A0A5K4EZY1_SCHMA Loading...

DUF11 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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	29.9	Very low	29.4	Very low	250 Å²	250	162.8 Å²	162.8	100%	1.232	82%	0.824	S	S	*	*				0	113.6	0	-76.8	173.2	82.9	0	0	107.8
2	S	33.8	Very low	29.4	Very low	115 Å²	115	159.9 Å²	159.9	80%	0.804	81%	0.813	S	S	*	*			trans	-154.4	120.9	161	51.9	0	0	0	0	106.4	Y4	S2-Y4 PolarHBondContact O-N 2.95Å
3	E	31.1	Very low	29.4	Very low	190 Å²	190	159.5 Å²	159.5	89%	0.888	81%	0.805	S	S	*	*			trans	-59.3	126.1	-168.4	-65.9	155.9	171.9	0	0	111.4	S5	E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 2.97Å
4	Y	29.7	Very low	29.5	Very low	232 Å²	232	159.6 Å²	159.6	91%	0.91	80%	0.802	S	S	*	*			trans	-71.7	92.2	162.3	-98.2	-91.9	0	0	0	107.4	S2 I6	S2-Y4 PolarHBondContact O-N 2.95Å; Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 2.74Å
5	S	25.6	Very low	29.6	Very low	88 Å²	88	155.7 Å²	155.7	62%	0.615	79%	0.789	S	S	*	*			trans	-64.7	92.6	169.5	-178	0	0	0	0	108.7	E3 N7	E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 2.97Å; S5-N7 PolarHBondContact O-N 2.97Å
6	I	29.7	Very low	29.6	Very low	153 Å²	153	155.2 Å²	155.2	79%	0.785	79%	0.788	S	S	*	*			trans	-72.5	90.2	163.4	-61.7	171.9	0	0	0	104.8	Y4 S8	Y4-I6 VanDerWaalsContact C-N 3.33Å; Y4-I6 PolarHBondContact O-N 2.74Å; I6-S8 VanDerWaalsContact C-N 3.35Å; I6-S8 PolarHBondContact O-N 3.49Å
7	N	27.6	Very low	29.8	Very low	129 Å²	129	153.2 Å²	153.2	69%	0.69	78%	0.779	S	S	*	*			trans	-46.4	105.6	164.1	-74.7	-41.6	0	0	0	107.1	S5 R9	S5-N7 PolarHBondContact O-N 2.97Å; N7-R9 PolarHBondContact O-N 2.8Å
8	S	28.4	Very low	30.1	Very low	109 Å²	109	155.9 Å²	155.9	76%	0.762	78%	0.778	S	S	*	*			trans	-64	89.7	169.2	53.7	0	0	0	0	105.6	I6 K10	I6-S8 VanDerWaalsContact C-N 3.35Å; I6-S8 PolarHBondContact O-N 3.49Å; S8-K10 VanDerWaalsContact C-N 3.3Å; S8-K10 PolarHBondContact O-N 3.09Å
9	R	27.4	Very low	30.3	Very low	234 Å²	234	154.3 Å²	154.3	88%	0.883	77%	0.771	S	S	*	*			trans	-52.8	109.3	160.7	-77.3	-177.1	178.7	174.8	0.3	103.7	N7 C11	N7-R9 PolarHBondContact O-N 2.8Å; R9-C11 PolarHBondContact O-N 2.78Å
10	K	30.2	Very low	30.6	Very low	194 Å²	194	152.6 Å²	152.6	84%	0.843	76%	0.764	S	S	*	*			trans	-51.5	90.8	160.3	-85.9	175.5	174	173.7	0	105	S8 N12	S8-K10 VanDerWaalsContact C-N 3.3Å; S8-K10 PolarHBondContact O-N 3.09Å; K10-N12 PolarHBondContact O-N 2.9Å
11	C	29.5	Very low	30.7	Very low	97 Å²	97	150.2 Å²	150.2	66%	0.655	76%	0.757	S	S	*	*			trans	-65.5	100.9	162.1	-173	0	0	0	0	101.8	R9 Q13	R9-C11 PolarHBondContact O-N 2.78Å; C11-Q13 HydrophobicContact CB-CG 4.37Å; C11-Q13 PolarHBondContact O-N 2.91Å
12	N	29.6	Very low	31	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	72%	0.72	S	S	*	*			trans	-57	85.9	157.5	-80.1	-23.5	0	0	0	104.2	K10 H14	K10-N12 PolarHBondContact O-N 2.9Å; N12-H14 PolarHBondContact O-N 3.14Å
13	Q	29.6	Very low	30.7	Very low	154 Å²	154	142.6 Å²	142.6	72%	0.72	71%	0.713	S	S	*	*			trans	-66.2	80.2	166.7	-78.2	-179.7	-23.3	0	0	104	C11 V15	C11-Q13 HydrophobicContact CB-CG 4.37Å; C11-Q13 PolarHBondContact O-N 2.91Å; Q13-V15 HydrophobicContact CB-CG2 4.03Å; Q13-V15 PolarHBondContact O-N 2.88Å
14	H	30.4	Very low	30.8	Very low	162 Å²	162	139 Å²	139	75%	0.75	70%	0.704	S	S	*	*			trans	-57.6	87.3	142.2	-70.2	-82.7	0	0	0	103.5	N12 L16	N12-H14 PolarHBondContact O-N 3.14Å; H14-L16 PolarHBondContact O-N 2.85Å
15	V	31.5	Very low	31	Very low	101 Å²	101	132.8 Å²	132.8	61%	0.612	69%	0.69	S	S	*	*			trans	-61.6	94.8	168.3	178.6	0	0	0	0	103.1	Q13 L17	Q13-V15 HydrophobicContact CB-CG2 4.03Å; Q13-V15 PolarHBondContact O-N 2.88Å; V15-L17 PolarHBondContact O-N 2.84Å
16	L	29.3	Very low	31.6	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	69%	0.694	S	S	*	*			trans	-64.5	95.5	175.3	-150	96.2	0	0	0	104.1	H14 R18	H14-L16 PolarHBondContact O-N 2.85Å; L16-R18 PolarHBondContact O-N 2.95Å
17	L	32.7	Very low	31.8	Very low	121 Å²	121	130.2 Å²	130.2	63%	0.634	69%	0.686	S	S	*	*			trans	-68.9	84.7	179.4	-170.7	73.1	0	0	0	106.7	V15 L19 N48	V15-L17 PolarHBondContact O-N 2.84Å; L17-L19 PolarHBondContact O-N 2.79Å; L17-L19 VanDerWaalsContact O-N 3.11Å; L17-N48 VanDerWaalsContact CD1-OD1 3.23Å; L17-N48 WeakPolarHBondContact CD1-OD1 3.22Å
18	R	35.7	Very low	32.3	Very low	203 Å²	203	133 Å²	133	77%	0.766	69%	0.692	S	S	*	*			trans	-80.8	94.7	177.4	-148.2	177.7	-176.3	-165.9	0.3	106	L16 I20	L16-R18 PolarHBondContact O-N 2.95Å; R18-I20 VanDerWaalsContact C-N 3.29Å; R18-I20 PolarHBondContact O-N 2.84Å
19	L	33.4	Very low	32.6	Very low	125 Å²	125	135.4 Å²	135.4	65%	0.654	69%	0.691	S	S	*	*			trans	-64.3	92.5	173.4	-168.4	75	0	0	0	108	L17 T21	L17-L19 PolarHBondContact O-N 2.79Å; L17-L19 VanDerWaalsContact O-N 3.11Å; L19-T21 PolarHBondContact O-N 3.49Å
20	I	37.1	Very low	33.1	Very low	120 Å²	120	129.6 Å²	129.6	62%	0.615	68%	0.681	S	S	*	*			trans	-86.3	96.2	172.3	-59.2	173.8	0	0	0	106.2	R18 S22	R18-I20 VanDerWaalsContact C-N 3.29Å; R18-I20 PolarHBondContact O-N 2.84Å; I20-S22 PolarHBondContact O-N 2.82Å; I20-S22 VanDerWaalsContact O-N 3.16Å
21	T	33.2	Very low	33.4	Very low	103 Å²	103	127.8 Å²	127.8	63%	0.632	68%	0.681	S	S	*	*			trans	-78.5	95.3	173.2	-47.6	0	0	0	0	108.5	L19 Q23	L19-T21 PolarHBondContact O-N 3.49Å; T21-Q23 PolarHBondContact O-N 2.95Å
22	S	34.8	Very low	33.6	Very low	63 Å²	63	127.1 Å²	127.1	44%	0.441	68%	0.678	S	S	.	*			trans	-86.6	102.1	167	54.6	0	0	0	0	109.2	I20 T24	I20-S22 PolarHBondContact O-N 2.82Å; I20-S22 VanDerWaalsContact O-N 3.16Å; S22-T24 PolarHBondContact O-N 2.78Å
23	Q	29.1	Very low	34	Very low	142 Å²	142	130.1 Å²	130.1	66%	0.664	69%	0.69	S	S	*	*			trans	-78.8	113.7	173.1	-168.2	-177.9	38.2	0	0	108.8	T21 V25	T21-Q23 PolarHBondContact O-N 2.95Å; Q23-V25 HydrophobicContact CG-CG2 3.77Å
24	T	33	Very low	34.1	Very low	115 Å²	115	127.2 Å²	127.2	71%	0.706	68%	0.679	S	S	*	*			trans	-103.2	100.5	166.6	-43	0	0	0	0	107.3	S22 S26	S22-T24 PolarHBondContact O-N 2.78Å; T24-S26 PolarHBondContact O-N 2.81Å
25	V	33.3	Very low	34.4	Very low	101 Å²	101	127 Å²	127	61%	0.612	68%	0.684	S	S	*	*			trans	-81	96.9	174.5	-174.1	0	0	0	0	107.3	Q23	Q23-V25 HydrophobicContact CG-CG2 3.77Å
26	S	37.1	Very low	34.8	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	68%	0.683	S	S	*	*			trans	-102	85.1	168.5	164.5	0	0	0	0	108.4	T24 K28	T24-S26 PolarHBondContact O-N 2.81Å; S26-K28 PolarHBondContact O-N 2.84Å
27	S	35.7	Very low	35	Very low	86 Å²	86	127.6 Å²	127.6	60%	0.601	68%	0.684	S	S	*	*			trans	-79.3	112	166.4	49.4	0	0	0	0	109	E29	S27-E29 VanDerWaalsContact C-N 3.27Å; S27-E29 PolarHBondContact O-N 2.82Å; S27-E29 VanDerWaalsContact O-N 3.1Å
28	K	36.8	Very low	35.2	Very low	188 Å²	188	126 Å²	126	82%	0.817	68%	0.683	S	S	*	*			trans	-74.2	92.6	155.2	-84	-175.7	177.5	178.8	0	106.3	S26 T30	S26-K28 PolarHBondContact O-N 2.84Å; K28-T30 PolarHBondContact O-N 2.77Å
29	E	34.8	Very low	35.3	Very low	158 Å²	158	121.2 Å²	121.2	74%	0.738	67%	0.671	S	S	*	*			trans	-68.2	78.8	162.5	-73.3	-175.8	166.4	0	0	107.9	S27 N31	S27-E29 VanDerWaalsContact C-N 3.27Å; S27-E29 PolarHBondContact O-N 2.82Å; S27-E29 VanDerWaalsContact O-N 3.1Å; E29-N31 PolarHBondContact O-N 2.92Å
30	T	38.3	Very low	35.6	Very low	112 Å²	112	119.3 Å²	119.3	69%	0.687	66%	0.661	S	S	*	*			trans	-73	107	153.9	45.5	0	0	0	0	105.4	K28 S32	K28-T30 PolarHBondContact O-N 2.77Å; T30-S32 PolarHBondContact O-N 2.9Å
31	N	36.5	Very low	35.5	Very low	156 Å²	156	118.6 Å²	118.6	83%	0.834	66%	0.658	S	S	*	*			trans	-60.7	46.8	173.9	-73.2	-33.9	0	0	0	113	E29 M33	E29-N31 PolarHBondContact O-N 2.92Å; N31-M33 PolarHBondContact O-N 3.24Å
32	S	34.5	Very low	35.8	Very low	84 Å²	84	117.8 Å²	117.8	59%	0.587	65%	0.645	S	S	*	*			trans	-88.2	107.2	173.2	-172.2	0	0	0	0	107.1	T30 N34	T30-S32 PolarHBondContact O-N 2.9Å; S32-N34 PolarHBondContact O-N 3.23Å
33	M	36.3	Very low	35.9	Very low	190 Å²	190	118.2 Å²	118.2	94%	0.936	64%	0.644	S	S	*	*			trans	-62.4	50.7	168.1	-166.9	96.1	172.3	0	0	111.1	N31	N31-M33 PolarHBondContact O-N 3.24Å
34	N	31.9	Very low	36.5	Very low	94 Å²	94	114.5 Å²	114.5	50%	0.503	63%	0.628	S	S	.	*			trans	-126.6	115.7	178.8	-165.1	-1.9	0	0	0	108.9	S32 N36	S32-N34 PolarHBondContact O-N 3.23Å; N34-N36 VanDerWaalsContact CG-ND2 3.32Å; N34-N36 PolarHBondContact ND2-ND2 3.35Å; N34-N36 VanDerWaalsContact ND2-ND2 3.19Å; N34-N36 PolarHBondContact O-N 3.02Å; N34-N36 PolarHBondContact OD1-ND2 2.91Å; N34-N36 PolarHBondContact OD1-OD1 3.34Å
35	N	37.3	Very low	36.9	Very low	158 Å²	158	111.5 Å²	111.5	85%	0.845	61%	0.61	S	S	*	*			trans	-73.3	34.7	-169.8	-54.9	-20.1	0	0	0	112.6
36	N	39.2	Very low	37.3	Very low	112 Å²	112	108.9 Å²	108.9	60%	0.599	59%	0.594	S	S	*	*	S	Bend	trans	-116.3	107.8	-169.2	-63.7	-12.7	0	0	0	108.8	N34 S38	N34-N36 VanDerWaalsContact CG-ND2 3.32Å; N34-N36 PolarHBondContact ND2-ND2 3.35Å; N34-N36 VanDerWaalsContact ND2-ND2 3.19Å; N34-N36 PolarHBondContact O-N 3.02Å; N34-N36 PolarHBondContact OD1-ND2 2.91Å; N34-N36 PolarHBondContact OD1-OD1 3.34Å; N36-S38 PolarHBondContact O-N 2.65Å
37	N	35.1	Very low	37.4	Very low	147 Å²	147	109.2 Å²	109.2	79%	0.786	59%	0.592	S	S	*	*			trans	41.2	74.2	161.5	-78.4	-12.3	0	0	0	115.1	I39	N37-I39 VanDerWaalsContact C-N 3.29Å; N37-I39 PolarHBondContact O-N 3.12Å
38	S	36.1	Very low	37.5	Very low	87 Å²	87	108.6 Å²	108.6	61%	0.608	58%	0.582	S	S	*	*			trans	-67.7	95	161.4	-175.1	0	0	0	0	108.2	N36 I40	N36-S38 PolarHBondContact O-N 2.65Å; S38-I40 PolarHBondContact O-N 3.24Å; S38-I40 VanDerWaalsContact O-N 3.1Å
39	I	37.7	Very low	38.1	Very low	103 Å²	103	106.3 Å²	106.3	53%	0.528	58%	0.584	S	S	.	*			trans	-73.4	99.6	170.8	-59.8	175	0	0	0	106.2	N37 N41	N37-I39 VanDerWaalsContact C-N 3.29Å; N37-I39 PolarHBondContact O-N 3.12Å; I39-N41 WeakPolarHBondContact CG2-OD1 3.47Å; I39-N41 PolarHBondContact O-N 3.16Å; I39-N41 VanDerWaalsContact O-N 3.12Å
40	I	39.6	Very low	38.1	Very low	86 Å²	86	104.6 Å²	104.6	44%	0.441	59%	0.588	S	S	.	*			trans	-76.9	99.7	170.9	-51.5	175.5	0	0	0	107.2	S38 Y42	S38-I40 PolarHBondContact O-N 3.24Å; S38-I40 VanDerWaalsContact O-N 3.1Å; I40-Y42 HydrophobicContact CB-CD2 4.45Å; I40-Y42 HydrophobicContact CB-CE2 3.81Å; I40-Y42 HydrophobicContact CG2-CD2 3.97Å; I40-Y42 HydrophobicContact CG2-CE1 4.07Å; I40-Y42 HydrophobicContact CG2-CE2 3.34Å; I40-Y42 WeakPolarHBondContact O-CD2 3.23Å; I40-Y42 PolarHBondContact O-N 3.15Å
41	N	36.3	Very low	37.9	Very low	104 Å²	104	103.8 Å²	103.8	56%	0.556	58%	0.583	S	S	*	*			trans	-76.4	109.6	173.9	-70	-48.1	0	0	0	109.1	I39	I39-N41 WeakPolarHBondContact CG2-OD1 3.47Å; I39-N41 PolarHBondContact O-N 3.16Å; I39-N41 VanDerWaalsContact O-N 3.12Å
42	Y	38.2	Very low	38	Very low	87 Å²	87	101.2 Å²	101.2	34%	0.341	57%	0.573	S	S	.	*			trans	-91.4	130.8	167.3	-64.9	-85.6	0	0	0	109.4	I40 N56	I40-Y42 HydrophobicContact CB-CD2 4.45Å; I40-Y42 HydrophobicContact CB-CE2 3.81Å; I40-Y42 HydrophobicContact CG2-CD2 3.97Å; I40-Y42 HydrophobicContact CG2-CE1 4.07Å; I40-Y42 HydrophobicContact CG2-CE2 3.34Å; I40-Y42 WeakPolarHBondContact O-CD2 3.23Å; I40-Y42 PolarHBondContact O-N 3.15Å; Y42-N56 PolarHBondContact O-OD1 3.38Å
43	T	38	Very low	38.3	Very low	71 Å²	71	99.8 Å²	99.8	44%	0.436	57%	0.566	S	S	.	*			trans	-104.6	104.8	168.6	-63.5	0	0	0	0	107.8	V45 T54	T43-V45 HydrophobicContact CG2-CG2 4.01Å; T43-T54 HydrophobicContact CG2-CG2 3.7Å
44	I	41.3	Very low	38.5	Very low	64 Å²	64	94.7 Å²	94.7	33%	0.328	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.7	169.3	-56.9	174.7	0	0	0	106.7	V46 I57	I44-V46 HydrophobicContact CG2-CG2 3.99Å; I44-I57 HydrophobicContact CD1-CD1 4.01Å
45	V	40.6	Very low	39	Very low	52 Å²	52	94.6 Å²	94.6	32%	0.315	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.6	172.7	178.8	0	0	0	0	107.3	T43 T52	T43-V45 HydrophobicContact CG2-CG2 4.01Å; V45-T52 HydrophobicContact CG1-CG2 3.9Å
46	V	42.8	Very low	39	Very low	47 Å²	47	91.7 Å²	91.7	29%	0.285	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	109.4	169.9	-175.3	0	0	0	0	107.6	I44 N48	I44-V46 HydrophobicContact CG2-CG2 3.99Å; V46-N48 PolarHBondContact O-N 2.67Å
47	T	38	Very low	38.9	Very low	107 Å²	107	90.3 Å²	90.3	66%	0.656	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	89.5	173.8	-29.1	0	0	0	0	108.8
48	N	38	Very low	38.9	Very low	73 Å²	73	87.2 Å²	87.2	39%	0.39	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	155.1	157.2	-84.8	-11.6	0	0	0	108.2	L17 V46 C50 T51	L17-N48 VanDerWaalsContact CD1-OD1 3.23Å; L17-N48 WeakPolarHBondContact CD1-OD1 3.22Å; V46-N48 PolarHBondContact O-N 2.67Å; N48-C50 PolarHBondContact O-N 2.7Å; N48-T51 PolarHBondContact N-O 3.48Å; N48-T51 PolarHBondContact O-N 2.98Å; N48-T51 VanDerWaalsContact O-N 3.15Å
49	V	49.7	Very low	39	Very low	141 Å²	141	88.7 Å²	88.7	86%	0.855	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-15.4	-175.4	179.1	0	0	0	0	113.8
50	C	34.6	Very low	39	Very low	122 Å²	122	89.4 Å²	89.4	82%	0.824	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	8.3	173	-77.6	0	0	0	0	116.9	N48	N48-C50 PolarHBondContact O-N 2.7Å
51	T	34.2	Very low	39.2	Very low	95 Å²	95	90 Å²	90	58%	0.583	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.5	130.8	-175.8	21.6	0	0	0	0	112.8	N48	N48-T51 PolarHBondContact N-O 3.48Å; N48-T51 PolarHBondContact O-N 2.98Å; N48-T51 VanDerWaalsContact O-N 3.15Å
52	T	38.4	Very low	39.3	Very low	102 Å²	102	89.5 Å²	89.5	63%	0.626	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.4	168.9	-55.8	0	0	0	0	108.5	V45	V45-T52 HydrophobicContact CG1-CG2 3.9Å
53	A	40.2	Very low	39.4	Very low	53 Å²	53	91.4 Å²	91.4	44%	0.438	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	131.5	171	0	0	0	0	0	109.4
54	T	41.9	Very low	39.4	Very low	83 Å²	83	93 Å²	93	51%	0.509	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	118.2	173	-63.3	0	0	0	0	108.6	T43	T43-T54 HydrophobicContact CG2-CG2 3.7Å
55	I	42.5	Very low	39.5	Very low	93 Å²	93	97.1 Å²	97.1	48%	0.477	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	116.1	174.3	-56.5	173.2	0	0	0	108	I57	I55-I57 HydrophobicContact CG2-CD1 4.49Å; I55-I57 HydrophobicContact CG2-CG1 3.83Å
56	N	36.9	Very low	39.4	Very low	97 Å²	97	100.6 Å²	100.6	52%	0.519	62%	0.616	S	S	.	*			trans	-89.5	112.3	171.2	-66.3	-21.7	0	0	0	108.4	Y42	Y42-N56 PolarHBondContact O-OD1 3.38Å
57	I	36.9	Very low	39.4	Very low	82 Å²	82	102.8 Å²	102.8	42%	0.421	63%	0.634	S	S	.	*			trans	-102.5	119.6	176.2	-48.4	174	0	0	0	108.1	I44 I55	I44-I57 HydrophobicContact CD1-CD1 4.01Å; I55-I57 HydrophobicContact CG2-CD1 4.49Å; I55-I57 HydrophobicContact CG2-CG1 3.83Å
58	S	35.3	Very low	39.5	Very low	82 Å²	82	104.5 Å²	104.5	57%	0.573	64%	0.639	S	S	*	*			trans	-94.9	110.4	173.2	-49.4	0	0	0	0	108.8	P60	S58-P60 WeakPolarHBondContact O-CD 3.34Å
59	I	37.5	Very low	39.8	Very low	118 Å²	118	109 Å²	109	61%	0.605	66%	0.661	S	S	*	*			trans	-88.4	118.2	171.2	-55.3	175	0	0	0	107.3	T61	I59-T61 PolarHBondContact O-N 3.25Å; I59-T61 VanDerWaalsContact O-N 3.09Å
60	P	38	Very low	39.6	Very low	118 Å²	118	107.6 Å²	107.6	77%	0.766	65%	0.653	S	S	*	*			trans	-62.5	115.7	168.9	24.9	-29.8	0	0	0	107.8	S58 A62	S58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-A62 PolarHBondContact O-N 2.97Å
61	T	43.8	Very low	40.1	Very low	100 Å²	100	106.9 Å²	106.9	61%	0.613	65%	0.646	S	S	*	*			trans	-59.4	129	174.5	-59.6	0	0	0	0	107.6	I59 T63	I59-T61 PolarHBondContact O-N 3.25Å; I59-T61 VanDerWaalsContact O-N 3.09Å; T61-T63 PolarHBondContact O-N 3.42Å
62	A	39.3	Very low	40.8	Very low	93 Å²	93	109.7 Å²	109.7	77%	0.769	66%	0.657	S	S	*	*			trans	-47.9	107.3	179.8	0	0	0	0	0	108.9	P60 S64	P60-A62 PolarHBondContact O-N 2.97Å; A62-S64 PolarHBondContact O-N 2.65Å
63	T	38.9	Very low	41.3	Very low	127 Å²	127	110 Å²	110	78%	0.779	66%	0.661	S	S	*	*			trans	-57.2	117.1	171.9	2.4	0	0	0	0	105.3	T61 I65	T61-T63 PolarHBondContact O-N 3.42Å; T63-I65 PolarHBondContact O-N 3.21Å
64	S	38.3	Very low	41.7	Very low	104 Å²	104	119.1 Å²	119.1	73%	0.727	68%	0.684	S	S	*	*			trans	-54.1	88.8	171.4	171.3	0	0	0	0	108	A62 V66	A62-S64 PolarHBondContact O-N 2.65Å; S64-V66 PolarHBondContact O-N 3.47Å; S64-V66 WeakPolarHBondContact OG-CG2 3.33Å
65	I	44.3	Very low	42	Very low	151 Å²	151	121.8 Å²	121.8	77%	0.774	70%	0.7	S	S	*	*			trans	-70.3	79.4	167.6	37.1	170.5	0	0	0	106.6	T63 S67	T63-I65 PolarHBondContact O-N 3.21Å; I65-S67 PolarHBondContact O-N 3.43Å
66	V	38.8	Very low	42.2	Very low	124 Å²	124	126.6 Å²	126.6	75%	0.752	72%	0.717	S	S	*	*			trans	-74.6	72.7	153.5	-177.4	0	0	0	0	105.5	S64	S64-V66 PolarHBondContact O-N 3.47Å; S64-V66 WeakPolarHBondContact OG-CG2 3.33Å
67	S	42.5	Very low	42.6	Very low	93 Å²	93	130 Å²	130	65%	0.65	73%	0.73	S	S	*	*	S	Bend	trans	-162.6	112	168.5	-73.5	0	0	0	0	107.4	I65	I65-S67 PolarHBondContact O-N 3.43Å
68	D	40.2	Very low	43.4	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	75%	0.747	S	S	*	*			trans	60.6	100.1	167.9	-56.8	-23	0	0	0	115.9	V70	D68-V70 HydrophobicContact CB-CG2 4.24Å; D68-V70 PolarHBondContact O-N 3.44Å
69	I	43	Very low	44.1	Very low	168 Å²	168	134 Å²	134	86%	0.862	76%	0.757	S	S	*	*			trans	-58.8	82.1	151.3	-56.1	165.9	0	0	0	105.5	P71	I69-P71 WeakPolarHBondContact O-CD 3.42Å; I69-P71 VanDerWaalsContact O-N 3.11Å
70	V	45.8	Very low	44.6	Very low	112 Å²	112	135.1 Å²	135.1	68%	0.679	76%	0.763	S	S	*	*			trans	-65.1	109.6	164.8	177.8	0	0	0	0	103.9	D68 L72	D68-V70 HydrophobicContact CB-CG2 4.24Å; D68-V70 PolarHBondContact O-N 3.44Å; V70-L72 PolarHBondContact O-N 3.1Å
71	P	46.5	Very low	45.5	Very low	106 Å²	106	135.6 Å²	135.6	69%	0.688	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-59.8	122	-178.5	-18	31.8	0	0	0	107.1	I69 P73	I69-P71 WeakPolarHBondContact O-CD 3.42Å; I69-P71 VanDerWaalsContact O-N 3.11Å; P71-P73 VanDerWaalsContact O-N 3.11Å
72	L	47.9	Very low	45.7	Very low	154 Å²	154	137.2 Å²	137.2	81%	0.806	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-51	123.3	172.4	-119.5	68.4	0	0	0	107	V70 R74	V70-L72 PolarHBondContact O-N 3.1Å; L72-R74 PolarHBondContact O-N 2.84Å
73	P	50	Low	46.3	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-55	119.8	175.2	20.2	-29.1	0	0	0	106.5	P71 V75	P71-P73 VanDerWaalsContact O-N 3.11Å; P73-V75 VanDerWaalsContact C-N 3.29Å; P73-V75 PolarHBondContact O-N 3.13Å
74	R	47.6	Very low	47.1	Very low	245 Å²	245	141.3 Å²	141.3	93%	0.925	76%	0.756	S	S	*	*			trans	-53.6	103.1	172.8	-84.2	-178.5	172.9	176.1	-2.5	106	L72 K76	L72-R74 PolarHBondContact O-N 2.84Å; R74-K76 VanDerWaalsContact C-N 3.33Å; R74-K76 PolarHBondContact O-N 3.47Å
75	V	49.3	Very low	47.7	Very low	140 Å²	140	142.5 Å²	142.5	85%	0.848	76%	0.759	S	S	*	*			trans	-62.4	104.9	173.6	-129.2	0	0	0	0	104.1	P73 H77	P73-V75 VanDerWaalsContact C-N 3.29Å; P73-V75 PolarHBondContact O-N 3.13Å; V75-H77 PolarHBondContact O-N 2.74Å
76	K	44.9	Very low	48.1	Very low	193 Å²	193	142.1 Å²	142.1	84%	0.839	75%	0.754	S	S	*	*			trans	-52.6	136.5	167.6	-72.3	-178.3	178.6	-178.4	0	105.9	R74	R74-K76 VanDerWaalsContact C-N 3.33Å; R74-K76 PolarHBondContact O-N 3.47Å
77	H	47.1	Very low	48.6	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.787	75%	0.748	S	S	*	*	S	Bend	trans	-18.6	141.5	-175.2	-67	-84.7	0	0	0	116.3	V75 T79	V75-H77 PolarHBondContact O-N 2.74Å; H77-T79 PolarHBondContact O-N 2.69Å
78	P	52.3	Low	49.2	Very low	121 Å²	121	146 Å²	146	79%	0.786	76%	0.757	S	S	*	*			trans	-47.3	115	-178.9	20.8	-32.8	0	0	0	109.7	I80	P78-I80 PolarHBondContact O-N 2.84Å; P78-I80 VanDerWaalsContact O-N 3.08Å
79	T	49.8	Very low	49.9	Very low	126 Å²	126	144.4 Å²	144.4	77%	0.773	75%	0.753	S	S	*	*			trans	-50.7	120.1	169.6	-53.8	0	0	0	0	106.5	H77 I81	H77-T79 PolarHBondContact O-N 2.69Å; T79-I81 PolarHBondContact O-N 2.79Å
80	I	48.9	Very low	50.2	Low	142 Å²	142	146.4 Å²	146.4	73%	0.728	75%	0.75	S	S	*	*			trans	-48.6	118.3	174.1	-66	166.3	0	0	0	106.4	P78 D82	P78-I80 PolarHBondContact O-N 2.84Å; P78-I80 VanDerWaalsContact O-N 3.08Å; I80-D82 VanDerWaalsContact C-N 3.34Å; I80-D82 PolarHBondContact O-N 2.73Å
81	I	57.4	Low	50.3	Low	127 Å²	127	148.7 Å²	148.7	65%	0.651	76%	0.757	S	S	*	*			trans	-73.2	97.6	177	-59.6	173.2	0	0	0	105.1	T79 Y83	T79-I81 PolarHBondContact O-N 2.79Å; I81-Y83 WeakPolarHBondContact O-CD2 3.08Å; I81-Y83 PolarHBondContact O-N 2.8Å; I81-Y83 VanDerWaalsContact O-N 3.07Å
82	D	46.9	Very low	50.5	Low	134 Å²	134	154 Å²	154	72%	0.717	77%	0.765	S	S	*	*			trans	-64.4	108.4	167.2	-80.3	-23.4	0	0	0	107.2	I80 V84	I80-D82 VanDerWaalsContact C-N 3.34Å; I80-D82 PolarHBondContact O-N 2.73Å; D82-V84 PolarHBondContact O-N 3.06Å
83	Y	52.9	Low	50.7	Low	205 Å²	205	153.2 Å²	153.2	80%	0.804	76%	0.762	S	S	*	*			trans	-65.7	89.3	170.2	-65	-86.9	0	0	0	107.9	I81 T85	I81-Y83 WeakPolarHBondContact O-CD2 3.08Å; I81-Y83 PolarHBondContact O-N 2.8Å; I81-Y83 VanDerWaalsContact O-N 3.07Å; Y83-T85 VanDerWaalsContact C-N 3.29Å; Y83-T85 PolarHBondContact O-N 3.05Å
84	V	54.8	Low	50.9	Low	101 Å²	101	156.1 Å²	156.1	61%	0.612	76%	0.763	S	S	*	*			trans	-71.1	96.3	164.4	-179.6	0	0	0	0	105.8	D82 H86	D82-V84 PolarHBondContact O-N 3.06Å; V84-H86 VanDerWaalsContact C-N 3.31Å; V84-H86 PolarHBondContact O-N 2.96Å
85	T	49.8	Very low	51.2	Low	130 Å²	130	153.2 Å²	153.2	80%	0.798	76%	0.757	S	S	*	*			trans	-59.2	99.3	167.5	-51.2	0	0	0	0	106.9	Y83 D87	Y83-T85 VanDerWaalsContact C-N 3.29Å; Y83-T85 PolarHBondContact O-N 3.05Å; T85-D87 PolarHBondContact O-N 2.71Å; T85-D87 VanDerWaalsContact O-N 3.1Å
86	H	54.5	Low	51.3	Low	142 Å²	142	152.9 Å²	152.9	66%	0.657	75%	0.751	S	S	*	*			trans	-66.6	111.7	172.1	-66	-53.7	0	0	0	107	V84 E88	V84-H86 VanDerWaalsContact C-N 3.31Å; V84-H86 PolarHBondContact O-N 2.96Å; H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 2.96Å
87	D	48.5	Very low	51.3	Low	119 Å²	119	150.6 Å²	150.6	64%	0.636	75%	0.748	S	S	*	*			trans	-60.4	100.1	164.5	-168.6	-19.2	0	0	0	106.7	T85 T89	T85-D87 PolarHBondContact O-N 2.71Å; T85-D87 VanDerWaalsContact O-N 3.1Å; D87-T89 PolarHBondContact O-N 3.37Å; D87-T89 WeakPolarHBondContact OD1-CB 3.44Å; D87-T89 VanDerWaalsContact OD1-CG2 3.26Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.48Å; D87-T89 PolarHBondContact OD1-N 2.89Å; D87-T89 PolarHBondContact OD1-OG1 2.76Å
88	E	55.6	Low	51	Low	180 Å²	180	152.7 Å²	152.7	84%	0.841	75%	0.749	S	S	*	*			trans	-70.4	12.2	-175	-69	-163	155.5	0	0	113	H86 R90	H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 2.96Å; E88-R90 PolarHBondContact O-N 3.16Å
89	T	53.7	Low	50.6	Low	110 Å²	110	153.5 Å²	153.5	68%	0.675	75%	0.746	S	S	*	*			trans	-72.9	23.6	174.6	55.6	0	0	0	0	113.9	D87 L91	D87-T89 PolarHBondContact O-N 3.37Å; D87-T89 WeakPolarHBondContact OD1-CB 3.44Å; D87-T89 VanDerWaalsContact OD1-CG2 3.26Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.48Å; D87-T89 PolarHBondContact OD1-N 2.89Å; D87-T89 PolarHBondContact OD1-OG1 2.76Å; T89-L91 PolarHBondContact O-N 2.87Å
90	R	51	Low	50.1	Low	209 Å²	209	152 Å²	152	79%	0.789	74%	0.737	S	S	*	*			trans	-64	90.8	167.5	-73.2	-171	176.3	-176.8	0.5	108.9	E88 Y92	E88-R90 PolarHBondContact O-N 3.16Å; R90-Y92 WeakPolarHBondContact O-CD2 3.23Å; R90-Y92 PolarHBondContact O-N 3.33Å
91	L	46.3	Very low	49.8	Very low	161 Å²	161	151.9 Å²	151.9	84%	0.843	74%	0.737	S	S	*	*			trans	-48.8	99.6	169.1	-168.7	72.8	0	0	0	107.8	T89 D93	T89-L91 PolarHBondContact O-N 2.87Å; L91-D93 PolarHBondContact O-N 3.11Å
92	Y	50.5	Low	49	Very low	217 Å²	217	152 Å²	152	85%	0.851	74%	0.739	S	S	*	*			trans	-64	103.1	172.5	-79	-87.9	0	0	0	107	R90 K94	R90-Y92 WeakPolarHBondContact O-CD2 3.23Å; R90-Y92 PolarHBondContact O-N 3.33Å; Y92-K94 VanDerWaalsContact C-N 3.27Å; Y92-K94 PolarHBondContact O-N 3.31Å
93	D	52.8	Low	48.7	Very low	137 Å²	137	154.1 Å²	154.1	73%	0.733	74%	0.741	S	S	*	*			trans	-65.1	96.7	171.7	-149.1	8.3	0	0	0	106.2	L91 K95	L91-D93 PolarHBondContact O-N 3.11Å; D93-K95 PolarHBondContact O-N 3.12Å
94	K	54.5	Low	48.2	Very low	169 Å²	169	151.8 Å²	151.8	74%	0.735	74%	0.741	S	S	*	*			trans	-65.6	83.8	-176	-174.8	178.5	-179.1	176.9	0	107.3	Y92 N96	Y92-K94 VanDerWaalsContact C-N 3.27Å; Y92-K94 PolarHBondContact O-N 3.31Å; K94-N96 VanDerWaalsContact C-N 3.25Å; K94-N96 PolarHBondContact O-N 3.11Å
95	K	54.6	Low	47.4	Very low	184 Å²	184	153.9 Å²	153.9	80%	0.8	76%	0.755	S	S	*	*			trans	-62.4	97.1	168	-72	-174.3	179.8	178.9	0	105.9	D93 N97	D93-K95 PolarHBondContact O-N 3.12Å; K95-N97 PolarHBondContact O-N 2.75Å
96	N	50.6	Low	46.9	Very low	134 Å²	134	150.3 Å²	150.3	72%	0.717	74%	0.744	S	S	*	*			trans	-55.7	96.5	167.9	-71.5	-36.2	0	0	0	106	K94 R98	K94-N96 VanDerWaalsContact C-N 3.25Å; K94-N96 PolarHBondContact O-N 3.11Å; N96-R98 PolarHBondContact O-N 3.39Å
97	N	44.9	Very low	45.9	Very low	144 Å²	144	153 Å²	153	77%	0.77	76%	0.756	S	S	*	*			trans	-68.1	93.8	177.4	-156.7	2	0	0	0	104.8	K95 L99	K95-N97 PolarHBondContact O-N 2.75Å; N97-L99 PolarHBondContact O-N 3.1Å
98	R	39.9	Very low	45.1	Very low	215 Å²	215	157.5 Å²	157.5	81%	0.811	76%	0.764	S	S	*	*			trans	-70.2	81.7	177.9	-153.4	178	91.4	174	7.3	105.1	N96 T100	N96-R98 PolarHBondContact O-N 3.39Å; R98-T100 PolarHBondContact O-N 2.84Å; R98-T100 PolarHBondContact O-OG1 2.9Å
99	L	44.2	Very low	44.3	Very low	137 Å²	137	154.3 Å²	154.3	72%	0.717	76%	0.762	S	S	*	*			trans	-61.6	96.7	174.1	-145.1	92.7	0	0	0	105	N97 L101	N97-L99 PolarHBondContact O-N 3.1Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.88Å
100	T	40.2	Very low	43.5	Very low	96 Å²	96	159.5 Å²	159.5	59%	0.589	77%	0.771	S	S	*	*			trans	-66.7	102.1	175	-43.1	0	0	0	0	104.2	R98 N102	R98-T100 PolarHBondContact O-N 2.84Å; R98-T100 PolarHBondContact O-OG1 2.9Å; T100-N102 PolarHBondContact O-N 3.41Å
101	L	42.1	Very low	42.8	Very low	139 Å²	139	154 Å²	154	73%	0.728	77%	0.765	S	S	*	*			trans	-64.8	85.9	176.5	-163	83.2	0	0	0	106.3	L99 K103	L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.88Å; L101-K103 VanDerWaalsContact C-N 3.25Å; L101-K103 PolarHBondContact O-N 3.09Å
102	N	41.7	Very low	42.7	Very low	130 Å²	130	152.6 Å²	152.6	70%	0.695	76%	0.762	S	S	*	*			trans	-62.7	97.9	170.1	-73	-13.3	0	0	0	105.2	T100 I104	T100-N102 PolarHBondContact O-N 3.41Å; N102-I104 VanDerWaalsContact C-N 3.29Å; N102-I104 PolarHBondContact O-N 2.89Å
103	K	38.8	Very low	42.1	Very low	177 Å²	177	148.3 Å²	148.3	77%	0.77	75%	0.754	S	S	*	*			trans	-57.2	99.5	168.8	-73	-179.5	177	-179.5	0	105.9	L101 T105	L101-K103 VanDerWaalsContact C-N 3.25Å; L101-K103 PolarHBondContact O-N 3.09Å; K103-T105 PolarHBondContact O-N 3.39Å; K103-T105 PolarHBondContact O-OG1 2.99Å
104	I	42.8	Very low	41.5	Very low	156 Å²	156	146.4 Å²	146.4	80%	0.8	75%	0.752	S	S	*	*			trans	-71.8	90.5	168.2	-56.5	173.4	0	0	0	104.6	N102 G106	N102-I104 VanDerWaalsContact C-N 3.29Å; N102-I104 PolarHBondContact O-N 2.89Å; I104-G106 PolarHBondContact O-N 3.19Å
105	T	39	Very low	40.9	Very low	146 Å²	146	144.5 Å²	144.5	90%	0.896	75%	0.75	S	S	*	*			trans	-67.2	78.8	171.7	-23.7	0	0	0	0	107.1	K103	K103-T105 PolarHBondContact O-N 3.39Å; K103-T105 PolarHBondContact O-OG1 2.99Å
106	G	39.2	Very low	40.1	Very low	55 Å²	55	141.6 Å²	141.6	57%	0.567	75%	0.751	S	S	*	*			trans	-167.3	36.1	-171	0	0	0	0	0	112	I104 R108	I104-G106 PolarHBondContact O-N 3.19Å; G106-R108 PolarHBondContact O-N 3.3Å
107	Q	32.3	Very low	39.3	Very low	197 Å²	197	142.2 Å²	142.2	92%	0.921	75%	0.754	S	S	*	*			trans	-68.2	88.5	161.3	-87.9	-176.7	-1.3	0	0	107.6
108	R	33.7	Very low	38.8	Very low	214 Å²	214	139.9 Å²	139.9	81%	0.808	76%	0.755	S	S	*	*			trans	-81.8	111.5	161.5	-165.6	174.7	-171.3	-177.5	1.5	106	G106 Y110	G106-R108 PolarHBondContact O-N 3.3Å; R108-Y110 PolarHBondContact O-N 2.86Å; R108-Y110 VanDerWaalsContact O-N 3.12Å
109	S	37.9	Very low	38.6	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	76%	0.758	S	S	*	*			trans	-52.8	118.8	174.1	-54.7	0	0	0	0	109	S111	S109-S111 PolarHBondContact O-N 2.71Å; S109-S111 VanDerWaalsContact O-N 3.15Å
110	Y	36.6	Very low	38	Very low	219 Å²	219	137.8 Å²	137.8	86%	0.859	76%	0.76	S	S	*	*			trans	-69.9	108.3	172.5	-50.8	-83.1	0	0	0	107.3	R108 V112	R108-Y110 PolarHBondContact O-N 2.86Å; R108-Y110 VanDerWaalsContact O-N 3.12Å; Y110-V112 PolarHBondContact O-N 3.07Å
111	S	36.9	Very low	37.7	Very low	95 Å²	95	141.8 Å²	141.8	66%	0.664	77%	0.769	S	S	*	*			trans	-74.2	113.1	160.5	-175.3	0	0	0	0	106.4	S109 D113	S109-S111 PolarHBondContact O-N 2.71Å; S109-S111 VanDerWaalsContact O-N 3.15Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.03Å; S111-D113 PolarHBondContact OG-OD1 3Å
112	V	43.7	Very low	37.3	Very low	130 Å²	130	141.3 Å²	141.3	79%	0.788	77%	0.767	S	S	*	*			trans	-81.2	91	164.7	-177.2	0	0	0	0	105.1	Y110 S114	Y110-V112 PolarHBondContact O-N 3.07Å; V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.08Å
113	D	38.1	Very low	36.8	Very low	127 Å²	127	142.6 Å²	142.6	68%	0.679	77%	0.774	S	S	*	*			trans	-63.2	101.7	166.6	-73.6	-9.6	0	0	0	106.2	S111 D115	S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.03Å; S111-D113 PolarHBondContact OG-OD1 3Å; D113-D115 PolarHBondContact O-N 2.77Å
114	S	40	Very low	36.3	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	78%	0.778	S	S	*	*			trans	-75.5	46	179.9	-179.4	0	0	0	0	110.9	V112 C116	V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.08Å; S114-C116 PolarHBondContact O-N 2.77Å
115	D	42.4	Very low	35.5	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	78%	0.779	S	S	*	*			trans	-97.6	78.6	169.8	-68.5	-15.3	0	0	0	106.9	D113 N117	D113-D115 PolarHBondContact O-N 2.77Å; D115-N117 PolarHBondContact O-N 2.81Å
116	C	36.9	Very low	35.1	Very low	123 Å²	123	143 Å²	143	83%	0.831	78%	0.775	S	S	*	*			trans	-58.2	88.3	159.2	-72.2	0	0	0	0	107.4	S114 A118	S114-C116 PolarHBondContact O-N 2.77Å; C116-A118 PolarHBondContact O-N 3.35Å
117	N	33.6	Very low	34.6	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	79%	0.787	S	S	*	*			trans	-57.4	106.5	170.5	-85.2	-31.5	0	0	0	107.5	D115 L119	D115-N117 PolarHBondContact O-N 2.81Å; N117-L119 PolarHBondContact O-N 3.44Å
118	A	34.9	Very low	34.5	Very low	94 Å²	94	140 Å²	140	78%	0.777	77%	0.77	S	S	*	*			trans	-55.3	115.9	172.6	0	0	0	0	0	107.3	C116 N120	C116-A118 PolarHBondContact O-N 3.35Å; A118-N120 PolarHBondContact O-N 3.29Å
119	L	36.7	Very low	34.3	Very low	169 Å²	169	138 Å²	138	89%	0.885	77%	0.774	S	S	*	*			trans	-42	105.1	176.3	-86.3	156.6	0	0	0	109	N117 K121	N117-L119 PolarHBondContact O-N 3.44Å; L119-K121 PolarHBondContact O-N 3.01Å
120	N	30.2	Very low	34.1	Very low	140 Å²	140	137.5 Å²	137.5	75%	0.749	77%	0.771	S	S	*	*			trans	-57.6	100.7	179.3	178.9	-4.3	0	0	0	107.6	A118 N122	A118-N120 PolarHBondContact O-N 3.29Å; N120-N122 PolarHBondContact O-N 3.26Å
121	K	34.5	Very low	33.8	Very low	180 Å²	180	132.3 Å²	132.3	78%	0.783	76%	0.762	S	S	*	*			trans	-67.7	121.3	168.9	-70.1	177.4	-179.4	176.1	0	105.5	L119	L119-K121 PolarHBondContact O-N 3.01Å
122	N	33	Very low	33.7	Very low	129 Å²	129	133.5 Å²	133.5	69%	0.69	77%	0.765	S	S	*	*			trans	95.8	94.4	172.7	-38.7	-33.2	0	0	0	112.9	N120	N120-N122 PolarHBondContact O-N 3.26Å
123	N	30.9	Very low	33.1	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	76%	0.759	S	S	*	*				175.9	117.1	120.2	-81.4	-20.8	0	0	0	112.3
124	K	28.1	Very low	32.8	Very low	194 Å²	194	130.6 Å²	130.6	84%	0.843	76%	0.755	S	S	*	*			trans	52.8	96.3	134.2	-145.5	174.3	-174.2	-177.8	0	118.7
125	L	27	Very low	32.6	Very low	160 Å²	160	130.9 Å²	130.9	84%	0.838	76%	0.755	S	S	*	*			trans	18.5	103.3	139	-149.4	87.4	0	0	0	116.8
126	V	30.9	Very low	32.3	Very low	134 Å²	134	131.8 Å²	131.8	81%	0.812	76%	0.758	S	S	*	*			trans	-126.7	114.1	149	179	0	0	0	0	106.9	G128	V126-G128 PolarHBondContact O-N 2.81Å
127	T	27.8	Very low	32.5	Very low	133 Å²	133	133.4 Å²	133.4	82%	0.816	76%	0.758	S	S	*	*			trans	-58.6	77.8	168.2	37.8	0	0	0	0	110.1
128	G	30.5	Very low	32.9	Very low	55 Å²	55	130 Å²	130	57%	0.567	75%	0.746	S	S	*	*			trans	-99.6	124.5	158.4	0	0	0	0	0	107	V126 S130	V126-G128 PolarHBondContact O-N 2.81Å; G128-S130 PolarHBondContact O-N 2.99Å
129	I	30.8	Very low	33.2	Very low	171 Å²	171	129.7 Å²	129.7	88%	0.877	74%	0.737	S	S	*	*			trans	-52.2	88.6	166.6	-6.3	175.3	0	0	0	107.2	T131	I129-T131 PolarHBondContact O-N 2.68Å
130	S	33.2	Very low	33.5	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	73%	0.731	S	S	*	*			trans	-81	86.6	173.8	-171.4	0	0	0	0	105.1	G128 V132	G128-S130 PolarHBondContact O-N 2.99Å; S130-V132 PolarHBondContact O-N 2.83Å
131	T	29.3	Very low	34	Very low	110 Å²	110	129.2 Å²	129.2	68%	0.675	73%	0.73	S	S	*	*			trans	-57.3	101	162.6	-49	0	0	0	0	105.2	I129 V133	I129-T131 PolarHBondContact O-N 2.68Å; T131-V133 HydrophobicContact CG2-CG2 4.08Å; T131-V133 PolarHBondContact O-N 2.93Å
132	V	36	Very low	34.6	Very low	120 Å²	120	128.5 Å²	128.5	73%	0.727	73%	0.73	S	S	*	*			trans	-67.1	84.3	169.1	-171.6	0	0	0	0	104.8	S130 S134	S130-V132 PolarHBondContact O-N 2.83Å; V132-S134 PolarHBondContact O-N 2.69Å
133	V	30	Very low	35.4	Very low	110 Å²	110	127.3 Å²	127.3	67%	0.667	73%	0.727	S	S	*	*			trans	-64.9	97.8	165.5	-178.2	0	0	0	0	103.4	T131	T131-V133 HydrophobicContact CG2-CG2 4.08Å; T131-V133 PolarHBondContact O-N 2.93Å
134	S	31.5	Very low	36.1	Very low	86 Å²	86	128 Å²	128	60%	0.601	73%	0.725	S	S	*	*			trans	-50.8	127.5	167.4	-65.9	0	0	0	0	106	V132 I136	V132-S134 PolarHBondContact O-N 2.69Å; S134-I136 PolarHBondContact O-N 2.81Å
135	P	36.7	Very low	36.9	Very low	103 Å²	103	128.7 Å²	128.7	67%	0.669	72%	0.723	S	S	*	*			trans	-55.4	115.5	173.1	22.3	-30.2	0	0	0	105.7	L137	P135-L137 PolarHBondContact O-N 2.73Å
136	I	36.1	Very low	37.9	Very low	148 Å²	148	125.6 Å²	125.6	76%	0.759	71%	0.714	S	S	*	*			trans	-60.1	95.2	163.7	-65.2	169.2	0	0	0	102.9	S134 S138	S134-I136 PolarHBondContact O-N 2.81Å; I136-S138 PolarHBondContact O-N 3.15Å
137	L	41.7	Very low	38.7	Very low	157 Å²	157	124.9 Å²	124.9	82%	0.822	71%	0.71	S	S	*	*			trans	-70.5	61.4	170.2	-66.7	171.6	0	0	0	107.1	P135 S139	P135-L137 PolarHBondContact O-N 2.73Å; L137-S139 VanDerWaalsContact C-N 3.29Å
138	S	41.2	Very low	39.5	Very low	77 Å²	77	124.8 Å²	124.8	54%	0.538	70%	0.704	S	S	.	*			trans	-104.9	49.9	162.6	-158.6	0	0	0	0	106.7	I136 D140	I136-S138 PolarHBondContact O-N 3.15Å; S138-D140 PolarHBondContact O-N 2.77Å; S138-D140 VanDerWaalsContact O-N 3.12Å
139	S	41.4	Very low	40.1	Very low	86 Å²	86	129.9 Å²	129.9	60%	0.601	72%	0.717	S	S	*	*			trans	-78.9	83.7	151.4	-63.9	0	0	0	0	104.5	L137 H141	L137-S139 VanDerWaalsContact C-N 3.29Å; S139-H141 PolarHBondContact O-N 3.22Å
140	D	42.3	Very low	40.7	Very low	140 Å²	140	123.8 Å²	123.8	75%	0.749	70%	0.697	S	S	*	*			trans	-54.3	83.1	148.4	-69.1	-42.7	0	0	0	105.1	S138 E142	S138-D140 PolarHBondContact O-N 2.77Å; S138-D140 VanDerWaalsContact O-N 3.12Å; D140-E142 PolarHBondContact O-N 2.84Å
141	H	42.1	Very low	41.4	Very low	159 Å²	159	126.6 Å²	126.6	74%	0.736	70%	0.703	S	S	*	*			trans	-67	80.4	157.4	-77.8	-67.4	0	0	0	103.6	S139 V143	S139-H141 PolarHBondContact O-N 3.22Å; H141-V143 PolarHBondContact O-N 3.44Å
142	E	46.6	Very low	42.3	Very low	165 Å²	165	125.7 Å²	125.7	77%	0.771	70%	0.702	S	S	*	*			trans	-56.8	89.9	158.4	-168.4	179.9	-167.9	0	0	104.1	D140 Q144	D140-E142 PolarHBondContact O-N 2.84Å; E142-Q144 PolarHBondContact O-N 3Å
143	V	49.6	Very low	43.2	Very low	104 Å²	104	125.8 Å²	125.8	63%	0.63	70%	0.698	S	S	*	*			trans	-61.3	97.4	169.8	178.5	0	0	0	0	103.1	H141 R145	H141-V143 PolarHBondContact O-N 3.44Å; V143-R145 HydrophobicContact CG1-CG 3.97Å; V143-R145 PolarHBondContact O-N 2.87Å
144	Q	44.6	Very low	44.3	Very low	171 Å²	171	125.7 Å²	125.7	80%	0.799	70%	0.702	S	S	*	*			trans	-60	86.4	165.2	-82.2	177.5	-7.1	0	0	105.8	E142 S146	E142-Q144 PolarHBondContact O-N 3Å; Q144-S146 VanDerWaalsContact C-N 3.3Å; Q144-S146 PolarHBondContact O-N 3.49Å
145	R	46.6	Very low	45.4	Very low	210 Å²	210	130.7 Å²	130.7	79%	0.792	71%	0.708	S	S	*	*			trans	-66	104.2	165.1	-60.5	-177.5	-173.4	-139.4	1.2	102.8	V143 V147	V143-R145 HydrophobicContact CG1-CG 3.97Å; V143-R145 PolarHBondContact O-N 2.87Å; R145-V147 PolarHBondContact O-N 3.1Å
146	S	46.6	Very low	46.4	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	71%	0.713	S	S	*	*			trans	-55.5	104	164	55.7	0	0	0	0	105.1	Q144 N148	Q144-S146 VanDerWaalsContact C-N 3.3Å; Q144-S146 PolarHBondContact O-N 3.49Å; S146-N148 PolarHBondContact O-N 2.95Å
147	V	49.1	Very low	47.3	Very low	119 Å²	119	130.9 Å²	130.9	72%	0.721	71%	0.711	S	S	*	*			trans	-64.7	96.3	163.9	-177.7	0	0	0	0	102.2	R145 I149	R145-V147 PolarHBondContact O-N 3.1Å; V147-I149 WeakPolarHBondContact O-CD1 3.38Å; V147-I149 PolarHBondContact O-N 2.93Å
148	N	43.3	Very low	47.9	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	70%	0.695	S	S	*	*			trans	-55.2	107.7	163.6	-69.6	-31.2	0	0	0	103	S146 G150	S146-N148 PolarHBondContact O-N 2.95Å; N148-G150 PolarHBondContact O-N 2.95Å
149	I	43.8	Very low	48.7	Very low	161 Å²	161	129.4 Å²	129.4	83%	0.826	70%	0.703	S	S	*	*			trans	-67.1	62.6	160.3	-56.9	104	0	0	0	104.9	V147	V147-I149 WeakPolarHBondContact O-CD1 3.38Å; V147-I149 PolarHBondContact O-N 2.93Å
150	G	42.3	Very low	49.2	Very low	44 Å²	44	129.6 Å²	129.6	45%	0.454	71%	0.71	S	S	.	*			trans	-84.1	122.4	164.3	0	0	0	0	0	103.8	N148 S152	N148-G150 PolarHBondContact O-N 2.95Å; G150-S152 PolarHBondContact O-N 2.84Å; G150-S152 PolarHBondContact O-OG 2.74Å; G150-S152 VanDerWaalsContact O-OG 3.07Å
151	D	48.2	Very low	49.6	Very low	162 Å²	162	129.3 Å²	129.3	87%	0.866	71%	0.706	S	S	*	*			trans	-35	51.4	172.3	-70.7	-38.4	0	0	0	115.6	D153	D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 2.84Å
152	S	49.6	Very low	50	Low	92 Å²	92	126.6 Å²	126.6	64%	0.643	70%	0.696	S	S	*	*			trans	-76.2	99	171.9	-56.7	0	0	0	0	102.4	G150 S154	G150-S152 PolarHBondContact O-N 2.84Å; G150-S152 PolarHBondContact O-OG 2.74Å; G150-S152 VanDerWaalsContact O-OG 3.07Å; S152-S154 PolarHBondContact O-N 3.3Å; S152-S154 PolarHBondContact O-OG 2.8Å
153	D	53.7	Low	50.2	Low	122 Å²	122	122 Å²	122	65%	0.652	68%	0.681	S	S	*	*			trans	-35.6	80.4	159.7	-95.4	-63.4	0	0	0	108.5	D151 R155	D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 2.84Å; D153-R155 HydrophobicContact CB-CG 4.4Å; D153-R155 PolarHBondContact O-N 3.44Å; D153-R155 IonicContact OD1-CZ 3.6Å; D153-R155 IonicContact OD1-NE 3.1Å; D153-R155 PolarHBondContact OD1-NE 2.99Å; D153-R155 VanDerWaalsContact OD1-NE 3.1Å; D153-R155 IonicContact OD1-NH2 3.17Å; D153-R155 PolarHBondContact OD1-NH2 3.17Å; D153-R155 VanDerWaalsContact OD1-NH2 3.17Å
154	S	53.2	Low	50.5	Low	108 Å²	108	123.2 Å²	123.2	76%	0.755	69%	0.685	S	S	*	*			trans	-82.8	54.6	179.7	-57	0	0	0	0	105.4	S152 P156	S152-S154 PolarHBondContact O-N 3.3Å; S152-S154 PolarHBondContact O-OG 2.8Å; S154-P156 WeakPolarHBondContact O-CD 3.14Å
155	R	54.9	Low	51	Low	190 Å²	190	121.5 Å²	121.5	72%	0.717	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-65.6	121.1	168.7	-59.4	-175.2	-167	-155.4	4.5	103.5	D153 L157	D153-R155 HydrophobicContact CB-CG 4.4Å; D153-R155 PolarHBondContact O-N 3.44Å; D153-R155 IonicContact OD1-CZ 3.6Å; D153-R155 IonicContact OD1-NE 3.1Å; D153-R155 PolarHBondContact OD1-NE 2.99Å; D153-R155 VanDerWaalsContact OD1-NE 3.1Å; D153-R155 IonicContact OD1-NH2 3.17Å; D153-R155 PolarHBondContact OD1-NH2 3.17Å; D153-R155 VanDerWaalsContact OD1-NH2 3.17Å; R155-L157 PolarHBondContact O-N 2.91Å
156	P	57.9	Low	51.5	Low	120 Å²	120	118.5 Å²	118.5	78%	0.779	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-49.5	137.7	174.3	20.5	-30.6	0	0	0	107.7	S154 S158	S154-P156 WeakPolarHBondContact O-CD 3.14Å; P156-S158 PolarHBondContact O-N 3.1Å
157	L	55.4	Low	51.8	Low	136 Å²	136	123.2 Å²	123.2	71%	0.712	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-47.6	119.8	174.6	-66.5	171.7	0	0	0	106.8	R155 D159 M161	R155-L157 PolarHBondContact O-N 2.91Å; L157-D159 PolarHBondContact O-N 2.82Å; L157-M161 HydrophobicContact CD2-SD 4.05Å
158	S	54.3	Low	52.2	Low	71 Å²	71	123.6 Å²	123.6	50%	0.497	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-52.4	141.1	-177.4	55.1	0	0	0	0	109.5	P156 A160 M161	P156-S158 PolarHBondContact O-N 3.1Å; S158-A160 PolarHBondContact O-N 2.59Å; S158-M161 PolarHBondContact O-N 2.78Å
159	D	56.9	Low	52.9	Low	131 Å²	131	124.9 Å²	124.9	70%	0.701	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.4	-20.9	-180	-64.7	-29.1	0	0	0	113.3	L157 M161 I162	L157-D159 PolarHBondContact O-N 2.82Å; D159-M161 PolarHBondContact O-N 2.72Å; D159-I162 HydrophobicContact CB-CD1 4.37Å; D159-I162 HydrophobicContact CB-CG1 4.31Å; D159-I162 CarbonylContact O-C 3.51Å; D159-I162 WeakPolarHBondContact O-CG1 3.47Å; D159-I162 PolarHBondContact O-N 2.89Å
160	A	52.9	Low	53.4	Low	90 Å²	90	123.8 Å²	123.8	74%	0.744	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	172.1	0	0	0	0	0	114.6	S158	S158-A160 PolarHBondContact O-N 2.59Å
161	M	49.1	Very low	53.8	Low	134 Å²	134	132.1 Å²	132.1	66%	0.66	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-26.1	177.9	-72.8	-163.3	70.1	0	0	113.1	L157 S158 D159 S163	L157-M161 HydrophobicContact CD2-SD 4.05Å; S158-M161 PolarHBondContact O-N 2.78Å; D159-M161 PolarHBondContact O-N 2.72Å; M161-S163 PolarHBondContact O-N 2.96Å
162	I	51.4	Low	53.8	Low	102 Å²	102	130.7 Å²	130.7	52%	0.523	69%	0.691	S	S	.	*	S	Bend	trans	-81	73.9	163.2	45.1	176.2	0	0	0	107	D159 N164	D159-I162 HydrophobicContact CB-CD1 4.37Å; D159-I162 HydrophobicContact CB-CG1 4.31Å; D159-I162 CarbonylContact O-C 3.51Å; D159-I162 WeakPolarHBondContact O-CG1 3.47Å; D159-I162 PolarHBondContact O-N 2.89Å; I162-N164 VanDerWaalsContact C-N 3.3Å; I162-N164 PolarHBondContact O-N 3.07Å
163	S	51	Low	54.1	Low	68 Å²	68	131.5 Å²	131.5	48%	0.476	69%	0.687	S	S	.	*			trans	-61.1	102.5	167.7	-167.1	0	0	0	0	107.2	M161 H165	M161-S163 PolarHBondContact O-N 2.96Å; S163-H165 PolarHBondContact O-N 2.57Å; S163-H165 PolarHBondContact OG-CD2 2.71Å; S163-H165 PolarHBondContact OG-CE1 2.8Å; S163-H165 PolarHBondContact OG-ND1 2.82Å; S163-H165 PolarHBondContact OG-NE2 2.7Å; S163-H165 VanDerWaalsContact OG-NE2 3.11Å
164	N	55.1	Low	53.8	Low	131 Å²	131	132 Å²	132	70%	0.701	69%	0.689	S	S	*	*			trans	-65.8	71	161.7	-65.3	-28.2	0	0	0	106.4	I162 D166	I162-N164 VanDerWaalsContact C-N 3.3Å; I162-N164 PolarHBondContact O-N 3.07Å; N164-D166 PolarHBondContact O-N 2.73Å
165	H	55.8	Low	53.7	Low	134 Å²	134	135.4 Å²	135.4	62%	0.62	69%	0.687	S	S	*	*			trans	-66	89.1	152.2	-65.7	-50.6	0	0	0	103.9	S163 Y167	S163-H165 PolarHBondContact O-N 2.57Å; S163-H165 PolarHBondContact OG-CD2 2.71Å; S163-H165 PolarHBondContact OG-CE1 2.8Å; S163-H165 PolarHBondContact OG-ND1 2.82Å; S163-H165 PolarHBondContact OG-NE2 2.7Å; S163-H165 VanDerWaalsContact OG-NE2 3.11Å; H165-Y167 WeakPolarHBondContact O-CD2 3.26Å; H165-Y167 PolarHBondContact O-N 2.76Å
166	D	57.3	Low	53.4	Low	147 Å²	147	134.3 Å²	134.3	79%	0.786	69%	0.69	S	S	*	*			trans	-52.1	93.8	156.9	-72.8	-38.2	0	0	0	104.4	N164 D168	N164-D166 PolarHBondContact O-N 2.73Å; D166-D168 VanDerWaalsContact C-N 3.26Å; D166-D168 PolarHBondContact O-N 2.7Å
167	Y	53.3	Low	53.2	Low	194 Å²	194	136.5 Å²	136.5	76%	0.761	69%	0.69	S	S	*	*			trans	-57.7	107.8	168.1	-80.1	-88.2	0	0	0	103.3	H165 L169	H165-Y167 WeakPolarHBondContact O-CD2 3.26Å; H165-Y167 PolarHBondContact O-N 2.76Å; Y167-L169 PolarHBondContact O-N 2.86Å
168	D	56.1	Low	53	Low	126 Å²	126	136.8 Å²	136.8	67%	0.674	69%	0.691	S	S	*	*			trans	-63.5	81.6	171.2	-155.1	-5.9	0	0	0	105.5	D166 N170 R171	D166-D168 VanDerWaalsContact C-N 3.26Å; D166-D168 PolarHBondContact O-N 2.7Å; D168-N170 PolarHBondContact O-N 2.76Å; D168-R171 PolarHBondContact O-N 3.12Å
169	L	58.1	Low	52.7	Low	160 Å²	160	136.9 Å²	136.9	84%	0.838	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-13.6	178.6	-119.2	86.5	0	0	0	110.1	Y167 R171	Y167-L169 PolarHBondContact O-N 2.86Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 2.77Å
170	N	55.4	Low	52.4	Low	138 Å²	138	138.8 Å²	138.8	74%	0.738	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	20.6	176.5	-142.9	23.7	0	0	0	113.3	D168 N172	D168-N170 PolarHBondContact O-N 2.76Å; N170-N172 PolarHBondContact O-N 2.89Å
171	R	49.7	Very low	51.9	Low	218 Å²	218	142.2 Å²	142.2	82%	0.823	70%	0.699	S	S	*	*	S	Bend	trans	-64.5	81.9	162.6	-164.8	-172.7	-70.7	-129.3	2.8	107.7	D168 L169 I173	D168-R171 PolarHBondContact O-N 3.12Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 2.77Å; R171-I173 WeakPolarHBondContact O-CG1 3.5Å; R171-I173 PolarHBondContact O-N 2.89Å
172	N	49.3	Very low	51.6	Low	132 Å²	132	140.2 Å²	140.2	71%	0.706	70%	0.698	S	S	*	*			trans	-13.1	79.9	167.1	-172	3.6	0	0	0	110.8	N170 N174	N170-N172 PolarHBondContact O-N 2.89Å; N172-N174 PolarHBondContact O-N 2.75Å
173	I	54.9	Low	51.1	Low	109 Å²	109	139.5 Å²	139.5	56%	0.559	70%	0.702	S	S	*	*			trans	-74.1	97	167.3	-24.5	177.2	0	0	0	99.8	R171 Y175	R171-I173 WeakPolarHBondContact O-CG1 3.5Å; R171-I173 PolarHBondContact O-N 2.89Å; I173-Y175 HydrophobicContact CB-CD2 3.97Å; I173-Y175 HydrophobicContact CB-CE2 3.7Å; I173-Y175 HydrophobicContact CD1-CE2 3.81Å; I173-Y175 HydrophobicContact CG1-CE2 4.13Å; I173-Y175 HydrophobicContact CG2-CE2 4.33Å; I173-Y175 VanDerWaalsContact O-CD2 3.23Å; I173-Y175 WeakPolarHBondContact O-CD2 3.42Å; I173-Y175 PolarHBondContact O-N 2.88Å
174	N	48.2	Very low	50.6	Low	133 Å²	133	144 Å²	144	71%	0.711	72%	0.72	S	S	*	*			trans	-59.4	78.2	170.4	-163.9	-3.2	0	0	0	105.2	N172 Q176	N172-N174 PolarHBondContact O-N 2.75Å; N174-Q176 PolarHBondContact O-N 3.34Å
175	Y	50	Low	49.8	Very low	179 Å²	179	145.1 Å²	145.1	70%	0.702	72%	0.721	S	S	*	*			trans	-66.2	91.7	167.6	-75.7	-75.6	0	0	0	102.6	I173 E177	I173-Y175 HydrophobicContact CB-CD2 3.97Å; I173-Y175 HydrophobicContact CB-CE2 3.7Å; I173-Y175 HydrophobicContact CD1-CE2 3.81Å; I173-Y175 HydrophobicContact CG1-CE2 4.13Å; I173-Y175 HydrophobicContact CG2-CE2 4.33Å; I173-Y175 VanDerWaalsContact O-CD2 3.23Å; I173-Y175 WeakPolarHBondContact O-CD2 3.42Å; I173-Y175 PolarHBondContact O-N 2.88Å; Y175-E177 PolarHBondContact O-N 2.97Å
176	Q	50.1	Low	48.9	Very low	167 Å²	167	148 Å²	148	78%	0.78	74%	0.735	S	S	*	*			trans	-63.8	89.1	162.2	-159.9	156.1	20.6	0	0	104	N174 I178	N174-Q176 PolarHBondContact O-N 3.34Å; Q176-I178 PolarHBondContact O-N 2.84Å
177	E	52.3	Low	48.1	Very low	166 Å²	166	148.5 Å²	148.5	78%	0.776	73%	0.732	S	S	*	*			trans	-53.4	100.7	167.1	-72.8	-176.3	164.7	0	0	104.7	Y175 S179	Y175-E177 PolarHBondContact O-N 2.97Å; E177-S179 PolarHBondContact O-N 2.78Å
178	I	52.9	Low	47.3	Very low	142 Å²	142	145.6 Å²	145.6	73%	0.728	73%	0.73	S	S	*	*			trans	-68.4	84.6	164.3	36	165.8	0	0	0	104.8	Q176 M180	Q176-I178 PolarHBondContact O-N 2.84Å; I178-M180 VanDerWaalsContact C-N 3.25Å; I178-M180 PolarHBondContact O-N 2.8Å
179	S	48	Very low	46.3	Very low	74 Å²	74	150.8 Å²	150.8	52%	0.517	74%	0.74	S	S	.	*			trans	-54.4	99.1	163.5	-67.2	0	0	0	0	106.3	E177 E181	E177-S179 PolarHBondContact O-N 2.78Å; S179-E181 PolarHBondContact O-N 2.72Å
180	M	49.6	Very low	45.5	Very low	171 Å²	171	152.5 Å²	152.5	84%	0.842	74%	0.741	S	S	*	*			trans	-75.4	44.4	163.2	-64.6	-173.3	-64.5	0	0	108.8	I178 S182	I178-M180 VanDerWaalsContact C-N 3.25Å; I178-M180 PolarHBondContact O-N 2.8Å; M180-S182 PolarHBondContact O-N 3.02Å
181	E	43.2	Very low	44.9	Very low	161 Å²	161	153.4 Å²	153.4	75%	0.752	75%	0.745	S	S	*	*			trans	-67.1	92.3	165.9	-84.4	154.9	178.7	0	0	105.5	S179 S183	S179-E181 PolarHBondContact O-N 2.72Å; E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 2.83Å
182	S	42.5	Very low	44.5	Very low	93 Å²	93	146.3 Å²	146.3	65%	0.65	73%	0.729	S	S	*	*			trans	-49.3	99.7	161.3	52.9	0	0	0	0	106.2	M180 L184	M180-S182 PolarHBondContact O-N 3.02Å; S182-L184 PolarHBondContact O-N 2.71Å
183	S	40	Very low	44.2	Very low	86 Å²	86	147.6 Å²	147.6	60%	0.601	74%	0.736	S	S	*	*			trans	-64.1	93.2	160.4	-166	0	0	0	0	105.1	E181 Q185	E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 2.83Å; S183-Q185 PolarHBondContact O-N 2.91Å; S183-Q185 WeakPolarHBondContact OG-CB 3.34Å; S183-Q185 PolarHBondContact OG-OE1 3.04Å; S183-Q185 VanDerWaalsContact OG-OE1 3.14Å
184	L	41.2	Very low	43.9	Very low	164 Å²	164	149.8 Å²	149.8	86%	0.859	74%	0.744	S	S	*	*			trans	-66.3	62.4	154.7	-73.3	167.9	0	0	0	106.5	S182	S182-L184 PolarHBondContact O-N 2.71Å
185	Q	38.5	Very low	43.8	Very low	153 Å²	153	152 Å²	152	72%	0.715	75%	0.75	S	S	*	*			trans	-98.4	87.2	159.7	-92.8	164.1	-9.8	0	0	105.5	S183 E187	S183-Q185 PolarHBondContact O-N 2.91Å; S183-Q185 WeakPolarHBondContact OG-CB 3.34Å; S183-Q185 PolarHBondContact OG-OE1 3.04Å; S183-Q185 VanDerWaalsContact OG-OE1 3.14Å; Q185-E187 PolarHBondContact O-N 2.9Å
186	E	37	Very low	44	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	75%	0.746	S	S	*	*			trans	-49.7	84.9	152.9	-172.4	161.9	-161.3	0	0	108.7
187	E	39	Very low	44.3	Very low	158 Å²	158	149 Å²	149	74%	0.738	75%	0.75	S	S	*	*			trans	-148.2	103.4	167.5	-132.9	169	-167.8	0	0	110.5	Q185	Q185-E187 PolarHBondContact O-N 2.9Å
188	D	37	Very low	44.4	Very low	132 Å²	132	150.3 Å²	150.3	71%	0.706	75%	0.748	S	S	*	*			trans	61.7	94.9	144.9	-62.6	-25.9	0	0	0	120.3	K190	D188-K190 PolarHBondContact O-N 2.82Å
189	R	35.9	Very low	44.6	Very low	236 Å²	236	152.8 Å²	152.8	89%	0.891	75%	0.754	S	S	*	*				24.1	73.8	122.9	-70.1	-178.3	172	173.8	-0.8	115.7
190	K	40.9	Very low	45.8	Very low	196 Å²	196	154.4 Å²	154.4	85%	0.852	77%	0.765	S	S	*	*			trans	-129.6	99.2	152.5	-81.9	-175.6	-178.1	169.3	0	110.2	D188 S192	D188-K190 PolarHBondContact O-N 2.82Å; K190-S192 VanDerWaalsContact C-N 3.3Å; K190-S192 PolarHBondContact O-N 2.85Å
191	N	42.3	Very low	46.8	Very low	156 Å²	156	154.4 Å²	154.4	83%	0.834	76%	0.763	S	S	*	*			trans	-42.2	82.5	171.3	-39.4	-4.5	0	0	0	111.1
192	S	42.1	Very low	48.4	Very low	69 Å²	69	152 Å²	152	48%	0.483	76%	0.761	S	S	.	*			trans	-99.9	113.6	171	168.6	0	0	0	0	107	K190 H194	K190-S192 VanDerWaalsContact C-N 3.3Å; K190-S192 PolarHBondContact O-N 2.85Å; S192-H194 PolarHBondContact O-N 2.79Å; S192-H194 PolarHBondContact OG-CD2 2.75Å; S192-H194 PolarHBondContact OG-CE1 2.8Å; S192-H194 PolarHBondContact OG-NE2 2.91Å
193	N	43.2	Very low	50.2	Low	160 Å²	160	153.5 Å²	153.5	86%	0.856	77%	0.769	S	S	*	*			trans	-62	76.2	172.7	-70.8	-53.2	0	0	0	109.8	Q195	N193-Q195 VanDerWaalsContact C-N 3.29Å; N193-Q195 PolarHBondContact O-N 2.76Å
194	H	47.5	Very low	51.9	Low	154 Å²	154	157.1 Å²	157.1	71%	0.713	78%	0.78	S	S	*	*			trans	-73.7	94.3	166.9	-69.5	-52.2	0	0	0	106.9	S192 I196	S192-H194 PolarHBondContact O-N 2.79Å; S192-H194 PolarHBondContact OG-CD2 2.75Å; S192-H194 PolarHBondContact OG-CE1 2.8Å; S192-H194 PolarHBondContact OG-NE2 2.91Å; H194-I196 PolarHBondContact O-N 2.75Å
195	Q	45.7	Very low	53.7	Low	179 Å²	179	154.1 Å²	154.1	84%	0.836	77%	0.771	S	S	*	*			trans	-51.3	106.5	164.2	-68.6	-176.7	16.8	0	0	106.8	N193 L197	N193-Q195 VanDerWaalsContact C-N 3.29Å; N193-Q195 PolarHBondContact O-N 2.76Å; Q195-L197 VanDerWaalsContact C-N 3.35Å; Q195-L197 PolarHBondContact O-N 3.37Å
196	I	56.1	Low	55.7	Low	123 Å²	123	152 Å²	152	63%	0.631	77%	0.771	S	S	*	*			trans	-59.9	105.6	172.3	-60.9	166.7	0	0	0	104.5	H194 Y198	H194-I196 PolarHBondContact O-N 2.75Å; I196-Y198 HydrophobicContact CB-CE2 4.31Å; I196-Y198 HydrophobicContact CG2-CE1 4.36Å; I196-Y198 HydrophobicContact CG2-CE2 4.46Å; I196-Y198 WeakPolarHBondContact O-CD2 3.44Å; I196-Y198 PolarHBondContact O-N 2.88Å
197	L	54.5	Low	57.8	Low	162 Å²	162	150.9 Å²	150.9	85%	0.848	77%	0.77	S	S	*	*			trans	-68.6	86.6	178.9	-163.1	80.7	0	0	0	106.6	Q195 K199	Q195-L197 VanDerWaalsContact C-N 3.35Å; Q195-L197 PolarHBondContact O-N 3.37Å; L197-K199 PolarHBondContact O-N 2.8Å
198	Y	55	Low	59.3	Low	192 Å²	192	155 Å²	155	75%	0.753	78%	0.779	S	S	*	*			trans	-57.9	110.5	176.2	-71.6	-80.2	0	0	0	107.5	I196 S200	I196-Y198 HydrophobicContact CB-CE2 4.31Å; I196-Y198 HydrophobicContact CG2-CE1 4.36Å; I196-Y198 HydrophobicContact CG2-CE2 4.46Å; I196-Y198 WeakPolarHBondContact O-CD2 3.44Å; I196-Y198 PolarHBondContact O-N 2.88Å; Y198-S200 PolarHBondContact O-N 2.9Å
199	K	56.8	Low	60.6	Low	195 Å²	195	158.6 Å²	158.6	85%	0.848	78%	0.784	S	S	*	*			trans	-71.6	86.7	177.4	-158.1	131.9	176.2	-178.8	0	107.2	L197 H201	L197-K199 PolarHBondContact O-N 2.8Å; K199-H201 PolarHBondContact O-N 3.41Å
200	S	73.6	Confident	61.5	Low	107 Å²	107	153.1 Å²	153.1	75%	0.748	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.2	131.1	178.9	56.5	0	0	0	0	109.8	Y198	Y198-S200 PolarHBondContact O-N 2.9Å
201	H	69.9	Low	61.9	Low	172 Å²	172	149 Å²	149	80%	0.796	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67	147.2	171.1	-66.4	-71.8	0	0	0	110.6	K199	K199-H201 PolarHBondContact O-N 3.41Å
202	P	78.7	Confident	62.4	Low	109 Å²	109	147.6 Å²	147.6	71%	0.708	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-60.8	150.3	173.9	26.1	-33.6	0	0	0	110.7
203	P	79	Confident	62.7	Low	126 Å²	126	150.9 Å²	150.9	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-60.7	143.4	179.9	24.9	-33.1	0	0	0	111.3
204	L	76.2	Confident	62.8	Low	161 Å²	161	150.4 Å²	150.4	84%	0.843	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.5	146.6	173.6	-71.6	163.4	0	0	0	110.4
205	P	78.8	Confident	62.5	Low	102 Å²	102	146.8 Å²	146.8	66%	0.662	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-63.7	153.2	175	26.7	-33.3	0	0	0	111.2	L207	P205-L207 PolarHBondContact O-N 3.41Å
206	P	81.2	Confident	62.3	Low	109 Å²	109	144 Å²	144	71%	0.708	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-55.7	131.8	177	-21.6	30.9	0	0	0	111.4	W208	P206-W208 PolarHBondContact O-N 2.93Å
207	L	80.1	Confident	61.9	Low	170 Å²	170	143 Å²	143	89%	0.89	78%	0.776	S	S	*	*			trans	-75.9	112.7	167.9	-67.2	172.6	0	0	0	107.9	P205 Y209	P205-L207 PolarHBondContact O-N 3.41Å; L207-Y209 PolarHBondContact O-N 3.21Å
208	W	71.3	Confident	61.6	Low	246 Å²	246	140.6 Å²	140.6	93%	0.932	77%	0.772	S	S	*	*			trans	-69.8	101.3	173.9	-68.9	60.4	0	0	0	107.8	P206 N210	P206-W208 PolarHBondContact O-N 2.93Å; W208-N210 PolarHBondContact O-N 3.15Å
209	Y	63.2	Low	61.1	Low	206 Å²	206	138.8 Å²	138.8	81%	0.808	78%	0.776	S	S	*	*			trans	-73.7	109.4	176.2	-169.5	-97.8	0	0	0	109.2	L207 N211	L207-Y209 PolarHBondContact O-N 3.21Å; Y209-N211 HydrophobicContact CD1-CB 4.18Å; Y209-N211 HydrophobicContact CE1-CB 4.2Å; Y209-N211 PolarHBondContact O-N 2.83Å
210	N	54.4	Low	60.2	Low	122 Å²	122	132.9 Å²	132.9	65%	0.652	77%	0.77	S	S	*	*			trans	-80.4	98.1	175.1	-170.2	11.1	0	0	0	109.5	W208 N212	W208-N210 PolarHBondContact O-N 3.15Å; N210-N212 PolarHBondContact ND2-ND2 3.12Å; N210-N212 PolarHBondContact O-N 2.83Å; N210-N212 VanDerWaalsContact O-N 3.15Å; N210-N212 PolarHBondContact OD1-OD1 2.89Å
211	N	50.6	Low	58.6	Low	108 Å²	108	131.5 Å²	131.5	58%	0.578	77%	0.773	S	S	*	*			trans	-82.7	84.3	176.3	-172.3	5.3	0	0	0	110.5	Y209 N213	Y209-N211 HydrophobicContact CD1-CB 4.18Å; Y209-N211 HydrophobicContact CE1-CB 4.2Å; Y209-N211 PolarHBondContact O-N 2.83Å; N211-N213 VanDerWaalsContact C-N 3.3Å; N211-N213 PolarHBondContact O-N 2.85Å; N211-N213 VanDerWaalsContact O-N 3.16Å
212	N	52.6	Low	57	Low	127 Å²	127	135.3 Å²	135.3	68%	0.679	80%	0.798	S	S	*	*			trans	-82.9	71.4	169	-69.7	-31	0	0	0	110.1	N210	N210-N212 PolarHBondContact ND2-ND2 3.12Å; N210-N212 PolarHBondContact O-N 2.83Å; N210-N212 VanDerWaalsContact O-N 3.15Å; N210-N212 PolarHBondContact OD1-OD1 2.89Å
213	N	48.4	Very low	55.9	Low	138 Å²	138	136.6 Å²	136.6	74%	0.738	80%	0.802	S	S	*	*			trans	-141.9	76.7	169.6	-94	-21.7	0	0	0	110.6	N211	N211-N213 VanDerWaalsContact C-N 3.3Å; N211-N213 PolarHBondContact O-N 2.85Å; N211-N213 VanDerWaalsContact O-N 3.16Å
214	T	44.6	Very low	54.7	Low	150 Å²	150	137.2 Å²	137.2	92%	0.92	80%	0.802	S	S	*	*			trans	-143.6	92.6	164.1	36.4	0	0	0	0	109.1
215	G	41.6	Very low	53.5	Low	78 Å²	78	135.8 Å²	135.8	80%	0.804	80%	0.799	S	S	*	*			trans	177.2	24.1	177.4	0	0	0	0	0	116.5
216	S	42.5	Very low	52.1	Low	121 Å²	121	137.8 Å²	137.8	85%	0.846	81%	0.807	S	S	*	*			trans	-109.2	83	164.8	-58.5	0	0	0	0	108	S218	S216-S218 PolarHBondContact O-N 2.75Å
217	S	45.8	Very low	50.2	Low	103 Å²	103	139.6 Å²	139.6	72%	0.72	81%	0.813	S	S	*	*			trans	-63.4	87.3	165.4	-179	0	0	0	0	108.2	N219	S217-N219 PolarHBondContact O-N 2.87Å; S217-N219 VanDerWaalsContact O-N 3.12Å
218	S	48.7	Very low	48.2	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	81%	0.808	S	S	*	*			trans	-74.6	97.4	165.5	58.4	0	0	0	0	107.9	S216 G220	S216-S218 PolarHBondContact O-N 2.75Å; S218-G220 PolarHBondContact O-N 3.26Å
219	N	44.7	Very low	46.6	Very low	154 Å²	154	129.9 Å²	129.9	82%	0.824	80%	0.8	S	S	*	*			trans	-60.7	89.8	160.4	-77.5	-12.2	0	0	0	108.4	S217	S217-N219 PolarHBondContact O-N 2.87Å; S217-N219 VanDerWaalsContact O-N 3.12Å
220	G	38.6	Very low	45.3	Very low	71 Å²	71	124 Å²	124	73%	0.732	80%	0.799	S	S	*	*			trans	-112.7	73.2	167.8	0	0	0	0	0	108.8	S218	S218-G220 PolarHBondContact O-N 3.26Å
221	G	40.5	Very low	44.6	Very low	78 Å²	78	124.2 Å²	124.2	80%	0.804	81%	0.811	S	S	*	*			trans	-75.7	124.6	170	0	0	0	0	0	109.8
222	L	36.1	Very low	44	Very low	252 Å²	252	125.6 Å²	125.6	100%	1.319	83%	0.832	S	S	*	*			trans	-89.1	0	150.9	-73.7	171.7	0	0	0	108.4

Retrieved 222 of 222 residues in 72.3 ms (Link to these results)

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