-147	176.5	-167.9	-178.7	0	112.7	I144 F145 S151 K152	I144-K148 PolarHBondContact O-N 3.1Å; F145-K148 PolarHBondContact O-N 2.79Å; K148-S151 PolarHBondContact O-OG 2.78Å; K148-K152 PolarHBondContact O-N 3.17Å
149	Y	37.6	Very low	43	Very low	173 Å²	173	135 Å²	135	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-74.3	-33.3	175.6	-101.4	-84.7	0	0	0	113.4	F145 R146 R153	F145-Y149 PolarHBondContact O-N 3.03Å; F145-Y149 VanDerWaalsContact O-N 3.15Å; R146-Y149 PolarHBondContact O-N 3.04Å; Y149-R153 PolarHBondContact O-N 2.79Å
150	R	45.9	Very low	42.9	Very low	197 Å²	197	129 Å²	129	74%	0.743	60%	0.602	S	S	*	*	H	α-helix	trans	-66.1	-39.8	174.9	-80.8	-168.4	-178.5	-164.4	1.7	112.6	R146 R147 R153 Q154	R146-R150 PolarHBondContact O-N 3.08Å; R147-R150 PolarHBondContact O-N 3.3Å; R150-R153 PolarHBondContact O-N 2.83Å; R150-Q154 PolarHBondContact O-N 3.07Å; R150-Q154 VanDerWaalsContact O-N 3.11Å
151	S	49.1	Very low	42.3	Very low	55 Å²	55	133.6 Å²	133.6	39%	0.385	62%	0.615	S	S	.	*	H	α-helix	trans	-66.6	-39.6	178.3	73.4	0	0	0	0	112.3	R147 K148 R153 Q154 I155	R147-S151 PolarHBondContact O-N 2.73Å; K148-S151 PolarHBondContact O-OG 2.78Å; S151-R153 VanDerWaalsContact C-N 3.33Å; S151-R153 PolarHBondContact O-N 2.97Å; S151-Q154 PolarHBondContact O-N 3.05Å; S151-Q154 VanDerWaalsContact O-N 3.16Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 3.23Å; S151-I155 VanDerWaalsContact O-N 3.08Å
152	K	44.1	Very low	41.9	Very low	147 Å²	147	129.4 Å²	129.4	64%	0.639	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-35.6	175.9	-81.4	-166.8	174.6	-170.4	0	113.1	K148 T156	K148-K152 PolarHBondContact O-N 3.17Å; K152-T156 PolarHBondContact O-N 2.93Å; K152-T156 PolarHBondContact O-OG1 3.17Å
153	R	42	Very low	41.4	Very low	195 Å²	195	130.6 Å²	130.6	74%	0.736	62%	0.623	S	S	*	*	H	α-helix	trans	-67.2	-40.5	172.3	-88.7	-165.6	-179.3	-150.6	1.3	111.9	Y149 R150 S151 I155 T156 T157	Y149-R153 PolarHBondContact O-N 2.79Å; R150-R153 PolarHBondContact O-N 2.83Å; S151-R153 VanDerWaalsContact C-N 3.33Å; S151-R153 PolarHBondContact O-N 2.97Å; R153-I155 PolarHBondContact O-N 3.32Å; R153-T156 WeakPolarHBondContact CA-OG1 3.22Å; R153-T156 PolarHBondContact O-N 3.08Å; R153-T156 PolarHBondContact O-OG1 3.48Å; R153-T157 PolarHBondContact O-N 2.6Å; R153-T157 PolarHBondContact O-OG1 3.18Å
154	Q	39	Very low	40.6	Very low	129 Å²	129	132.6 Å²	132.6	60%	0.603	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-39.3	-179.5	-123.6	172.9	-14.9	0	0	112.7	R150 S151 T156 T157 E158	R150-Q154 PolarHBondContact O-N 3.07Å; R150-Q154 VanDerWaalsContact O-N 3.11Å; S151-Q154 PolarHBondContact O-N 3.05Å; S151-Q154 VanDerWaalsContact O-N 3.16Å; Q154-T156 VanDerWaalsContact C-N 3.33Å; Q154-T156 PolarHBondContact O-N 3.02Å; Q154-T157 PolarHBondContact O-N 3.39Å; Q154-E158 PolarHBondContact O-N 2.91Å
155	I	40.8	Very low	39.7	Very low	115 Å²	115	132 Å²	132	59%	0.59	64%	0.64	S	S	*	*	H	α-helix	trans	-66.9	-36.6	176	-62.5	168.3	0	0	0	111.1	S151 R153 A159	S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 3.23Å; S151-I155 VanDerWaalsContact O-N 3.08Å; R153-I155 PolarHBondContact O-N 3.32Å; I155-A159 WeakPolarHBondContact O-CB 3.33Å; I155-A159 PolarHBondContact O-N 3.5Å
156	T	40.7	Very low	39.3	Very low	88 Å²	88	133.4 Å²	133.4	54%	0.54	65%	0.646	S	S	.	*	H	α-helix	trans	-72.4	-32.8	175.9	32.6	0	0	0	0	112.8	K152 R153 Q154 S160	K152-T156 PolarHBondContact O-N 2.93Å; K152-T156 PolarHBondContact O-OG1 3.17Å; R153-T156 WeakPolarHBondContact CA-OG1 3.22Å; R153-T156 PolarHBondContact O-N 3.08Å; R153-T156 PolarHBondContact O-OG1 3.48Å; Q154-T156 VanDerWaalsContact C-N 3.33Å; Q154-T156 PolarHBondContact O-N 3.02Å; T156-S160 PolarHBondContact O-OG 2.89Å
157	T	37.8	Very low	38.6	Very low	63 Å²	63	131.5 Å²	131.5	39%	0.387	66%	0.656	S	S	.	*	H	α-helix	trans	-70.8	-40.4	172	-10.9	0	0	0	0	112.1	R153 Q154 A159 S160 Y161	R153-T157 PolarHBondContact O-N 2.6Å; R153-T157 PolarHBondContact O-OG1 3.18Å; Q154-T157 PolarHBondContact O-N 3.39Å; T157-A159 VanDerWaalsContact C-N 3.32Å; T157-A159 PolarHBondContact O-N 3.46Å; T157-S160 PolarHBondContact O-N 3.01Å; T157-Y161 HydrophobicContact CG2-CE2 3.55Å; T157-Y161 WeakPolarHBondContact O-CD2 3.27Å; T157-Y161 VanDerWaalsContact O-CE2 3.28Å; T157-Y161 WeakPolarHBondContact O-CE2 3.35Å
158	E	38.2	Very low	37.6	Very low	139 Å²	139	128.2 Å²	128.2	65%	0.65	66%	0.655	S	S	*	*	H	α-helix	trans	-66.1	-34.4	177.9	-76.2	-176.3	-173.2	0	0	112.6	Q154 S160	Q154-E158 PolarHBondContact O-N 2.91Å; E158-S160 PolarHBondContact O-N 2.85Å; E158-S160 VanDerWaalsContact O-N 3.17Å
159	A	40.8	Very low	36.9	Very low	83 Å²	83	129 Å²	129	69%	0.686	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-16.9	173.6	0	0	0	0	0	113.4	I155 T157	I155-A159 WeakPolarHBondContact O-CB 3.33Å; I155-A159 PolarHBondContact O-N 3.5Å; T157-A159 VanDerWaalsContact C-N 3.32Å; T157-A159 PolarHBondContact O-N 3.46Å
160	S	38.1	Very low	36.6	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-6.8	-174.7	-57	0	0	0	0	114.7	T156 T157 E158	T156-S160 PolarHBondContact O-OG 2.89Å; T157-S160 PolarHBondContact O-N 3.01Å; E158-S160 PolarHBondContact O-N 2.85Å; E158-S160 VanDerWaalsContact O-N 3.17Å
161	Y	32.7	Very low	36.1	Very low	174 Å²	174	124.7 Å²	124.7	68%	0.682	67%	0.668	S	S	*	*	S	Bend	trans	-112.2	3.3	-174.9	-58.6	-62.4	0	0	0	116.4	T157 T163	T157-Y161 HydrophobicContact CG2-CE2 3.55Å; T157-Y161 WeakPolarHBondContact O-CD2 3.27Å; T157-Y161 VanDerWaalsContact O-CE2 3.28Å; T157-Y161 WeakPolarHBondContact O-CE2 3.35Å; Y161-T163 VanDerWaalsContact C-N 3.27Å; Y161-T163 PolarHBondContact O-N 2.79Å
162	T	34.9	Very low	35.5	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	69%	0.691	S	S	*	*			trans	-93.2	61.8	171.2	-42.6	0	0	0	0	110.3	Q164	T162-Q164 PolarHBondContact O-N 2.93Å
163	T	34.2	Very low	35	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	70%	0.698	S	S	*	*			trans	-75.2	102	155	17.1	0	0	0	0	106.4	Y161 S165	Y161-T163 VanDerWaalsContact C-N 3.27Å; Y161-T163 PolarHBondContact O-N 2.79Å; T163-S165 PolarHBondContact O-N 2.78Å
164	Q	31.5	Very low	34.5	Very low	147 Å²	147	130.6 Å²	130.6	69%	0.687	70%	0.702	S	S	*	*			trans	-56.8	98.4	170.2	-77.6	174.8	-19.4	0	0	109	T162 F166	T162-Q164 PolarHBondContact O-N 2.93Å; Q164-F166 VanDerWaalsContact C-N 3.3Å; Q164-F166 HydrophobicContact CB-CD2 4.06Å; Q164-F166 HydrophobicContact CB-CE2 4.21Å; Q164-F166 PolarHBondContact O-N 3.23Å; Q164-F166 VanDerWaalsContact O-N 3.08Å
165	S	28.4	Very low	34.1	Very low	117 Å²	117	131.1 Å²	131.1	82%	0.818	71%	0.71	S	S	*	*			trans	-74.5	90.6	160.3	50.6	0	0	0	0	107.7	T163 S167	T163-S165 PolarHBondContact O-N 2.78Å; S165-S167 PolarHBondContact O-N 2.95Å; S165-S167 VanDerWaalsContact O-N 3.13Å
166	F	32.3	Very low	33.7	Very low	169 Å²	169	134.6 Å²	134.6	74%	0.741	72%	0.723	S	S	*	*			trans	-65.5	102.1	161	-90.7	-93.3	0	0	0	107.5	Q164	Q164-F166 VanDerWaalsContact C-N 3.3Å; Q164-F166 HydrophobicContact CB-CD2 4.06Å; Q164-F166 HydrophobicContact CB-CE2 4.21Å; Q164-F166 PolarHBondContact O-N 3.23Å; Q164-F166 VanDerWaalsContact O-N 3.08Å
167	S	30.2	Very low	33.1	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	73%	0.732	S	S	*	*			trans	-82.9	119.7	164.6	-160.3	0	0	0	0	108	S165	S165-S167 PolarHBondContact O-N 2.95Å; S165-S167 VanDerWaalsContact O-N 3.13Å
168	T	28	Very low	33	Very low	106 Å²	106	139.5 Å²	139.5	65%	0.65	75%	0.753	S	S	*	*			trans	-40.5	125.4	167.6	46	0	0	0	0	113.4
169	D	28.8	Very low	32.7	Very low	170 Å²	170	138.8 Å²	138.8	91%	0.909	76%	0.759	S	S	*	*				-139.1	101.7	125.7	-91	-30.8	0	0	0	107.8
170	T	30.3	Very low	32.6	Very low	94 Å²	94	139.1 Å²	139.1	58%	0.577	76%	0.761	S	S	*	*			trans	-98.8	99.5	177.4	-48.2	0	0	0	0	106.8	K173	T170-K173 HydrophobicContact CG2-CG 3.89Å
171	E	36.1	Very low	32.4	Very low	187 Å²	187	139.3 Å²	139.3	87%	0.874	77%	0.768	S	S	*	*	S	Bend	trans	-119.9	4.4	159.5	-139	173.6	-159.1	0	0	113.7
172	D	36.4	Very low	32.5	Very low	163 Å²	163	137.2 Å²	137.2	87%	0.872	77%	0.774	S	S	*	*	S	Bend	trans	-123.5	104.3	162.3	-78.5	-40.3	0	0	0	109.1
173	K	32.7	Very low	32.5	Very low	179 Å²	179	137.5 Å²	137.5	78%	0.778	78%	0.775	S	S	*	*			trans	-90.1	142.5	-172.2	-72.3	177.6	177.4	174.1	0	110.7	T170	T170-K173 HydrophobicContact CG2-CG 3.89Å
174	E	31.5	Very low	32.6	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	77%	0.769	S	S	*	*			trans	121	118.8	141	-149.1	162.3	-149.4	0	0	116.2
175	N	32.2	Very low	32.8	Very low	141 Å²	141	138.1 Å²	138.1	75%	0.754	78%	0.78	S	S	*	*			trans	79.1	64.8	166.6	-64.1	-20.8	0	0	0	119.9
176	Q	30.9	Very low	33	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	78%	0.777	S	S	*	*			trans	-84.4	116.6	144.9	-78	-173.6	0.5	0	0	109.5
177	T	30	Very low	33.2	Very low	120 Å²	120	135.5 Å²	135.5	74%	0.736	78%	0.778	S	S	*	*			trans	-114	102.5	162.8	-59.7	0	0	0	0	107.1
178	T	35.5	Very low	33.3	Very low	134 Å²	134	135.9 Å²	135.9	82%	0.822	78%	0.775	S	S	*	*			trans	-133.5	103.5	166.5	-50.9	0	0	0	0	108.8	A180	T178-A180 PolarHBondContact O-N 2.98Å
179	T	30.2	Very low	33.6	Very low	125 Å²	125	136 Å²	136	77%	0.767	78%	0.78	S	S	*	*			trans	-66.9	111.2	175.5	-53.8	0	0	0	0	109.9	A181	T179-A181 PolarHBondContact O-N 3.45Å
180	A	39.7	Very low	33.9	Very low	89 Å²	89	137.4 Å²	137.4	74%	0.736	78%	0.778	S	S	*	*			trans	-79.8	111.1	164.3	0	0	0	0	0	108.2	T178 T182	T178-A180 PolarHBondContact O-N 2.98Å; A180-T182 PolarHBondContact O-N 3.01Å; A180-T182 VanDerWaalsContact O-N 3.09Å
181	A	33.8	Very low	34.1	Very low	90 Å²	90	137 Å²	137	74%	0.744	78%	0.779	S	S	*	*			trans	-67.1	107.2	172.2	0	0	0	0	0	109	T179 V183	T179-A181 PolarHBondContact O-N 3.45Å; A181-V183 PolarHBondContact O-N 2.95Å
182	T	34	Very low	34	Very low	130 Å²	130	133 Å²	133	80%	0.798	78%	0.778	S	S	*	*			trans	-68.7	111.5	169.6	-52.7	0	0	0	0	108.3	A180 P184	A180-T182 PolarHBondContact O-N 3.01Å; A180-T182 VanDerWaalsContact O-N 3.09Å; T182-P184 WeakPolarHBondContact O-CD 3.47Å
183	V	36	Very low	34.1	Very low	122 Å²	122	133.5 Å²	133.5	74%	0.739	78%	0.775	S	S	*	*			trans	-73.9	118.8	166.7	-177.4	0	0	0	0	107.1	A181 M185	A181-V183 PolarHBondContact O-N 2.95Å; V183-M185 PolarHBondContact O-N 2.87Å
184	P	36.2	Very low	34.3	Very low	102 Å²	102	136.5 Å²	136.5	66%	0.662	80%	0.8	S	S	*	*			trans	-66.1	121	177.5	25	-30.9	0	0	0	109.4	T182 T186	T182-P184 WeakPolarHBondContact O-CD 3.47Å; P184-T186 PolarHBondContact O-N 2.97Å
185	M	34.9	Very low	34.5	Very low	187 Å²	187	134.4 Å²	134.4	92%	0.921	80%	0.798	S	S	*	*			trans	-76.1	103.8	166.1	-68.8	-155	-173.6	0	0	108.1	V183 S187	V183-M185 PolarHBondContact O-N 2.87Å; M185-S187 PolarHBondContact O-N 2.89Å
186	T	33.3	Very low	34.6	Very low	124 Å²	124	134.1 Å²	134.1	76%	0.761	80%	0.8	S	S	*	*			trans	-75.1	95	172.3	-38.2	0	0	0	0	108.5	P184 T188	P184-T186 PolarHBondContact O-N 2.97Å; T186-T188 PolarHBondContact O-N 2.78Å
187	S	36.1	Very low	34.8	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	80%	0.796	S	S	*	*			trans	-81.4	99.8	166.9	50.6	0	0	0	0	108.9	M185 S189	M185-S187 PolarHBondContact O-N 2.89Å; S187-S189 PolarHBondContact O-N 3.36Å; S187-S189 VanDerWaalsContact O-N 3.15Å
188	T	33	Very low	35.1	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	80%	0.8	S	S	*	*			trans	-79.9	94	172.4	-48.6	0	0	0	0	109.1	T186	T186-T188 PolarHBondContact O-N 2.78Å
189	S	33.9	Very low	35.1	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	80%	0.799	S	S	*	*			trans	-80.5	107.8	161.2	55.7	0	0	0	0	108.4	S187 S191	S187-S189 PolarHBondContact O-N 3.36Å; S187-S189 VanDerWaalsContact O-N 3.15Å; S189-S191 PolarHBondContact O-N 2.86Å
190	K	36	Very low	35.4	Very low	201 Å²	201	132.1 Å²	132.1	87%	0.874	80%	0.801	S	S	*	*			trans	-78.9	100.8	161.2	-97.2	-176.6	176	178.9	0	108.1
191	S	34.1	Very low	35.1	Very low	84 Å²	84	135.1 Å²	135.1	59%	0.587	81%	0.805	S	S	*	*			trans	-53.6	127.1	162.2	-178.5	0	0	0	0	109.4	S189 E193	S189-S191 PolarHBondContact O-N 2.86Å; S191-E193 PolarHBondContact O-N 3.06Å
192	A	33.6	Very low	35.2	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	81%	0.81	S	S	*	*			trans	-79.6	99.2	163.8	0	0	0	0	0	107
193	E	38.4	Very low	35.3	Very low	173 Å²	173	139.3 Å²	139.3	81%	0.808	81%	0.811	S	S	*	*			trans	-97.5	115.4	170.3	-83.6	177.6	-178.4	0	0	109.4	S191	S191-E193 PolarHBondContact O-N 3.06Å
194	N	38.1	Very low	35.2	Very low	242 Å²	242	140.9 Å²	140.9	100%	1.294	82%	0.818	S	S	*	*			trans	27.7	0	155.2	-87	-15.2	0	0	0	120.4

Retrieved 194 of 194 residues in 85.4 ms (Link to these results)

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