A0A3Q0KTD4_SCHMA Loading...

Cyclin-dependent serine/threonine-protein kinase DDB_G0292550

AlphaFold DB , UniProt , Accession A0A3Q0KTD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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	36.4	Very low	30.4	Very low	235 Å²	235	174.2 Å²	174.2	100%	1.158	85%	0.846	S	S	*	*				0	114.2	0	-71.5	-169.6	164.8	0	0	107.1
2	R	29	Very low	30.2	Very low	221 Å²	221	175.3 Å²	175.3	83%	0.834	85%	0.849	S	S	*	*				41.9	120.2	110.2	-60.2	-172.9	-166	-174.4	4.9	111
3	H	34.2	Very low	29.7	Very low	170 Å²	170	177.8 Å²	177.8	79%	0.787	84%	0.844	S	S	*	*				-163.2	131.5	68.4	-80.6	-86.5	0	0	0	111.7
4	F	25.1	Very low	29.7	Very low	214 Å²	214	177.9 Å²	177.9	94%	0.939	84%	0.843	S	S	*	*			trans	-79	143	151.5	-91.1	-98.1	0	0	0	108
5	S	35.2	Very low	29.5	Very low	109 Å²	109	177.1 Å²	177.1	76%	0.762	84%	0.838	S	S	*	*			trans	-148.4	98.2	164.5	44.1	0	0	0	0	109.2
6	E	32.4	Very low	29.6	Very low	190 Å²	190	176.3 Å²	176.3	89%	0.888	84%	0.839	S	S	*	*			trans	-76.4	152.1	147.6	-81	-177.6	163.9	0	0	109.2
7	P	32.7	Very low	29.4	Very low	111 Å²	111	173.8 Å²	173.8	72%	0.721	83%	0.832	S	S	*	*			trans	-145.9	166.5	133.3	31.6	-12.8	0	0	0	111.6
8	L	27.5	Very low	29.4	Very low	161 Å²	161	173.8 Å²	173.8	84%	0.843	83%	0.831	S	S	*	*			cis	-168	146.8	-2.2	-127.2	133.5	0	0	0	106.4
9	F	27.3	Very low	29.3	Very low	198 Å²	198	170.2 Å²	170.2	87%	0.868	83%	0.826	S	S	*	*			trans	-67	144.6	167.6	-99.1	-103.9	0	0	0	111.8
10	I	29.6	Very low	29.1	Very low	165 Å²	165	168.7 Å²	168.7	85%	0.846	82%	0.822	S	S	*	*			trans	-133.5	137.2	155.5	-62	-179	0	0	0	110.2
11	Q	24.6	Very low	29	Very low	142 Å²	142	171.8 Å²	171.8	66%	0.664	83%	0.825	S	S	*	*			trans	-104.2	142.3	-166.9	177.9	-177.3	7.4	0	0	109.3
12	Q	29	Very low	28.5	Very low	187 Å²	187	165.9 Å²	165.9	87%	0.874	81%	0.806	S	S	*	*			trans	-152.2	111	153.9	-110.8	171.1	10.4	0	0	111.2
13	R	23.4	Very low	28.3	Very low	208 Å²	208	162.4 Å²	162.4	79%	0.785	81%	0.81	S	S	*	*			trans	-79.5	137.8	167	-65	175.6	-178.5	162.5	-0.6	107.8
14	H	30.1	Very low	27.9	Very low	180 Å²	180	158.9 Å²	158.9	83%	0.833	81%	0.805	S	S	*	*			trans	-138.3	124.4	148	-94.9	-77.5	0	0	0	110
15	H	26.6	Very low	27.9	Very low	165 Å²	165	157.3 Å²	157.3	76%	0.764	81%	0.806	S	S	*	*			trans	-94.6	136.4	177.2	-145.3	-73.5	0	0	0	106.9
16	L	30.2	Very low	27.4	Very low	164 Å²	164	155 Å²	155	86%	0.859	79%	0.79	S	S	*	*			trans	-170.2	88.7	158.7	-105.6	134.5	0	0	0	106.1
17	D	26.8	Very low	27.1	Very low	134 Å²	134	155.5 Å²	155.5	72%	0.717	80%	0.798	S	S	*	*				79.2	135	90.3	-110.8	-8	0	0	0	114.8
18	E	28.3	Very low	26.8	Very low	175 Å²	175	153.9 Å²	153.9	82%	0.818	79%	0.789	S	S	*	*			trans	-53.8	149	-171.8	-62.1	174.1	141.4	0	0	114.2
19	S	27.9	Very low	26.8	Very low	104 Å²	104	157.3 Å²	157.3	73%	0.727	79%	0.791	S	S	*	*				159.1	142.9	106.9	49.9	0	0	0	0	113
20	D	26.5	Very low	26.9	Very low	140 Å²	140	154 Å²	154	75%	0.749	78%	0.782	S	S	*	*			trans	74.7	108.3	150.7	-69.5	-27.9	0	0	0	122.1
21	R	25.9	Very low	27	Very low	234 Å²	234	152.6 Å²	152.6	88%	0.883	78%	0.776	S	S	*	*				49.5	108.6	127.2	-76.9	175.8	154.6	171.6	-4.5	116.9
22	S	26.3	Very low	27.2	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	78%	0.778	S	S	*	*				-176	127.7	113.8	33.2	0	0	0	0	111.8	S24	S22-S24 PolarHBondContact O-N 3.47Å
23	T	23.7	Very low	27.3	Very low	148 Å²	148	145.8 Å²	145.8	91%	0.908	75%	0.751	S	S	*	*			trans	-51	114.6	164.6	39.9	0	0	0	0	110.9
24	S	26.9	Very low	27.6	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	74%	0.739	S	S	*	*			trans	-146.2	119.3	154.2	52.7	0	0	0	0	109	S22 S26	S22-S24 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact O-N 3.49Å
25	N	24.2	Very low	27.6	Very low	180 Å²	180	138.2 Å²	138.2	96%	0.963	73%	0.731	S	S	*	*			trans	-59.8	101.4	165.2	-75.1	-26.5	0	0	0	107.6
26	S	25.3	Very low	27.8	Very low	62 Å²	62	136.2 Å²	136.2	43%	0.434	73%	0.726	S	S	.	*			trans	-128.5	112.5	165	77.9	0	0	0	0	108.9	S24 S28	S24-S26 PolarHBondContact O-N 3.49Å; S26-S28 VanDerWaalsContact CB-OG 3.27Å; S26-S28 WeakPolarHBondContact CB-OG 3.42Å; S26-S28 PolarHBondContact O-N 3.09Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S26-S28 VanDerWaalsContact OG-OG 3.13Å
27	L	26.8	Very low	28	Very low	200 Å²	200	133.2 Å²	133.2	100%	1.047	71%	0.708	S	S	*	*	S	Bend	trans	-67.8	33.3	169	-87.9	153.4	0	0	0	111.7
28	S	25.5	Very low	28.4	Very low	77 Å²	77	132.2 Å²	132.2	54%	0.538	70%	0.697	S	S	.	*			trans	-129.6	73.5	-177	57.2	0	0	0	0	108.4	S26	S26-S28 VanDerWaalsContact CB-OG 3.27Å; S26-S28 WeakPolarHBondContact CB-OG 3.42Å; S26-S28 PolarHBondContact O-N 3.09Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S26-S28 VanDerWaalsContact OG-OG 3.13Å
29	R	28.9	Very low	28.4	Very low	232 Å²	232	127.8 Å²	127.8	88%	0.875	68%	0.682	S	S	*	*			trans	-129.1	79.4	164	-77.1	-169.5	178.6	174.2	0.5	109.2
30	D	27.4	Very low	28.7	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	68%	0.675	S	S	*	*			trans	40	104.8	132.6	-64.5	-27.4	0	0	0	117.1	T32	D30-T32 PolarHBondContact O-N 3.25Å
31	L	33.2	Very low	29	Very low	135 Å²	135	124.7 Å²	124.7	71%	0.707	65%	0.653	S	S	*	*			trans	-70.2	58.8	151	-141.8	89.3	0	0	0	109.3	F33 M138	L31-F33 HydrophobicContact CD2-CD2 3.81Å; L31-F33 HydrophobicContact CD2-CE2 3.43Å; L31-F33 VanDerWaalsContact CD2-CE2 3.43Å; L31-F33 HydrophobicContact CD2-CZ 4.49Å; L31-F33 HydrophobicContact CG-CD2 4.25Å; L31-F33 HydrophobicContact CG-CE2 4.2Å; L31-F33 PolarHBondContact O-N 3.48Å; L31-M138 HydrophobicContact CD2-CE 3.85Å
32	T	27.5	Very low	29.3	Very low	116 Å²	116	120.6 Å²	120.6	71%	0.712	65%	0.647	S	S	*	*			trans	-69.6	88.8	165.5	14.4	0	0	0	0	106.9	D30 N34	D30-T32 PolarHBondContact O-N 3.25Å; T32-N34 PolarHBondContact O-N 3.42Å
33	F	32.2	Very low	29.5	Very low	69 Å²	69	120.8 Å²	120.8	30%	0.303	64%	0.644	S	S	.	*			trans	-57.4	94.4	161.4	-95	-83.2	0	0	0	107.3	L31 I35 K38 I41 M138	L31-F33 HydrophobicContact CD2-CD2 3.81Å; L31-F33 HydrophobicContact CD2-CE2 3.43Å; L31-F33 VanDerWaalsContact CD2-CE2 3.43Å; L31-F33 HydrophobicContact CD2-CZ 4.49Å; L31-F33 HydrophobicContact CG-CD2 4.25Å; L31-F33 HydrophobicContact CG-CE2 4.2Å; L31-F33 PolarHBondContact O-N 3.48Å; F33-I35 PolarHBondContact O-N 3.38Å; F33-K38 HydrophobicContact CB-CD 4.34Å; F33-K38 HydrophobicContact CB-CG 4.12Å; F33-K38 HydrophobicContact CD1-CG 4.1Å; F33-K38 HydrophobicContact CG-CG 4.41Å; F33-I41 HydrophobicContact CD1-CD1 4.35Å; F33-I41 HydrophobicContact CE1-CD1 3.68Å; F33-M138 HydrophobicContact CE2-CE 4.18Å; F33-M138 HydrophobicContact CE2-SD 4.16Å; F33-M138 HydrophobicContact CZ-SD 4.41Å
34	N	30.2	Very low	30.1	Very low	101 Å²	101	115.4 Å²	115.4	54%	0.54	61%	0.609	S	S	.	*			trans	-52.1	126.8	172.5	-150.4	-16.8	0	0	0	107.2	T32 D36 Q37 K38	T32-N34 PolarHBondContact O-N 3.42Å; N34-D36 PolarHBondContact O-N 3.48Å; N34-Q37 HydrophobicContact CB-CG 4.34Å; N34-Q37 WeakPolarHBondContact O-CA 3.5Å; N34-Q37 WeakPolarHBondContact O-CB 3.47Å; N34-Q37 PolarHBondContact O-N 3.35Å; N34-K38 PolarHBondContact O-N 3.46Å
35	I	29.5	Very low	30.5	Very low	129 Å²	129	114.3 Å²	114.3	66%	0.662	60%	0.6	S	S	*	*	H	α-helix	trans	-55.9	-31	-168.5	-68.6	168.2	0	0	0	110.7	F33 Q37 K38 T39	F33-I35 PolarHBondContact O-N 3.38Å; I35-Q37 VanDerWaalsContact C-N 3.33Å; I35-Q37 PolarHBondContact O-N 3.44Å; I35-K38 WeakPolarHBondContact O-CB 3.4Å; I35-K38 PolarHBondContact O-N 3.29Å; I35-T39 PolarHBondContact O-N 3.41Å; I35-T39 PolarHBondContact O-OG1 3.37Å
36	D	29.5	Very low	31.2	Very low	122 Å²	122	112.9 Å²	112.9	65%	0.652	59%	0.59	S	S	*	*	H	α-helix	trans	-67.1	-25.7	175	-67.3	-22.1	0	0	0	114.6	N34 T39	N34-D36 PolarHBondContact O-N 3.48Å; D36-T39 PolarHBondContact O-OG1 3.36Å
37	Q	36.4	Very low	31.6	Very low	102 Å²	102	114 Å²	114	48%	0.477	60%	0.598	S	S	.	*	H	α-helix	trans	-80.3	-28.2	172.9	-66.1	-173.5	5.9	0	0	112	N34 I35 Q40 I41	N34-Q37 HydrophobicContact CB-CG 4.34Å; N34-Q37 WeakPolarHBondContact O-CA 3.5Å; N34-Q37 WeakPolarHBondContact O-CB 3.47Å; N34-Q37 PolarHBondContact O-N 3.35Å; I35-Q37 VanDerWaalsContact C-N 3.33Å; I35-Q37 PolarHBondContact O-N 3.44Å; Q37-Q40 PolarHBondContact O-N 3.45Å; Q37-I41 WeakPolarHBondContact O-CB 3.42Å; Q37-I41 WeakPolarHBondContact O-CD1 3.46Å; Q37-I41 VanDerWaalsContact O-CG1 3.26Å; Q37-I41 WeakPolarHBondContact O-CG1 3.46Å; Q37-I41 PolarHBondContact O-N 2.82Å; Q37-I41 VanDerWaalsContact O-N 3.09Å
38	K	35	Very low	32	Very low	112 Å²	112	108.5 Å²	108.5	49%	0.487	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-41.9	176	-81.1	-179.2	172.5	176.3	0	111.7	F33 N34 I35 I41 L42	F33-K38 HydrophobicContact CB-CD 4.34Å; F33-K38 HydrophobicContact CB-CG 4.12Å; F33-K38 HydrophobicContact CD1-CG 4.1Å; F33-K38 HydrophobicContact CG-CG 4.41Å; N34-K38 PolarHBondContact O-N 3.46Å; I35-K38 WeakPolarHBondContact O-CB 3.4Å; I35-K38 PolarHBondContact O-N 3.29Å; K38-I41 PolarHBondContact O-N 3.45Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.44Å; K38-L42 VanDerWaalsContact O-N 3.11Å
39	T	28	Very low	32.5	Very low	82 Å²	82	109 Å²	109	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-37.3	176.6	21.2	0	0	0	0	112.4	I35 D36 T43	I35-T39 PolarHBondContact O-N 3.41Å; I35-T39 PolarHBondContact O-OG1 3.37Å; D36-T39 PolarHBondContact O-OG1 3.36Å; T39-T43 PolarHBondContact O-N 3.45Å; T39-T43 PolarHBondContact O-OG1 2.84Å
40	Q	34.4	Very low	32.8	Very low	127 Å²	127	105.1 Å²	105.1	59%	0.593	55%	0.545	S	S	*	.	H	α-helix	trans	-68.4	-32.4	174.1	-113.2	-176.8	26.8	0	0	113.4	Q37 T43 M44	Q37-Q40 PolarHBondContact O-N 3.45Å; Q40-T43 PolarHBondContact O-OG1 3.02Å; Q40-M44 WeakPolarHBondContact O-CG 3.35Å; Q40-M44 PolarHBondContact O-N 3.47Å
41	I	33.2	Very low	33.3	Very low	53 Å²	53	107.3 Å²	107.3	27%	0.272	54%	0.544	S	S	.	.	H	α-helix	trans	-73.1	-38.2	178.4	-76.3	166.6	0	0	0	111.7	F33 Q37 K38 T43 M44 Y49	F33-I41 HydrophobicContact CD1-CD1 4.35Å; F33-I41 HydrophobicContact CE1-CD1 3.68Å; Q37-I41 WeakPolarHBondContact O-CB 3.42Å; Q37-I41 WeakPolarHBondContact O-CD1 3.46Å; Q37-I41 VanDerWaalsContact O-CG1 3.26Å; Q37-I41 WeakPolarHBondContact O-CG1 3.46Å; Q37-I41 PolarHBondContact O-N 2.82Å; Q37-I41 VanDerWaalsContact O-N 3.09Å; K38-I41 PolarHBondContact O-N 3.45Å; I41-T43 VanDerWaalsContact C-N 3.31Å; I41-T43 PolarHBondContact O-N 3.25Å; I41-M44 PolarHBondContact O-N 3.39Å; I41-Y49 HydrophobicContact CB-CD2 4.46Å; I41-Y49 HydrophobicContact CB-CE2 4.25Å; I41-Y49 HydrophobicContact CD1-CE2 4.36Å; I41-Y49 HydrophobicContact CG1-CD2 4.38Å; I41-Y49 HydrophobicContact CG1-CE2 4.1Å; I41-Y49 HydrophobicContact CG2-CD2 3.66Å; I41-Y49 HydrophobicContact CG2-CE2 3.27Å
42	L	31.2	Very low	33.7	Very low	148 Å²	148	105.9 Å²	105.9	78%	0.775	53%	0.532	S	S	*	.	H	α-helix	trans	-70.8	-24.5	179.3	-76.2	162.9	0	0	0	113.6	K38	K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.44Å; K38-L42 VanDerWaalsContact O-N 3.11Å
43	T	31.6	Very low	34.3	Very low	115 Å²	115	105.7 Å²	105.7	71%	0.706	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.2	-180	48.5	0	0	0	0	113.5	T39 Q40 I41	T39-T43 PolarHBondContact O-N 3.45Å; T39-T43 PolarHBondContact O-OG1 2.84Å; Q40-T43 PolarHBondContact O-OG1 3.02Å; I41-T43 VanDerWaalsContact C-N 3.31Å; I41-T43 PolarHBondContact O-N 3.25Å
44	M	36.1	Very low	34.7	Very low	34 Å²	34	106 Å²	106	17%	0.167	52%	0.524	C	S	.	.	S	Bend	trans	-76.2	137.6	179.2	-88.3	176.1	62.2	0	0	111.6	Q40 I41 I46 L48 K52	Q40-M44 WeakPolarHBondContact O-CG 3.35Å; Q40-M44 PolarHBondContact O-N 3.47Å; I41-M44 PolarHBondContact O-N 3.39Å; M44-I46 PolarHBondContact O-N 3.39Å; M44-L48 HydrophobicContact CE-CB 3.69Å; M44-L48 HydrophobicContact CE-CD2 4.14Å; M44-L48 VanDerWaalsContact CE-O 3.3Å; M44-L48 WeakPolarHBondContact CE-O 3.27Å; M44-K52 HydrophobicContact CE-CB 4.47Å; M44-K52 HydrophobicContact CE-CD 3.64Å; M44-K52 HydrophobicContact CE-CG 3.95Å; M44-K52 HydrophobicContact SD-CD 4.07Å
45	P	34	Very low	35.1	Very low	75 Å²	75	106.9 Å²	106.9	49%	0.487	53%	0.525	S	S	.	.			trans	-53.1	136	166.3	-23.7	32.7	0	0	0	110.3	S47 L48 Y49	P45-S47 PolarHBondContact O-N 3.39Å; P45-L48 HydrophobicContact CB-CB 4.41Å; P45-L48 HydrophobicContact CB-CD1 4.49Å; P45-L48 HydrophobicContact CG-CD1 4.08Å; P45-L48 WeakPolarHBondContact O-CA 3.46Å; P45-L48 WeakPolarHBondContact O-CB 3.36Å; P45-L48 PolarHBondContact O-N 3.5Å; P45-Y49 PolarHBondContact O-N 3.12Å; P45-Y49 VanDerWaalsContact O-N 3.08Å
46	I	38.7	Very low	35.6	Very low	149 Å²	149	108.4 Å²	108.4	76%	0.764	53%	0.526	S	S	*	.	H	α-helix	trans	-50.7	-36.2	-176.6	-67.7	166.1	0	0	0	112	M44 L48 Y49 R50	M44-I46 PolarHBondContact O-N 3.39Å; I46-L48 PolarHBondContact O-N 3.11Å; I46-Y49 PolarHBondContact O-N 3.29Å; I46-R50 VanDerWaalsContact O-CB 3.29Å; I46-R50 WeakPolarHBondContact O-CB 3.43Å; I46-R50 PolarHBondContact O-N 2.7Å
47	S	34	Very low	36	Very low	86 Å²	86	105.3 Å²	105.3	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-39.8	176.3	54.5	0	0	0	0	113.4	P45 R51	P45-S47 PolarHBondContact O-N 3.39Å; S47-R51 PolarHBondContact O-N 3.28Å; S47-R51 VanDerWaalsContact O-N 3.12Å
48	L	35.5	Very low	35.7	Very low	85 Å²	85	105.2 Å²	105.2	45%	0.445	51%	0.512	S	S	.	.	H	α-helix	trans	-74.6	-39.2	179.4	-110.3	151.6	0	0	0	111.2	M44 P45 I46 R51 K52	M44-L48 HydrophobicContact CE-CB 3.69Å; M44-L48 HydrophobicContact CE-CD2 4.14Å; M44-L48 VanDerWaalsContact CE-O 3.3Å; M44-L48 WeakPolarHBondContact CE-O 3.27Å; P45-L48 HydrophobicContact CB-CB 4.41Å; P45-L48 HydrophobicContact CB-CD1 4.49Å; P45-L48 HydrophobicContact CG-CD1 4.08Å; P45-L48 WeakPolarHBondContact O-CA 3.46Å; P45-L48 WeakPolarHBondContact O-CB 3.36Å; P45-L48 PolarHBondContact O-N 3.5Å; I46-L48 PolarHBondContact O-N 3.11Å; L48-R51 PolarHBondContact O-N 3.25Å; L48-K52 PolarHBondContact O-N 2.71Å
49	Y	36	Very low	35.6	Very low	88 Å²	88	104.9 Å²	104.9	35%	0.345	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-46.9	174.7	-180	-102.9	0	0	0	110.9	I41 P45 I46 R51 K52 Y53	I41-Y49 HydrophobicContact CB-CD2 4.46Å; I41-Y49 HydrophobicContact CB-CE2 4.25Å; I41-Y49 HydrophobicContact CD1-CE2 4.36Å; I41-Y49 HydrophobicContact CG1-CD2 4.38Å; I41-Y49 HydrophobicContact CG1-CE2 4.1Å; I41-Y49 HydrophobicContact CG2-CD2 3.66Å; I41-Y49 HydrophobicContact CG2-CE2 3.27Å; P45-Y49 PolarHBondContact O-N 3.12Å; P45-Y49 VanDerWaalsContact O-N 3.08Å; I46-Y49 PolarHBondContact O-N 3.29Å; Y49-R51 VanDerWaalsContact C-N 3.27Å; Y49-R51 PolarHBondContact O-N 2.8Å; Y49-K52 PolarHBondContact O-N 3.45Å; Y49-Y53 WeakPolarHBondContact O-CB 3.04Å; Y49-Y53 PolarHBondContact O-N 2.88Å
50	R	36.3	Very low	35.6	Very low	149 Å²	149	107.7 Å²	107.7	56%	0.562	51%	0.514	S	S	*	.	H	α-helix	trans	-56.8	-40.9	175.2	-166.5	175.3	-174.9	-174.5	1.4	111.6	I46 L54	I46-R50 VanDerWaalsContact O-CB 3.29Å; I46-R50 WeakPolarHBondContact O-CB 3.43Å; I46-R50 PolarHBondContact O-N 2.7Å; R50-L54 HydrophobicContact CG-CD1 4.09Å; R50-L54 WeakPolarHBondContact O-CB 3.38Å; R50-L54 WeakPolarHBondContact O-CD1 3.5Å; R50-L54 WeakPolarHBondContact O-CG 2.87Å; R50-L54 PolarHBondContact O-N 3.44Å
51	R	36.9	Very low	35.3	Very low	176 Å²	176	105 Å²	105	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-46.7	177.1	-162.1	177.6	-160.2	161.7	4.7	112.7	S47 L48 Y49 L54 Q55	S47-R51 PolarHBondContact O-N 3.28Å; S47-R51 VanDerWaalsContact O-N 3.12Å; L48-R51 PolarHBondContact O-N 3.25Å; Y49-R51 VanDerWaalsContact C-N 3.27Å; Y49-R51 PolarHBondContact O-N 2.8Å; R51-L54 PolarHBondContact O-N 2.89Å; R51-Q55 WeakPolarHBondContact O-CB 3.27Å; R51-Q55 VanDerWaalsContact O-CG 3.32Å; R51-Q55 WeakPolarHBondContact O-CG 3.44Å; R51-Q55 PolarHBondContact O-N 3.32Å
52	K	41.8	Very low	35.1	Very low	105 Å²	105	109.1 Å²	109.1	46%	0.457	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-39.7	177.5	-76.7	-163.6	-175	173.4	0	112.2	M44 L48 Y49 Q55 K56	M44-K52 HydrophobicContact CE-CB 4.47Å; M44-K52 HydrophobicContact CE-CD 3.64Å; M44-K52 HydrophobicContact CE-CG 3.95Å; M44-K52 HydrophobicContact SD-CD 4.07Å; L48-K52 PolarHBondContact O-N 2.71Å; Y49-K52 PolarHBondContact O-N 3.45Å; K52-Q55 PolarHBondContact O-N 3.25Å; K52-K56 PolarHBondContact O-N 2.73Å
53	Y	40	Very low	35	Very low	113 Å²	113	106.3 Å²	106.3	44%	0.443	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-47.8	177.2	-173.8	-103.3	0	0	0	111.4	Y49 Q55 K56 L57	Y49-Y53 WeakPolarHBondContact O-CB 3.04Å; Y49-Y53 PolarHBondContact O-N 2.88Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å; Y53-Q55 PolarHBondContact O-N 3.34Å; Y53-K56 PolarHBondContact O-N 3.12Å; Y53-L57 HydrophobicContact CD1-CD1 3.72Å; Y53-L57 HydrophobicContact CE1-CD1 3.13Å; Y53-L57 HydrophobicContact CE2-CD1 4.16Å; Y53-L57 HydrophobicContact CG-CD1 4.46Å; Y53-L57 PolarHBondContact O-N 3.23Å
54	L	40.1	Very low	34.8	Very low	76 Å²	76	104.7 Å²	104.7	40%	0.398	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-36.1	175.8	-72	169.9	0	0	0	112.8	R50 R51 N58	R50-L54 HydrophobicContact CG-CD1 4.09Å; R50-L54 WeakPolarHBondContact O-CB 3.38Å; R50-L54 WeakPolarHBondContact O-CD1 3.5Å; R50-L54 WeakPolarHBondContact O-CG 2.87Å; R50-L54 PolarHBondContact O-N 3.44Å; R51-L54 PolarHBondContact O-N 2.89Å; L54-N58 VanDerWaalsContact O-CB 3.25Å; L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 VanDerWaalsContact O-CG 3.24Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.33Å
55	Q	38.3	Very low	34.5	Very low	119 Å²	119	107.9 Å²	107.9	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-45.6	174.1	-79.1	174.3	-27.6	0	0	112	R51 K52 Y53 N58 Q59	R51-Q55 WeakPolarHBondContact O-CB 3.27Å; R51-Q55 VanDerWaalsContact O-CG 3.32Å; R51-Q55 WeakPolarHBondContact O-CG 3.44Å; R51-Q55 PolarHBondContact O-N 3.32Å; K52-Q55 PolarHBondContact O-N 3.25Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å; Y53-Q55 PolarHBondContact O-N 3.34Å; Q55-N58 PolarHBondContact O-N 3.44Å; Q55-Q59 PolarHBondContact O-N 2.99Å
56	K	41	Very low	34.2	Very low	160 Å²	160	110.4 Å²	110.4	70%	0.696	53%	0.527	S	S	*	.	H	α-helix	trans	-66.4	-39.6	177.6	-77.6	-171.5	172.6	-170.6	0	112.6	K52 Y53 Q59 W60	K52-K56 PolarHBondContact O-N 2.73Å; Y53-K56 PolarHBondContact O-N 3.12Å; K56-Q59 WeakPolarHBondContact O-CB 3.32Å; K56-Q59 PolarHBondContact O-N 3.08Å; K56-W60 PolarHBondContact O-N 2.87Å
57	L	36.5	Very low	33.8	Very low	57 Å²	57	109 Å²	109	30%	0.298	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-41.2	175.6	-111.5	147.7	0	0	0	112.5	Y53 Q59 W60 V61	Y53-L57 HydrophobicContact CD1-CD1 3.72Å; Y53-L57 HydrophobicContact CE1-CD1 3.13Å; Y53-L57 HydrophobicContact CE2-CD1 4.16Å; Y53-L57 HydrophobicContact CG-CD1 4.46Å; Y53-L57 PolarHBondContact O-N 3.23Å; L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.43Å; L57-W60 WeakPolarHBondContact O-CB 3.25Å; L57-W60 PolarHBondContact O-N 2.94Å; L57-W60 VanDerWaalsContact O-N 3.16Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3Å
58	N	31.4	Very low	33.4	Very low	100 Å²	100	111.1 Å²	111.1	54%	0.535	53%	0.53	S	S	.	.	H	α-helix	trans	-67.4	-29.3	174.9	-77.7	-27.4	0	0	0	112.6	L54 Q55 K62	L54-N58 VanDerWaalsContact O-CB 3.25Å; L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 VanDerWaalsContact O-CG 3.24Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.33Å; Q55-N58 PolarHBondContact O-N 3.44Å; N58-K62 WeakPolarHBondContact O-CG 3.32Å; N58-K62 PolarHBondContact O-N 3.25Å
59	Q	32.9	Very low	32.9	Very low	106 Å²	106	115.1 Å²	115.1	50%	0.495	55%	0.552	S	S	.	*	H	α-helix	trans	-67.3	-43.9	170	-164.3	62.3	46.8	0	0	110.3	Q55 K56 L57 V61 K62 D63	Q55-Q59 PolarHBondContact O-N 2.99Å; K56-Q59 WeakPolarHBondContact O-CB 3.32Å; K56-Q59 PolarHBondContact O-N 3.08Å; L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.43Å; Q59-V61 PolarHBondContact O-N 2.94Å; Q59-K62 PolarHBondContact O-N 3.13Å; Q59-K62 VanDerWaalsContact O-N 3.12Å; Q59-D63 PolarHBondContact NE2-OD1 3.34Å; Q59-D63 VanDerWaalsContact NE2-OD1 3.12Å; Q59-D63 PolarHBondContact O-N 3.29Å
60	W	27.4	Very low	32.4	Very low	141 Å²	141	115.8 Å²	115.8	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-38.8	178.8	-149.2	68.4	0	0	0	113.6	K56 L57 K62 D63 T64	K56-W60 PolarHBondContact O-N 2.87Å; L57-W60 WeakPolarHBondContact O-CB 3.25Å; L57-W60 PolarHBondContact O-N 2.94Å; L57-W60 VanDerWaalsContact O-N 3.16Å; W60-K62 VanDerWaalsContact C-N 3.34Å; W60-D63 PolarHBondContact O-N 3.37Å; W60-T64 WeakPolarHBondContact O-CB 3.42Å; W60-T64 WeakPolarHBondContact O-CG2 3.46Å; W60-T64 PolarHBondContact O-N 3.05Å; W60-T64 VanDerWaalsContact O-N 3.08Å; W60-T64 PolarHBondContact O-OG1 2.99Å
61	V	29	Very low	32	Very low	69 Å²	69	115.2 Å²	115.2	42%	0.418	58%	0.578	S	S	.	*	H	α-helix	trans	-68.7	-32	174.6	174.2	0	0	0	0	111.8	L57 Q59 T64 T65	L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3Å; Q59-V61 PolarHBondContact O-N 2.94Å; V61-T64 WeakPolarHBondContact CA-OG1 3.18Å; V61-T64 PolarHBondContact O-OG1 3.19Å; V61-T65 WeakPolarHBondContact O-CG2 3.35Å; V61-T65 PolarHBondContact O-N 3.08Å; V61-T65 PolarHBondContact O-OG1 2.72Å
62	K	29.1	Very low	31.5	Very low	140 Å²	140	113.8 Å²	113.8	61%	0.609	58%	0.584	S	S	*	*	H	α-helix	trans	-73.6	-37.5	173.7	-76.8	-178.6	177.5	-171.9	0	112.5	N58 Q59 W60 T64 T65 I66	N58-K62 WeakPolarHBondContact O-CG 3.32Å; N58-K62 PolarHBondContact O-N 3.25Å; Q59-K62 PolarHBondContact O-N 3.13Å; Q59-K62 VanDerWaalsContact O-N 3.12Å; W60-K62 VanDerWaalsContact C-N 3.34Å; K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 3.02Å; K62-T65 PolarHBondContact O-OG1 2.94Å; K62-I66 WeakPolarHBondContact O-CG1 3.45Å
63	D	27.8	Very low	30.8	Very low	90 Å²	90	117.9 Å²	117.9	48%	0.481	60%	0.602	S	S	.	*	H	α-helix	trans	-74.6	-23.8	-179.8	-60.1	-17.3	0	0	0	111.9	Q59 W60	Q59-D63 PolarHBondContact NE2-OD1 3.34Å; Q59-D63 VanDerWaalsContact NE2-OD1 3.12Å; Q59-D63 PolarHBondContact O-N 3.29Å; W60-D63 PolarHBondContact O-N 3.37Å
64	T	28.2	Very low	30.3	Very low	80 Å²	80	119.4 Å²	119.4	49%	0.491	62%	0.617	S	S	.	*	S	Bend	trans	-92	-9	178	49.2	0	0	0	0	114.7	W60 V61 K62	W60-T64 WeakPolarHBondContact O-CB 3.42Å; W60-T64 WeakPolarHBondContact O-CG2 3.46Å; W60-T64 PolarHBondContact O-N 3.05Å; W60-T64 VanDerWaalsContact O-N 3.08Å; W60-T64 PolarHBondContact O-OG1 2.99Å; V61-T64 WeakPolarHBondContact CA-OG1 3.18Å; V61-T64 PolarHBondContact O-OG1 3.19Å; K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 3.02Å
65	T	29.8	Very low	29.8	Very low	102 Å²	102	121.1 Å²	121.1	63%	0.626	63%	0.632	S	S	*	*	S	Bend	trans	-99.1	0.9	176.4	41.8	0	0	0	0	113.5	V61 K62 V67	V61-T65 WeakPolarHBondContact O-CG2 3.35Å; V61-T65 PolarHBondContact O-N 3.08Å; V61-T65 PolarHBondContact O-OG1 2.72Å; K62-T65 PolarHBondContact O-OG1 2.94Å; T65-V67 PolarHBondContact O-N 3.46Å; T65-V67 VanDerWaalsContact O-N 3.11Å
66	I	28.1	Very low	29.2	Very low	128 Å²	128	122.5 Å²	122.5	66%	0.656	64%	0.642	S	S	*	*			trans	-84.5	76.1	166.9	-54.3	169.1	0	0	0	106.9	K62	K62-I66 WeakPolarHBondContact O-CG1 3.45Å
67	V	28.6	Very low	28.6	Very low	120 Å²	120	122.1 Å²	122.1	73%	0.727	65%	0.648	S	S	*	*			trans	-87.5	122.3	160	177.5	0	0	0	0	106.3	T65 N69	T65-V67 PolarHBondContact O-N 3.46Å; T65-V67 VanDerWaalsContact O-N 3.11Å; V67-N69 PolarHBondContact O-N 3.18Å; V67-N69 VanDerWaalsContact O-N 3.09Å
68	D	26	Very low	28.3	Very low	130 Å²	130	127 Å²	127	70%	0.695	67%	0.673	S	S	*	*			trans	-49.1	107	-178.8	-77.4	-42.9	0	0	0	112.3	T70	D68-T70 PolarHBondContact O-N 2.88Å
69	N	25.7	Very low	28.1	Very low	168 Å²	168	129.5 Å²	129.5	90%	0.898	69%	0.686	S	S	*	*			trans	-77.9	70.2	160.4	-85.9	-16.3	0	0	0	108.5	V67	V67-N69 PolarHBondContact O-N 3.18Å; V67-N69 VanDerWaalsContact O-N 3.09Å
70	T	25.1	Very low	27.9	Very low	102 Å²	102	132 Å²	132	63%	0.626	70%	0.703	S	S	*	*			trans	-127.7	86.4	170.3	46.8	0	0	0	0	109.5	D68	D68-T70 PolarHBondContact O-N 2.88Å
71	T	28.2	Very low	27.9	Very low	137 Å²	137	130.1 Å²	130.1	84%	0.84	72%	0.718	S	S	*	*			trans	-163.8	86.2	153.6	2.6	0	0	0	0	106.1
72	D	26.6	Very low	27.9	Very low	146 Å²	146	136.2 Å²	136.2	78%	0.781	74%	0.742	S	S	*	*				45.6	99.3	95.8	-83.9	-27.3	0	0	0	113.4	N74	D72-N74 PolarHBondContact O-N 3.19Å
73	K	26.4	Very low	27.8	Very low	191 Å²	191	138.5 Å²	138.5	83%	0.83	76%	0.755	S	S	*	*			trans	19.1	101.2	137	-64.8	175.9	178.9	175	0	115.6
74	N	30	Very low	27.7	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	77%	0.772	S	S	*	*			trans	-162	105.8	134.5	-100.3	-15.3	0	0	0	107.7	D72	D72-N74 PolarHBondContact O-N 3.19Å
75	T	29.7	Very low	27.5	Very low	113 Å²	113	144 Å²	144	69%	0.693	79%	0.788	S	S	*	*				69.2	99.9	117.1	51.5	0	0	0	0	112.2
76	N	26.6	Very low	27.2	Very low	147 Å²	147	148 Å²	148	79%	0.786	80%	0.8	S	S	*	*				51.1	121.5	89.1	-80.5	-4.1	0	0	0	111.7
77	D	27.9	Very low	26.9	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	80%	0.801	S	S	*	*			trans	119.1	96	176.3	-63.8	-14	0	0	0	107.6
78	I	29.9	Very low	26.7	Very low	159 Å²	159	145.4 Å²	145.4	82%	0.815	79%	0.794	S	S	*	*			cis	-158.5	118.3	49.7	-79.4	140.5	0	0	0	108
79	N	26.9	Very low	26.7	Very low	153 Å²	153	146.8 Å²	146.8	82%	0.818	81%	0.808	S	S	*	*			trans	-71.8	131.6	153.8	-79.9	-31.1	0	0	0	107.8
80	N	28.4	Very low	26.7	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	80%	0.796	S	S	*	*			trans	171	105.7	134.6	-88.6	-14.6	0	0	0	109.7
81	A	28.3	Very low	26.5	Very low	102 Å²	102	146.8 Å²	146.8	84%	0.843	80%	0.798	S	S	*	*				154.6	99	126.1	0	0	0	0	0	108.1	E83	A81-E83 PolarHBondContact O-N 3.11Å
82	E	28.6	Very low	26.4	Very low	197 Å²	197	146.1 Å²	146.1	92%	0.921	79%	0.789	S	S	*	*			trans	-57.9	126	160.7	-64.9	171	137.9	0	0	109.3
83	E	26.7	Very low	26.2	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	79%	0.787	S	S	*	*			trans	-156.5	105.1	137.7	-118.8	-178.8	-177.2	0	0	109.1	A81 S85	A81-E83 PolarHBondContact O-N 3.11Å; E83-S85 PolarHBondContact O-N 2.98Å
84	I	25.2	Very low	26.2	Very low	167 Å²	167	145.3 Å²	145.3	86%	0.856	78%	0.783	S	S	*	*			trans	-77.7	112.3	169	-63.5	166.6	0	0	0	106.2
85	S	24.9	Very low	25.8	Very low	117 Å²	117	148.4 Å²	148.4	82%	0.818	79%	0.785	S	S	*	*			trans	-145.8	131.4	159.4	-135.8	0	0	0	0	111.7	E83	E83-S85 PolarHBondContact O-N 2.98Å
86	Q	23.2	Very low	25.8	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.874	79%	0.791	S	S	*	*			trans	-73.3	116.6	-175.5	-62.1	165.2	-15.4	0	0	109.7
87	S	22.2	Very low	25.7	Very low	98 Å²	98	151.8 Å²	151.8	69%	0.685	79%	0.788	S	S	*	*			trans	-168.1	122.5	153.5	-156.6	0	0	0	0	111.1
88	T	24.8	Very low	25.8	Very low	95 Å²	95	151.9 Å²	151.9	58%	0.583	78%	0.783	S	S	*	*			trans	48	127.9	135.9	59.4	0	0	0	0	119.3	H90	T88-H90 PolarHBondContact O-N 2.89Å; T88-H90 WeakPolarHBondContact OG1-CB 3.38Å
89	T	25.3	Very low	25.7	Very low	159 Å²	159	152.3 Å²	152.3	98%	0.975	78%	0.781	S	S	*	*			trans	-61.3	75.3	139.2	28.3	0	0	0	0	108.2
90	H	25.3	Very low	25.8	Very low	140 Å²	140	153.3 Å²	153.3	65%	0.648	78%	0.781	S	S	*	*			trans	-79.5	131.1	165.8	-150.2	-76.1	0	0	0	106.2	T88 D92	T88-H90 PolarHBondContact O-N 2.89Å; T88-H90 WeakPolarHBondContact OG1-CB 3.38Å; H90-D92 PolarHBondContact O-N 3.01Å
91	I	22.7	Very low	25.7	Very low	130 Å²	130	153.5 Å²	153.5	67%	0.667	78%	0.777	S	S	*	*			trans	-55.5	103.6	158.3	-66	159.8	0	0	0	105.6	H93	I91-H93 PolarHBondContact O-N 3.25Å
92	D	24.1	Very low	25.6	Very low	123 Å²	123	155.7 Å²	155.7	66%	0.658	77%	0.77	S	S	*	*			trans	-88	103	175.3	-148.3	-16.8	0	0	0	109.1	H90 H94	H90-D92 PolarHBondContact O-N 3.01Å; D92-H94 VanDerWaalsContact C-N 3.25Å; D92-H94 VanDerWaalsContact CG-ND1 3.3Å; D92-H94 PolarHBondContact O-N 3.47Å; D92-H94 IonicContact OD1-CE1 3.25Å; D92-H94 PolarHBondContact OD1-CE1 3.16Å; D92-H94 VanDerWaalsContact OD1-CE1 3.25Å; D92-H94 IonicContact OD1-ND1 2.8Å; D92-H94 PolarHBondContact OD1-ND1 2.94Å; D92-H94 IonicContact OD2-CE1 3.63Å; D92-H94 IonicContact OD2-ND1 3.58Å
93	H	24.1	Very low	25.7	Very low	159 Å²	159	156.1 Å²	156.1	74%	0.736	77%	0.772	S	S	*	*			trans	-74.4	78	169.5	-79.6	-72.9	0	0	0	109	I91 Y95	I91-H93 PolarHBondContact O-N 3.25Å; H93-Y95 PolarHBondContact O-N 2.85Å
94	H	26.7	Very low	25.6	Very low	161 Å²	161	154.9 Å²	154.9	75%	0.745	77%	0.766	S	S	*	*			trans	-91.5	80.8	164.2	-86.1	56.5	0	0	0	110.1	D92 H96	D92-H94 VanDerWaalsContact C-N 3.25Å; D92-H94 VanDerWaalsContact CG-ND1 3.3Å; D92-H94 PolarHBondContact O-N 3.47Å; D92-H94 IonicContact OD1-CE1 3.25Å; D92-H94 PolarHBondContact OD1-CE1 3.16Å; D92-H94 VanDerWaalsContact OD1-CE1 3.25Å; D92-H94 IonicContact OD1-ND1 2.8Å; D92-H94 PolarHBondContact OD1-ND1 2.94Å; D92-H94 IonicContact OD2-CE1 3.63Å; D92-H94 IonicContact OD2-ND1 3.58Å; H94-H96 PolarHBondContact O-N 3.21Å
95	Y	21.4	Very low	25.7	Very low	210 Å²	210	155.5 Å²	155.5	82%	0.824	77%	0.77	S	S	*	*			trans	-69.2	101.3	152.7	-123.1	-90.5	0	0	0	106.8	H93	H93-Y95 PolarHBondContact O-N 2.85Å
96	H	28.3	Very low	25.7	Very low	178 Å²	178	156 Å²	156	82%	0.824	76%	0.763	S	S	*	*			trans	-153.6	97.7	154.4	-113.4	45	0	0	0	110.8	H94	H94-H96 PolarHBondContact O-N 3.21Å
97	H	25.9	Very low	26	Very low	153 Å²	153	151.3 Å²	151.3	71%	0.708	75%	0.749	S	S	*	*			trans	27.8	135.7	132.4	-104.1	-84.7	0	0	0	120.1
98	H	29	Very low	26	Very low	155 Å²	155	154.6 Å²	154.6	72%	0.718	75%	0.754	S	S	*	*			trans	97.6	91.3	161.1	-71.2	-76	0	0	0	118.2
99	H	27.2	Very low	26	Very low	168 Å²	168	156.8 Å²	156.8	78%	0.778	77%	0.767	S	S	*	*				34.3	115.3	115.4	-81.4	-61.8	0	0	0	117.8
100	Q	29	Very low	25.8	Very low	175 Å²	175	154 Å²	154	82%	0.818	75%	0.75	S	S	*	*			trans	142.7	97.3	134	-79.3	176.7	22.7	0	0	108.2
101	Q	26.5	Very low	25.7	Very low	161 Å²	161	154.3 Å²	154.3	75%	0.752	76%	0.757	S	S	*	*				77.9	112.4	93.7	-91.8	-172.7	7.3	0	0	114.1
102	Q	26.2	Very low	25.7	Very low	149 Å²	149	153.9 Å²	153.9	70%	0.696	76%	0.756	S	S	*	*			trans	69.8	103.4	136.8	-67.8	176.8	-4	0	0	118.9
103	Q	30.6	Very low	25.8	Very low	206 Å²	206	156 Å²	156	96%	0.963	76%	0.759	S	S	*	*				-150.4	110.9	115.8	-104	166.7	65.7	0	0	108.8
104	Q	24.9	Very low	25.8	Very low	161 Å²	161	155.5 Å²	155.5	75%	0.752	76%	0.76	S	S	*	*			trans	-101.5	114.5	-168.3	-173.6	174.5	-1.9	0	0	108.5
105	L	28.5	Very low	25.6	Very low	180 Å²	180	150.5 Å²	150.5	94%	0.942	75%	0.752	S	S	*	*			trans	-104.5	99	165.7	-87.2	155.4	0	0	0	107.3
106	D	24.5	Very low	25.8	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	73%	0.734	S	S	*	*			trans	-70.7	174.2	163.5	-114	-7.9	0	0	0	110.1
107	P	28.3	Very low	25.7	Very low	90 Å²	90	143.7 Å²	143.7	58%	0.584	74%	0.735	S	S	*	*			cis	-139.5	-173.3	-28.3	33.2	-12.5	0	0	0	111.3
108	E	22.9	Very low	25.8	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	73%	0.729	S	S	*	*			trans	65.5	77.6	154.1	-68.4	175.4	173.7	0	0	120.1
109	T	24.2	Very low	26	Very low	141 Å²	141	142.2 Å²	142.2	87%	0.865	74%	0.737	S	S	*	*			trans	-132.3	62.9	136.8	36	0	0	0	0	109.7	N111	T109-N111 PolarHBondContact O-N 3.43Å
110	T	22.3	Very low	26.4	Very low	101 Å²	101	139.4 Å²	139.4	62%	0.62	73%	0.725	S	S	*	*			trans	-60	103.6	161.7	-27	0	0	0	0	106.8	N112	T110-N112 VanDerWaalsContact CG2-OD1 3.28Å; T110-N112 WeakPolarHBondContact CG2-OD1 3.3Å; T110-N112 PolarHBondContact O-N 2.95Å
111	N	23.3	Very low	26.8	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	71%	0.712	S	S	*	*			trans	-65.9	77.1	164	-89.9	-28.1	0	0	0	107.8	T109 F113	T109-N111 PolarHBondContact O-N 3.43Å; N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.41Å
112	N	21.2	Very low	27.5	Very low	121 Å²	121	132 Å²	132	65%	0.647	70%	0.696	S	S	*	*			trans	-66.8	89.2	171.1	-78.9	-22.9	0	0	0	107.2	T110 I114	T110-N112 VanDerWaalsContact CG2-OD1 3.28Å; T110-N112 WeakPolarHBondContact CG2-OD1 3.3Å; T110-N112 PolarHBondContact O-N 2.95Å; N112-I114 PolarHBondContact O-N 2.94Å
113	F	25.8	Very low	28.3	Very low	166 Å²	166	127.2 Å²	127.2	73%	0.728	67%	0.672	S	S	*	*			trans	-64.8	90.3	159.5	-84.7	-87.3	0	0	0	107.3	N111 G115	N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.41Å; F113-G115 PolarHBondContact O-N 3.26Å
114	I	24.3	Very low	28.8	Very low	149 Å²	149	121.4 Å²	121.4	76%	0.764	64%	0.642	S	S	*	*			trans	-58.1	105.8	167.3	-63.1	172.4	0	0	0	106.2	N112 S116	N112-I114 PolarHBondContact O-N 2.94Å; I114-S116 PolarHBondContact O-N 3.05Å
115	G	23.8	Very low	29.7	Very low	56 Å²	56	116.1 Å²	116.1	58%	0.577	62%	0.618	S	S	*	*			trans	-66.1	80.9	174.3	0	0	0	0	0	109.8	F113 H117	F113-G115 PolarHBondContact O-N 3.26Å; G115-H117 PolarHBondContact O-N 2.85Å
116	S	24.8	Very low	30.3	Very low	61 Å²	61	110.3 Å²	110.3	43%	0.427	59%	0.588	S	S	.	*			trans	-62.2	117.5	163.6	169.9	0	0	0	0	107.8	I114 N118	I114-S116 PolarHBondContact O-N 3.05Å; S116-N118 PolarHBondContact O-N 3.48Å
117	H	26.1	Very low	31	Very low	185 Å²	185	107 Å²	107	86%	0.856	57%	0.567	S	S	*	*			trans	-63.9	37.6	178.7	-77	-81.9	0	0	0	114.2	G115 N119	G115-H117 PolarHBondContact O-N 2.85Å; H117-N119 PolarHBondContact O-N 2.83Å
118	N	29.1	Very low	31.2	Very low	109 Å²	109	110.2 Å²	110.2	58%	0.583	58%	0.58	S	S	*	*			trans	-89.9	108.3	175	-76.9	-9.9	0	0	0	109.2	S116 H120	S116-N118 PolarHBondContact O-N 3.48Å; N118-H120 PolarHBondContact O-N 3.49Å
119	N	32.9	Very low	31.7	Very low	167 Å²	167	106.4 Å²	106.4	89%	0.893	57%	0.565	S	S	*	*			trans	-60.7	23.5	-179.8	-84.6	-23.6	0	0	0	115.7	H117	H117-N119 PolarHBondContact O-N 2.83Å
120	H	36.1	Very low	32.1	Very low	110 Å²	110	107.5 Å²	107.5	51%	0.509	56%	0.56	S	S	.	*	S	Bend	trans	-94.2	132.9	178	-64.8	-69.9	0	0	0	110.4	N118 K122 N140	N118-H120 PolarHBondContact O-N 3.49Å; H120-K122 PolarHBondContact O-N 2.99Å; H120-K122 VanDerWaalsContact O-N 3.1Å; H120-N140 PolarHBondContact CE1-OD1 2.76Å; H120-N140 PolarHBondContact ND1-OD1 2.83Å
121	P	36.7	Very low	32.5	Very low	86 Å²	86	108 Å²	108	56%	0.558	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.2	173.4	22.5	-30.6	0	0	0	109.4	Y123	P121-Y123 HydrophobicContact CB-CE2 4.15Å; P121-Y123 HydrophobicContact CG-CE2 4.22Å
122	K	40.8	Very low	33	Very low	94 Å²	94	106.6 Å²	106.6	41%	0.409	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-86.8	123.5	174.3	-65.4	177.9	-179.1	178	0	108.1	H120 Y124 M134	H120-K122 PolarHBondContact O-N 2.99Å; H120-K122 VanDerWaalsContact O-N 3.1Å; K122-Y124 HydrophobicContact CB-CE2 3.94Å; K122-M134 HydrophobicContact CB-CG 4.39Å; K122-M134 HydrophobicContact CB-SD 4.32Å; K122-M134 HydrophobicContact CD-SD 3.74Å; K122-M134 HydrophobicContact CG-SD 3.93Å
123	Y	43.2	Very low	33.8	Very low	48 Å²	48	104 Å²	104	19%	0.188	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.2	171.4	-59.7	-84.9	0	0	0	108.2	P121 M134 I135 F145	P121-Y123 HydrophobicContact CB-CE2 4.15Å; P121-Y123 HydrophobicContact CG-CE2 4.22Å; Y123-M134 CarbonylContact O-C 3.49Å; Y123-M134 WeakPolarHBondContact O-CA 3.26Å; Y123-I135 PolarHBondContact N-O 3.47Å; Y123-I135 PolarHBondContact O-N 3.26Å; Y123-F145 HydrophobicContact CD1-CB 3.94Å; Y123-F145 AromaticContact CD1-CD1 3.76Å; Y123-F145 HydrophobicContact CD1-CD1 3.76Å; Y123-F145 AromaticContact CD1-CD2 3.68Å; Y123-F145 HydrophobicContact CD1-CD2 3.68Å; Y123-F145 HydrophobicContact CD1-CE1 4.15Å; Y123-F145 HydrophobicContact CD1-CE2 4.07Å; Y123-F145 AromaticContact CD1-CG 3.5Å; Y123-F145 HydrophobicContact CD1-CG 3.5Å; Y123-F145 VanDerWaalsContact CD1-CG 3.5Å; Y123-F145 HydrophobicContact CD1-CZ 4.29Å; Y123-F145 AromaticContact CD2-CD2 3.63Å; Y123-F145 HydrophobicContact CD2-CD2 3.63Å; Y123-F145 AromaticContact CD2-CE2 3.58Å; Y123-F145 HydrophobicContact CD2-CE2 3.58Å; Y123-F145 HydrophobicContact CD2-CG 4.33Å; Y123-F145 HydrophobicContact CD2-CZ 4.25Å; Y123-F145 HydrophobicContact CE1-CB 3.56Å; Y123-F145 HydrophobicContact CE1-CD1 4.28Å; Y123-F145 AromaticContact CE1-CD2 3.79Å; Y123-F145 HydrophobicContact CE1-CD2 3.79Å; Y123-F145 AromaticContact CE1-CG 3.61Å; Y123-F145 HydrophobicContact CE1-CG 3.61Å; Y123-F145 AromaticContact CE2-CD2 3.75Å; Y123-F145 HydrophobicContact CE2-CD2 3.75Å; Y123-F145 HydrophobicContact CE2-CE2 4.14Å; Y123-F145 HydrophobicContact CE2-CG 4.43Å; Y123-F145 HydrophobicContact CG-CD1 4.12Å; Y123-F145 AromaticContact CG-CD2 3.59Å; Y123-F145 HydrophobicContact CG-CD2 3.59Å; Y123-F145 HydrophobicContact CG-CE1 4.07Å; Y123-F145 AromaticContact CG-CE2 3.54Å; Y123-F145 HydrophobicContact CG-CE2 3.54Å; Y123-F145 AromaticContact CG-CG 3.88Å; Y123-F145 HydrophobicContact CG-CG 3.88Å; Y123-F145 AromaticContact CG-CZ 3.79Å; Y123-F145 HydrophobicContact CG-CZ 3.79Å; Y123-F145 AromaticContact CZ-CD2 3.82Å
124	Y	42.1	Very low	34.5	Very low	84 Å²	84	99.8 Å²	99.8	33%	0.329	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.5	177.1	-63.1	-90.9	0	0	0	109.8	K122 L132 E133 M134	K122-Y124 HydrophobicContact CB-CE2 3.94Å; Y124-L132 HydrophobicContact CD1-CB 4.37Å; Y124-E133 CarbonylContact C-O 3.42Å; Y124-E133 VanDerWaalsContact CA-O 3.3Å; Y124-E133 WeakPolarHBondContact CA-O 3.42Å; Y124-M134 HydrophobicContact CD1-CB 4.02Å; Y124-M134 HydrophobicContact CE1-CB 3.86Å; Y124-M134 HydrophobicContact CE1-CG 4.18Å
125	L	43.3	Very low	35.5	Very low	51 Å²	51	95 Å²	95	27%	0.267	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.9	169.8	-172.2	66.6	0	0	0	108.2	K127 L132 E133 I135	L125-K127 PolarHBondContact O-N 3.12Å; L125-L132 CarbonylContact O-C 3.59Å; L125-L132 WeakPolarHBondContact O-CA 3.32Å; L125-E133 HydrophobicContact CB-CB 4.42Å; L125-E133 PolarHBondContact N-O 2.8Å; L125-E133 PolarHBondContact O-N 3Å; L125-I135 HydrophobicContact CB-CD1 3.74Å; L125-I135 HydrophobicContact CB-CG1 4.01Å; L125-I135 HydrophobicContact CD1-CD1 4.36Å; L125-I135 HydrophobicContact CG-CD1 4.47Å
126	L	40.5	Very low	36.2	Very low	57 Å²	57	99.2 Å²	99.2	30%	0.298	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.4	166.9	-172	68	0	0	0	108.7	L132 H222	L126-L132 HydrophobicContact CB-CD2 4.3Å; L126-L132 HydrophobicContact CD1-CD2 3.83Å; L126-L132 HydrophobicContact CD1-CG 4.23Å; L126-H222 WeakPolarHBondContact CD2-CD2 3.42Å; L126-H222 VanDerWaalsContact CD2-NE2 3.32Å; L126-H222 WeakPolarHBondContact CD2-NE2 3.37Å
127	K	39.6	Very low	36.7	Very low	58 Å²	58	98.1 Å²	98.1	25%	0.252	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-78.2	157.7	171.8	-69.1	-179.4	174.1	172.2	0	110.2	L125 N129 H130 Q131 E133	L125-K127 PolarHBondContact O-N 3.12Å; K127-N129 WeakPolarHBondContact CB-OD1 3.3Å; K127-N129 PolarHBondContact O-N 2.72Å; K127-H130 PolarHBondContact O-N 3.01Å; K127-Q131 HydrophobicContact CB-CB 4.34Å; K127-Q131 WeakPolarHBondContact CB-O 3.24Å; K127-Q131 HydrophobicContact CD-CB 4.29Å; K127-Q131 PolarHBondContact N-O 2.89Å; K127-E133 HydrophobicContact CD-CB 4.46Å; K127-E133 WeakPolarHBondContact CE-OE1 3.28Å; K127-E133 WeakPolarHBondContact CE-OE2 3.39Å; K127-E133 IonicContact NZ-OE1 2.85Å; K127-E133 PolarHBondContact NZ-OE1 3.33Å; K127-E133 IonicContact NZ-OE2 3.25Å; K127-E133 PolarHBondContact NZ-OE2 3.31Å
128	N	33.3	Very low	37.1	Very low	158 Å²	158	95.4 Å²	95.4	85%	0.845	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.6	178.1	-73.3	-5.8	0	0	0	113.9
129	N	33.3	Very low	37.2	Very low	87 Å²	87	97 Å²	97	47%	0.465	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	20.2	177	65.3	-9.2	0	0	0	113.2	K127 Q131	K127-N129 WeakPolarHBondContact CB-OD1 3.3Å; K127-N129 PolarHBondContact O-N 2.72Å; N129-Q131 PolarHBondContact ND2-OE1 2.9Å; N129-Q131 PolarHBondContact O-N 3.24Å; N129-Q131 VanDerWaalsContact O-N 3.11Å; N129-Q131 VanDerWaalsContact OD1-CB 3.27Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.29Å; N129-Q131 WeakPolarHBondContact OD1-CG 3.43Å; N129-Q131 PolarHBondContact OD1-N 3.27Å
130	H	32.5	Very low	37.1	Very low	163 Å²	163	94.7 Å²	94.7	76%	0.755	47%	0.472	S	S	*	.	S	Bend	trans	61.7	12.4	-176.2	-53	-69.3	0	0	0	115.4	K127	K127-H130 PolarHBondContact O-N 3.01Å
131	Q	30.6	Very low	36.8	Very low	112 Å²	112	91.9 Å²	91.9	52%	0.523	47%	0.465	S	S	.	.			trans	-80.9	132.8	171.8	-66.1	178.6	-18.3	0	0	110.5	K127 N129	K127-Q131 HydrophobicContact CB-CB 4.34Å; K127-Q131 WeakPolarHBondContact CB-O 3.24Å; K127-Q131 HydrophobicContact CD-CB 4.29Å; K127-Q131 PolarHBondContact N-O 2.89Å; N129-Q131 PolarHBondContact ND2-OE1 2.9Å; N129-Q131 PolarHBondContact O-N 3.24Å; N129-Q131 VanDerWaalsContact O-N 3.11Å; N129-Q131 VanDerWaalsContact OD1-CB 3.27Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.29Å; N129-Q131 WeakPolarHBondContact OD1-CG 3.43Å; N129-Q131 PolarHBondContact OD1-N 3.27Å
132	L	34.2	Very low	36.5	Very low	117 Å²	117	90.2 Å²	90.2	61%	0.613	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	121.8	170.4	-71	167.5	0	0	0	109.3	Y124 L125 L126	Y124-L132 HydrophobicContact CD1-CB 4.37Å; L125-L132 CarbonylContact O-C 3.59Å; L125-L132 WeakPolarHBondContact O-CA 3.32Å; L126-L132 HydrophobicContact CB-CD2 4.3Å; L126-L132 HydrophobicContact CD1-CD2 3.83Å; L126-L132 HydrophobicContact CD1-CG 4.23Å
133	E	36.4	Very low	36	Very low	67 Å²	67	92.7 Å²	92.7	31%	0.313	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122	173.3	178.3	169.7	-119.3	0	0	109.8	Y124 L125 K127 I135	Y124-E133 CarbonylContact C-O 3.42Å; Y124-E133 VanDerWaalsContact CA-O 3.3Å; Y124-E133 WeakPolarHBondContact CA-O 3.42Å; L125-E133 HydrophobicContact CB-CB 4.42Å; L125-E133 PolarHBondContact N-O 2.8Å; L125-E133 PolarHBondContact O-N 3Å; K127-E133 HydrophobicContact CD-CB 4.46Å; K127-E133 WeakPolarHBondContact CE-OE1 3.28Å; K127-E133 WeakPolarHBondContact CE-OE2 3.39Å; K127-E133 IonicContact NZ-OE1 2.85Å; K127-E133 PolarHBondContact NZ-OE1 3.33Å; K127-E133 IonicContact NZ-OE2 3.25Å; K127-E133 PolarHBondContact NZ-OE2 3.31Å; E133-I135 PolarHBondContact O-N 3.19Å
134	M	41.5	Very low	35.6	Very low	77 Å²	77	96 Å²	96	38%	0.379	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.6	176.8	-176.7	-179.3	57.4	0	0	110	K122 Y123 Y124 Q136	K122-M134 HydrophobicContact CB-CG 4.39Å; K122-M134 HydrophobicContact CB-SD 4.32Å; K122-M134 HydrophobicContact CD-SD 3.74Å; K122-M134 HydrophobicContact CG-SD 3.93Å; Y123-M134 CarbonylContact O-C 3.49Å; Y123-M134 WeakPolarHBondContact O-CA 3.26Å; Y124-M134 HydrophobicContact CD1-CB 4.02Å; Y124-M134 HydrophobicContact CE1-CB 3.86Å; Y124-M134 HydrophobicContact CE1-CG 4.18Å; M134-Q136 HydrophobicContact CE-CG 3.95Å; M134-Q136 HydrophobicContact CG-CG 4.48Å; M134-Q136 HydrophobicContact SD-CG 4.42Å
135	I	44.1	Very low	35.2	Very low	48 Å²	48	93.7 Å²	93.7	25%	0.246	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	168.4	-53.8	169.1	0	0	0	108.3	Y123 L125 E133 F145	Y123-I135 PolarHBondContact N-O 3.47Å; Y123-I135 PolarHBondContact O-N 3.26Å; L125-I135 HydrophobicContact CB-CD1 3.74Å; L125-I135 HydrophobicContact CB-CG1 4.01Å; L125-I135 HydrophobicContact CD1-CD1 4.36Å; L125-I135 HydrophobicContact CG-CD1 4.47Å; E133-I135 PolarHBondContact O-N 3.19Å; I135-F145 HydrophobicContact CB-CZ 4.08Å; I135-F145 HydrophobicContact CD1-CE1 4.14Å; I135-F145 HydrophobicContact CD1-CZ 3.88Å; I135-F145 HydrophobicContact CG2-CE2 4.31Å; I135-F145 HydrophobicContact CG2-CZ 3.84Å
136	Q	38.6	Very low	34.7	Very low	144 Å²	144	97 Å²	97	67%	0.673	49%	0.488	S	S	*	.			trans	-77.8	130.6	167.7	-71.3	-178.2	-18.8	0	0	109.7	M134 M138	M134-Q136 HydrophobicContact CE-CG 3.95Å; M134-Q136 HydrophobicContact CG-CG 4.48Å; M134-Q136 HydrophobicContact SD-CG 4.42Å; Q136-M138 PolarHBondContact O-N 3.24Å
137	S	36.1	Very low	34.2	Very low	39 Å²	39	98.5 Å²	98.5	27%	0.273	50%	0.499	S	S	.	.			trans	-65.8	119.6	171.8	97	0	0	0	0	108	N139 N140	S137-N139 PolarHBondContact O-N 2.71Å; S137-N139 VanDerWaalsContact O-N 3.07Å; S137-N140 VanDerWaalsContact OG-CA 3.32Å; S137-N140 WeakPolarHBondContact OG-CA 3.5Å; S137-N140 PolarHBondContact OG-N 2.89Å; S137-N140 VanDerWaalsContact OG-N 3.17Å
138	M	35	Very low	33.8	Very low	128 Å²	128	98 Å²	98	63%	0.631	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.8	-176.3	-85.4	-166.5	178.7	0	0	114.3	L31 F33 Q136	L31-M138 HydrophobicContact CD2-CE 3.85Å; F33-M138 HydrophobicContact CE2-CE 4.18Å; F33-M138 HydrophobicContact CE2-SD 4.16Å; F33-M138 HydrophobicContact CZ-SD 4.41Å; Q136-M138 PolarHBondContact O-N 3.24Å
139	N	31.5	Very low	33.6	Very low	142 Å²	142	92.3 Å²	92.3	76%	0.759	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.4	31.6	-169.9	-78.2	-37.6	0	0	0	114.3	S137 S141	S137-N139 PolarHBondContact O-N 2.71Å; S137-N139 VanDerWaalsContact O-N 3.07Å; N139-S141 PolarHBondContact O-N 3.02Å
140	N	30.8	Very low	33.3	Very low	118 Å²	118	92.2 Å²	92.2	63%	0.631	48%	0.48	S	S	*	.	S	Bend	trans	53.3	17.7	-169.1	-74.1	-25.8	0	0	0	113.8	H120 S137 S142	H120-N140 PolarHBondContact CE1-OD1 2.76Å; H120-N140 PolarHBondContact ND1-OD1 2.83Å; S137-N140 VanDerWaalsContact OG-CA 3.32Å; S137-N140 WeakPolarHBondContact OG-CA 3.5Å; S137-N140 PolarHBondContact OG-N 2.89Å; S137-N140 VanDerWaalsContact OG-N 3.17Å; N140-S142 PolarHBondContact O-N 3.44Å; N140-S142 VanDerWaalsContact O-N 3.09Å
141	S	28.3	Very low	33.2	Very low	52 Å²	52	91.4 Å²	91.4	36%	0.364	48%	0.477	S	S	.	.			trans	-84	90.5	-178.4	174.3	0	0	0	0	108.7	N139 H143	N139-S141 PolarHBondContact O-N 3.02Å; S141-H143 PolarHBondContact O-N 2.96Å
142	S	30.9	Very low	33.2	Very low	50 Å²	50	89.4 Å²	89.4	35%	0.35	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	164.7	48.5	0	0	0	0	111.8	N140 F144 F145 F146	N140-S142 PolarHBondContact O-N 3.44Å; N140-S142 VanDerWaalsContact O-N 3.09Å; S142-F144 PolarHBondContact O-N 3.48Å; S142-F145 PolarHBondContact O-N 2.85Å; S142-F146 WeakPolarHBondContact O-CD2 3.36Å; S142-F146 PolarHBondContact O-N 2.82Å
143	H	31	Very low	32.9	Very low	147 Å²	147	94.4 Å²	94.4	68%	0.681	48%	0.48	S	S	*	.	H	α-helix	trans	-58.1	-26.5	-173.4	-87	-61.4	0	0	0	115.2	S141 T147	S141-H143 PolarHBondContact O-N 2.96Å; H143-T147 PolarHBondContact O-OG1 3.48Å
144	F	33.6	Very low	32.4	Very low	117 Å²	117	94.7 Å²	94.7	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-72.9	-35	-177.5	-168.2	-102.6	0	0	0	113.3	S142	S142-F144 PolarHBondContact O-N 3.48Å
145	F	34	Very low	31.8	Very low	36 Å²	36	97 Å²	97	16%	0.158	50%	0.503	C	S	.	.	H	α-helix	trans	-87.8	-29.4	-176.7	-71	-80.3	0	0	0	113	Y123 I135 S142 T147 L148 A149	Y123-F145 HydrophobicContact CD1-CB 3.94Å; Y123-F145 AromaticContact CD1-CD1 3.76Å; Y123-F145 HydrophobicContact CD1-CD1 3.76Å; Y123-F145 AromaticContact CD1-CD2 3.68Å; Y123-F145 HydrophobicContact CD1-CD2 3.68Å; Y123-F145 HydrophobicContact CD1-CE1 4.15Å; Y123-F145 HydrophobicContact CD1-CE2 4.07Å; Y123-F145 AromaticContact CD1-CG 3.5Å; Y123-F145 HydrophobicContact CD1-CG 3.5Å; Y123-F145 VanDerWaalsContact CD1-CG 3.5Å; Y123-F145 HydrophobicContact CD1-CZ 4.29Å; Y123-F145 AromaticContact CD2-CD2 3.63Å; Y123-F145 HydrophobicContact CD2-CD2 3.63Å; Y123-F145 AromaticContact CD2-CE2 3.58Å; Y123-F145 HydrophobicContact CD2-CE2 3.58Å; Y123-F145 HydrophobicContact CD2-CG 4.33Å; Y123-F145 HydrophobicContact CD2-CZ 4.25Å; Y123-F145 HydrophobicContact CE1-CB 3.56Å; Y123-F145 HydrophobicContact CE1-CD1 4.28Å; Y123-F145 AromaticContact CE1-CD2 3.79Å; Y123-F145 HydrophobicContact CE1-CD2 3.79Å; Y123-F145 AromaticContact CE1-CG 3.61Å; Y123-F145 HydrophobicContact CE1-CG 3.61Å; Y123-F145 AromaticContact CE2-CD2 3.75Å; Y123-F145 HydrophobicContact CE2-CD2 3.75Å; Y123-F145 HydrophobicContact CE2-CE2 4.14Å; Y123-F145 HydrophobicContact CE2-CG 4.43Å; Y123-F145 HydrophobicContact CG-CD1 4.12Å; Y123-F145 AromaticContact CG-CD2 3.59Å; Y123-F145 HydrophobicContact CG-CD2 3.59Å; Y123-F145 HydrophobicContact CG-CE1 4.07Å; Y123-F145 AromaticContact CG-CE2 3.54Å; Y123-F145 HydrophobicContact CG-CE2 3.54Å; Y123-F145 AromaticContact CG-CG 3.88Å; Y123-F145 HydrophobicContact CG-CG 3.88Å; Y123-F145 AromaticContact CG-CZ 3.79Å; Y123-F145 HydrophobicContact CG-CZ 3.79Å; Y123-F145 AromaticContact CZ-CD2 3.82Å; I135-F145 HydrophobicContact CB-CZ 4.08Å; I135-F145 HydrophobicContact CD1-CE1 4.14Å; I135-F145 HydrophobicContact CD1-CZ 3.88Å; I135-F145 HydrophobicContact CG2-CE2 4.31Å; I135-F145 HydrophobicContact CG2-CZ 3.84Å; S142-F145 PolarHBondContact O-N 2.85Å; F145-T147 VanDerWaalsContact C-N 3.31Å; F145-T147 PolarHBondContact O-N 3.08Å; F145-L148 PolarHBondContact O-N 3.22Å; F145-A149 PolarHBondContact O-N 3.4Å
146	F	32.6	Very low	31.1	Very low	120 Å²	120	97.9 Å²	97.9	53%	0.526	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-29.8	178.9	-87.3	-91.8	0	0	0	113.1	S142 L148 S150	S142-F146 WeakPolarHBondContact O-CD2 3.36Å; S142-F146 PolarHBondContact O-N 2.82Å; F146-L148 PolarHBondContact O-N 2.85Å; F146-S150 VanDerWaalsContact O-CB 3.29Å; F146-S150 WeakPolarHBondContact O-CB 3.47Å; F146-S150 PolarHBondContact O-N 3.46Å; F146-S150 PolarHBondContact O-OG 3.29Å
147	T	30.2	Very low	30.6	Very low	88 Å²	88	95.8 Å²	95.8	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-73.2	-27.1	-179	-46.5	0	0	0	0	113.4	H143 F145 Q151	H143-T147 PolarHBondContact O-OG1 3.48Å; F145-T147 VanDerWaalsContact C-N 3.31Å; F145-T147 PolarHBondContact O-N 3.08Å; T147-Q151 WeakPolarHBondContact O-CG 3.11Å
148	L	31	Very low	30.6	Very low	48 Å²	48	97.4 Å²	97.4	25%	0.251	52%	0.519	S	S	.	.	H	α-helix	trans	-85	-41.3	178.1	-91.6	150.6	0	0	0	112.4	F145 F146 S150 Q151 I152	F145-L148 PolarHBondContact O-N 3.22Å; F146-L148 PolarHBondContact O-N 2.85Å; L148-S150 PolarHBondContact O-N 3.4Å; L148-Q151 PolarHBondContact O-N 3.17Å; L148-I152 WeakPolarHBondContact O-CD1 3.49Å
149	A	29.3	Very low	30.7	Very low	39 Å²	39	101.6 Å²	101.6	32%	0.322	53%	0.534	S	S	.	.	H	α-helix	trans	-70.9	-29.1	179.3	0	0	0	0	0	113.4	F145 Q151 I152	F145-A149 PolarHBondContact O-N 3.4Å; A149-Q151 VanDerWaalsContact C-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.09Å; A149-I152 PolarHBondContact O-N 3.22Å
150	S	26.9	Very low	31	Very low	84 Å²	84	100.7 Å²	100.7	59%	0.587	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.5	-180	-53.9	0	0	0	0	113.8	F146 L148	F146-S150 VanDerWaalsContact O-CB 3.29Å; F146-S150 WeakPolarHBondContact O-CB 3.47Å; F146-S150 PolarHBondContact O-N 3.46Å; F146-S150 PolarHBondContact O-OG 3.29Å; L148-S150 PolarHBondContact O-N 3.4Å
151	Q	30.9	Very low	31	Very low	147 Å²	147	102.2 Å²	102.2	69%	0.687	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.1	178.8	-71.3	178.8	-18.7	0	0	113.3	T147 L148 A149	T147-Q151 WeakPolarHBondContact O-CG 3.11Å; L148-Q151 PolarHBondContact O-N 3.17Å; A149-Q151 VanDerWaalsContact C-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.09Å
152	I	30.1	Very low	30.9	Very low	69 Å²	69	108.1 Å²	108.1	35%	0.354	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	-18.3	-173.3	-56.4	169.8	0	0	0	111.8	L148 A149 S154	L148-I152 WeakPolarHBondContact O-CD1 3.49Å; A149-I152 PolarHBondContact O-N 3.22Å; I152-S154 PolarHBondContact O-N 3.4Å
153	R	27.6	Very low	31	Very low	223 Å²	223	114.6 Å²	114.6	84%	0.842	57%	0.57	S	S	*	*			trans	-98.9	73.8	-178.2	-70.6	-177.1	76.6	169.9	5.1	112.4
154	S	27.2	Very low	30.9	Very low	72 Å²	72	112.6 Å²	112.6	50%	0.503	56%	0.559	S	S	.	*			trans	-158.3	94.4	163.5	44.2	0	0	0	0	108.7	I152	I152-S154 PolarHBondContact O-N 3.4Å
155	D	28.2	Very low	30.7	Very low	126 Å²	126	114.5 Å²	114.5	67%	0.674	57%	0.57	S	S	*	*				161.4	131.3	119.1	-78.2	-22.2	0	0	0	114.3
156	S	29.8	Very low	30.6	Very low	67 Å²	67	118.1 Å²	118.1	47%	0.469	59%	0.59	S	S	.	*			trans	57.4	105.7	153.9	69.1	0	0	0	0	119
157	C	27.6	Very low	30.4	Very low	100 Å²	100	121.7 Å²	121.7	68%	0.676	60%	0.6	S	S	*	*	B	Isolated β-bridge	trans	-65.7	130.8	146.5	-60.4	0	0	0	0	107.9
158	D	35	Very low	30.2	Very low	73 Å²	73	122.7 Å²	122.7	39%	0.39	61%	0.606	S	S	.	*			trans	-70.9	159.1	164.6	-84.8	-28.9	0	0	0	109.8	N160 N161 K164	D158-N160 PolarHBondContact O-N 2.79Å; D158-N161 PolarHBondContact O-N 3.18Å; D158-K164 IonicContact OD1-NZ 2.77Å; D158-K164 PolarHBondContact OD1-NZ 3.25Å; D158-K164 WeakPolarHBondContact OD2-CE 3.48Å; D158-K164 IonicContact OD2-NZ 3.26Å; D158-K164 PolarHBondContact OD2-NZ 2.72Å
159	K	38	Very low	30.1	Very low	215 Å²	215	127.9 Å²	127.9	94%	0.935	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-12.9	-177.6	-72.3	-177.6	176.7	-179.9	0	115
160	N	37	Very low	30	Very low	123 Å²	123	136.6 Å²	136.6	66%	0.658	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	16.8	-177.1	-64.1	-9.4	0	0	0	113.4	D158 Y162	D158-N160 PolarHBondContact O-N 2.79Å; N160-Y162 HydrophobicContact CB-CD2 3.63Å; N160-Y162 HydrophobicContact CB-CE2 4.04Å; N160-Y162 WeakPolarHBondContact O-CD2 3.47Å; N160-Y162 PolarHBondContact O-N 3.03Å
161	N	32.1	Very low	30.1	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	66%	0.663	S	S	*	*	S	Bend	trans	58.2	9.7	-177.6	-80.5	-25.4	0	0	0	115.6	D158 R163	D158-N161 PolarHBondContact O-N 3.18Å; N161-R163 PolarHBondContact O-N 3.21Å
162	Y	26	Very low	29.9	Very low	176 Å²	176	139.9 Å²	139.9	69%	0.69	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-77	125.1	170.5	-69.7	-78.9	0	0	0	109.6	N160 K164	N160-Y162 HydrophobicContact CB-CD2 3.63Å; N160-Y162 HydrophobicContact CB-CE2 4.04Å; N160-Y162 WeakPolarHBondContact O-CD2 3.47Å; N160-Y162 PolarHBondContact O-N 3.03Å; Y162-K164 PolarHBondContact O-N 3.21Å
163	R	32	Very low	29.9	Very low	186 Å²	186	140.6 Å²	140.6	70%	0.702	67%	0.67	S	S	*	*	B	Isolated β-bridge	trans	-62.7	120.1	167.8	-72.3	175.6	170.6	-126.8	9.4	107.8	N161 Q165 E228	N161-R163 PolarHBondContact O-N 3.21Å; R163-Q165 PolarHBondContact O-N 3.08Å; R163-E228 IonicContact CZ-OE1 3.44Å; R163-E228 IonicContact NH1-OE1 2.63Å; R163-E228 PolarHBondContact NH1-OE1 3.26Å; R163-E228 IonicContact NH1-OE2 3.51Å; R163-E228 IonicContact NH2-OE1 3.35Å; R163-E228 PolarHBondContact NH2-OE1 2.96Å
164	K	29.7	Very low	30.3	Very low	106 Å²	106	136.6 Å²	136.6	46%	0.461	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-61.1	120.8	168	-95.9	179.1	171.3	131.7	0	108.7	D158 Y162 L166	D158-K164 IonicContact OD1-NZ 2.77Å; D158-K164 PolarHBondContact OD1-NZ 3.25Å; D158-K164 WeakPolarHBondContact OD2-CE 3.48Å; D158-K164 IonicContact OD2-NZ 3.26Å; D158-K164 PolarHBondContact OD2-NZ 2.72Å; Y162-K164 PolarHBondContact O-N 3.21Å; K164-L166 PolarHBondContact O-N 3.34Å; K164-L166 VanDerWaalsContact O-N 3.08Å
165	Q	30.3	Very low	30.7	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	67%	0.672	S	S	*	*			trans	-60.4	110.9	167.4	-137.1	172.4	15.5	0	0	106.9	R163 W167	R163-Q165 PolarHBondContact O-N 3.08Å; Q165-W167 PolarHBondContact O-N 3.15Å
166	L	30.1	Very low	31.3	Very low	112 Å²	112	137.5 Å²	137.5	59%	0.586	67%	0.674	S	S	*	*	S	Bend	trans	-66.4	-26.1	-170.6	-109.9	119.7	0	0	0	111.9	K164	K164-L166 PolarHBondContact O-N 3.34Å; K164-L166 VanDerWaalsContact O-N 3.08Å
167	W	28.4	Very low	31.8	Very low	194 Å²	194	138.6 Å²	138.6	74%	0.735	67%	0.668	S	S	*	*			trans	-147.3	118.9	-179	-82.3	60.5	0	0	0	110.4	Q165 L220	Q165-W167 PolarHBondContact O-N 3.15Å; W167-L220 HydrophobicContact CZ2-CD2 4.46Å
168	T	27.6	Very low	32.6	Very low	109 Å²	109	142 Å²	142	67%	0.669	67%	0.672	S	S	*	*			trans	-97.9	108.8	161.2	50.4	0	0	0	0	108.5	R170	T168-R170 PolarHBondContact O-N 3.48Å; T168-R170 VanDerWaalsContact O-N 3.08Å
169	H	29	Very low	33.1	Very low	157 Å²	157	145.6 Å²	145.6	73%	0.727	69%	0.686	S	S	*	*			trans	-68.7	101.4	167.8	-175	-95.6	0	0	0	108.3	E171	H169-E171 VanDerWaalsContact CE1-CG 3.4Å; H169-E171 WeakPolarHBondContact CE1-CG 3.21Å; H169-E171 WeakPolarHBondContact ND1-CG 3.45Å; H169-E171 PolarHBondContact O-N 3.48Å
170	R	26.3	Very low	33.3	Very low	222 Å²	222	143.2 Å²	143.2	84%	0.838	68%	0.676	S	S	*	*			trans	-73.3	100.7	160.4	-99.9	-174.7	178.9	-177.6	-0.3	106.6	T168 Q172	T168-R170 PolarHBondContact O-N 3.48Å; T168-R170 VanDerWaalsContact O-N 3.08Å; R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 2.79Å
171	E	28.3	Very low	33.6	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	67%	0.666	S	S	*	*			trans	-56.2	99.1	158.4	-85.4	-176.5	157.7	0	0	107.7	H169 S173	H169-E171 VanDerWaalsContact CE1-CG 3.4Å; H169-E171 WeakPolarHBondContact CE1-CG 3.21Å; H169-E171 WeakPolarHBondContact ND1-CG 3.45Å; H169-E171 PolarHBondContact O-N 3.48Å; E171-S173 PolarHBondContact O-N 3.05Å
172	Q	28.1	Very low	34.2	Very low	131 Å²	131	142 Å²	142	61%	0.612	66%	0.661	S	S	*	*			trans	-75	119.7	161.3	-76.1	-167	-22.8	0	0	106.7	R170 N174	R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 2.79Å; Q172-N174 PolarHBondContact O-N 3.5Å
173	S	29.6	Very low	35	Very low	83 Å²	83	140.5 Å²	140.5	58%	0.58	66%	0.66	S	S	*	*			trans	-51.3	133.4	176.9	62.6	0	0	0	0	110.7	E171 G175 Q176	E171-S173 PolarHBondContact O-N 3.05Å; S173-G175 PolarHBondContact O-N 3.42Å; S173-Q176 PolarHBondContact O-N 3.06Å
174	N	36	Very low	35.8	Very low	140 Å²	140	136 Å²	136	75%	0.749	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-6.1	-175.9	-83.6	-32.8	0	0	0	115	Q172	Q172-N174 PolarHBondContact O-N 3.5Å
175	G	35.9	Very low	36.3	Very low	61 Å²	61	139.6 Å²	139.6	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-40.9	179.5	0	0	0	0	0	114.8	S173	S173-G175 PolarHBondContact O-N 3.42Å
176	Q	40.7	Very low	37	Very low	155 Å²	155	138.6 Å²	138.6	72%	0.724	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-15.9	-172.3	-70.8	-175.2	-17.8	0	0	114.2	S173	S173-Q176 PolarHBondContact O-N 3.06Å
177	R	40.3	Very low	37.8	Very low	91 Å²	91	139 Å²	139	34%	0.343	66%	0.661	S	S	.	*	H	α-helix	trans	-77.3	-27	-176.8	-123.4	176.1	-178.4	-171.9	-1	113.2	D214	R177-D214 IonicContact CZ-OD2 3.64Å; R177-D214 IonicContact NH1-OD2 2.89Å; R177-D214 PolarHBondContact NH1-OD2 3.07Å; R177-D214 IonicContact NH2-OD2 3.44Å; R177-D214 PolarHBondContact NH2-OD2 3.09Å
178	K	43.8	Very low	38.5	Very low	171 Å²	171	133.7 Å²	133.7	74%	0.743	65%	0.648	S	S	*	*	H	α-helix	trans	-73.8	-23.9	-179.3	-76.6	-175.4	176.5	177.3	0	113.6
179	E	45.2	Very low	39.2	Very low	149 Å²	149	138 Å²	138	70%	0.696	65%	0.652	S	S	*	*	H	α-helix	trans	-85.5	-42.2	-178.2	-121.7	173.6	179.3	0	0	112.9	L181 K182 Q183	E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.49Å; E179-K182 PolarHBondContact O-N 2.81Å; E179-Q183 PolarHBondContact O-N 3.24Å
180	K	42.6	Very low	40	Very low	164 Å²	164	138.5 Å²	138.5	71%	0.713	65%	0.652	S	S	*	*	H	α-helix	trans	-64.9	-32.1	175.2	-88.4	-176.9	174.5	177.8	0	113.2	K182 T184	K180-K182 VanDerWaalsContact C-N 3.34Å; K180-T184 PolarHBondContact O-N 3.03Å; K180-T184 PolarHBondContact O-OG1 2.92Å
181	L	43.8	Very low	40.9	Very low	87 Å²	87	134.3 Å²	134.3	46%	0.455	64%	0.642	S	S	.	*	H	α-helix	trans	-73.7	-22.6	177.9	-120.1	107.3	0	0	0	113.6	E179 R185	E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.49Å; L181-R185 WeakPolarHBondContact O-CG 3.29Å
182	K	44.6	Very low	41.6	Very low	160 Å²	160	132 Å²	132	70%	0.696	63%	0.631	S	S	*	*	H	α-helix	trans	-76.2	-43.6	174.9	-85.9	-175.4	173	-176.2	0	111.8	E179 K180 T184 R185 E186	E179-K182 PolarHBondContact O-N 2.81Å; K180-K182 VanDerWaalsContact C-N 3.34Å; K182-T184 PolarHBondContact O-N 3.19Å; K182-R185 PolarHBondContact O-N 3.35Å; K182-E186 PolarHBondContact O-N 3.4Å
183	Q	43.8	Very low	42.3	Very low	145 Å²	145	130.4 Å²	130.4	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-66.7	-38.3	-178.3	-72.9	-178.3	-5.8	0	0	113.4	E179 R185 E186 L187	E179-Q183 PolarHBondContact O-N 3.24Å; Q183-R185 VanDerWaalsContact C-N 3.33Å; Q183-R185 PolarHBondContact O-N 3.48Å; Q183-E186 PolarHBondContact O-N 3.46Å; Q183-L187 PolarHBondContact O-N 3.37Å
184	T	46.8	Very low	42.9	Very low	91 Å²	91	135.5 Å²	135.5	56%	0.558	64%	0.642	S	S	*	*	H	α-helix	trans	-72.5	-26.2	179.8	-36.6	0	0	0	0	112.9	K180 K182 N188	K180-T184 PolarHBondContact O-N 3.03Å; K180-T184 PolarHBondContact O-OG1 2.92Å; K182-T184 PolarHBondContact O-N 3.19Å; T184-N188 PolarHBondContact O-ND2 3.07Å
185	R	40.7	Very low	43	Very low	182 Å²	182	136 Å²	136	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-77.9	-27.1	177.3	-77.6	-179.1	173.9	-178.6	-0.6	113	L181 K182 Q183	L181-R185 WeakPolarHBondContact O-CG 3.29Å; K182-R185 PolarHBondContact O-N 3.35Å; Q183-R185 VanDerWaalsContact C-N 3.33Å; Q183-R185 PolarHBondContact O-N 3.48Å
186	E	46.6	Very low	43.1	Very low	136 Å²	136	140.3 Å²	140.3	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-83.2	-29.4	-177.9	-149.1	150.4	-157.5	0	0	112.6	K182 Q183	K182-E186 PolarHBondContact O-N 3.4Å; Q183-E186 PolarHBondContact O-N 3.46Å
187	L	45.6	Very low	42.9	Very low	120 Å²	120	141.7 Å²	141.7	63%	0.628	65%	0.652	S	S	*	*	H	α-helix	trans	-71.9	-40.6	176.1	-139.4	109.4	0	0	0	112.5	Q183 R189	Q183-L187 PolarHBondContact O-N 3.37Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.11Å
188	N	44.2	Very low	42.8	Very low	84 Å²	84	142.1 Å²	142.1	45%	0.449	67%	0.669	S	S	.	*	H	α-helix	trans	-71.5	-26.6	179	-73.8	-21.1	0	0	0	113	T184 Q192	T184-N188 PolarHBondContact O-ND2 3.07Å; N188-Q192 PolarHBondContact O-N 2.92Å
189	R	41.8	Very low	42.1	Very low	200 Å²	200	140.5 Å²	140.5	76%	0.755	67%	0.667	S	S	*	*	H	α-helix	trans	-75.2	-26.4	-179.3	-155.4	174.5	170.6	-172.3	-3.8	113.2	L187 T193	L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.11Å; R189-T193 PolarHBondContact O-OG1 2.78Å
190	K	46.4	Very low	41.5	Very low	166 Å²	166	141.3 Å²	141.3	72%	0.722	68%	0.676	S	S	*	*	H	α-helix	trans	-83.9	-22.3	175.7	-71.9	-174.5	179.3	178.9	0	114
191	Q	45.4	Very low	40.9	Very low	135 Å²	135	141.6 Å²	141.6	63%	0.631	68%	0.683	S	S	*	*	H	α-helix	trans	-83.3	-36.3	173.3	-84.5	179.2	-7.7	0	0	112.4	T193 K194	Q191-T193 VanDerWaalsContact C-N 3.28Å; Q191-T193 PolarHBondContact O-N 2.96Å; Q191-K194 PolarHBondContact O-N 3.29Å
192	Q	41.7	Very low	40.1	Very low	121 Å²	121	141.7 Å²	141.7	57%	0.565	70%	0.697	S	S	*	*	H	α-helix	trans	-70.6	-17.8	179.7	-75.9	-179.2	-8.5	0	0	114.7	N188	N188-Q192 PolarHBondContact O-N 2.92Å
193	T	43.2	Very low	39.3	Very low	97 Å²	97	141.4 Å²	141.4	60%	0.595	70%	0.703	S	S	*	*	H	α-helix	trans	-80	-15.3	179.6	3	0	0	0	0	114.2	R189 Q191	R189-T193 PolarHBondContact O-OG1 2.78Å; Q191-T193 VanDerWaalsContact C-N 3.28Å; Q191-T193 PolarHBondContact O-N 2.96Å
194	K	41.6	Very low	38.8	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	71%	0.707	S	S	*	*	H	α-helix	trans	-92	-20.7	176.2	-84	-172.7	174.8	-176	0	114.2	Q191	Q191-K194 PolarHBondContact O-N 3.29Å
195	E	39.6	Very low	37.9	Very low	152 Å²	152	148.7 Å²	148.7	71%	0.71	73%	0.725	S	S	*	*	H	α-helix	trans	-96.4	-11.7	179.6	-73.8	-176.4	158.6	0	0	113.9	Q197	E195-Q197 VanDerWaalsContact C-N 3.33Å; E195-Q197 PolarHBondContact O-N 3Å
196	M	36.4	Very low	37.2	Very low	151 Å²	151	147.4 Å²	147.4	74%	0.744	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	1.1	-178.5	-97.7	-175.5	-166	0	0	115.7
197	Q	37.4	Very low	36.2	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	2.4	-177.3	-72.9	-171.4	-11.1	0	0	115	E195	E195-Q197 VanDerWaalsContact C-N 3.33Å; E195-Q197 PolarHBondContact O-N 3Å
198	S	37.4	Very low	35.3	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	73%	0.733	S	S	*	*	S	Bend	trans	-130.9	6.1	-170.4	55	0	0	0	0	116.4
199	I	30.2	Very low	34.3	Very low	138 Å²	138	150.3 Å²	150.3	71%	0.708	75%	0.751	S	S	*	*			trans	-130.1	107.3	-174.6	-56.3	177.1	0	0	0	111.1	I201	I199-I201 PolarHBondContact O-N 2.77Å
200	N	31.4	Very low	33.6	Very low	165 Å²	165	147.9 Å²	147.9	88%	0.882	75%	0.752	S	S	*	*			trans	-46.6	125	172.6	-111.2	-28.3	0	0	0	111.9	A202	N200-A202 PolarHBondContact O-N 3.26Å
201	I	31	Very low	32.5	Very low	170 Å²	170	144 Å²	144	87%	0.872	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	94.1	-176.4	-59.1	162.8	0	0	0	107.7	I199	I199-I201 PolarHBondContact O-N 2.77Å
202	A	26.4	Very low	31.4	Very low	90 Å²	90	142.8 Å²	142.8	74%	0.744	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.1	-23.9	166.4	0	0	0	0	0	116.4	N200	N200-A202 PolarHBondContact O-N 3.26Å
203	D	28	Very low	30.6	Very low	154 Å²	154	145.1 Å²	145.1	82%	0.824	76%	0.758	S	S	*	*	S	Bend	trans	-131.3	17.2	-155.5	-101.6	-28.3	0	0	0	119
204	K	32.7	Very low	29.7	Very low	174 Å²	174	144.9 Å²	144.9	76%	0.757	75%	0.753	S	S	*	*			trans	-137.3	104.7	178.4	-65.9	-175.1	-177.6	174.8	0	112.8	H206	K204-H206 VanDerWaalsContact C-N 3.28Å; K204-H206 PolarHBondContact O-CD2 3.35Å; K204-H206 VanDerWaalsContact O-CD2 3.32Å; K204-H206 PolarHBondContact O-N 3.48Å
205	K	28.4	Very low	29	Very low	215 Å²	215	140.8 Å²	140.8	94%	0.935	75%	0.748	S	S	*	*			trans	-58.9	95.1	157.3	-75.8	-174	177.6	-178.7	0	107.7
206	H	27	Very low	28.3	Very low	154 Å²	154	138.6 Å²	138.6	71%	0.713	75%	0.75	S	S	*	*			trans	-62.6	133.9	176.4	-79.6	-78.3	0	0	0	110.2	K204 V208	K204-H206 VanDerWaalsContact C-N 3.28Å; K204-H206 PolarHBondContact O-CD2 3.35Å; K204-H206 VanDerWaalsContact O-CD2 3.32Å; K204-H206 PolarHBondContact O-N 3.48Å; H206-V208 PolarHBondContact O-N 2.63Å
207	P	25.3	Very low	27.9	Very low	101 Å²	101	134.3 Å²	134.3	66%	0.656	74%	0.735	S	S	*	*			trans	-70.7	111.9	170	28.7	-28.9	0	0	0	107.9	H209	P207-H209 VanDerWaalsContact C-N 3.28Å; P207-H209 PolarHBondContact O-N 3.36Å
208	V	25.2	Very low	27.4	Very low	123 Å²	123	132.3 Å²	132.3	75%	0.745	73%	0.73	S	S	*	*			trans	-70.6	90.6	169.2	-179.4	0	0	0	0	107.5	H206 D210	H206-V208 PolarHBondContact O-N 2.63Å; V208-D210 HydrophobicContact CG1-CB 4.25Å
209	H	24.6	Very low	26.9	Very low	178 Å²	178	134.3 Å²	134.3	82%	0.824	73%	0.726	S	S	*	*			trans	-89.5	87.1	156	-81.5	-72.8	0	0	0	107.5	P207	P207-H209 VanDerWaalsContact C-N 3.28Å; P207-H209 PolarHBondContact O-N 3.36Å
210	D	25.7	Very low	26.8	Very low	148 Å²	148	132.8 Å²	132.8	79%	0.791	72%	0.719	S	S	*	*			trans	-101.9	118.4	161.5	-89.9	-32.3	0	0	0	109.1	V208	V208-D210 HydrophobicContact CG1-CB 4.25Å
211	A	23.5	Very low	26.6	Very low	86 Å²	86	131 Å²	131	71%	0.711	71%	0.708	S	S	*	*			trans	-52.8	129.7	170	0	0	0	0	0	110.5
212	V	23.2	Very low	26.6	Very low	108 Å²	108	128 Å²	128	66%	0.655	69%	0.691	S	S	*	*				62	134.6	101.6	-168.1	0	0	0	0	114.6
213	Y	24.5	Very low	26.6	Very low	171 Å²	171	126.8 Å²	126.8	67%	0.671	68%	0.676	S	S	*	*			trans	98.9	123.2	166.8	-61.4	-69	0	0	0	115.1
214	D	25.3	Very low	26.5	Very low	91 Å²	91	123.5 Å²	123.5	49%	0.487	66%	0.657	S	S	.	*	S	Bend	cis	-173.5	99	0.2	-146.2	-13.8	0	0	0	104.6	R177 S217	R177-D214 IonicContact CZ-OD2 3.64Å; R177-D214 IonicContact NH1-OD2 2.89Å; R177-D214 PolarHBondContact NH1-OD2 3.07Å; R177-D214 IonicContact NH2-OD2 3.44Å; R177-D214 PolarHBondContact NH2-OD2 3.09Å; D214-S217 PolarHBondContact OD1-OG 3.12Å
215	S	25.3	Very low	26.3	Very low	104 Å²	104	119 Å²	119	73%	0.727	64%	0.644	S	S	*	*	S	Bend	trans	-165.1	-12.8	169.3	79.5	0	0	0	0	114.3	S217	S215-S217 VanDerWaalsContact C-N 3.3Å
216	S	26.6	Very low	26.3	Very low	106 Å²	106	115.6 Å²	115.6	74%	0.741	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-86	-2.8	168.8	46.1	0	0	0	0	113.2	N218	S216-N218 VanDerWaalsContact C-N 3.26Å; S216-N218 PolarHBondContact O-N 2.75Å
217	S	26.3	Very low	26.3	Very low	62 Å²	62	113.7 Å²	113.7	43%	0.434	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-71.9	-13.3	173.7	22.3	0	0	0	0	113.5	D214 S215 F219	D214-S217 PolarHBondContact OD1-OG 3.12Å; S215-S217 VanDerWaalsContact C-N 3.3Å; S217-F219 VanDerWaalsContact C-N 3.32Å; S217-F219 PolarHBondContact O-N 3.48Å
218	N	26.6	Very low	26.4	Very low	140 Å²	140	113.8 Å²	113.8	75%	0.749	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-83.6	1.5	174.9	-80.2	-13.4	0	0	0	114.8	S216	S216-N218 VanDerWaalsContact C-N 3.26Å; S216-N218 PolarHBondContact O-N 2.75Å
219	F	28	Very low	26.5	Very low	143 Å²	143	111.8 Å²	111.8	63%	0.627	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-110.7	8.5	-178.2	-144.5	-95.6	0	0	0	113.9	S217	S217-F219 VanDerWaalsContact C-N 3.32Å; S217-F219 PolarHBondContact O-N 3.48Å
220	L	27.9	Very low	26.6	Very low	106 Å²	106	111.1 Å²	111.1	56%	0.555	61%	0.613	S	S	*	*	S	Bend	trans	-101.8	27.1	-178.5	-138.5	104.1	0	0	0	113.3	W167	W167-L220 HydrophobicContact CZ2-CD2 4.46Å
221	L	27.5	Very low	26.6	Very low	126 Å²	126	112.2 Å²	112.2	66%	0.66	62%	0.619	S	S	*	*			trans	-166.1	103.9	173	-140.8	75.3	0	0	0	109.9
222	H	30.1	Very low	26.7	Very low	109 Å²	109	115.7 Å²	115.7	51%	0.505	62%	0.624	S	S	.	*			trans	-179.5	34.1	141.9	-100.1	77.4	0	0	0	111.1	L126 M224	L126-H222 WeakPolarHBondContact CD2-CD2 3.42Å; L126-H222 VanDerWaalsContact CD2-NE2 3.32Å; L126-H222 WeakPolarHBondContact CD2-NE2 3.37Å; H222-M224 PolarHBondContact O-N 3.42Å
223	C	27.4	Very low	26.9	Very low	64 Å²	64	113.7 Å²	113.7	43%	0.432	63%	0.626	S	S	.	*			trans	-84.9	62.4	153.5	-62.4	0	0	0	0	107.6	T225	C223-T225 PolarHBondContact O-N 2.6Å; C223-T225 VanDerWaalsContact O-N 3.15Å
224	M	26.2	Very low	26.8	Very low	84 Å²	84	115.5 Å²	115.5	41%	0.414	64%	0.637	S	S	.	*			trans	-67.7	107.2	157.1	-78.3	-176.1	72.7	0	0	105.4	H222 I226 E228 C229	H222-M224 PolarHBondContact O-N 3.42Å; M224-I226 PolarHBondContact O-N 3Å; M224-E228 HydrophobicContact CE-CB 3.88Å; M224-C229 WeakPolarHBondContact CE-SG 3.33Å
225	T	28.2	Very low	26.8	Very low	81 Å²	81	116.7 Å²	116.7	50%	0.497	65%	0.65	S	S	.	*			trans	-50.7	127.1	151.8	38.2	0	0	0	0	106.5	C223 D227 E228	C223-T225 PolarHBondContact O-N 2.6Å; C223-T225 VanDerWaalsContact O-N 3.15Å; T225-D227 PolarHBondContact O-N 3.25Å; T225-E228 PolarHBondContact O-N 3.37Å
226	I	27.5	Very low	26.8	Very low	143 Å²	143	118.3 Å²	118.3	73%	0.733	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	14	-176.7	-65.7	166.6	0	0	0	112.8	M224	M224-I226 PolarHBondContact O-N 3Å
227	D	28.1	Very low	26.7	Very low	114 Å²	114	120.5 Å²	120.5	61%	0.61	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-3.6	171.5	-90.1	-39	0	0	0	114.3	T225 R285	T225-D227 PolarHBondContact O-N 3.25Å; D227-R285 IonicContact OD1-NH2 3.4Å; D227-R285 PolarHBondContact OD1-NH2 3.2Å
228	E	27.6	Very low	26.5	Very low	103 Å²	103	125.6 Å²	125.6	48%	0.481	67%	0.673	S	S	.	*	S	Bend	trans	-114.9	5.6	-176.6	-67.4	-176.9	-173.8	0	0	115	R163 M224 T225	R163-E228 IonicContact CZ-OE1 3.44Å; R163-E228 IonicContact NH1-OE1 2.63Å; R163-E228 PolarHBondContact NH1-OE1 3.26Å; R163-E228 IonicContact NH1-OE2 3.51Å; R163-E228 IonicContact NH2-OE1 3.35Å; R163-E228 PolarHBondContact NH2-OE1 2.96Å; M224-E228 HydrophobicContact CE-CB 3.88Å; T225-E228 PolarHBondContact O-N 3.37Å
229	C	26.8	Very low	26.4	Very low	80 Å²	80	123.9 Å²	123.9	54%	0.541	67%	0.671	S	S	.	*	S	Bend	trans	-101	111.4	166.3	-69.1	0	0	0	0	108.7	M224	M224-C229 WeakPolarHBondContact CE-SG 3.33Å
230	L	26.1	Very low	26.4	Very low	165 Å²	165	122.1 Å²	122.1	86%	0.864	68%	0.675	S	S	*	*			trans	133	63.7	161.7	-70	159	0	0	0	111.7
231	D	25.9	Very low	26.2	Very low	171 Å²	171	121.4 Å²	121.4	91%	0.914	68%	0.678	S	S	*	*			trans	-125.6	46.5	153.5	-140	4.1	0	0	0	108.6
232	I	26.5	Very low	26.1	Very low	158 Å²	158	123.8 Å²	123.8	81%	0.81	68%	0.684	S	S	*	*	S	Bend	trans	-114.1	95.7	178.5	-47.4	175.8	0	0	0	107.4
233	G	25.6	Very low	25.9	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	69%	0.693	S	S	*	*			trans	61.8	107.7	149.3	0	0	0	0	0	118.1	P235	G233-P235 WeakPolarHBondContact O-CD 3.32Å
234	K	23.8	Very low	25.8	Very low	209 Å²	209	129.2 Å²	129.2	91%	0.909	71%	0.71	S	S	*	*			trans	-55.1	139.2	159.8	-68.3	174.3	176.3	176.2	0	110.6
235	P	25	Very low	25.8	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	72%	0.724	S	S	*	*				-129.8	123.8	128.4	15.2	5.4	0	0	0	111.9	G233	G233-P235 WeakPolarHBondContact O-CD 3.32Å
236	N	25.1	Very low	25.5	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	74%	0.738	S	S	*	*			trans	31.4	107.9	147.2	-65.2	-19.8	0	0	0	119
237	I	23.7	Very low	25.4	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	74%	0.738	S	S	*	*				54.9	95.6	97	-55.3	164.2	0	0	0	112.6
238	I	23.9	Very low	25.3	Very low	170 Å²	170	138.4 Å²	138.4	87%	0.872	75%	0.749	S	S	*	*			trans	-145.1	106.6	132.7	-54.6	-175.8	0	0	0	107.4
239	S	24.6	Very low	25.2	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	76%	0.756	S	S	*	*			trans	-93	169.8	153.2	-150	0	0	0	0	106.3
240	P	28	Very low	25	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	77%	0.77	S	S	*	*			cis	-146.8	-158.7	23.6	37.5	-12	0	0	0	114
241	S	23.6	Very low	24.9	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	77%	0.773	S	S	*	*			trans	79.3	121.7	177	68.6	0	0	0	0	113.8
242	F	25	Very low	24.9	Very low	177 Å²	177	137.3 Å²	137.3	78%	0.776	77%	0.765	S	S	*	*			cis	-144.9	127	42.4	-77.4	-101.2	0	0	0	109
243	I	24.8	Very low	24.7	Very low	136 Å²	136	141.4 Å²	141.4	70%	0.697	77%	0.77	S	S	*	*				63.6	120.3	87.2	-64.2	175.4	0	0	0	110.1
244	L	26.3	Very low	24.8	Very low	150 Å²	150	144.5 Å²	144.5	79%	0.785	78%	0.776	S	S	*	*			cis	-147.9	135.1	22.1	-87.7	128.8	0	0	0	109.3
245	E	24.9	Very low	24.8	Very low	154 Å²	154	140.9 Å²	140.9	72%	0.72	77%	0.771	S	S	*	*				40.2	112.5	101.1	-67.7	-159	168.5	0	0	117.6
246	E	23.6	Very low	24.8	Very low	169 Å²	169	140.9 Å²	140.9	79%	0.79	77%	0.772	S	S	*	*				72.2	122.1	122.1	-64.1	-171.2	164	0	0	112.8
247	D	25.2	Very low	24.7	Very low	136 Å²	136	142 Å²	142	73%	0.727	78%	0.776	S	S	*	*				-174.8	162.3	71.8	-154	-11.5	0	0	0	110	G249	D247-G249 PolarHBondContact O-N 3.46Å
248	N	25.5	Very low	24.9	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	77%	0.774	S	S	*	*			trans	-40.1	114.6	-176.3	-63.3	-67.1	0	0	0	116.1
249	G	25	Very low	25.1	Very low	62 Å²	62	139.3 Å²	139.3	64%	0.639	77%	0.768	S	S	*	*			trans	-176.2	115.6	172.9	0	0	0	0	0	114.5	D247 L251	D247-G249 PolarHBondContact O-N 3.46Å; G249-L251 PolarHBondContact O-N 3.21Å
250	T	23.4	Very low	25.1	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	77%	0.773	S	S	*	*			trans	-13.9	111	163.3	-3.6	0	0	0	0	115.9	T252	T250-T252 PolarHBondContact O-N 3.1Å
251	L	24.4	Very low	25.2	Very low	176 Å²	176	144 Å²	144	92%	0.921	78%	0.784	S	S	*	*			trans	-80.5	80.3	175.8	-153.6	88	0	0	0	110.5	G249	G249-L251 PolarHBondContact O-N 3.21Å
252	T	24.4	Very low	25.4	Very low	121 Å²	121	147.6 Å²	147.6	74%	0.742	79%	0.791	S	S	*	*			trans	-72.7	121.5	163.3	22.8	0	0	0	0	109.5	T250	T250-T252 PolarHBondContact O-N 3.1Å
253	R	23.8	Very low	25.5	Very low	244 Å²	244	145.3 Å²	145.3	92%	0.921	79%	0.787	S	S	*	*			trans	-82.5	110.9	-179.8	178.4	-179.7	157	177.4	-5	109.4
254	T	27.5	Very low	25.6	Very low	133 Å²	133	145.4 Å²	145.4	82%	0.816	79%	0.788	S	S	*	*			trans	-107.3	138	168.6	21.4	0	0	0	0	111.9
255	T	24.1	Very low	25.7	Very low	132 Å²	132	143.9 Å²	143.9	81%	0.81	79%	0.786	S	S	*	*			trans	-69.5	158.2	-173.4	-8.2	0	0	0	0	113.7
256	P	24.6	Very low	25.8	Very low	116 Å²	116	142.3 Å²	142.3	75%	0.753	79%	0.787	S	S	*	*			trans	-117	110.2	150	27.4	-11.2	0	0	0	112.1
257	I	23.1	Very low	26.1	Very low	163 Å²	163	139.9 Å²	139.9	84%	0.836	78%	0.784	S	S	*	*			trans	36.1	116.9	132.2	-48.8	166.5	0	0	0	118
258	S	27.8	Very low	26.2	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	79%	0.787	S	S	*	*			trans	-143	114	138.1	-130.7	0	0	0	0	108.7
259	E	27.6	Very low	26.4	Very low	160 Å²	160	139.6 Å²	139.6	75%	0.748	79%	0.787	S	S	*	*			trans	51.1	100.3	145.1	-64.7	164.6	167.1	0	0	118.1
260	L	24.5	Very low	26.6	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	80%	0.798	S	S	*	*				58.5	100.4	96.8	-80.7	159.9	0	0	0	114.1
261	T	30.2	Very low	26.8	Very low	150 Å²	150	140.7 Å²	140.7	92%	0.92	79%	0.789	S	S	*	*				-164.4	129.9	112.3	25.9	0	0	0	0	110.1
262	E	27	Very low	27.1	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	78%	0.783	S	S	*	*			trans	-70.6	153.8	178.7	-88.7	174.8	151.9	0	0	113.9
263	N	27.4	Very low	27.4	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	79%	0.788	S	S	*	*			trans	107.5	123.6	144.6	-61.7	-26.9	0	0	0	119.5
264	D	27.8	Very low	28.1	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	78%	0.78	S	S	*	*			trans	83.5	87.8	148.4	-61.3	-29.3	0	0	0	120.1
265	T	27.5	Very low	28.5	Very low	119 Å²	119	129.8 Å²	129.8	73%	0.73	76%	0.76	S	S	*	*				35.3	93.7	113.6	-29.2	0	0	0	0	115.9
266	T	27	Very low	29	Very low	120 Å²	120	127 Å²	127	74%	0.736	74%	0.744	S	S	*	*				162.6	146.7	115.9	37.5	0	0	0	0	112
267	T	29.8	Very low	29.3	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	73%	0.729	S	S	*	*			trans	75.2	102.5	155	40.9	0	0	0	0	120.2
268	N	28.1	Very low	29.9	Very low	150 Å²	150	123.7 Å²	123.7	80%	0.802	71%	0.711	S	S	*	*				41.3	107.8	127.6	-63.9	-11.7	0	0	0	118
269	T	29.8	Very low	30.2	Very low	136 Å²	136	122.5 Å²	122.5	83%	0.834	70%	0.702	S	S	*	*				-179.3	105.7	121.8	-63.4	0	0	0	0	108.6	A271	T269-A271 PolarHBondContact O-N 3.05Å
270	T	29.6	Very low	30.7	Very low	142 Å²	142	116.8 Å²	116.8	87%	0.871	68%	0.676	S	S	*	*			trans	-71.4	89.1	169.3	18.3	0	0	0	0	110	T272	T270-T272 PolarHBondContact O-N 3.34Å
271	A	26.3	Very low	31	Very low	79 Å²	79	112.3 Å²	112.3	65%	0.653	67%	0.668	S	S	*	*			trans	-81	92.1	164.8	0	0	0	0	0	109	T269 T273	T269-A271 PolarHBondContact O-N 3.05Å; A271-T273 PolarHBondContact O-N 3.19Å
272	T	31.8	Very low	31.3	Very low	127 Å²	127	108.8 Å²	108.8	78%	0.779	64%	0.643	S	S	*	*			trans	-63.2	96	167.7	27.7	0	0	0	0	109.4	T270 T274	T270-T272 PolarHBondContact O-N 3.34Å; T272-T274 PolarHBondContact O-N 2.77Å; T272-T274 VanDerWaalsContact O-N 3.14Å
273	T	31.4	Very low	31.8	Very low	138 Å²	138	110.5 Å²	110.5	85%	0.847	65%	0.648	S	S	*	*			trans	-72.8	99.8	170.7	7.4	0	0	0	0	108.2	A271 S275	A271-T273 PolarHBondContact O-N 3.19Å; T273-S275 PolarHBondContact O-N 2.79Å; T273-S275 VanDerWaalsContact O-N 3.07Å
274	T	36.6	Very low	32.4	Very low	123 Å²	123	112.5 Å²	112.5	76%	0.755	65%	0.65	S	S	*	*			trans	-68	103.6	173.6	25.9	0	0	0	0	109.3	T272	T272-T274 PolarHBondContact O-N 2.77Å; T272-T274 VanDerWaalsContact O-N 3.14Å
275	S	36.3	Very low	32.8	Very low	57 Å²	57	113.8 Å²	113.8	40%	0.399	65%	0.645	S	S	.	*			trans	-53.3	129.9	171.2	172.5	0	0	0	0	109.6	T273 Y277 K298	T273-S275 PolarHBondContact O-N 2.79Å; T273-S275 VanDerWaalsContact O-N 3.07Å; S275-Y277 PolarHBondContact O-N 3.09Å; S275-Y277 VanDerWaalsContact O-N 3.11Å; S275-Y277 PolarHBondContact OG-N 2.91Å; S275-Y277 PolarHBondContact OG-O 3.17Å; S275-K298 WeakPolarHBondContact O-CD 3.39Å; S275-K298 VanDerWaalsContact O-CE 3.29Å; S275-K298 WeakPolarHBondContact O-CE 3.29Å; S275-K298 PolarHBondContact O-NZ 3.17Å
276	P	34.7	Very low	33.7	Very low	73 Å²	73	118.7 Å²	118.7	47%	0.474	66%	0.656	S	S	.	*	S	Bend	trans	-72.7	5.6	175.2	29.7	-32.1	0	0	0	112	P297 K298	P276-P297 CarbonylContact O-C 3.43Å; P276-P297 VanDerWaalsContact O-CA 3.23Å; P276-P297 WeakPolarHBondContact O-CA 3.22Å; P276-K298 PolarHBondContact O-N 2.82Å
277	Y	32.2	Very low	34.2	Very low	111 Å²	111	118.9 Å²	118.9	44%	0.435	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	144.7	-179.7	-57.3	-89.6	0	0	0	112.3	S275 L295 I296 P297 K298	S275-Y277 PolarHBondContact O-N 3.09Å; S275-Y277 VanDerWaalsContact O-N 3.11Å; S275-Y277 PolarHBondContact OG-N 2.91Å; S275-Y277 PolarHBondContact OG-O 3.17Å; Y277-L295 HydrophobicContact CD1-CB 4.32Å; Y277-L295 HydrophobicContact CG-CB 4.31Å; Y277-I296 CarbonylContact C-O 3.57Å; Y277-I296 VanDerWaalsContact CA-O 3.22Å; Y277-I296 WeakPolarHBondContact CA-O 3.42Å; Y277-P297 HydrophobicContact CD1-CB 4.48Å; Y277-P297 HydrophobicContact CD1-CG 4.01Å; Y277-P297 HydrophobicContact CE1-CB 4.48Å; Y277-P297 HydrophobicContact CE1-CG 3.76Å; Y277-K298 WeakPolarHBondContact O-CE 3.48Å
278	E	34.3	Very low	34.4	Very low	99 Å²	99	117 Å²	117	46%	0.463	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	134.5	170.9	-172.9	-179.7	-176.2	0	0	108.8	L295 I296 K298	E278-L295 CarbonylContact O-C 3.58Å; E278-L295 WeakPolarHBondContact O-CA 3.19Å; E278-I296 PolarHBondContact N-O 2.94Å; E278-I296 PolarHBondContact O-N 3.11Å; E278-K298 HydrophobicContact CB-CG 4.17Å
279	C	35.5	Very low	34.8	Very low	79 Å²	79	118.4 Å²	118.4	53%	0.534	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	126.1	175.7	177.8	0	0	0	0	109.5	C293 E294 L295	C279-C293 WeakPolarHBondContact SG-CB 3.23Å; C279-E294 CarbonylContact C-O 3.47Å; C279-E294 WeakPolarHBondContact CA-O 3.37Å; C279-L295 HydrophobicContact CB-CD2 4.33Å
280	I	37	Very low	34.9	Very low	40 Å²	40	116.6 Å²	116.6	21%	0.205	64%	0.637	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	175.1	-69.4	149.7	0	0	0	109.2	C293 E294 I296	I280-C293 WeakPolarHBondContact O-CA 3.4Å; I280-E294 PolarHBondContact N-O 3.1Å; I280-E294 PolarHBondContact O-N 3.09Å; I280-E294 VanDerWaalsContact O-N 3.14Å; I280-I296 HydrophobicContact CD1-CB 3.98Å; I280-I296 HydrophobicContact CD1-CD1 3.17Å; I280-I296 HydrophobicContact CD1-CG1 3.59Å
281	G	30.8	Very low	35.1	Very low	63 Å²	63	114.2 Å²	114.2	65%	0.649	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.9	125.5	176.4	0	0	0	0	0	111.5	N292	G281-N292 WeakPolarHBondContact CA-O 3.3Å
282	L	36.4	Very low	35.4	Very low	76 Å²	76	113.6 Å²	113.6	40%	0.398	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-91	145.2	170.1	-63.8	176.2	0	0	0	109.6	K284 N292 E294	L282-K284 PolarHBondContact O-N 3.46Å; L282-K284 VanDerWaalsContact O-N 3.11Å; L282-N292 PolarHBondContact N-O 3.37Å; L282-E294 HydrophobicContact CD1-CG 4Å
283	K	38.1	Very low	35.3	Very low	203 Å²	203	110.8 Å²	110.8	88%	0.883	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59.1	117.1	173.6	-80.1	-176	175.1	-179.3	0	109	R285	K283-R285 PolarHBondContact O-N 3.4Å; K283-R285 VanDerWaalsContact O-N 3.1Å
284	K	39.3	Very low	35.6	Very low	171 Å²	171	109.5 Å²	109.5	74%	0.743	58%	0.579	S	S	*	*			trans	-46	114.6	174.5	-97.7	-176.6	176.1	-176.3	0	110.2	L282 N292	L282-K284 PolarHBondContact O-N 3.46Å; L282-K284 VanDerWaalsContact O-N 3.11Å; K284-N292 WeakPolarHBondContact CA-OD1 3.47Å; K284-N292 VanDerWaalsContact CE-ND2 3.32Å; K284-N292 WeakPolarHBondContact CE-ND2 3.37Å; K284-N292 VanDerWaalsContact CG-CG 3.47Å; K284-N292 VanDerWaalsContact CG-ND2 3.3Å; K284-N292 WeakPolarHBondContact CG-ND2 3.32Å; K284-N292 WeakPolarHBondContact CG-OD1 3.39Å
285	R	37.3	Very low	35.3	Very low	165 Å²	165	109.2 Å²	109.2	62%	0.623	57%	0.572	S	S	*	*			trans	-89.8	126	168.2	-66.5	-175	-177.5	175.7	9.1	107.6	D227 K283 T287	D227-R285 IonicContact OD1-NH2 3.4Å; D227-R285 PolarHBondContact OD1-NH2 3.2Å; K283-R285 PolarHBondContact O-N 3.4Å; K283-R285 VanDerWaalsContact O-N 3.1Å; R285-T287 PolarHBondContact O-N 2.99Å
286	K	45.2	Very low	35.2	Very low	222 Å²	222	108.7 Å²	108.7	97%	0.965	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-5.5	-176.4	-76.3	-174.8	174.1	-175.9	0	114.4
287	T	37.5	Very low	35	Very low	123 Å²	123	107.7 Å²	107.7	76%	0.755	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	2.2	-161.9	41.4	0	0	0	0	114.7	R285	R285-T287 PolarHBondContact O-N 2.99Å
288	V	35	Very low	35.2	Very low	81 Å²	81	107.9 Å²	107.9	49%	0.491	56%	0.561	S	S	.	*			trans	-147.3	130.5	179.7	-149.3	0	0	0	0	110.4	I290	V288-I290 HydrophobicContact CB-CD1 3.67Å; V288-I290 HydrophobicContact CB-CG1 3.73Å; V288-I290 HydrophobicContact CG1-CD1 3.6Å; V288-I290 HydrophobicContact CG1-CG1 3.49Å; V288-I290 VanDerWaalsContact CG1-CG1 3.49Å; V288-I290 HydrophobicContact CG2-CD1 4.1Å; V288-I290 PolarHBondContact O-N 3.24Å
289	N	36.9	Very low	35.3	Very low	179 Å²	179	111.6 Å²	111.6	96%	0.957	58%	0.578	S	S	*	*			trans	-68.6	50.5	168.3	-89.1	-17	0	0	0	111.1
290	I	31.6	Very low	35.1	Very low	97 Å²	97	111.8 Å²	111.8	50%	0.497	57%	0.573	S	S	.	*			trans	-87.8	132.4	173.5	-64.5	167.8	0	0	0	107.4	V288 N292	V288-I290 HydrophobicContact CB-CD1 3.67Å; V288-I290 HydrophobicContact CB-CG1 3.73Å; V288-I290 HydrophobicContact CG1-CD1 3.6Å; V288-I290 HydrophobicContact CG1-CG1 3.49Å; V288-I290 VanDerWaalsContact CG1-CG1 3.49Å; V288-I290 HydrophobicContact CG2-CD1 4.1Å; V288-I290 PolarHBondContact O-N 3.24Å; I290-N292 PolarHBondContact O-N 2.77Å
291	P	32.6	Very low	34.9	Very low	92 Å²	92	114 Å²	114	60%	0.597	59%	0.585	S	S	*	*			trans	-51.8	126.5	172.1	-23.4	31.8	0	0	0	110.9	C293	P291-C293 PolarHBondContact O-N 3.48Å
292	N	33.1	Very low	35	Very low	67 Å²	67	117.8 Å²	117.8	36%	0.358	58%	0.58	S	S	.	*	S	Bend	trans	-71.6	20.3	-178.2	-69.3	-52.4	0	0	0	113.9	G281 L282 K284 I290	G281-N292 WeakPolarHBondContact CA-O 3.3Å; L282-N292 PolarHBondContact N-O 3.37Å; K284-N292 WeakPolarHBondContact CA-OD1 3.47Å; K284-N292 VanDerWaalsContact CE-ND2 3.32Å; K284-N292 WeakPolarHBondContact CE-ND2 3.37Å; K284-N292 VanDerWaalsContact CG-CG 3.47Å; K284-N292 VanDerWaalsContact CG-ND2 3.3Å; K284-N292 WeakPolarHBondContact CG-ND2 3.32Å; K284-N292 WeakPolarHBondContact CG-OD1 3.39Å; I290-N292 PolarHBondContact O-N 2.77Å
293	C	30.4	Very low	34.7	Very low	67 Å²	67	124 Å²	124	45%	0.453	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.4	133.3	-171.2	52.6	0	0	0	0	112.3	C279 I280 P291	C279-C293 WeakPolarHBondContact SG-CB 3.23Å; I280-C293 WeakPolarHBondContact O-CA 3.4Å; P291-C293 PolarHBondContact O-N 3.48Å
294	E	36	Very low	34.4	Very low	111 Å²	111	118.6 Å²	118.6	52%	0.519	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.8	144.4	167.1	-72.9	-176.6	171.5	0	0	110.6	C279 I280 L282	C279-E294 CarbonylContact C-O 3.47Å; C279-E294 WeakPolarHBondContact CA-O 3.37Å; I280-E294 PolarHBondContact N-O 3.1Å; I280-E294 PolarHBondContact O-N 3.09Å; I280-E294 VanDerWaalsContact O-N 3.14Å; L282-E294 HydrophobicContact CD1-CG 4Å
295	L	31.1	Very low	34.1	Very low	118 Å²	118	117.9 Å²	117.9	62%	0.618	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	120.6	176.1	-74.6	169.3	0	0	0	110	Y277 E278 C279	Y277-L295 HydrophobicContact CD1-CB 4.32Å; Y277-L295 HydrophobicContact CG-CB 4.31Å; E278-L295 CarbonylContact O-C 3.58Å; E278-L295 WeakPolarHBondContact O-CA 3.19Å; C279-L295 HydrophobicContact CB-CD2 4.33Å
296	I	33.4	Very low	33.8	Very low	46 Å²	46	116.4 Å²	116.4	24%	0.236	58%	0.577	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	136.2	-179.8	-55.4	-166.6	0	0	0	110.4	Y277 E278 I280 K298 I300	Y277-I296 CarbonylContact C-O 3.57Å; Y277-I296 VanDerWaalsContact CA-O 3.22Å; Y277-I296 WeakPolarHBondContact CA-O 3.42Å; E278-I296 PolarHBondContact N-O 2.94Å; E278-I296 PolarHBondContact O-N 3.11Å; I280-I296 HydrophobicContact CD1-CB 3.98Å; I280-I296 HydrophobicContact CD1-CD1 3.17Å; I280-I296 HydrophobicContact CD1-CG1 3.59Å; I296-K298 PolarHBondContact O-N 2.87Å; I296-I300 HydrophobicContact CG2-CD1 4.12Å
297	P	31.6	Very low	33.1	Very low	52 Å²	52	114.1 Å²	114.1	34%	0.338	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-57.1	125.8	178.9	-23.1	31.1	0	0	0	113.7	P276 Y277 Q299 I300	P276-P297 CarbonylContact O-C 3.43Å; P276-P297 VanDerWaalsContact O-CA 3.23Å; P276-P297 WeakPolarHBondContact O-CA 3.22Å; Y277-P297 HydrophobicContact CD1-CB 4.48Å; Y277-P297 HydrophobicContact CD1-CG 4.01Å; Y277-P297 HydrophobicContact CE1-CB 4.48Å; Y277-P297 HydrophobicContact CE1-CG 3.76Å; P297-Q299 PolarHBondContact O-N 2.87Å; P297-Q299 VanDerWaalsContact O-N 3.1Å; P297-I300 HydrophobicContact CB-CG1 4.44Å; P297-I300 PolarHBondContact O-N 3.14Å; P297-I300 VanDerWaalsContact O-N 3.08Å
298	K	36.1	Very low	32.8	Very low	114 Å²	114	114.5 Å²	114.5	50%	0.496	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.5	-22.9	174.6	-72.6	179.3	178.9	164.5	0	113.4	S275 P276 Y277 E278 I296 I300	S275-K298 WeakPolarHBondContact O-CD 3.39Å; S275-K298 VanDerWaalsContact O-CE 3.29Å; S275-K298 WeakPolarHBondContact O-CE 3.29Å; S275-K298 PolarHBondContact O-NZ 3.17Å; P276-K298 PolarHBondContact O-N 2.82Å; Y277-K298 WeakPolarHBondContact O-CE 3.48Å; E278-K298 HydrophobicContact CB-CG 4.17Å; I296-K298 PolarHBondContact O-N 2.87Å; K298-I300 VanDerWaalsContact C-N 3.26Å; K298-I300 PolarHBondContact O-N 3.13Å
299	Q	35.9	Very low	32.5	Very low	178 Å²	178	118.8 Å²	118.8	83%	0.832	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.6	179.1	-74.4	179.6	-11.4	0	0	113.8	P297 N301	P297-Q299 PolarHBondContact O-N 2.87Å; P297-Q299 VanDerWaalsContact O-N 3.1Å; Q299-N301 PolarHBondContact O-N 2.93Å
300	I	32.5	Very low	32.2	Very low	83 Å²	83	119.1 Å²	119.1	43%	0.426	56%	0.561	S	S	.	*	S	Bend	trans	-77.1	83	167.1	-56	176.3	0	0	0	106.8	I296 P297 K298 R302	I296-I300 HydrophobicContact CG2-CD1 4.12Å; P297-I300 HydrophobicContact CB-CG1 4.44Å; P297-I300 PolarHBondContact O-N 3.14Å; P297-I300 VanDerWaalsContact O-N 3.08Å; K298-I300 VanDerWaalsContact C-N 3.26Å; K298-I300 PolarHBondContact O-N 3.13Å; I300-R302 VanDerWaalsContact C-N 3.26Å; I300-R302 PolarHBondContact O-N 2.99Å
301	N	31.9	Very low	32.1	Very low	85 Å²	85	122.4 Å²	122.4	46%	0.455	57%	0.568	S	S	.	*			trans	-64.1	87.8	177.1	-162.3	-21.3	0	0	0	108.8	Q299 Y303 N304	Q299-N301 PolarHBondContact O-N 2.93Å; N301-Y303 PolarHBondContact O-N 3.08Å; N301-N304 HydrophobicContact CB-CB 4.33Å; N301-N304 PolarHBondContact ND2-ND2 3.1Å; N301-N304 PolarHBondContact O-N 2.77Å
302	R	32.9	Very low	32	Very low	144 Å²	144	123.6 Å²	123.6	54%	0.543	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.4	-18.8	-175.9	-76.4	178.2	164.3	178.3	-7.9	113.1	I300	I300-R302 VanDerWaalsContact C-N 3.26Å; I300-R302 PolarHBondContact O-N 2.99Å
303	Y	31.1	Very low	31.8	Very low	207 Å²	207	127.6 Å²	127.6	81%	0.812	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-24.3	179.2	-75.9	-86.2	0	0	0	115	N301	N301-Y303 PolarHBondContact O-N 3.08Å
304	N	32.2	Very low	31.6	Very low	88 Å²	88	131.1 Å²	131.1	47%	0.471	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	-13.7	-177.6	-81.1	-24.4	0	0	0	114.5	N301 H306 K307	N301-N304 HydrophobicContact CB-CB 4.33Å; N301-N304 PolarHBondContact ND2-ND2 3.1Å; N301-N304 PolarHBondContact O-N 2.77Å; N304-H306 PolarHBondContact O-N 3.28Å; N304-H306 VanDerWaalsContact O-N 3.13Å; N304-K307 PolarHBondContact O-N 2.71Å; N304-K307 VanDerWaalsContact O-N 3.17Å
305	F	31.3	Very low	31.1	Very low	157 Å²	157	131.6 Å²	131.6	69%	0.689	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-21.3	176.7	-124.2	-90.2	0	0	0	113.2
306	H	31.9	Very low	30.9	Very low	133 Å²	133	135.4 Å²	135.4	62%	0.616	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-20.7	178.7	-84.1	50.2	0	0	0	114.1	N304 R309	N304-H306 PolarHBondContact O-N 3.28Å; N304-H306 VanDerWaalsContact O-N 3.13Å; H306-R309 WeakPolarHBondContact O-CB 3.4Å
307	K	30.9	Very low	30.6	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-22.2	-174.7	-122.9	178.1	-177.7	178.5	0	114.2	N304	N304-K307 PolarHBondContact O-N 2.71Å; N304-K307 VanDerWaalsContact O-N 3.17Å
308	H	31.2	Very low	30.3	Very low	132 Å²	132	147.1 Å²	147.1	61%	0.611	68%	0.679	S	S	*	*	S	Bend	trans	-92.4	2.4	177.4	-67.1	-68.6	0	0	0	114.1	K310 Y311	H308-K310 PolarHBondContact O-N 2.89Å; H308-K310 VanDerWaalsContact O-N 3.09Å; H308-Y311 PolarHBondContact O-N 3.42Å
309	R	28.5	Very low	29.8	Very low	170 Å²	170	147.7 Å²	147.7	64%	0.642	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-18.3	-178.3	-146.3	173.4	176	173.8	-3.3	114	H306	H306-R309 WeakPolarHBondContact O-CB 3.4Å
310	K	29.6	Very low	29.3	Very low	186 Å²	186	145.2 Å²	145.2	81%	0.809	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-12.5	178.1	-106.5	-176.4	177.8	-178.1	0	115.1	H308	H308-K310 PolarHBondContact O-N 2.89Å; H308-K310 VanDerWaalsContact O-N 3.09Å
311	Y	29.8	Very low	29	Very low	167 Å²	167	147.6 Å²	147.6	66%	0.655	71%	0.708	S	S	*	*	S	Bend	trans	-112.3	-3.1	-171.8	-63.1	-74.9	0	0	0	114.8	H308	H308-Y311 PolarHBondContact O-N 3.42Å
312	V	30.6	Very low	28.8	Very low	116 Å²	116	153.8 Å²	153.8	70%	0.703	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-17.2	-174.1	-175.1	0	0	0	0	112.7
313	N	29.1	Very low	28.6	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	11.3	-179.5	-72.7	-6.7	0	0	0	114.4
314	Q	27	Very low	28.5	Very low	142 Å²	142	150.3 Å²	150.3	66%	0.664	73%	0.731	S	S	*	*	S	Bend	trans	-91.9	129.5	168.3	-81.2	-173.6	-8.4	0	0	109.4	F316	Q314-F316 PolarHBondContact O-N 3.5Å; Q314-F316 VanDerWaalsContact O-N 3.12Å
315	P	25.7	Very low	28.5	Very low	120 Å²	120	152 Å²	152	78%	0.779	75%	0.745	S	S	*	*			trans	-55.6	125.4	167.3	23.7	-30.7	0	0	0	107.4	K317	P315-K317 VanDerWaalsContact C-N 3.25Å; P315-K317 PolarHBondContact O-N 3.11Å
316	F	26.5	Very low	28.7	Very low	199 Å²	199	151.8 Å²	151.8	87%	0.873	75%	0.751	S	S	*	*			trans	-57	96.9	167.1	-89	-91.1	0	0	0	107.2	Q314 L318	Q314-F316 PolarHBondContact O-N 3.5Å; Q314-F316 VanDerWaalsContact O-N 3.12Å; F316-L318 VanDerWaalsContact C-N 3.26Å; F316-L318 PolarHBondContact O-N 2.72Å
317	K	25.7	Very low	28.7	Very low	188 Å²	188	151.8 Å²	151.8	82%	0.817	76%	0.76	S	S	*	*			trans	-66.3	99.2	160.4	-125.6	179.4	-177.5	179.4	0	104.1	P315 T319	P315-K317 VanDerWaalsContact C-N 3.25Å; P315-K317 PolarHBondContact O-N 3.11Å; K317-T319 PolarHBondContact O-N 3.17Å
318	L	25.6	Very low	28.8	Very low	155 Å²	155	151.7 Å²	151.7	81%	0.812	77%	0.767	S	S	*	*			trans	-60.3	88.3	167.4	-94.3	147.7	0	0	0	107.4	F316 T320	F316-L318 VanDerWaalsContact C-N 3.26Å; F316-L318 PolarHBondContact O-N 2.72Å; L318-T320 VanDerWaalsContact C-N 3.27Å; L318-T320 PolarHBondContact O-N 3.36Å
319	T	25.1	Very low	29.2	Very low	127 Å²	127	155.1 Å²	155.1	78%	0.779	78%	0.78	S	S	*	*			trans	-71.9	91.2	161.7	14.7	0	0	0	0	106.6	K317 T321	K317-T319 PolarHBondContact O-N 3.17Å; T319-T321 PolarHBondContact O-N 3.08Å
320	T	26.6	Very low	29.5	Very low	126 Å²	126	158.4 Å²	158.4	77%	0.773	79%	0.793	S	S	*	*			trans	-64.7	98.2	163.8	20.9	0	0	0	0	108.5	L318 R322	L318-T320 VanDerWaalsContact C-N 3.27Å; L318-T320 PolarHBondContact O-N 3.36Å; T320-R322 PolarHBondContact O-N 3.07Å
321	T	26.9	Very low	29.7	Very low	132 Å²	132	155.2 Å²	155.2	81%	0.81	79%	0.791	S	S	*	*			trans	-66.3	101.3	159.2	3	0	0	0	0	107.1	T319 T323	T319-T321 PolarHBondContact O-N 3.08Å; T321-T323 PolarHBondContact O-N 2.86Å; T321-T323 VanDerWaalsContact O-N 3.09Å
322	R	27.4	Very low	30.5	Very low	215 Å²	215	152.2 Å²	152.2	81%	0.811	79%	0.786	S	S	*	*			trans	-75.2	93.1	173.8	-171.9	179.6	173.8	-173.3	-2.7	107.7	T320 Q324	T320-R322 PolarHBondContact O-N 3.07Å; R322-Q324 PolarHBondContact O-N 3.14Å
323	T	28.8	Very low	30.8	Very low	121 Å²	121	151.8 Å²	151.8	74%	0.742	79%	0.786	S	S	*	*			trans	-66.4	105.6	165.8	-18.3	0	0	0	0	107.2	T321 T325	T321-T323 PolarHBondContact O-N 2.86Å; T321-T323 VanDerWaalsContact O-N 3.09Å; T323-T325 PolarHBondContact O-N 2.91Å
324	Q	28	Very low	31.4	Very low	158 Å²	158	153.7 Å²	153.7	74%	0.738	79%	0.787	S	S	*	*			trans	-69.1	95.5	168.8	-69.6	-174.6	12.8	0	0	107.6	R322	R322-Q324 PolarHBondContact O-N 3.14Å
325	T	31.9	Very low	32.3	Very low	123 Å²	123	153.8 Å²	153.8	76%	0.755	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.8	116.1	162.7	47.7	0	0	0	0	108.1	T323	T323-T325 PolarHBondContact O-N 2.91Å
326	N	35.4	Very low	32.6	Very low	153 Å²	153	155.5 Å²	155.5	82%	0.818	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-48.6	135.3	178.7	-79.6	-37.8	0	0	0	112.4	L328	N326-L328 PolarHBondContact O-N 3.34Å
327	T	32.8	Very low	32.9	Very low	132 Å²	132	153.2 Å²	153.2	81%	0.81	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-57.6	116.5	179.9	43.7	0	0	0	0	113
328	L	33.7	Very low	33.3	Very low	173 Å²	173	151.3 Å²	151.3	91%	0.906	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-94.5	116.6	150.3	-141.2	83.1	0	0	0	107.2	N326 R330	N326-L328 PolarHBondContact O-N 3.34Å; L328-R330 PolarHBondContact O-N 3.02Å
329	K	38	Very low	33.8	Very low	203 Å²	203	151.1 Å²	151.1	88%	0.883	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-49.4	120.8	-176.2	-66.9	177.6	175.3	-177.9	0	111.1
330	R	35.3	Very low	34.3	Very low	240 Å²	240	152.6 Å²	152.6	91%	0.906	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.6	137	159.7	-105.6	-178.9	178	172.3	-0.8	108.1	L328	L328-R330 PolarHBondContact O-N 3.02Å
331	P	34.6	Very low	34.8	Very low	118 Å²	118	154.3 Å²	154.3	77%	0.766	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.1	143.5	176.2	8.7	2.8	0	0	0	110
332	D	45.6	Very low	35.4	Very low	105 Å²	105	155.9 Å²	155.9	56%	0.561	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68	125.6	176.4	-170	-17.7	0	0	0	109.8	F334 A335	D332-F334 PolarHBondContact O-N 2.99Å; D332-F334 PolarHBondContact OD1-N 3.28Å; D332-A335 HydrophobicContact CB-CB 3.81Å
333	P	36.9	Very low	36	Very low	106 Å²	106	151.4 Å²	151.4	69%	0.688	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	1.6	176.7	27.4	-30.6	0	0	0	114.3
334	F	41.9	Very low	36.6	Very low	192 Å²	192	153.9 Å²	153.9	84%	0.842	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	17.5	-178	-60	-77	0	0	0	114.5	D332	D332-F334 PolarHBondContact O-N 2.99Å; D332-F334 PolarHBondContact OD1-N 3.28Å
335	A	45.1	Very low	37.4	Very low	144 Å²	144	153.5 Å²	153.5	100%	1.19	83%	0.83	S	S	*	*			trans	-86.6	0	174.5	0	0	0	0	0	113.6	D332	D332-A335 HydrophobicContact CB-CB 3.81Å

Retrieved 335 of 335 residues in 190.3 ms (Link to these results)

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