A0A3Q0KCB7_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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	32.4	Very low	31.9	Very low	223 Å²	223	112.9 Å²	112.9	100%	1.099	62%	0.619	S	S	*	*				0	127.5	0	-72.4	175.1	167.2	0	0	108.9	R39	M1-R39 CarbonylContact C-O 3.11Å
2	G	27.8	Very low	32	Very low	49 Å²	49	116.4 Å²	116.4	51%	0.505	62%	0.624	S	S	.	*			trans	-170.8	128	168.6	0	0	0	0	0	114.8	R39 S40	G2-R39 WeakPolarHBondContact CA-O 3.13Å; G2-R39 PolarHBondContact N-O 3.29Å; G2-R39 VanDerWaalsContact N-O 3.16Å; G2-S40 WeakPolarHBondContact CA-O 3.28Å
3	N	27.6	Very low	32.3	Very low	18 Å²	18	112.5 Å²	112.5	10%	0.096	61%	0.612	C	S	.	*			trans	-82.4	112.4	-173.4	-75	-3.9	0	0	0	113.1	I5 Y38 R39 V41 Y203	N3-I5 HydrophobicContact CB-CG1 4.19Å; N3-Y38 VanDerWaalsContact OD1-C 3.25Å; N3-Y38 VanDerWaalsContact OD1-CA 3.26Å; N3-Y38 WeakPolarHBondContact OD1-CA 3.48Å; N3-Y38 WeakPolarHBondContact OD1-CB 3.19Å; N3-Y38 WeakPolarHBondContact OD1-CD1 3.42Å; N3-R39 VanDerWaalsContact CG-CA 3.47Å; N3-R39 WeakPolarHBondContact ND2-CA 3.29Å; N3-R39 VanDerWaalsContact OD1-C 3.25Å; N3-R39 WeakPolarHBondContact OD1-CA 3.33Å; N3-R39 PolarHBondContact OD1-N 3.43Å; N3-V41 VanDerWaalsContact O-CB 3.25Å; N3-V41 WeakPolarHBondContact O-CB 3.27Å; N3-V41 WeakPolarHBondContact O-CG1 3.03Å; N3-Y203 HydrophobicContact CB-CD1 3.69Å; N3-Y203 HydrophobicContact CB-CE1 3.92Å; N3-Y203 VanDerWaalsContact ND2-CE1 3.34Å; N3-Y203 WeakPolarHBondContact ND2-CE1 3.47Å
4	C	32.1	Very low	32.5	Very low	86 Å²	86	109.4 Å²	109.4	58%	0.581	59%	0.591	S	S	*	*			trans	-116.4	57.9	162.1	-71.9	0	0	0	0	111.5
5	I	28.6	Very low	32.6	Very low	55 Å²	55	108.7 Å²	108.7	28%	0.282	60%	0.596	S	S	.	*			trans	22	112.8	136.4	-53.2	-160.8	0	0	0	117	N3 K202 Y203	N3-I5 HydrophobicContact CB-CG1 4.19Å; I5-K202 VanDerWaalsContact CD1-CA 3.48Å; I5-K202 HydrophobicContact CD1-CB 3.38Å; I5-K202 HydrophobicContact CD1-CD 4.31Å; I5-K202 HydrophobicContact CD1-CG 3.63Å; I5-K202 HydrophobicContact CG2-CB 4.12Å; I5-K202 HydrophobicContact CG2-CD 3.94Å; I5-K202 HydrophobicContact CG2-CG 4.31Å; I5-Y203 HydrophobicContact CD1-CD2 4.15Å; I5-Y203 HydrophobicContact CD1-CG 3.91Å
6	F	30.7	Very low	32.8	Very low	169 Å²	169	111.5 Å²	111.5	74%	0.741	60%	0.596	S	S	*	*			trans	-76.5	137.2	172.8	-93.2	-112.1	0	0	0	113.4	G8	F6-G8 PolarHBondContact O-N 2.81Å
7	A	35.1	Very low	32.6	Very low	89 Å²	89	106.5 Å²	106.5	74%	0.736	57%	0.572	S	S	*	*			trans	-78.3	100.2	163.2	0	0	0	0	0	109.7
8	G	30.9	Very low	32.5	Very low	47 Å²	47	107.9 Å²	107.9	49%	0.485	57%	0.574	S	S	.	*			trans	-107.4	18	-154.6	0	0	0	0	0	119.1	F6	F6-G8 PolarHBondContact O-N 2.81Å
9	K	34	Very low	32.4	Very low	204 Å²	204	111 Å²	111	89%	0.887	59%	0.59	S	S	*	*	S	Bend	trans	-105.7	-44	174.3	-81.9	-164.2	172	-170.5	0	114.9	L11	K9-L11 PolarHBondContact O-N 3.16Å
10	K	36.7	Very low	32.2	Very low	207 Å²	207	108.7 Å²	108.7	90%	0.9	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-25.4	180	-101.8	-172.8	175.6	-177.9	0	115
11	L	35.2	Very low	32.1	Very low	95 Å²	95	112.4 Å²	112.4	50%	0.497	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-19.4	-180	-89.2	163.6	0	0	0	114.7	K9 Q14	K9-L11 PolarHBondContact O-N 3.16Å; L11-Q14 PolarHBondContact O-N 2.87Å
12	F	32.7	Very low	32	Very low	155 Å²	155	106.7 Å²	106.7	68%	0.68	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-30.5	-164.8	-135	-87.2	0	0	0	114.5
13	S	36.6	Very low	32	Very low	66 Å²	66	116.4 Å²	116.4	46%	0.462	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-31	174.4	-173.6	0	0	0	0	112.4	C15 Y16 A478	S13-C15 PolarHBondContact O-N 3.07Å; S13-Y16 PolarHBondContact O-N 2.79Å; S13-A478 PolarHBondContact O-N 2.89Å
14	Q	35.1	Very low	32.2	Very low	68 Å²	68	124.7 Å²	124.7	32%	0.318	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-71.5	-34.3	-162.6	-143.3	174.7	42.9	0	0	114.2	L11 Y16 A478 K479	L11-Q14 PolarHBondContact O-N 2.87Å; Q14-Y16 VanDerWaalsContact C-N 3.33Å; Q14-Y16 PolarHBondContact O-N 3.47Å; Q14-A478 VanDerWaalsContact CA-O 3.32Å; Q14-A478 WeakPolarHBondContact CA-O 3.49Å; Q14-K479 PolarHBondContact O-N 3.24Å
15	C	34.3	Very low	32	Very low	99 Å²	99	125.8 Å²	125.8	67%	0.669	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-69.7	-26.8	-179.9	-61	0	0	0	0	113.5	S13 S17	S13-C15 PolarHBondContact O-N 3.07Å; C15-S17 PolarHBondContact O-N 2.84Å
16	Y	34.8	Very low	32.1	Very low	154 Å²	154	128.6 Å²	128.6	60%	0.604	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-81.6	-10.6	-154.3	-117.6	-75.9	0	0	0	115.9	S13 Q14 K477	S13-Y16 PolarHBondContact O-N 2.79Å; Q14-Y16 VanDerWaalsContact C-N 3.33Å; Q14-Y16 PolarHBondContact O-N 3.47Å; Y16-K477 HydrophobicContact CD1-CG 4.45Å; Y16-K477 WeakPolarHBondContact O-CD 3.25Å; Y16-K477 WeakPolarHBondContact O-CE 3.04Å
17	S	30	Very low	32	Very low	26 Å²	26	124.2 Å²	124.2	18%	0.182	67%	0.673	C	S	.	*	G	3₁₀ helix	trans	-104.3	2.2	-177.9	78.1	0	0	0	0	116.1	C15 L19 A478 K479	C15-S17 PolarHBondContact O-N 2.84Å; S17-L19 VanDerWaalsContact C-N 3.27Å; S17-L19 PolarHBondContact O-N 3.32Å; S17-A478 WeakPolarHBondContact OG-CA 3.21Å; S17-K479 VanDerWaalsContact O-CE 3.27Å; S17-K479 WeakPolarHBondContact O-CE 3.44Å; S17-K479 WeakPolarHBondContact OG-CD 3.21Å; S17-K479 VanDerWaalsContact OG-CE 3.28Å; S17-K479 WeakPolarHBondContact OG-CE 3.48Å; S17-K479 VanDerWaalsContact OG-CG 3.29Å; S17-K479 WeakPolarHBondContact OG-CG 3.43Å; S17-K479 PolarHBondContact OG-N 3.11Å; S17-K479 VanDerWaalsContact OG-N 3.13Å
18	H	29.9	Very low	31.9	Very low	133 Å²	133	127.5 Å²	127.5	62%	0.616	67%	0.674	S	S	*	*			trans	-80.4	-3.9	177.5	-111.7	-63.9	0	0	0	115.2	G20 K479	H18-G20 PolarHBondContact O-N 3.47Å; H18-K479 WeakPolarHBondContact CD2-CE 3.49Å; H18-K479 VanDerWaalsContact CD2-CG 3.48Å; H18-K479 WeakPolarHBondContact CD2-CG 3.19Å; H18-K479 VanDerWaalsContact NE2-CE 3.33Å; H18-K479 WeakPolarHBondContact NE2-CE 3.47Å
19	L	31.3	Very low	31.9	Very low	166 Å²	166	135.2 Å²	135.2	87%	0.869	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	21.1	176.9	-137	97.7	0	0	0	115	S17	S17-L19 VanDerWaalsContact C-N 3.27Å; S17-L19 PolarHBondContact O-N 3.32Å
20	G	29.5	Very low	31.6	Very low	64 Å²	64	131.7 Å²	131.7	66%	0.66	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-29.2	-170	0	0	0	0	0	116	H18	H18-G20 PolarHBondContact O-N 3.47Å
21	Q	29.4	Very low	31.4	Very low	188 Å²	188	127.5 Å²	127.5	88%	0.879	68%	0.68	S	S	*	*	S	Bend	trans	-150.1	101.3	-178	-72.1	-174.2	-6.5	0	0	112
22	S	30.7	Very low	30.9	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	69%	0.694	S	S	*	*			trans	175.7	119.4	142.4	-178	0	0	0	0	109.5	K24	S22-K24 PolarHBondContact O-N 3.46Å
23	R	26.4	Very low	30.8	Very low	252 Å²	252	130.7 Å²	130.7	95%	0.951	70%	0.703	S	S	*	*			trans	-87.9	97.2	165	-77	-177.8	175.1	177.6	-1.7	108.7
24	K	31.7	Very low	30.3	Very low	192 Å²	192	130.9 Å²	130.9	84%	0.835	72%	0.715	S	S	*	*			trans	-134.9	148.7	157.6	-70	-166.7	177.7	-176.6	0	109.7	S22	S22-K24 PolarHBondContact O-N 3.46Å
25	S	27.8	Very low	30.1	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	74%	0.744	S	S	*	*			trans	-64.6	148.1	-177.2	63.7	0	0	0	0	110.4
26	S	30.7	Very low	29.9	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	75%	0.749	S	S	*	*				55.7	94.5	52.5	-167	0	0	0	0	109.8
27	A	30.1	Very low	29.8	Very low	77 Å²	77	142.2 Å²	142.2	64%	0.636	76%	0.757	S	S	*	*	S	Bend	cis	-126.6	-175.5	47.4	0	0	0	0	0	114.8
28	E	32.5	Very low	30.2	Very low	158 Å²	158	149.3 Å²	149.3	74%	0.738	78%	0.782	S	S	*	*			trans	58.5	55	158	-69.2	160.7	-164.4	0	0	115.4	D30	E28-D30 WeakPolarHBondContact CA-OD1 3.38Å; E28-D30 HydrophobicContact CB-CB 4.43Å; E28-D30 PolarHBondContact O-N 3.41Å
29	F	30.2	Very low	30.4	Very low	210 Å²	210	151.5 Å²	151.5	92%	0.921	78%	0.784	S	S	*	*			trans	-65.3	59.3	144.9	-113.5	-91.6	0	0	0	109.9	C31	F29-C31 PolarHBondContact O-N 3.49Å
30	D	28.9	Very low	30.7	Very low	129 Å²	129	147.1 Å²	147.1	69%	0.69	77%	0.767	S	S	*	*			trans	-80	66.5	-171.1	-89.3	23.7	0	0	0	112.2	E28	E28-D30 WeakPolarHBondContact CA-OD1 3.38Å; E28-D30 HydrophobicContact CB-CB 4.43Å; E28-D30 PolarHBondContact O-N 3.41Å
31	C	30.8	Very low	31	Very low	119 Å²	119	144.9 Å²	144.9	80%	0.804	74%	0.741	S	S	*	*			trans	-120.1	37.6	155.9	-168.3	0	0	0	0	110	F29	F29-C31 PolarHBondContact O-N 3.49Å
32	L	26.1	Very low	31.5	Very low	150 Å²	150	142.3 Å²	142.3	79%	0.785	73%	0.727	S	S	*	*			trans	-77.4	142.8	147.2	-89.5	170.9	0	0	0	108.4
33	I	29.4	Very low	31.8	Very low	168 Å²	168	143 Å²	143	86%	0.862	73%	0.729	S	S	*	*			trans	68.9	125.4	-176.5	-45.6	169	0	0	0	112.7
34	G	27	Very low	32.4	Very low	69 Å²	69	141.1 Å²	141.1	71%	0.711	73%	0.728	S	S	*	*			cis	-166	159.4	-1.9	0	0	0	0	0	112.7	E36	G34-E36 PolarHBondContact O-N 3.13Å
35	K	30.3	Very low	32.7	Very low	215 Å²	215	140.7 Å²	140.7	94%	0.935	73%	0.726	S	S	*	*			trans	-79.8	98.8	179.2	-68.7	178.5	179.7	175	0	111
36	E	29.7	Very low	33.4	Very low	167 Å²	167	140.6 Å²	140.6	78%	0.78	71%	0.714	S	S	*	*			trans	-146.4	102.6	149.3	-127.5	178.6	171.8	0	0	117.6	G34	G34-E36 PolarHBondContact O-N 3.13Å
37	K	34.3	Very low	34.4	Very low	178 Å²	178	140.2 Å²	140.2	77%	0.774	71%	0.708	S	S	*	*			trans	35.4	94.9	146.3	-64.2	169.6	-174.9	155.6	0	120.2
38	Y	37.3	Very low	35.1	Very low	175 Å²	175	141.8 Å²	141.8	69%	0.686	70%	0.698	S	S	*	*			trans	-4.8	123.1	130.9	-71.1	-88.8	0	0	0	118.6	N3	N3-Y38 VanDerWaalsContact OD1-C 3.25Å; N3-Y38 VanDerWaalsContact OD1-CA 3.26Å; N3-Y38 WeakPolarHBondContact OD1-CA 3.48Å; N3-Y38 WeakPolarHBondContact OD1-CB 3.19Å; N3-Y38 WeakPolarHBondContact OD1-CD1 3.42Å
39	R	34.6	Very low	36	Very low	179 Å²	179	140.7 Å²	140.7	68%	0.675	70%	0.697	S	S	*	*			trans	-158.3	157	138.1	-127.9	-176.2	178.7	-166.9	1.2	117.8	M1 G2 N3	M1-R39 CarbonylContact C-O 3.11Å; G2-R39 WeakPolarHBondContact CA-O 3.13Å; G2-R39 PolarHBondContact N-O 3.29Å; G2-R39 VanDerWaalsContact N-O 3.16Å; N3-R39 VanDerWaalsContact CG-CA 3.47Å; N3-R39 WeakPolarHBondContact ND2-CA 3.29Å; N3-R39 VanDerWaalsContact OD1-C 3.25Å; N3-R39 WeakPolarHBondContact OD1-CA 3.33Å; N3-R39 PolarHBondContact OD1-N 3.43Å
40	S	36.9	Very low	37.3	Very low	73 Å²	73	138 Å²	138	51%	0.51	69%	0.689	S	S	.	*			trans	100.8	86.9	147.1	-157.4	0	0	0	0	121.2	G2	G2-S40 WeakPolarHBondContact CA-O 3.28Å
41	V	36.5	Very low	38.6	Very low	17 Å²	17	135 Å²	135	10%	0.103	67%	0.672	C	S	.	*			trans	-155.1	137.1	173	137.4	0	0	0	0	106.8	N3 Y203 K205	N3-V41 VanDerWaalsContact O-CB 3.25Å; N3-V41 WeakPolarHBondContact O-CB 3.27Å; N3-V41 WeakPolarHBondContact O-CG1 3.03Å; V41-Y203 HydrophobicContact CB-CD1 3.97Å; V41-Y203 VanDerWaalsContact CG1-C 3.45Å; V41-Y203 HydrophobicContact CG1-CD1 4.31Å; V41-Y203 HydrophobicContact CG1-CG 4.49Å; V41-Y203 WeakPolarHBondContact CG1-O 3.31Å; V41-Y203 VanDerWaalsContact O-CB 3.31Å; V41-Y203 WeakPolarHBondContact O-CB 3.34Å; V41-Y203 WeakPolarHBondContact O-CD1 3.5Å; V41-K205 HydrophobicContact CB-CB 4.43Å; V41-K205 HydrophobicContact CG1-CB 3.99Å; V41-K205 HydrophobicContact CG2-CB 3.74Å; V41-K205 HydrophobicContact CG2-CD 4.29Å; V41-K205 HydrophobicContact CG2-CG 3.9Å
42	K	38.9	Very low	40.1	Very low	134 Å²	134	134.4 Å²	134.4	58%	0.583	66%	0.661	S	S	*	*			trans	-103	157.1	-160.1	-62.6	176	179.3	172.8	0	115.2	G204 K205	K42-G204 CarbonylContact O-C 3.13Å; K42-G204 WeakPolarHBondContact O-CA 3.39Å; K42-G204 PolarHBondContact O-N 3.41Å; K42-G204 VanDerWaalsContact O-O 3.06Å; K42-K205 PolarHBondContact O-N 3.49Å
43	P	38.3	Very low	41.7	Very low	117 Å²	117	134 Å²	134	76%	0.76	66%	0.655	S	S	*	*			trans	-101.5	173.3	170.1	38	-32.3	0	0	0	114.3
44	F	39.3	Very low	43	Very low	214 Å²	214	133.7 Å²	133.7	94%	0.939	65%	0.645	S	S	*	*			trans	-107.3	168	-175.5	-138.1	-101.6	0	0	0	112.6
45	K	38.1	Very low	44.4	Very low	182 Å²	182	135.3 Å²	135.3	79%	0.791	64%	0.635	S	S	*	*			trans	-93	166.9	177.5	-81.1	-171.9	169.9	-170.3	0	113.2
46	E	40.7	Very low	45.7	Very low	108 Å²	108	128.8 Å²	128.8	51%	0.505	62%	0.616	S	S	.	*			cis	-176.8	105.9	-39.5	-169.2	152.7	-140	0	0	108.2	R48	E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 HydrophobicContact CG-CG 4.33Å; E46-R48 PolarHBondContact O-N 3.35Å; E46-R48 VanDerWaalsContact O-N 3.07Å; E46-R48 IonicContact OE1-CZ 2.72Å; E46-R48 IonicContact OE1-NH1 2.69Å; E46-R48 PolarHBondContact OE1-NH1 3.3Å; E46-R48 IonicContact OE1-NH2 3.56Å; E46-R48 PolarHBondContact OE1-NH2 3.43Å
47	P	51.6	Low	47.5	Very low	105 Å²	105	128 Å²	128	68%	0.682	61%	0.606	S	S	*	*			trans	-74.2	7.2	-164.8	-22.6	35.1	0	0	0	119	N49	P47-N49 PolarHBondContact O-N 3.27Å
48	R	45	Very low	48.2	Very low	111 Å²	111	121.7 Å²	121.7	42%	0.419	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-20.8	-156.3	-65.1	-161.9	-168.8	95.6	30.4	117.4	E46 M50 D197	E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 HydrophobicContact CG-CG 4.33Å; E46-R48 PolarHBondContact O-N 3.35Å; E46-R48 VanDerWaalsContact O-N 3.07Å; E46-R48 IonicContact OE1-CZ 2.72Å; E46-R48 IonicContact OE1-NH1 2.69Å; E46-R48 PolarHBondContact OE1-NH1 3.3Å; E46-R48 IonicContact OE1-NH2 3.56Å; E46-R48 PolarHBondContact OE1-NH2 3.43Å; R48-M50 PolarHBondContact O-N 3.26Å; R48-D197 IonicContact NH2-OD2 3.1Å; R48-D197 PolarHBondContact NH2-OD2 3.41Å
49	N	52.8	Low	49.1	Very low	135 Å²	135	119.6 Å²	119.6	72%	0.722	59%	0.587	S	S	*	*	H	α-helix	trans	-68	-39.5	-170	-80.4	25.6	0	0	0	114.4	P47 I51 N52	P47-N49 PolarHBondContact O-N 3.27Å; N49-I51 VanDerWaalsContact C-N 3.27Å; N49-I51 PolarHBondContact O-N 3.31Å; N49-N52 PolarHBondContact O-N 3.5Å
50	M	55.9	Low	49.6	Very low	152 Å²	152	114.4 Å²	114.4	75%	0.749	58%	0.578	S	S	*	*	H	α-helix	trans	-63.6	-29.8	-176	-74.1	172.1	60.5	0	0	113.7	R48 Y54	R48-M50 PolarHBondContact O-N 3.26Å; M50-Y54 PolarHBondContact O-N 2.86Å
51	I	56.5	Low	49.9	Very low	66 Å²	66	116.9 Å²	116.9	34%	0.338	58%	0.582	S	S	.	*	H	α-helix	trans	-68.9	-39.6	-175.1	-59.9	168.4	0	0	0	110.4	N49 Y54 M55 L195	N49-I51 VanDerWaalsContact C-N 3.27Å; N49-I51 PolarHBondContact O-N 3.31Å; I51-Y54 PolarHBondContact O-N 2.67Å; I51-M55 PolarHBondContact O-N 3.11Å; I51-M55 VanDerWaalsContact O-N 3.15Å; I51-L195 HydrophobicContact CD1-CD1 4.11Å
52	N	62.2	Low	50.1	Low	108 Å²	108	120 Å²	120	58%	0.578	60%	0.604	S	S	*	*	H	α-helix	trans	-69	-35.8	-178.7	-67	5.4	0	0	0	111.9	N49 S56	N49-N52 PolarHBondContact O-N 3.5Å; N52-S56 WeakPolarHBondContact O-CB 3.09Å; N52-S56 PolarHBondContact O-N 3.06Å; N52-S56 VanDerWaalsContact O-N 3.13Å; N52-S56 PolarHBondContact O-OG 3.26Å
53	E	60.2	Low	50	Low	142 Å²	142	121.5 Å²	121.5	66%	0.664	61%	0.613	S	S	*	*	H	α-helix	trans	-65	-45.1	175.8	-68	179.3	136.6	0	0	111	S56 W57	E53-S56 PolarHBondContact O-N 2.94Å; E53-W57 PolarHBondContact O-N 3.23Å
54	Y	56.7	Low	49.7	Very low	161 Å²	161	120.2 Å²	120.2	63%	0.631	61%	0.607	S	S	*	*	H	α-helix	trans	-62.6	-46	179.6	-173.3	-98.9	0	0	0	113.1	M50 I51 S56 W57 A58	M50-Y54 PolarHBondContact O-N 2.86Å; I51-Y54 PolarHBondContact O-N 2.67Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 3.06Å; Y54-W57 HydrophobicContact CE2-CE3 4.42Å; Y54-W57 PolarHBondContact O-N 2.83Å; Y54-A58 PolarHBondContact O-N 3.24Å; Y54-A58 VanDerWaalsContact O-N 3.1Å
55	M	56.9	Low	49.9	Very low	103 Å²	103	116.1 Å²	116.1	51%	0.507	60%	0.601	S	S	.	*	H	α-helix	trans	-63.9	-36.8	176.4	-72.2	-173.3	167	0	0	112.4	I51 W57 A58 L59	I51-M55 PolarHBondContact O-N 3.11Å; I51-M55 VanDerWaalsContact O-N 3.15Å; M55-W57 VanDerWaalsContact C-N 3.35Å; M55-A58 PolarHBondContact O-N 3.01Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.69Å; M55-L59 VanDerWaalsContact O-N 3.15Å
56	S	56.7	Low	49.7	Very low	78 Å²	78	111.4 Å²	111.4	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-67.6	-35.6	177.3	-53.6	0	0	0	0	112.3	N52 E53 Y54 S60	N52-S56 WeakPolarHBondContact O-CB 3.09Å; N52-S56 PolarHBondContact O-N 3.06Å; N52-S56 VanDerWaalsContact O-N 3.13Å; N52-S56 PolarHBondContact O-OG 3.26Å; E53-S56 PolarHBondContact O-N 2.94Å; Y54-S56 VanDerWaalsContact C-N 3.32Å; Y54-S56 PolarHBondContact O-N 3.06Å; S56-S60 PolarHBondContact O-N 3.28Å; S56-S60 PolarHBondContact O-OG 3.1Å
57	W	68	Low	49.2	Very low	150 Å²	150	109.5 Å²	109.5	57%	0.568	58%	0.58	S	S	*	*	H	α-helix	trans	-66.6	-45.9	174.5	176.9	76.8	0	0	0	112	E53 Y54 M55 L59 S60 H61	E53-W57 PolarHBondContact O-N 3.23Å; Y54-W57 HydrophobicContact CE2-CE3 4.42Å; Y54-W57 PolarHBondContact O-N 2.83Å; M55-W57 VanDerWaalsContact C-N 3.35Å; W57-L59 PolarHBondContact O-N 3.3Å; W57-S60 PolarHBondContact O-N 3.13Å; W57-S60 PolarHBondContact O-OG 3.15Å; W57-H61 AromaticContact CD1-CE1 3.51Å; W57-H61 AromaticContact CD1-ND1 3.92Å; W57-H61 AromaticContact CE2-CE1 3.94Å; W57-H61 AromaticContact NE1-CE1 3.23Å; W57-H61 PolarHBondContact NE1-CE1 3.2Å; W57-H61 AromaticContact NE1-ND1 3.73Å; W57-H61 AromaticContact NE1-NE2 3.83Å; W57-H61 PolarHBondContact O-ND1 3.45Å
58	A	49	Very low	48.7	Very low	45 Å²	45	111.6 Å²	111.6	37%	0.372	58%	0.579	S	S	.	*	H	α-helix	trans	-60.4	-48.5	178.7	0	0	0	0	0	112.5	Y54 M55 S60 H61	Y54-A58 PolarHBondContact O-N 3.24Å; Y54-A58 VanDerWaalsContact O-N 3.1Å; M55-A58 PolarHBondContact O-N 3.01Å; A58-S60 PolarHBondContact O-N 3.44Å; A58-H61 PolarHBondContact O-N 3.41Å; A58-H61 VanDerWaalsContact O-N 3.13Å
59	L	55.6	Low	48.2	Very low	131 Å²	131	112.2 Å²	112.2	69%	0.686	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-16.8	-178.3	-68.4	170.3	0	0	0	114.5	M55 W57 S62	M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.69Å; M55-L59 VanDerWaalsContact O-N 3.15Å; W57-L59 PolarHBondContact O-N 3.3Å; L59-S62 PolarHBondContact O-OG 3.46Å; L59-S62 VanDerWaalsContact O-OG 3.13Å
60	S	46.4	Very low	47.3	Very low	70 Å²	70	110 Å²	110	49%	0.49	58%	0.578	S	S	.	*	H	α-helix	trans	-88.6	-9.7	175.9	46.7	0	0	0	0	113.9	S56 W57 A58	S56-S60 PolarHBondContact O-N 3.28Å; S56-S60 PolarHBondContact O-OG 3.1Å; W57-S60 PolarHBondContact O-N 3.13Å; W57-S60 PolarHBondContact O-OG 3.15Å; A58-S60 PolarHBondContact O-N 3.44Å
61	H	41.8	Very low	46.4	Very low	126 Å²	126	103.4 Å²	103.4	58%	0.583	55%	0.549	S	S	*	.	H	α-helix	trans	-104.7	-8.1	178	-66.7	75.4	0	0	0	113.2	W57 A58 H63	W57-H61 AromaticContact CD1-CE1 3.51Å; W57-H61 AromaticContact CD1-ND1 3.92Å; W57-H61 AromaticContact CE2-CE1 3.94Å; W57-H61 AromaticContact NE1-CE1 3.23Å; W57-H61 PolarHBondContact NE1-CE1 3.2Å; W57-H61 AromaticContact NE1-ND1 3.73Å; W57-H61 AromaticContact NE1-NE2 3.83Å; W57-H61 PolarHBondContact O-ND1 3.45Å; A58-H61 PolarHBondContact O-N 3.41Å; A58-H61 VanDerWaalsContact O-N 3.13Å; H61-H63 PolarHBondContact O-N 2.89Å
62	S	40.7	Very low	45.4	Very low	83 Å²	83	107.2 Å²	107.2	58%	0.58	57%	0.566	S	S	*	*			trans	-76.8	66.5	172.8	55.2	0	0	0	0	112.4	L59	L59-S62 PolarHBondContact O-OG 3.46Å; L59-S62 VanDerWaalsContact O-OG 3.13Å
63	H	37.8	Very low	43.9	Very low	165 Å²	165	106.3 Å²	106.3	76%	0.764	57%	0.569	S	S	*	*			trans	-133.5	94.3	174.5	-78.4	-45.5	0	0	0	111.6	H61	H61-H63 PolarHBondContact O-N 2.89Å
64	S	31.2	Very low	42.5	Very low	90 Å²	90	107 Å²	107	63%	0.629	57%	0.565	S	S	*	*			trans	-151.1	90.7	164.2	-171.5	0	0	0	0	110.8
65	P	43.2	Very low	41.1	Very low	127 Å²	127	103.8 Å²	103.8	83%	0.825	57%	0.567	S	S	*	*			trans	-84.2	110.9	172.3	32.2	-29.7	0	0	0	109.6
66	L	34.5	Very low	39.8	Very low	83 Å²	83	102.6 Å²	102.6	44%	0.435	57%	0.568	S	S	.	*			trans	-126.4	98.3	178	-83.1	172.9	0	0	0	112.7	H177 P178	L66-H177 HydrophobicContact CB-CB 4.38Å; L66-H177 WeakPolarHBondContact O-CB 3.29Å; L66-P178 HydrophobicContact CB-CG 4.48Å; L66-P178 HydrophobicContact CD1-CG 3.98Å
67	V	31.1	Very low	38.8	Very low	68 Å²	68	105 Å²	105	41%	0.412	57%	0.574	S	S	.	*			trans	69.5	144.9	151.6	-150.5	0	0	0	0	117.6	D69 M175	V67-D69 HydrophobicContact CG1-CB 4.31Å; V67-M175 HydrophobicContact CB-CE 3.75Å; V67-M175 HydrophobicContact CB-SD 3.63Å; V67-M175 HydrophobicContact CG1-CE 3.38Å; V67-M175 HydrophobicContact CG1-SD 3.78Å
68	F	40.6	Very low	37.1	Very low	149 Å²	149	102.2 Å²	102.2	65%	0.654	58%	0.578	S	S	*	*			trans	-134.9	10.9	-178.5	-91	-104.9	0	0	0	113.3	A71	F68-A71 WeakPolarHBondContact O-CB 3.47Å
69	D	34.6	Very low	36.2	Very low	124 Å²	124	101.8 Å²	101.8	66%	0.663	57%	0.572	S	S	*	*			trans	-99.4	-26.1	-165	-63.1	-71.6	0	0	0	118.7	V67 A71	V67-D69 HydrophobicContact CG1-CB 4.31Å; D69-A71 PolarHBondContact O-N 3.18Å
70	D	33.5	Very low	35.1	Very low	88 Å²	88	102.2 Å²	102.2	47%	0.471	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-62.4	-8.8	167.6	-90.4	-11.9	0	0	0	110.8	M72 I174 M175 V176	D70-M72 PolarHBondContact O-N 3.43Å; D70-I174 HydrophobicContact CB-CG2 4.27Å; D70-I174 WeakPolarHBondContact O-CB 3.17Å; D70-I174 WeakPolarHBondContact O-CG2 3.48Å; D70-M175 HydrophobicContact CB-CE 3.67Å; D70-M175 HydrophobicContact CB-CG 3.82Å; D70-M175 HydrophobicContact CB-SD 4.45Å; D70-M175 VanDerWaalsContact N-CG 3.27Å; D70-V176 HydrophobicContact CB-CB 4.44Å
71	A	37.2	Very low	34.3	Very low	15 Å²	15	103.8 Å²	103.8	12%	0.124	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-59.1	-47.7	-171	0	0	0	0	0	114.7	F68 D69 S73 R173 I174 M175	F68-A71 WeakPolarHBondContact O-CB 3.47Å; D69-A71 PolarHBondContact O-N 3.18Å; A71-S73 PolarHBondContact O-N 3.32Å; A71-R173 CarbonylContact O-C 3.18Å; A71-I174 VanDerWaalsContact CA-C 3.42Å; A71-I174 WeakPolarHBondContact O-CB 3.26Å; A71-I174 PolarHBondContact O-N 3.1Å; A71-M175 HydrophobicContact CB-CB 4.22Å; A71-M175 HydrophobicContact CB-CG 4.19Å
72	M	36.5	Very low	33.9	Very low	145 Å²	145	102.4 Å²	102.4	71%	0.714	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-91.4	28.7	-160.6	-65.5	159.9	-132.4	0	0	113.2	D70	D70-M72 PolarHBondContact O-N 3.43Å
73	S	30.4	Very low	34.1	Very low	89 Å²	89	107.9 Å²	107.9	62%	0.622	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-126	-2.9	-153.3	-64.9	0	0	0	0	118	A71	A71-S73 PolarHBondContact O-N 3.32Å
74	R	29.3	Very low	34.4	Very low	156 Å²	156	103.8 Å²	103.8	59%	0.589	57%	0.572	S	S	*	*	S	Bend	trans	-134.1	144.2	168.8	-48.5	164.8	72.1	173.7	-0.4	109.9	D95 I174	R74-D95 IonicContact CZ-OD2 3.45Å; R74-D95 IonicContact NH1-OD2 3.57Å; R74-D95 PolarHBondContact NH1-OD2 2.92Å; R74-D95 IonicContact NH2-OD2 3.87Å; R74-D95 PolarHBondContact NH2-OD2 2.72Å; R74-I174 HydrophobicContact CB-CD1 3.39Å; R74-I174 HydrophobicContact CG-CD1 3.7Å
75	S	28.9	Very low	34.7	Very low	95 Å²	95	105.8 Å²	105.8	66%	0.664	58%	0.575	S	S	*	*			trans	-93.1	162.1	-159.9	52.7	0	0	0	0	115.6	L77 W92	S75-L77 PolarHBondContact O-N 3.2Å; S75-W92 WeakPolarHBondContact O-CH2 3.31Å; S75-W92 VanDerWaalsContact O-CZ3 3.27Å; S75-W92 WeakPolarHBondContact O-CZ3 3.35Å
76	S	29.1	Very low	34.4	Very low	78 Å²	78	103.2 Å²	103.2	55%	0.545	55%	0.554	S	S	.	*			trans	-66.1	94.8	-171.5	-57.6	0	0	0	0	115.4	S78 K172	S76-S78 PolarHBondContact O-N 3.12Å; S76-K172 VanDerWaalsContact CA-CD 3.48Å; S76-K172 WeakPolarHBondContact OG-CD 3.38Å
77	L	35.3	Very low	34.2	Very low	127 Å²	127	101 Å²	101	67%	0.665	55%	0.545	S	S	*	.			trans	-73.9	116.8	169.3	-85.4	93.4	0	0	0	111.5	S75 W92 K172	S75-L77 PolarHBondContact O-N 3.2Å; L77-W92 HydrophobicContact CB-CZ3 4.49Å; L77-W92 HydrophobicContact CD1-CZ3 4.28Å; L77-K172 PolarHBondContact O-NZ 2.72Å
78	S	32.6	Very low	34.6	Very low	92 Å²	92	99.5 Å²	99.5	64%	0.643	53%	0.534	S	S	*	.			trans	59.5	128.7	175.7	-159.5	0	0	0	0	116.1	S76 S90	S76-S78 PolarHBondContact O-N 3.12Å; S78-S90 WeakPolarHBondContact O-CA 3.42Å; S78-S90 WeakPolarHBondContact O-CB 3.38Å
79	S	30.3	Very low	34.3	Very low	37 Å²	37	95.1 Å²	95.1	26%	0.259	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.4	165.9	53.2	0	0	0	0	109.3	F81 S89	S79-F81 WeakPolarHBondContact O-CD2 3.37Å; S79-F81 WeakPolarHBondContact OG-CE2 3.32Å; S79-S89 WeakPolarHBondContact CA-O 3.41Å
80	H	32.4	Very low	34.1	Very low	139 Å²	139	90.1 Å²	90.1	64%	0.644	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.6	171.1	-130.2	-93.2	0	0	0	109.9	P87 I88 S89	H80-P87 CarbonylContact O-C 3.38Å; H80-P87 VanDerWaalsContact O-CA 3.31Å; H80-P87 WeakPolarHBondContact O-CA 3.35Å; H80-I88 HydrophobicContact CB-CB 4.15Å; H80-I88 HydrophobicContact CB-CD1 4.15Å; H80-I88 HydrophobicContact CB-CG1 4.31Å; H80-I88 PolarHBondContact O-N 3.39Å; H80-S89 PolarHBondContact N-O 3.15Å
81	F	30	Very low	34	Very low	104 Å²	104	89.7 Å²	89.7	46%	0.456	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144	176.8	-74.9	-87.6	0	0	0	111.1	S79 N85 P87	S79-F81 WeakPolarHBondContact O-CD2 3.37Å; S79-F81 WeakPolarHBondContact OG-CE2 3.32Å; F81-N85 WeakPolarHBondContact CE1-O 3.39Å; F81-P87 HydrophobicContact CD1-CB 4.34Å; F81-P87 HydrophobicContact CE1-CB 3.75Å; F81-P87 HydrophobicContact CE1-CG 4.35Å; F81-P87 HydrophobicContact CE2-CB 4.49Å; F81-P87 HydrophobicContact CZ-CB 3.84Å
82	D	32.6	Very low	33.8	Very low	96 Å²	96	90.7 Å²	90.7	51%	0.513	50%	0.501	S	S	.	.			trans	-109.7	174.6	166.6	-86.9	-35	0	0	0	110.2	S84 N85 I88	D82-S84 PolarHBondContact O-N 3.13Å; D82-N85 PolarHBondContact O-N 2.89Å; D82-I88 HydrophobicContact CB-CD1 4.18Å; D82-I88 WeakPolarHBondContact OD2-CD1 3.42Å
83	E	45.5	Very low	33.6	Very low	199 Å²	199	90 Å²	90	93%	0.93	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-17.7	-172.1	-62.7	-169.9	120.4	0	0	116.4
84	S	43.8	Very low	33.6	Very low	79 Å²	79	88.7 Å²	88.7	55%	0.552	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.8	174.9	58.3	0	0	0	0	115	D82 I86	D82-S84 PolarHBondContact O-N 3.13Å; S84-I86 PolarHBondContact O-N 2.93Å
85	N	37.1	Very low	33.8	Very low	131 Å²	131	87.1 Å²	87.1	70%	0.701	50%	0.499	S	S	*	.			trans	57.4	29.7	-175.1	-69.6	-75.4	0	0	0	114.7	F81 D82	F81-N85 WeakPolarHBondContact CE1-O 3.39Å; D82-N85 PolarHBondContact O-N 2.89Å
86	I	36.5	Very low	33.9	Very low	74 Å²	74	85 Å²	85	38%	0.379	49%	0.492	S	S	.	.			trans	-99.3	128.4	173.1	-48.5	177.6	0	0	0	108.6	S84 I88 R169	S84-I86 PolarHBondContact O-N 2.93Å; I86-I88 PolarHBondContact O-N 3.2Å; I86-R169 HydrophobicContact CG2-CB 4.03Å; I86-R169 HydrophobicContact CG2-CG 3.54Å; I86-R169 PolarHBondContact O-NH1 3.33Å
87	P	30.5	Very low	34.2	Very low	37 Å²	37	85.5 Å²	85.5	24%	0.24	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	109.5	-172.7	28.8	-35.1	0	0	0	111.4	H80 F81 R169 D170	H80-P87 CarbonylContact O-C 3.38Å; H80-P87 VanDerWaalsContact O-CA 3.31Å; H80-P87 WeakPolarHBondContact O-CA 3.35Å; F81-P87 HydrophobicContact CD1-CB 4.34Å; F81-P87 HydrophobicContact CE1-CB 3.75Å; F81-P87 HydrophobicContact CE1-CG 4.35Å; F81-P87 HydrophobicContact CE2-CB 4.49Å; F81-P87 HydrophobicContact CZ-CB 3.84Å; P87-R169 VanDerWaalsContact O-CA 3.25Å; P87-R169 WeakPolarHBondContact O-CA 3.5Å; P87-R169 VanDerWaalsContact O-CB 3.3Å; P87-R169 WeakPolarHBondContact O-CB 3.24Å; P87-R169 WeakPolarHBondContact O-CD 3.17Å; P87-D170 WeakPolarHBondContact CB-OD2 3.46Å
88	I	40.1	Very low	34.2	Very low	35 Å²	35	91 Å²	91	18%	0.179	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-65.5	-168.5	-48.1	177.3	0	0	0	111.5	H80 D82 I86 H168 R169	H80-I88 HydrophobicContact CB-CB 4.15Å; H80-I88 HydrophobicContact CB-CD1 4.15Å; H80-I88 HydrophobicContact CB-CG1 4.31Å; H80-I88 PolarHBondContact O-N 3.39Å; D82-I88 HydrophobicContact CB-CD1 4.18Å; D82-I88 WeakPolarHBondContact OD2-CD1 3.42Å; I86-I88 PolarHBondContact O-N 3.2Å; I88-H168 PolarHBondContact O-CE1 3.5Å; I88-H168 VanDerWaalsContact O-CE1 3.31Å; I88-H168 PolarHBondContact O-ND1 3.36Å; I88-R169 WeakPolarHBondContact O-CD 3.21Å
89	S	33.5	Very low	34.2	Very low	58 Å²	58	90.7 Å²	90.7	41%	0.406	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	144.8	-177	-49.5	0	0	0	0	107.7	S79 H80 H168 D170	S79-S89 WeakPolarHBondContact CA-O 3.41Å; H80-S89 PolarHBondContact N-O 3.15Å; S89-H168 PolarHBondContact OG-CE1 3.39Å; S89-H168 VanDerWaalsContact OG-CE1 3.29Å; S89-D170 WeakPolarHBondContact CA-OD1 3.2Å
90	S	31.3	Very low	34.7	Very low	18 Å²	18	96.4 Å²	96.4	13%	0.126	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.4	177.9	66.2	0	0	0	0	109.4	S78 D170 K172	S78-S90 WeakPolarHBondContact O-CA 3.42Å; S78-S90 WeakPolarHBondContact O-CB 3.38Å; S90-D170 VanDerWaalsContact CB-CG 3.44Å; S90-D170 VanDerWaalsContact CB-OD1 3.29Å; S90-D170 WeakPolarHBondContact CB-OD1 3.03Å; S90-D170 WeakPolarHBondContact CB-OD2 3.09Å; S90-D170 PolarHBondContact N-OD1 2.98Å; S90-D170 WeakPolarHBondContact OG-CB 3.27Å; S90-D170 PolarHBondContact OG-OD1 3.45Å; S90-D170 PolarHBondContact OG-OD2 2.97Å; S90-K172 VanDerWaalsContact CB-CE 3.43Å; S90-K172 VanDerWaalsContact CB-NZ 3.33Å; S90-K172 WeakPolarHBondContact OG-CD 3.17Å; S90-K172 WeakPolarHBondContact OG-CE 3.39Å
91	S	31.1	Very low	34.8	Very low	79 Å²	79	92.6 Å²	92.6	55%	0.552	53%	0.531	S	S	*	.			trans	-120.7	155.7	-168.8	69.7	0	0	0	0	113.4	K172	S91-K172 VanDerWaalsContact N-NZ 3.13Å; S91-K172 PolarHBondContact O-NZ 3.46Å
92	W	33.4	Very low	35.1	Very low	37 Å²	37	91.7 Å²	91.7	14%	0.14	54%	0.538	C	S	.	.			trans	-138.8	70.2	-154	-105.7	168	0	0	0	114.1	S75 L77 S94 D171 K172 R173	S75-W92 WeakPolarHBondContact O-CH2 3.31Å; S75-W92 VanDerWaalsContact O-CZ3 3.27Å; S75-W92 WeakPolarHBondContact O-CZ3 3.35Å; L77-W92 HydrophobicContact CB-CZ3 4.49Å; L77-W92 HydrophobicContact CD1-CZ3 4.28Å; W92-S94 PolarHBondContact O-N 3.14Å; W92-D171 VanDerWaalsContact CD1-CG 3.43Å; W92-D171 PolarHBondContact NE1-OD1 3.39Å; W92-K172 HydrophobicContact CD2-CB 4.46Å; W92-K172 HydrophobicContact CD2-CD 3.52Å; W92-K172 HydrophobicContact CD2-CG 4.05Å; W92-K172 VanDerWaalsContact CE2-CB 3.41Å; W92-K172 VanDerWaalsContact CE2-CG 3.46Å; W92-K172 HydrophobicContact CE3-CD 3.77Å; W92-K172 VanDerWaalsContact CE3-CE 3.5Å; W92-K172 HydrophobicContact CG-CD 4.19Å; W92-K172 VanDerWaalsContact CG-CE 3.47Å; W92-K172 HydrophobicContact CG-CG 4.43Å; W92-K172 HydrophobicContact CH2-CB 4.37Å; W92-K172 HydrophobicContact CH2-CD 4.05Å; W92-K172 HydrophobicContact CZ2-CB 3.44Å; W92-K172 VanDerWaalsContact CZ2-CB 3.44Å; W92-K172 HydrophobicContact CZ2-CD 3.74Å; W92-K172 HydrophobicContact CZ2-CG 3.91Å; W92-K172 HydrophobicContact CZ3-CD 4.01Å; W92-K172 VanDerWaalsContact NE1-C 3.34Å; W92-R173 HydrophobicContact CB-CG 4.44Å; W92-R173 HydrophobicContact CD2-CG 4.45Å; W92-R173 HydrophobicContact CG-CB 4.45Å; W92-R173 HydrophobicContact CG-CG 3.92Å; W92-R173 HydrophobicContact CZ2-CB 3.84Å; W92-R173 VanDerWaalsContact NE1-CG 3.27Å; W92-R173 PolarHBondContact O-NH1 2.61Å; W92-R173 VanDerWaalsContact O-NH1 3.09Å
93	V	31.3	Very low	35.2	Very low	130 Å²	130	91.8 Å²	91.8	79%	0.788	54%	0.535	S	S	*	.			trans	-59.1	119.1	168.8	-172.7	0	0	0	0	109.2	R173	V93-R173 PolarHBondContact O-NH1 3.24Å; V93-R173 PolarHBondContact O-NH2 2.89Å
94	S	31.9	Very low	35.1	Very low	61 Å²	61	85.3 Å²	85.3	43%	0.427	51%	0.509	S	S	.	.			trans	-86.2	134.2	172.8	-71.3	0	0	0	0	109.3	W92 G96 R173	W92-S94 PolarHBondContact O-N 3.14Å; S94-G96 PolarHBondContact O-N 2.82Å; S94-R173 VanDerWaalsContact N-NH1 3.12Å; S94-R173 PolarHBondContact OG-NH1 2.96Å
95	D	32.4	Very low	34.9	Very low	124 Å²	124	85.3 Å²	85.3	66%	0.663	50%	0.502	S	S	*	.	S	Bend	trans	-63.9	3.8	-179.7	-115.5	-26	0	0	0	114.3	R74 A97	R74-D95 IonicContact CZ-OD2 3.45Å; R74-D95 IonicContact NH1-OD2 3.57Å; R74-D95 PolarHBondContact NH1-OD2 2.92Å; R74-D95 IonicContact NH2-OD2 3.87Å; R74-D95 PolarHBondContact NH2-OD2 2.72Å; D95-A97 PolarHBondContact O-N 3.18Å
96	G	31.7	Very low	35	Very low	51 Å²	51	85.5 Å²	85.5	53%	0.526	49%	0.494	S	S	.	.			trans	-73.4	33.2	173.8	0	0	0	0	0	113.7	S94 R98 S99	S94-G96 PolarHBondContact O-N 2.82Å; G96-R98 PolarHBondContact O-N 2.87Å; G96-S99 PolarHBondContact O-N 3.44Å
97	A	35.3	Very low	35.5	Very low	88 Å²	88	85 Å²	85	73%	0.727	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	41.1	-178.5	0	0	0	0	0	113.3	D95	D95-A97 PolarHBondContact O-N 3.18Å
98	R	35.3	Very low	35.8	Very low	241 Å²	241	91.5 Å²	91.5	91%	0.909	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	13.5	176.3	-61.9	-160.4	69.5	-169.6	-1.8	113.2	G96	G96-R98 PolarHBondContact O-N 2.87Å
99	S	32.2	Very low	36	Very low	87 Å²	87	91.8 Å²	91.8	61%	0.608	52%	0.518	S	S	*	.	S	Bend	trans	-138.3	131	162.4	-64.1	0	0	0	0	108	G96 A101	G96-S99 PolarHBondContact O-N 3.44Å; S99-A101 PolarHBondContact O-N 3.04Å
100	D	41.6	Very low	36.2	Very low	156 Å²	156	92 Å²	92	83%	0.834	51%	0.514	S	S	*	.	S	Bend	trans	-76.9	41.3	-173.7	-56.2	-70.7	0	0	0	113.8
101	A	33.5	Very low	36.5	Very low	59 Å²	59	97.1 Å²	97.1	49%	0.488	55%	0.547	S	S	.	.			trans	-136.7	48.8	177.6	0	0	0	0	0	109.8	S99 H103	S99-A101 PolarHBondContact O-N 3.04Å; A101-H103 VanDerWaalsContact C-N 3.25Å; A101-H103 PolarHBondContact O-CD2 2.69Å; A101-H103 PolarHBondContact O-N 3.22Å
102	S	36.3	Very low	36.9	Very low	86 Å²	86	99.5 Å²	99.5	60%	0.601	55%	0.553	S	S	*	*			trans	-75.8	76.2	176.3	58.5	0	0	0	0	110.7	V104	S102-V104 PolarHBondContact O-N 2.85Å; S102-V104 VanDerWaalsContact O-N 3.16Å
103	H	35.5	Very low	37	Very low	97 Å²	97	102.1 Å²	102.1	45%	0.449	57%	0.57	S	S	.	*			trans	-52.9	119.9	179.9	-49	-92.2	0	0	0	111.1	A101 L105 T136	A101-H103 VanDerWaalsContact C-N 3.25Å; A101-H103 PolarHBondContact O-CD2 2.69Å; A101-H103 PolarHBondContact O-N 3.22Å; H103-L105 PolarHBondContact O-N 3.41Å; H103-T136 HydrophobicContact CB-CG2 3.94Å
104	V	42.2	Very low	37	Very low	64 Å²	64	102.8 Å²	102.8	39%	0.388	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	110.2	173	-175.3	0	0	0	0	107.6	S102 Y106 V137	S102-V104 PolarHBondContact O-N 2.85Å; S102-V104 VanDerWaalsContact O-N 3.16Å; V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 4.02Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; V104-V137 PolarHBondContact N-O 3.27Å; V104-V137 PolarHBondContact O-N 3.09Å
105	L	40.1	Very low	36.9	Very low	79 Å²	79	103.9 Å²	103.9	41%	0.414	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	114.6	174.9	-75.5	176.3	0	0	0	110	H103 W134 I135 T136	H103-L105 PolarHBondContact O-N 3.41Å; L105-W134 HydrophobicContact CB-CE3 4.02Å; L105-W134 HydrophobicContact CB-CZ3 4.3Å; L105-W134 HydrophobicContact CD1-CE3 4.38Å; L105-W134 HydrophobicContact CD2-CB 4.17Å; L105-I135 WeakPolarHBondContact CA-O 3.39Å; L105-T136 HydrophobicContact CD2-CG2 3.4Å; L105-T136 VanDerWaalsContact CD2-CG2 3.4Å; L105-T136 HydrophobicContact CG-CG2 4.38Å
106	Y	39.8	Very low	36.9	Very low	135 Å²	135	103.6 Å²	103.6	53%	0.529	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.3	145.8	164.1	-64.4	-90.9	0	0	0	109.2	V104 I135 V137	V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 4.02Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; Y106-I135 PolarHBondContact N-O 3.33Å; Y106-I135 PolarHBondContact O-N 3.33Å; Y106-V137 HydrophobicContact CD2-CB 4.34Å; Y106-V137 HydrophobicContact CD2-CG2 3.8Å; Y106-V137 HydrophobicContact CE2-CB 4.07Å; Y106-V137 HydrophobicContact CE2-CG2 3.85Å
107	K	45.9	Very low	36.7	Very low	63 Å²	63	106.4 Å²	106.4	27%	0.274	58%	0.584	S	S	.	*			trans	-113.4	104.8	168.6	-170.7	-179.4	-176.5	-175.5	0	106.8	L109 W134	K107-L109 HydrophobicContact CB-CD1 4.21Å; K107-L109 HydrophobicContact CD-CD1 4.14Å; K107-L109 HydrophobicContact CD-CD2 4.12Å; K107-L109 HydrophobicContact CD-CG 4.31Å; K107-L109 HydrophobicContact CG-CD1 3.96Å; K107-L109 HydrophobicContact CG-CD2 4.46Å; K107-L109 HydrophobicContact CG-CG 4.13Å; K107-L109 WeakPolarHBondContact O-CD1 3.27Å; K107-L109 PolarHBondContact O-N 3.28Å; K107-W134 HydrophobicContact CB-CE3 4.16Å; K107-W134 HydrophobicContact CB-CZ3 4.01Å; K107-W134 HydrophobicContact CD-CH2 4.49Å
108	E	37.1	Very low	36.3	Very low	173 Å²	173	109.3 Å²	109.3	81%	0.808	59%	0.585	S	S	*	*			trans	-66.5	131	165.4	-76.7	-166.4	145	0	0	108.5
109	L	44.1	Very low	35.9	Very low	41 Å²	41	106.5 Å²	106.5	22%	0.215	58%	0.582	C	S	.	*			trans	-121.5	135.7	166	-53.8	104.6	0	0	0	106	K107 I167 H168	K107-L109 HydrophobicContact CB-CD1 4.21Å; K107-L109 HydrophobicContact CD-CD1 4.14Å; K107-L109 HydrophobicContact CD-CD2 4.12Å; K107-L109 HydrophobicContact CD-CG 4.31Å; K107-L109 HydrophobicContact CG-CD1 3.96Å; K107-L109 HydrophobicContact CG-CD2 4.46Å; K107-L109 HydrophobicContact CG-CG 4.13Å; K107-L109 WeakPolarHBondContact O-CD1 3.27Å; K107-L109 PolarHBondContact O-N 3.28Å; L109-I167 WeakPolarHBondContact CD2-O 3.34Å; L109-H168 HydrophobicContact CB-CB 3.96Å; L109-H168 HydrophobicContact CD1-CB 4.18Å
110	D	37.7	Very low	35.8	Very low	63 Å²	63	107.9 Å²	107.9	34%	0.337	58%	0.582	S	S	.	*			trans	-62.2	171.1	-164.3	99.1	62.4	0	0	0	113.4	L112 N166	D110-L112 PolarHBondContact O-N 3.47Å; D110-L112 PolarHBondContact OD1-N 2.89Å; D110-N166 HydrophobicContact CB-CB 3.87Å; D110-N166 VanDerWaalsContact O-CB 3.28Å; D110-N166 WeakPolarHBondContact O-CB 3.49Å; D110-N166 PolarHBondContact O-ND2 2.94Å; D110-N166 PolarHBondContact O-OD1 3.26Å; D110-N166 VanDerWaalsContact O-OD1 3.08Å; D110-N166 WeakPolarHBondContact OD2-CB 3.4Å; D110-N166 PolarHBondContact OD2-N 3.15Å
111	P	37.5	Very low	35.2	Very low	125 Å²	125	107.1 Å²	107.1	81%	0.812	58%	0.578	S	S	*	*	S	Bend	trans	-73.9	-17.1	-177.5	-23.3	36.8	0	0	0	116.7
112	L	39.1	Very low	35.5	Very low	130 Å²	130	113.6 Å²	113.6	68%	0.681	60%	0.595	S	S	*	*	S	Bend	trans	-112.3	80.3	-160.8	-74.5	164.4	0	0	0	114.6	D110 K114 N166	D110-L112 PolarHBondContact O-N 3.47Å; D110-L112 PolarHBondContact OD1-N 2.89Å; L112-K114 PolarHBondContact O-N 3.06Å; L112-N166 PolarHBondContact N-ND2 3.05Å
113	N	36.4	Very low	35.5	Very low	92 Å²	92	118 Å²	118	49%	0.492	61%	0.606	S	S	.	*			trans	-46.9	103.1	-171.9	-99.4	21.1	0	0	0	114.8	N166 I167	N113-N166 CarbonylContact C-O 3.56Å; N113-N166 VanDerWaalsContact CA-ND2 3.28Å; N113-N166 WeakPolarHBondContact CA-ND2 2.98Å; N113-N166 VanDerWaalsContact CA-O 3.23Å; N113-N166 WeakPolarHBondContact CA-O 3.24Å; N113-N166 PolarHBondContact N-ND2 3.26Å; N113-N166 PolarHBondContact OD1-ND2 3.14Å; N113-I167 HydrophobicContact CB-CD1 4.24Å; N113-I167 HydrophobicContact CB-CG1 4.03Å
114	K	32.3	Very low	35.3	Very low	143 Å²	143	120.4 Å²	120.4	62%	0.622	62%	0.622	S	S	*	*			trans	-138.9	99.7	163	-73.1	-173.1	178.9	179.8	0	110.4	L112 G165 N166	L112-K114 PolarHBondContact O-N 3.06Å; K114-G165 CarbonylContact O-C 3.37Å; K114-G165 VanDerWaalsContact O-CA 3.24Å; K114-G165 WeakPolarHBondContact O-CA 3.18Å; K114-N166 CarbonylContact C-O 3.59Å; K114-N166 VanDerWaalsContact C-O 3.29Å; K114-N166 PolarHBondContact N-O 2.63Å
115	S	29.9	Very low	34.6	Very low	84 Å²	84	124.9 Å²	124.9	59%	0.587	64%	0.644	S	S	*	*			trans	-67.8	135.6	177.1	33	0	0	0	0	111.7	S117 I167	S115-S117 PolarHBondContact O-N 3.31Å; S115-S117 VanDerWaalsContact O-N 3.17Å; S115-I167 WeakPolarHBondContact OG-CD1 3.23Å
116	T	31.6	Very low	34	Very low	118 Å²	118	127 Å²	127	72%	0.724	66%	0.661	S	S	*	*			trans	-64.9	113.9	165	32.6	0	0	0	0	109.7	M118	T116-M118 PolarHBondContact O-N 3.05Å
117	S	27.2	Very low	33.5	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	66%	0.662	S	S	*	*			trans	-67.7	127.4	-177.4	-175	0	0	0	0	111.9	S115 E119	S115-S117 PolarHBondContact O-N 3.31Å; S115-S117 VanDerWaalsContact O-N 3.17Å; S117-E119 PolarHBondContact O-N 3.29Å
118	M	27.9	Very low	32.9	Very low	150 Å²	150	130.5 Å²	130.5	74%	0.739	69%	0.692	S	S	*	*			trans	-77.2	108.1	158.7	-74.9	173.8	58.3	0	0	108.8	T116 L120	T116-M118 PolarHBondContact O-N 3.05Å; M118-L120 HydrophobicContact CE-CD1 4.26Å; M118-L120 HydrophobicContact CE-CG 4.24Å; M118-L120 PolarHBondContact O-N 2.86Å; M118-L120 VanDerWaalsContact O-N 3.15Å
119	E	27	Very low	32.7	Very low	181 Å²	181	131.1 Å²	131.1	85%	0.846	69%	0.688	S	S	*	*			trans	-73.3	101.1	158.3	-174.8	152.1	-146.7	0	0	107.8	S117 D121	S117-E119 PolarHBondContact O-N 3.29Å; E119-D121 PolarHBondContact O-N 3.33Å
120	L	28.9	Very low	32.5	Very low	116 Å²	116	138.3 Å²	138.3	61%	0.607	72%	0.717	S	S	*	*			trans	-84.4	71.3	-171.8	-143.6	172	0	0	0	109.8	M118 K122	M118-L120 HydrophobicContact CE-CD1 4.26Å; M118-L120 HydrophobicContact CE-CG 4.24Å; M118-L120 PolarHBondContact O-N 2.86Å; M118-L120 VanDerWaalsContact O-N 3.15Å; L120-K122 PolarHBondContact O-N 3.45Å
121	D	28.4	Very low	32.4	Very low	141 Å²	141	141.8 Å²	141.8	75%	0.754	73%	0.731	S	S	*	*			trans	-61.3	123.2	179.8	-145.3	-3.5	0	0	0	109.9	E119 E123	E119-D121 PolarHBondContact O-N 3.33Å; D121-E123 VanDerWaalsContact C-N 3.26Å; D121-E123 PolarHBondContact O-N 2.92Å
122	K	40.4	Very low	32.3	Very low	194 Å²	194	136.9 Å²	136.9	84%	0.843	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	6.2	-140.3	-143.7	176.5	-175	176.3	0	116.2	L120	L120-K122 PolarHBondContact O-N 3.45Å
123	E	37.2	Very low	32.1	Very low	179 Å²	179	136 Å²	136	84%	0.836	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	-5.2	-167.9	-61.6	-163.2	151	0	0	116.2	D121	D121-E123 VanDerWaalsContact C-N 3.26Å; D121-E123 PolarHBondContact O-N 2.92Å
124	N	29.7	Very low	32.1	Very low	148 Å²	148	136.6 Å²	136.6	79%	0.791	70%	0.704	S	S	*	*			trans	-138.2	109.9	176.2	-79	-68.9	0	0	0	114	T126	N124-T126 PolarHBondContact O-N 3.13Å
125	N	28.4	Very low	32.4	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	70%	0.698	S	S	*	*			trans	-87.6	95.1	179.2	-73.7	-43.9	0	0	0	112.7
126	T	27.6	Very low	32.7	Very low	124 Å²	124	134.6 Å²	134.6	76%	0.761	70%	0.695	S	S	*	*			trans	-144.1	121.9	157.7	45.8	0	0	0	0	110	N124	N124-T126 PolarHBondContact O-N 3.13Å
127	A	29.6	Very low	32.9	Very low	68 Å²	68	132.4 Å²	132.4	56%	0.562	68%	0.682	S	S	*	*			trans	-87.3	144.5	-176.4	0	0	0	0	0	112.8	Y129	A127-Y129 HydrophobicContact CB-CD2 4.26Å; A127-Y129 HydrophobicContact CB-CE2 3.7Å
128	F	32.4	Very low	33.2	Very low	203 Å²	203	129.8 Å²	129.8	89%	0.89	67%	0.667	S	S	*	*			trans	-112.8	107	163.5	-84.1	-89.8	0	0	0	108.9
129	Y	33.8	Very low	33.4	Very low	186 Å²	186	130.8 Å²	130.8	73%	0.729	67%	0.67	S	S	*	*			trans	-82.1	130	173.2	-63	-87.7	0	0	0	109.6	A127	A127-Y129 HydrophobicContact CB-CD2 4.26Å; A127-Y129 HydrophobicContact CB-CE2 3.7Å
130	K	39.8	Very low	33.7	Very low	192 Å²	192	125.8 Å²	125.8	84%	0.835	65%	0.653	S	S	*	*			trans	-87	113.9	164.3	-85.6	-164	171.8	-169.9	0	108.8
131	E	34.8	Very low	33.9	Very low	135 Å²	135	123.2 Å²	123.2	63%	0.631	65%	0.645	S	S	*	*			trans	-56.9	144.6	176	-154.5	64.8	-132.9	0	0	111.1
132	G	36.6	Very low	34.4	Very low	23 Å²	23	124.4 Å²	124.4	24%	0.237	65%	0.651	C	S	.	*			trans	-124.1	140.3	174.7	0	0	0	0	0	110.3
133	S	33.8	Very low	33.9	Very low	111 Å²	111	116.1 Å²	116.1	78%	0.776	62%	0.621	S	S	*	*			trans	-59.5	144.5	-172.9	-58	0	0	0	0	113.5
134	W	36.5	Very low	34.3	Very low	105 Å²	105	110.6 Å²	110.6	40%	0.398	59%	0.594	S	S	.	*			trans	-112.2	140.6	-178.5	-67.7	102.1	0	0	0	110.3	L105 K107	L105-W134 HydrophobicContact CB-CE3 4.02Å; L105-W134 HydrophobicContact CB-CZ3 4.3Å; L105-W134 HydrophobicContact CD1-CE3 4.38Å; L105-W134 HydrophobicContact CD2-CB 4.17Å; K107-W134 HydrophobicContact CB-CE3 4.16Å; K107-W134 HydrophobicContact CB-CZ3 4.01Å; K107-W134 HydrophobicContact CD-CH2 4.49Å
135	I	39.8	Very low	34.7	Very low	98 Å²	98	109.6 Å²	109.6	50%	0.503	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	128.7	172.1	-164.1	168.7	0	0	0	110.8	L105 Y106	L105-I135 WeakPolarHBondContact CA-O 3.39Å; Y106-I135 PolarHBondContact N-O 3.33Å; Y106-I135 PolarHBondContact O-N 3.33Å
136	T	35.7	Very low	34.9	Very low	86 Å²	86	106.1 Å²	106.1	53%	0.528	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	177	39.5	0	0	0	0	110.6	H103 L105	H103-T136 HydrophobicContact CB-CG2 3.94Å; L105-T136 HydrophobicContact CD2-CG2 3.4Å; L105-T136 VanDerWaalsContact CD2-CG2 3.4Å; L105-T136 HydrophobicContact CG-CG2 4.38Å
137	V	36.1	Very low	35.1	Very low	72 Å²	72	104 Å²	104	44%	0.436	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	125.9	162.6	-178.3	0	0	0	0	108.1	V104 Y106	V104-V137 PolarHBondContact N-O 3.27Å; V104-V137 PolarHBondContact O-N 3.09Å; Y106-V137 HydrophobicContact CD2-CB 4.34Å; Y106-V137 HydrophobicContact CD2-CG2 3.8Å; Y106-V137 HydrophobicContact CE2-CB 4.07Å; Y106-V137 HydrophobicContact CE2-CG2 3.85Å
138	A	32.7	Very low	35.2	Very low	55 Å²	55	103.8 Å²	103.8	46%	0.455	56%	0.555	S	S	.	*			trans	-106.7	115.2	170.7	0	0	0	0	0	108.3
139	E	32.4	Very low	35.1	Very low	172 Å²	172	98.4 Å²	98.4	80%	0.804	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-74.4	135.9	176.1	-165.8	169	-146	0	0	109.5	S141	E139-S141 PolarHBondContact O-N 2.91Å
140	P	33	Very low	34.8	Very low	76 Å²	76	91.4 Å²	91.4	49%	0.494	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-70.5	122.9	-173.9	26.9	-34	0	0	0	112
141	S	32.9	Very low	34.4	Very low	62 Å²	62	89.1 Å²	89.1	43%	0.434	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-83.1	118.5	177	47.9	0	0	0	0	111.6	E139 G143	E139-S141 PolarHBondContact O-N 2.91Å; S141-G143 PolarHBondContact O-N 2.84Å
142	N	38.6	Very low	33.9	Very low	165 Å²	165	85.5 Å²	85.5	88%	0.882	51%	0.506	S	S	*	.			trans	-65.1	92.9	-178.8	-77.3	-55.4	0	0	0	112.5
143	G	31.1	Very low	33.5	Very low	21 Å²	21	92.2 Å²	92.2	22%	0.216	53%	0.53	C	S	.	.			trans	-135.5	32.1	-159.1	0	0	0	0	0	120.5	S141 Y145 S275	S141-G143 PolarHBondContact O-N 2.84Å; G143-Y145 PolarHBondContact O-N 3.29Å; G143-S275 CarbonylContact C-O 3.4Å; G143-S275 CarbonylContact O-C 3.39Å; G143-S275 PolarHBondContact O-N 3.18Å
144	K	44.3	Very low	33.2	Very low	62 Å²	62	97 Å²	97	27%	0.27	53%	0.533	S	S	.	.	S	Bend	trans	66.1	-42.5	170	-152.8	170.7	-117.7	-65.9	0	123.6	I274 S415 G416	K144-I274 VanDerWaalsContact CA-CG2 3.47Å; K144-S415 VanDerWaalsContact CE-C 3.48Å; K144-S415 WeakPolarHBondContact CE-O 3.25Å; K144-S415 VanDerWaalsContact NZ-C 3.34Å; K144-S415 PolarHBondContact NZ-O 2.71Å; K144-S415 PolarHBondContact NZ-OG 3.31Å; K144-G416 VanDerWaalsContact CB-O 3.27Å; K144-G416 WeakPolarHBondContact CB-O 3.24Å; K144-G416 WeakPolarHBondContact CD-O 2.98Å; K144-G416 WeakPolarHBondContact CE-O 3.2Å; K144-G416 WeakPolarHBondContact CG-O 3.47Å
145	Y	38.8	Very low	32.8	Very low	128 Å²	128	98.7 Å²	98.7	50%	0.502	55%	0.548	S	S	.	.	S	Bend	trans	-132.3	-176.1	177.7	-39.7	-99.7	0	0	0	114.8	G143 T147 I274 S275 N276	G143-Y145 PolarHBondContact O-N 3.29Å; Y145-T147 PolarHBondContact O-N 2.98Å; Y145-I274 CarbonylContact O-C 2.83Å; Y145-I274 WeakPolarHBondContact O-CA 3.23Å; Y145-I274 WeakPolarHBondContact O-CB 3.2Å; Y145-I274 WeakPolarHBondContact O-CG1 3.44Å; Y145-I274 WeakPolarHBondContact O-CG2 3.08Å; Y145-S275 VanDerWaalsContact C-OG 3.29Å; Y145-S275 PolarHBondContact O-N 3.05Å; Y145-S275 PolarHBondContact O-OG 3.36Å; Y145-S275 VanDerWaalsContact O-OG 3.05Å; Y145-N276 WeakPolarHBondContact CB-ND2 3.01Å; Y145-N276 HydrophobicContact CD2-CB 3.78Å; Y145-N276 HydrophobicContact CG-CB 4.18Å
146	A	31.7	Very low	32.2	Very low	84 Å²	84	101.1 Å²	101.1	69%	0.694	56%	0.559	S	S	*	*			trans	-90.2	103.3	-154.3	0	0	0	0	0	119.1	S275	A146-S275 PolarHBondContact N-OG 3.39Å
147	T	32.5	Very low	31.6	Very low	81 Å²	81	101.6 Å²	101.6	50%	0.497	56%	0.564	S	S	.	*			trans	-141.8	119.2	147.5	59.6	0	0	0	0	112.5	Y145 I274 S275	Y145-T147 PolarHBondContact O-N 2.98Å; T147-I274 PolarHBondContact O-N 3.48Å; T147-S275 PolarHBondContact N-OG 3.02Å; T147-S275 WeakPolarHBondContact OG1-CB 2.99Å
148	S	31.7	Very low	31.4	Very low	63 Å²	63	103.8 Å²	103.8	44%	0.441	58%	0.579	S	S	.	*			trans	-87	139.6	168.5	-36.3	0	0	0	0	109.7	S150 L186	S148-S150 PolarHBondContact O-N 2.95Å; S148-L186 WeakPolarHBondContact O-CD1 3.33Å
149	S	29.4	Very low	31.4	Very low	90 Å²	90	108.6 Å²	108.6	63%	0.629	60%	0.598	S	S	*	*			trans	-68.9	119.2	173	39.6	0	0	0	0	110.9
150	S	28	Very low	31.1	Very low	38 Å²	38	106 Å²	106	27%	0.266	59%	0.594	S	S	.	*			trans	-95.4	112.1	178.1	56.3	0	0	0	0	111.5	S148 S152 G185 L186	S148-S150 PolarHBondContact O-N 2.95Å; S150-S152 PolarHBondContact O-N 3.42Å; S150-S152 VanDerWaalsContact O-N 3.14Å; S150-G185 VanDerWaalsContact OG-C 3.28Å; S150-G185 VanDerWaalsContact OG-CA 3.23Å; S150-G185 WeakPolarHBondContact OG-CA 3.42Å; S150-G185 PolarHBondContact OG-N 2.91Å; S150-L186 PolarHBondContact OG-N 3.17Å
151	I	31	Very low	30.9	Very low	144 Å²	144	110 Å²	110	74%	0.738	61%	0.606	S	S	*	*			trans	-60.8	114.1	176.8	-61.6	170.4	0	0	0	110.4
152	S	25	Very low	30.6	Very low	60 Å²	60	115.7 Å²	115.7	42%	0.42	63%	0.626	S	S	.	*			trans	-100.2	98.4	174	58.4	0	0	0	0	111	S150 Y154	S150-S152 PolarHBondContact O-N 3.42Å; S150-S152 VanDerWaalsContact O-N 3.14Å; S152-Y154 PolarHBondContact O-N 3.48Å
153	H	28.1	Very low	30.1	Very low	164 Å²	164	113.5 Å²	113.5	76%	0.759	62%	0.618	S	S	*	*			trans	-69.4	89.2	175.6	-66.4	-73.9	0	0	0	111.9	I155	H153-I155 VanDerWaalsContact C-N 3.25Å; H153-I155 PolarHBondContact O-N 3.05Å
154	Y	27.3	Very low	29.8	Very low	211 Å²	211	116.2 Å²	116.2	83%	0.827	63%	0.634	S	S	*	*			trans	-73.1	81.1	164.4	-90.5	-78.3	0	0	0	110.6	S152 M156	S152-Y154 PolarHBondContact O-N 3.48Å; Y154-M156 PolarHBondContact O-N 3.44Å
155	I	28.4	Very low	29.1	Very low	141 Å²	141	114.9 Å²	114.9	72%	0.723	64%	0.638	S	S	*	*			trans	-70.9	84.3	158.6	-54.6	178.1	0	0	0	107.1	H153 P157	H153-I155 VanDerWaalsContact C-N 3.25Å; H153-I155 PolarHBondContact O-N 3.05Å; I155-P157 VanDerWaalsContact O-CD 3.24Å; I155-P157 WeakPolarHBondContact O-CD 3.06Å
156	M	26.8	Very low	28.5	Very low	148 Å²	148	109.2 Å²	109.2	73%	0.729	62%	0.616	S	S	*	*			trans	-58.5	115.3	151	-90.7	-100.8	57.8	0	0	106.4	Y154 P158	Y154-M156 PolarHBondContact O-N 3.44Å; M156-P158 WeakPolarHBondContact O-CD 3.14Å; M156-P158 VanDerWaalsContact O-N 3.15Å
157	P	23.5	Very low	28.4	Very low	96 Å²	96	108 Å²	108	62%	0.623	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.9	175.1	25.7	-33.2	0	0	0	108.4	I155	I155-P157 VanDerWaalsContact O-CD 3.24Å; I155-P157 WeakPolarHBondContact O-CD 3.06Å
158	P	33.2	Very low	28.3	Very low	118 Å²	118	106.9 Å²	106.9	77%	0.766	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-62.4	144	166	29.2	-33.6	0	0	0	108	M156	M156-P158 WeakPolarHBondContact O-CD 3.14Å; M156-P158 VanDerWaalsContact O-N 3.15Å
159	N	30.9	Very low	28.4	Very low	157 Å²	157	107.1 Å²	107.1	84%	0.84	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-59.4	159.5	167.6	-75.6	-56.8	0	0	0	110.1
160	T	26.1	Very low	28.5	Very low	117 Å²	117	105 Å²	105	72%	0.718	56%	0.559	S	S	*	*	S	Bend	trans	-54.9	159.5	177.5	42.7	0	0	0	0	113
161	E	29.2	Very low	29	Very low	161 Å²	161	105 Å²	105	75%	0.752	56%	0.556	S	S	*	*			trans	77.7	89.6	176.6	-61.5	146.4	-124.2	0	0	114.3
162	Q	26.8	Very low	29.4	Very low	181 Å²	181	100.1 Å²	100.1	85%	0.846	53%	0.53	S	S	*	.				87.6	151.6	74.1	-83.9	-170.4	1	0	0	114.4
163	T	27.4	Very low	30.2	Very low	119 Å²	119	99.9 Å²	99.9	73%	0.73	52%	0.52	S	S	*	.			trans	77	81.4	167.3	-40.9	0	0	0	0	116.4
164	S	26.3	Very low	30.8	Very low	77 Å²	77	93.8 Å²	93.8	54%	0.538	49%	0.492	S	S	.	.			trans	12.7	116.8	136.7	46.7	0	0	0	0	117.4
165	G	28.7	Very low	31.2	Very low	35 Å²	35	86 Å²	86	36%	0.361	46%	0.464	S	S	.	.			trans	-167	31.4	-170.2	0	0	0	0	0	115	K114 I167	K114-G165 CarbonylContact O-C 3.37Å; K114-G165 VanDerWaalsContact O-CA 3.24Å; K114-G165 WeakPolarHBondContact O-CA 3.18Å; G165-I167 PolarHBondContact O-N 2.89Å
166	N	26.4	Very low	31.4	Very low	9 Å²	9	83.6 Å²	83.6	5%	0.048	46%	0.456	C	S	.	.			trans	-44.7	127.6	157.8	162.5	47.8	0	0	0	110.9	D110 L112 N113 K114 H168	D110-N166 HydrophobicContact CB-CB 3.87Å; D110-N166 VanDerWaalsContact O-CB 3.28Å; D110-N166 WeakPolarHBondContact O-CB 3.49Å; D110-N166 PolarHBondContact O-ND2 2.94Å; D110-N166 PolarHBondContact O-OD1 3.26Å; D110-N166 VanDerWaalsContact O-OD1 3.08Å; D110-N166 WeakPolarHBondContact OD2-CB 3.4Å; D110-N166 PolarHBondContact OD2-N 3.15Å; L112-N166 PolarHBondContact N-ND2 3.05Å; N113-N166 CarbonylContact C-O 3.56Å; N113-N166 VanDerWaalsContact CA-ND2 3.28Å; N113-N166 WeakPolarHBondContact CA-ND2 2.98Å; N113-N166 VanDerWaalsContact CA-O 3.23Å; N113-N166 WeakPolarHBondContact CA-O 3.24Å; N113-N166 PolarHBondContact N-ND2 3.26Å; N113-N166 PolarHBondContact OD1-ND2 3.14Å; K114-N166 CarbonylContact C-O 3.59Å; K114-N166 VanDerWaalsContact C-O 3.29Å; K114-N166 PolarHBondContact N-O 2.63Å; N166-H168 PolarHBondContact OD1-N 3.15Å
167	I	30.3	Very low	31.9	Very low	59 Å²	59	82 Å²	82	30%	0.303	45%	0.446	S	S	.	.				-126.5	139.2	114.8	-65.4	-163.6	0	0	0	105.4	L109 N113 S115 G165 R169	L109-I167 WeakPolarHBondContact CD2-O 3.34Å; N113-I167 HydrophobicContact CB-CD1 4.24Å; N113-I167 HydrophobicContact CB-CG1 4.03Å; S115-I167 WeakPolarHBondContact OG-CD1 3.23Å; G165-I167 PolarHBondContact O-N 2.89Å; I167-R169 HydrophobicContact CG2-CG 4Å
168	H	29.4	Very low	32.7	Very low	56 Å²	56	80.6 Å²	80.6	26%	0.259	44%	0.437	S	S	.	.			trans	-66.5	-140.2	173.9	-156.2	-77.3	0	0	0	109.2	I88 S89 L109 N166	I88-H168 PolarHBondContact O-CE1 3.5Å; I88-H168 VanDerWaalsContact O-CE1 3.31Å; I88-H168 PolarHBondContact O-ND1 3.36Å; S89-H168 PolarHBondContact OG-CE1 3.39Å; S89-H168 VanDerWaalsContact OG-CE1 3.29Å; L109-H168 HydrophobicContact CB-CB 3.96Å; L109-H168 HydrophobicContact CD1-CB 4.18Å; N166-H168 PolarHBondContact OD1-N 3.15Å
169	R	35.2	Very low	32.7	Very low	69 Å²	69	83.7 Å²	83.7	26%	0.26	45%	0.446	S	S	.	.			trans	71.2	53.2	161.1	-37.9	-62.2	170.3	137.8	-15.6	112.4	I86 P87 I88 I167	I86-R169 HydrophobicContact CG2-CB 4.03Å; I86-R169 HydrophobicContact CG2-CG 3.54Å; I86-R169 PolarHBondContact O-NH1 3.33Å; P87-R169 VanDerWaalsContact O-CA 3.25Å; P87-R169 WeakPolarHBondContact O-CA 3.5Å; P87-R169 VanDerWaalsContact O-CB 3.3Å; P87-R169 WeakPolarHBondContact O-CB 3.24Å; P87-R169 WeakPolarHBondContact O-CD 3.17Å; I88-R169 WeakPolarHBondContact O-CD 3.21Å; I167-R169 HydrophobicContact CG2-CG 4Å
170	D	31.2	Very low	33.6	Very low	44 Å²	44	82.3 Å²	82.3	24%	0.235	44%	0.443	C	S	.	.			trans	75.6	124.8	156.2	-53.8	-34.3	0	0	0	114.8	P87 S89 S90	P87-D170 WeakPolarHBondContact CB-OD2 3.46Å; S89-D170 WeakPolarHBondContact CA-OD1 3.2Å; S90-D170 VanDerWaalsContact CB-CG 3.44Å; S90-D170 VanDerWaalsContact CB-OD1 3.29Å; S90-D170 WeakPolarHBondContact CB-OD1 3.03Å; S90-D170 WeakPolarHBondContact CB-OD2 3.09Å; S90-D170 PolarHBondContact N-OD1 2.98Å; S90-D170 WeakPolarHBondContact OG-CB 3.27Å; S90-D170 PolarHBondContact OG-OD1 3.45Å; S90-D170 PolarHBondContact OG-OD2 2.97Å
171	D	38.9	Very low	34.6	Very low	38 Å²	38	85.6 Å²	85.6	20%	0.203	45%	0.45	C	S	.	.				59.9	127.9	60	-153.2	24.7	0	0	0	107.4	W92	W92-D171 VanDerWaalsContact CD1-CG 3.43Å; W92-D171 PolarHBondContact NE1-OD1 3.39Å
172	K	39.1	Very low	35.7	Very low	42 Å²	42	84.6 Å²	84.6	18%	0.183	45%	0.446	C	S	.	.				-166.7	120	76.1	-89.5	-152	143.5	170.8	0	115	S76 L77 S90 S91 W92	S76-K172 VanDerWaalsContact CA-CD 3.48Å; S76-K172 WeakPolarHBondContact OG-CD 3.38Å; L77-K172 PolarHBondContact O-NZ 2.72Å; S90-K172 VanDerWaalsContact CB-CE 3.43Å; S90-K172 VanDerWaalsContact CB-NZ 3.33Å; S90-K172 WeakPolarHBondContact OG-CD 3.17Å; S90-K172 WeakPolarHBondContact OG-CE 3.39Å; S91-K172 VanDerWaalsContact N-NZ 3.13Å; S91-K172 PolarHBondContact O-NZ 3.46Å; W92-K172 HydrophobicContact CD2-CB 4.46Å; W92-K172 HydrophobicContact CD2-CD 3.52Å; W92-K172 HydrophobicContact CD2-CG 4.05Å; W92-K172 VanDerWaalsContact CE2-CB 3.41Å; W92-K172 VanDerWaalsContact CE2-CG 3.46Å; W92-K172 HydrophobicContact CE3-CD 3.77Å; W92-K172 VanDerWaalsContact CE3-CE 3.5Å; W92-K172 HydrophobicContact CG-CD 4.19Å; W92-K172 VanDerWaalsContact CG-CE 3.47Å; W92-K172 HydrophobicContact CG-CG 4.43Å; W92-K172 HydrophobicContact CH2-CB 4.37Å; W92-K172 HydrophobicContact CH2-CD 4.05Å; W92-K172 HydrophobicContact CZ2-CB 3.44Å; W92-K172 VanDerWaalsContact CZ2-CB 3.44Å; W92-K172 HydrophobicContact CZ2-CD 3.74Å; W92-K172 HydrophobicContact CZ2-CG 3.91Å; W92-K172 HydrophobicContact CZ3-CD 4.01Å; W92-K172 VanDerWaalsContact NE1-C 3.34Å
173	R	41	Very low	37.4	Very low	55 Å²	55	81.7 Å²	81.7	21%	0.208	44%	0.44	C	S	.	.			trans	1.4	153.3	161	-76.9	-176.3	-44.3	-178	-2.4	119.3	A71 W92 V93 S94	A71-R173 CarbonylContact O-C 3.18Å; W92-R173 HydrophobicContact CB-CG 4.44Å; W92-R173 HydrophobicContact CD2-CG 4.45Å; W92-R173 HydrophobicContact CG-CB 4.45Å; W92-R173 HydrophobicContact CG-CG 3.92Å; W92-R173 HydrophobicContact CZ2-CB 3.84Å; W92-R173 VanDerWaalsContact NE1-CG 3.27Å; W92-R173 PolarHBondContact O-NH1 2.61Å; W92-R173 VanDerWaalsContact O-NH1 3.09Å; V93-R173 PolarHBondContact O-NH1 3.24Å; V93-R173 PolarHBondContact O-NH2 2.89Å; S94-R173 VanDerWaalsContact N-NH1 3.12Å; S94-R173 PolarHBondContact OG-NH1 2.96Å
174	I	41.1	Very low	39.6	Very low	36 Å²	36	81 Å²	81	19%	0.185	43%	0.432	C	S	.	.				-162.3	-143.6	97.2	-72.5	128.2	0	0	0	105.4	D70 A71 R74 V176	D70-I174 HydrophobicContact CB-CG2 4.27Å; D70-I174 WeakPolarHBondContact O-CB 3.17Å; D70-I174 WeakPolarHBondContact O-CG2 3.48Å; A71-I174 VanDerWaalsContact CA-C 3.42Å; A71-I174 WeakPolarHBondContact O-CB 3.26Å; A71-I174 PolarHBondContact O-N 3.1Å; R74-I174 HydrophobicContact CB-CD1 3.39Å; R74-I174 HydrophobicContact CG-CD1 3.7Å; I174-V176 HydrophobicContact CG2-CG2 3.69Å
175	M	35	Very low	41.9	Very low	48 Å²	48	78.1 Å²	78.1	24%	0.236	42%	0.415	C	S	.	.			trans	59	104.5	-161.7	-85.1	-99.5	147.8	0	0	112.7	V67 D70 A71 H177	V67-M175 HydrophobicContact CB-CE 3.75Å; V67-M175 HydrophobicContact CB-SD 3.63Å; V67-M175 HydrophobicContact CG1-CE 3.38Å; V67-M175 HydrophobicContact CG1-SD 3.78Å; D70-M175 HydrophobicContact CB-CE 3.67Å; D70-M175 HydrophobicContact CB-CG 3.82Å; D70-M175 HydrophobicContact CB-SD 4.45Å; D70-M175 VanDerWaalsContact N-CG 3.27Å; A71-M175 HydrophobicContact CB-CB 4.22Å; A71-M175 HydrophobicContact CB-CG 4.19Å; M175-H177 HydrophobicContact SD-CB 4.46Å
176	V	33.1	Very low	43.9	Very low	91 Å²	91	78.1 Å²	78.1	55%	0.552	41%	0.406	S	S	*	.			cis	62.2	60	25.7	-159.8	0	0	0	0	113.2	D70 I174	D70-V176 HydrophobicContact CB-CB 4.44Å; I174-V176 HydrophobicContact CG2-CG2 3.69Å
177	H	36.5	Very low	46.1	Very low	114 Å²	114	82.1 Å²	82.1	53%	0.528	43%	0.425	S	S	.	.			trans	-163.7	170.8	139.7	-123	-89	0	0	0	111.6	L66 M175	L66-H177 HydrophobicContact CB-CB 4.38Å; L66-H177 WeakPolarHBondContact O-CB 3.29Å; M175-H177 HydrophobicContact SD-CB 4.46Å
178	P	40.7	Very low	48.5	Very low	66 Å²	66	84 Å²	84	43%	0.429	44%	0.435	S	S	.	.				-97.2	174.5	-90.9	38.9	-30.3	0	0	0	113.9	L66 V180	L66-P178 HydrophobicContact CB-CG 4.48Å; L66-P178 HydrophobicContact CD1-CG 3.98Å; P178-V180 PolarHBondContact O-N 3.14Å
179	L	34.5	Very low	50.6	Low	184 Å²	184	83.1 Å²	83.1	96%	0.963	44%	0.437	S	S	*	.			trans	-41.2	101.6	170.1	-66.4	157.5	0	0	0	113.1
180	V	48.4	Very low	52.5	Low	127 Å²	127	86.2 Å²	86.2	77%	0.77	45%	0.449	S	S	*	.			trans	-96.4	134.3	164.6	174.6	0	0	0	0	107.9	P178 E182	P178-V180 PolarHBondContact O-N 3.14Å; V180-E182 PolarHBondContact O-N 3.36Å; V180-E182 VanDerWaalsContact O-N 3.09Å
181	E	48.6	Very low	54.6	Low	186 Å²	186	88.5 Å²	88.5	87%	0.869	46%	0.461	S	S	*	.			trans	-73.7	97.6	179	-168.1	169.7	-159.2	0	0	109.7	V183	E181-V183 PolarHBondContact O-N 3.07Å
182	E	51	Low	56.4	Low	141 Å²	141	89.4 Å²	89.4	66%	0.659	47%	0.473	S	S	*	.			trans	-70.6	117.3	-179.4	-171.7	171.1	-171.2	0	0	110.5	V180 D184	V180-E182 PolarHBondContact O-N 3.36Å; V180-E182 VanDerWaalsContact O-N 3.09Å; E182-D184 PolarHBondContact O-N 3.28Å
183	V	63.4	Low	58.1	Low	119 Å²	119	95.3 Å²	95.3	72%	0.721	49%	0.494	S	S	*	.			trans	-76.1	114.2	176.8	175.9	0	0	0	0	108.9	E181 G185	E181-V183 PolarHBondContact O-N 3.07Å; V183-G185 PolarHBondContact O-N 3.33Å
184	D	72.4	Confident	59.6	Low	104 Å²	104	103.4 Å²	103.4	56%	0.556	53%	0.525	S	S	*	.			trans	-39.8	104.7	176	-90.4	-36.4	0	0	0	112.1	E182 L186 E187 L188	E182-D184 PolarHBondContact O-N 3.28Å; D184-L186 PolarHBondContact O-N 2.81Å; D184-E187 HydrophobicContact CB-CB 4.1Å; D184-E187 HydrophobicContact CB-CG 4.28Å; D184-E187 PolarHBondContact O-N 2.72Å; D184-L188 PolarHBondContact O-N 2.9Å; D184-L188 VanDerWaalsContact O-N 3.14Å
185	G	75.1	Confident	61.1	Low	18 Å²	18	106.1 Å²	106.1	19%	0.186	54%	0.54	C	S	.	.	H	α-helix	trans	-58.3	-23.6	175.7	0	0	0	0	0	112.1	S150 V183 L188 A189	S150-G185 VanDerWaalsContact OG-C 3.28Å; S150-G185 VanDerWaalsContact OG-CA 3.23Å; S150-G185 WeakPolarHBondContact OG-CA 3.42Å; S150-G185 PolarHBondContact OG-N 2.91Å; V183-G185 PolarHBondContact O-N 3.33Å; G185-L188 PolarHBondContact O-N 3.11Å; G185-A189 VanDerWaalsContact O-CB 3.24Å; G185-A189 WeakPolarHBondContact O-CB 3.14Å; G185-A189 PolarHBondContact O-N 3.13Å
186	L	71.6	Confident	63	Low	34 Å²	34	113 Å²	113	18%	0.178	56%	0.563	C	S	.	*	H	α-helix	trans	-72.7	-36.2	176.4	-144.8	153.6	0	0	0	112.3	S148 S150 D184 A189 R190	S148-L186 WeakPolarHBondContact O-CD1 3.33Å; S150-L186 PolarHBondContact OG-N 3.17Å; D184-L186 PolarHBondContact O-N 2.81Å; L186-A189 PolarHBondContact O-N 2.91Å; L186-R190 HydrophobicContact CD2-CG 4.25Å; L186-R190 VanDerWaalsContact CD2-NE 3.32Å; L186-R190 WeakPolarHBondContact O-CB 3.15Å; L186-R190 VanDerWaalsContact O-CG 3.23Å; L186-R190 WeakPolarHBondContact O-CG 3.29Å; L186-R190 PolarHBondContact O-N 3.42Å
187	E	72.5	Confident	64	Low	93 Å²	93	111.7 Å²	111.7	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-69.3	-41.2	169.4	-83.7	-56.2	119.2	0	0	111.4	D184 A189 R190 L191	D184-E187 HydrophobicContact CB-CB 4.1Å; D184-E187 HydrophobicContact CB-CG 4.28Å; D184-E187 PolarHBondContact O-N 2.72Å; E187-A189 VanDerWaalsContact C-N 3.3Å; E187-A189 PolarHBondContact O-N 3.36Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 WeakPolarHBondContact OE1-CD 3.15Å; E187-R190 IonicContact OE1-CZ 3.43Å; E187-R190 IonicContact OE1-NE 2.71Å; E187-R190 IonicContact OE1-NH1 3.21Å; E187-R190 PolarHBondContact OE1-NH1 3.32Å; E187-L191 WeakPolarHBondContact O-CB 3.22Å; E187-L191 PolarHBondContact O-N 2.94Å
188	L	80.7	Confident	65	Low	99 Å²	99	113.3 Å²	113.3	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-60.2	-41.4	173.4	-173.4	61.5	0	0	0	111.5	D184 G185 L191 A192	D184-L188 PolarHBondContact O-N 2.9Å; D184-L188 VanDerWaalsContact O-N 3.14Å; G185-L188 PolarHBondContact O-N 3.11Å; L188-L191 PolarHBondContact O-N 3.04Å; L188-A192 VanDerWaalsContact O-CB 3.27Å; L188-A192 WeakPolarHBondContact O-CB 3.15Å; L188-A192 PolarHBondContact O-N 3.02Å
189	A	73.7	Confident	65.4	Low	37 Å²	37	117 Å²	117	31%	0.306	58%	0.577	S	S	.	*	H	α-helix	trans	-72.1	-28.5	175.7	0	0	0	0	0	113.8	G185 L186 E187 R193	G185-A189 VanDerWaalsContact O-CB 3.24Å; G185-A189 WeakPolarHBondContact O-CB 3.14Å; G185-A189 PolarHBondContact O-N 3.13Å; L186-A189 PolarHBondContact O-N 2.91Å; E187-A189 VanDerWaalsContact C-N 3.3Å; E187-A189 PolarHBondContact O-N 3.36Å; A189-R193 WeakPolarHBondContact O-CB 3.34Å; A189-R193 WeakPolarHBondContact O-CG 3.24Å; A189-R193 PolarHBondContact O-N 2.82Å; A189-R193 PolarHBondContact O-NE 2.91Å
190	R	74.3	Confident	66.1	Low	134 Å²	134	116.3 Å²	116.3	51%	0.506	57%	0.566	S	S	.	*	H	α-helix	trans	-68.8	-47.9	169.5	-79.6	163.9	174.7	159.4	5.6	110.2	L186 E187 R193 R194	L186-R190 HydrophobicContact CD2-CG 4.25Å; L186-R190 VanDerWaalsContact CD2-NE 3.32Å; L186-R190 WeakPolarHBondContact O-CB 3.15Å; L186-R190 VanDerWaalsContact O-CG 3.23Å; L186-R190 WeakPolarHBondContact O-CG 3.29Å; L186-R190 PolarHBondContact O-N 3.42Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 WeakPolarHBondContact OE1-CD 3.15Å; E187-R190 IonicContact OE1-CZ 3.43Å; E187-R190 IonicContact OE1-NE 2.71Å; E187-R190 IonicContact OE1-NH1 3.21Å; E187-R190 PolarHBondContact OE1-NH1 3.32Å; R190-R193 PolarHBondContact O-N 3.37Å; R190-R194 VanDerWaalsContact O-CB 3.31Å; R190-R194 WeakPolarHBondContact O-CB 3.28Å; R190-R194 PolarHBondContact O-N 2.9Å
191	L	76	Confident	65.9	Low	93 Å²	93	115 Å²	115	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-61.7	-47.1	178.1	-177.4	62.3	0	0	0	111.7	E187 L188 R193 R194 L195	E187-L191 WeakPolarHBondContact O-CB 3.22Å; E187-L191 PolarHBondContact O-N 2.94Å; L188-L191 PolarHBondContact O-N 3.04Å; L191-R193 PolarHBondContact O-N 3.32Å; L191-R194 PolarHBondContact O-N 3.01Å; L191-L195 HydrophobicContact CD1-CD1 3.92Å; L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 3.92Å; L191-L195 WeakPolarHBondContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 3.27Å
192	A	76.6	Confident	65.7	Low	57 Å²	57	112.9 Å²	112.9	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-60.2	-44.1	177.5	0	0	0	0	0	112.5	L188 L195 W196	L188-A192 VanDerWaalsContact O-CB 3.27Å; L188-A192 WeakPolarHBondContact O-CB 3.15Å; L188-A192 PolarHBondContact O-N 3.02Å; A192-L195 PolarHBondContact O-N 2.96Å; A192-W196 PolarHBondContact O-N 2.95Å; A192-W196 VanDerWaalsContact O-N 3.1Å
193	R	73.6	Confident	65	Low	165 Å²	165	110.6 Å²	110.6	62%	0.623	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-35.6	174.6	-75.5	-178	-75.3	-176.4	-4.6	112.5	A189 R190 L191 W196	A189-R193 WeakPolarHBondContact O-CB 3.34Å; A189-R193 WeakPolarHBondContact O-CG 3.24Å; A189-R193 PolarHBondContact O-N 2.82Å; A189-R193 PolarHBondContact O-NE 2.91Å; R190-R193 PolarHBondContact O-N 3.37Å; L191-R193 PolarHBondContact O-N 3.32Å; R193-W196 WeakPolarHBondContact O-CB 3.23Å; R193-W196 PolarHBondContact O-N 3.38Å
194	R	73.8	Confident	63.8	Low	225 Å²	225	107.5 Å²	107.5	85%	0.849	52%	0.524	S	S	*	.	H	α-helix	trans	-72.5	-27.8	177.7	-155.3	178.6	-162.7	107	-2.2	113.2	R190 L191	R190-R194 VanDerWaalsContact O-CB 3.31Å; R190-R194 WeakPolarHBondContact O-CB 3.28Å; R190-R194 PolarHBondContact O-N 2.9Å; L191-R194 PolarHBondContact O-N 3.01Å
195	L	71.5	Confident	62.1	Low	94 Å²	94	109.5 Å²	109.5	49%	0.492	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.4	173.2	-71.2	171.8	0	0	0	113.6	I51 L191 A192 D197	I51-L195 HydrophobicContact CD1-CD1 4.11Å; L191-L195 HydrophobicContact CD1-CD1 3.92Å; L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 3.92Å; L191-L195 WeakPolarHBondContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 3.27Å; A192-L195 PolarHBondContact O-N 2.96Å; L195-D197 PolarHBondContact O-N 2.87Å
196	W	75.1	Confident	60.2	Low	191 Å²	191	112.4 Å²	112.4	72%	0.723	55%	0.545	S	S	*	.	S	Bend	trans	-68.6	114.9	176.8	-169.7	-95.6	0	0	0	110.3	A192 R193 H198	A192-W196 PolarHBondContact O-N 2.95Å; A192-W196 VanDerWaalsContact O-N 3.1Å; R193-W196 WeakPolarHBondContact O-CB 3.23Å; R193-W196 PolarHBondContact O-N 3.38Å; W196-H198 VanDerWaalsContact C-N 3.26Å; W196-H198 AromaticContact CD1-CE1 3.92Å; W196-H198 AromaticContact CD1-NE2 3.93Å; W196-H198 PolarHBondContact O-CD2 2.77Å; W196-H198 PolarHBondContact O-N 3.16Å
197	D	55	Low	58.3	Low	65 Å²	65	119.2 Å²	119.2	35%	0.348	58%	0.58	S	S	.	*			trans	-63.7	70.7	-175.9	-95.4	-38.2	0	0	0	113.2	R48 L195 N199 K200	R48-D197 IonicContact NH2-OD2 3.1Å; R48-D197 PolarHBondContact NH2-OD2 3.41Å; L195-D197 PolarHBondContact O-N 2.87Å; D197-N199 PolarHBondContact O-N 2.94Å; D197-K200 HydrophobicContact CB-CG 4.44Å; D197-K200 PolarHBondContact O-N 3.32Å
198	H	57.1	Low	56.4	Low	147 Å²	147	117.5 Å²	117.5	68%	0.681	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-57.9	-19.3	169.7	-69.5	-77.7	0	0	0	112.2	W196 K200	W196-H198 VanDerWaalsContact C-N 3.26Å; W196-H198 AromaticContact CD1-CE1 3.92Å; W196-H198 AromaticContact CD1-NE2 3.93Å; W196-H198 PolarHBondContact O-CD2 2.77Å; W196-H198 PolarHBondContact O-N 3.16Å; H198-K200 PolarHBondContact O-N 3.34Å; H198-K200 VanDerWaalsContact O-N 3.11Å
199	N	48.3	Very low	54.1	Low	145 Å²	145	118.7 Å²	118.7	78%	0.775	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-67.5	2.3	172.3	-70.3	-36.7	0	0	0	114.7	D197 T201	D197-N199 PolarHBondContact O-N 2.94Å; N199-T201 PolarHBondContact O-N 3.36Å
200	K	49.5	Very low	51.8	Low	169 Å²	169	124.6 Å²	124.6	74%	0.735	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-67.5	16	167.5	-81.4	-177.5	179.1	172	0	114.9	D197 H198	D197-K200 HydrophobicContact CB-CG 4.44Å; D197-K200 PolarHBondContact O-N 3.32Å; H198-K200 PolarHBondContact O-N 3.34Å; H198-K200 VanDerWaalsContact O-N 3.11Å
201	T	44.2	Very low	49.7	Very low	98 Å²	98	125.4 Å²	125.4	60%	0.601	64%	0.64	S	S	*	*	S	Bend	trans	-127.1	141.2	157.1	83.4	0	0	0	0	111.4	N199	N199-T201 PolarHBondContact O-N 3.36Å
202	K	44	Very low	47.4	Very low	143 Å²	143	128.9 Å²	128.9	62%	0.622	65%	0.651	S	S	*	*			trans	88.8	51.3	152.7	-59.6	-176.4	179.2	174.1	0	122.1	I5	I5-K202 VanDerWaalsContact CD1-CA 3.48Å; I5-K202 HydrophobicContact CD1-CB 3.38Å; I5-K202 HydrophobicContact CD1-CD 4.31Å; I5-K202 HydrophobicContact CD1-CG 3.63Å; I5-K202 HydrophobicContact CG2-CB 4.12Å; I5-K202 HydrophobicContact CG2-CD 3.94Å; I5-K202 HydrophobicContact CG2-CG 4.31Å
203	Y	37.3	Very low	45.3	Very low	93 Å²	93	133.1 Å²	133.1	37%	0.365	67%	0.672	S	S	.	*				55.3	124.4	129.7	-65.2	-140.2	0	0	0	121.6	N3 I5 V41	N3-Y203 HydrophobicContact CB-CD1 3.69Å; N3-Y203 HydrophobicContact CB-CE1 3.92Å; N3-Y203 VanDerWaalsContact ND2-CE1 3.34Å; N3-Y203 WeakPolarHBondContact ND2-CE1 3.47Å; I5-Y203 HydrophobicContact CD1-CD2 4.15Å; I5-Y203 HydrophobicContact CD1-CG 3.91Å; V41-Y203 HydrophobicContact CB-CD1 3.97Å; V41-Y203 VanDerWaalsContact CG1-C 3.45Å; V41-Y203 HydrophobicContact CG1-CD1 4.31Å; V41-Y203 HydrophobicContact CG1-CG 4.49Å; V41-Y203 WeakPolarHBondContact CG1-O 3.31Å; V41-Y203 VanDerWaalsContact O-CB 3.31Å; V41-Y203 WeakPolarHBondContact O-CB 3.34Å; V41-Y203 WeakPolarHBondContact O-CD1 3.5Å
204	G	37.3	Very low	43.1	Very low	54 Å²	54	128.6 Å²	128.6	56%	0.557	68%	0.676	S	S	*	*			trans	-146.8	65.9	172.4	0	0	0	0	0	121.3	K42	K42-G204 CarbonylContact O-C 3.13Å; K42-G204 WeakPolarHBondContact O-CA 3.39Å; K42-G204 PolarHBondContact O-N 3.41Å; K42-G204 VanDerWaalsContact O-O 3.06Å
205	K	36.8	Very low	40.9	Very low	145 Å²	145	122.7 Å²	122.7	63%	0.63	67%	0.67	S	S	*	*			trans	33.9	113.1	154	-157.7	170.3	-176.5	-177.5	0	120.1	V41 K42	V41-K205 HydrophobicContact CB-CB 4.43Å; V41-K205 HydrophobicContact CG1-CB 3.99Å; V41-K205 HydrophobicContact CG2-CB 3.74Å; V41-K205 HydrophobicContact CG2-CD 4.29Å; V41-K205 HydrophobicContact CG2-CG 3.9Å; K42-K205 PolarHBondContact O-N 3.49Å
206	S	36.3	Very low	39.1	Very low	79 Å²	79	128 Å²	128	55%	0.552	69%	0.689	S	S	*	*			trans	-76	141.8	166	53.7	0	0	0	0	112.9
207	I	31.5	Very low	37.2	Very low	177 Å²	177	124.5 Å²	124.5	91%	0.908	69%	0.694	S	S	*	*			trans	-84.2	148.9	-178.5	-61.7	157.4	0	0	0	110.9
208	G	31.1	Very low	36	Very low	58 Å²	58	127.7 Å²	127.7	60%	0.598	72%	0.719	S	S	*	*			trans	140.8	116.1	157.8	0	0	0	0	0	118.4
209	S	32.6	Very low	35.2	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	73%	0.727	S	S	*	*			trans	61.6	156.9	149.4	52.9	0	0	0	0	121.9
210	N	26.4	Very low	34.5	Very low	160 Å²	160	129.4 Å²	129.4	86%	0.856	73%	0.733	S	S	*	*			trans	-116	175	-173.1	-64.9	-35.1	0	0	0	112.8
211	E	30.6	Very low	34.3	Very low	151 Å²	151	127 Å²	127	71%	0.706	74%	0.738	S	S	*	*			trans	80.6	115.4	150.6	-103.3	-168.3	130.5	0	0	123
212	K	27.6	Very low	34.2	Very low	166 Å²	166	128.6 Å²	128.6	72%	0.722	75%	0.747	S	S	*	*			trans	66.1	156	138.8	-80.2	172.8	-172.2	155.2	0	122.2
213	T	31.4	Very low	34	Very low	147 Å²	147	127.3 Å²	127.3	90%	0.902	75%	0.754	S	S	*	*			trans	64.1	138.8	162.4	37.4	0	0	0	0	120.1
214	G	27.4	Very low	34.7	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	78%	0.783	S	S	*	*			trans	113.4	69.1	140.9	0	0	0	0	0	119.3
215	S	28.5	Very low	34.7	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	80%	0.798	S	S	*	*			trans	26.4	126	136.7	57.5	0	0	0	0	122.4
216	K	32.6	Very low	35	Very low	205 Å²	205	143.9 Å²	143.9	89%	0.891	81%	0.808	S	S	*	*			trans	64.4	106.3	139.2	-60.4	174.1	-179.6	177.7	0	120.1
217	S	35.1	Very low	35.3	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	82%	0.816	S	S	*	*				-164.4	137.2	123.3	61.8	0	0	0	0	111.5
218	C	30.2	Very low	36.1	Very low	132 Å²	132	143.2 Å²	143.2	89%	0.892	81%	0.811	S	S	*	*			trans	-91.7	135.8	171	-70.4	0	0	0	0	111.2
219	S	40.1	Very low	36.8	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	82%	0.815	S	S	*	*			trans	-133.6	130.6	154.1	56.1	0	0	0	0	108.9
220	K	34.8	Very low	38	Very low	208 Å²	208	147.6 Å²	147.6	90%	0.904	81%	0.814	S	S	*	*			trans	-90.6	134	-177.4	-62.9	174.1	-178.4	174.7	0	109
221	S	44.4	Very low	38.8	Very low	119 Å²	119	151.1 Å²	151.1	83%	0.832	82%	0.815	S	S	*	*			trans	-116.3	131	164.4	54.2	0	0	0	0	110.1
222	T	42.5	Very low	39.9	Very low	131 Å²	131	151.6 Å²	151.6	80%	0.804	82%	0.821	S	S	*	*			trans	-77	140.1	-166.9	-46.1	0	0	0	0	111.8
223	P	39.1	Very low	40.4	Very low	116 Å²	116	155.1 Å²	155.1	75%	0.753	83%	0.83	S	S	*	*			trans	-65.7	139	176.3	26.5	-35.2	0	0	0	112.5	R225	P223-R225 PolarHBondContact O-N 3.03Å; P223-R225 VanDerWaalsContact O-N 3.12Å
224	L	52.8	Low	40.9	Very low	186 Å²	186	153.6 Å²	153.6	97%	0.974	83%	0.826	S	S	*	*			trans	-69.2	101.2	174.9	-72.9	160.9	0	0	0	110.6
225	R	36.9	Very low	41.5	Very low	230 Å²	230	156.4 Å²	156.4	87%	0.868	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-87.9	133.3	168.3	-168.4	178.2	-177.5	-172.8	0.9	109.9	P223	P223-R225 PolarHBondContact O-N 3.03Å; P223-R225 VanDerWaalsContact O-N 3.12Å
226	R	43.8	Very low	41.9	Very low	223 Å²	223	157 Å²	157	84%	0.842	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-61.4	132.2	176.7	-161.9	176.9	-167.4	168.6	2.2	110.3
227	P	42.7	Very low	42.2	Very low	113 Å²	113	156.4 Å²	156.4	73%	0.734	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.1	169.2	-17.2	30.9	0	0	0	110.1
228	T	47.5	Very low	42.3	Very low	129 Å²	129	157 Å²	157	79%	0.791	83%	0.83	S	S	*	*	S	Bend	trans	-101.2	-16.5	177	-51.5	0	0	0	0	112.6
229	V	46.4	Very low	42.3	Very low	113 Å²	113	157.3 Å²	157.3	69%	0.685	83%	0.827	S	S	*	*			trans	-137.3	122.4	179.1	-177.3	0	0	0	0	109.4	R231	V229-R231 HydrophobicContact CG1-CG 4.44Å; V229-R231 PolarHBondContact O-N 2.95Å
230	L	56.7	Low	42	Very low	161 Å²	161	159.3 Å²	159.3	84%	0.843	83%	0.827	S	S	*	*			trans	-80.4	100.6	167.6	-82.9	160.2	0	0	0	108.8	L232	L230-L232 PolarHBondContact O-N 2.97Å
231	R	44.8	Very low	41.9	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	82%	0.818	S	S	*	*			trans	-81.4	89.2	168.6	-89.9	-172.8	163.1	-179.2	-5.8	109.9	V229	V229-R231 HydrophobicContact CG1-CG 4.44Å; V229-R231 PolarHBondContact O-N 2.95Å
232	L	53.6	Low	41.3	Very low	160 Å²	160	156.4 Å²	156.4	84%	0.838	82%	0.821	S	S	*	*			trans	-59.3	135.4	159.5	-59.3	178.2	0	0	0	108.4	L230	L230-L232 PolarHBondContact O-N 2.97Å
233	R	38	Very low	41	Very low	241 Å²	241	157.7 Å²	157.7	91%	0.909	82%	0.82	S	S	*	*			trans	-92.7	112.5	171.5	-75.1	179.3	172.4	141.6	-5.6	107.9
234	S	41.1	Very low	40.6	Very low	115 Å²	115	158.9 Å²	158.9	80%	0.804	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.9	131.1	154.1	42.5	0	0	0	0	108.4
235	T	40.7	Very low	39.5	Very low	127 Å²	127	160.4 Å²	160.4	78%	0.779	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.3	130	176.7	-45	0	0	0	0	108.6	Q237	T235-Q237 PolarHBondContact O-N 3.21Å
236	P	36	Very low	39.3	Very low	114 Å²	114	154 Å²	154	74%	0.74	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.3	-179.7	27.3	-33.7	0	0	0	110.9
237	Q	39.8	Very low	38.8	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.6	148.2	160.8	-72.9	-174.1	-8.2	0	0	109.7	T235	T235-Q237 PolarHBondContact O-N 3.21Å
238	T	35.9	Very low	38.3	Very low	131 Å²	131	149.6 Å²	149.6	80%	0.804	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90	138.3	-168.7	-54.6	0	0	0	0	111.3	L240	T238-L240 PolarHBondContact O-N 2.8Å
239	V	31.8	Very low	37.5	Very low	137 Å²	137	148.5 Å²	148.5	83%	0.83	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.9	121.5	171.5	177	0	0	0	0	109.7
240	L	33	Very low	36.8	Very low	162 Å²	162	150 Å²	150	85%	0.848	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89	145.3	161.1	-74.1	170.8	0	0	0	109.6	T238	T238-L240 PolarHBondContact O-N 2.8Å
241	S	32.8	Very low	35.8	Very low	102 Å²	102	148.9 Å²	148.9	71%	0.713	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.9	155.7	-176	51.9	0	0	0	0	113.2	M243	S241-M243 PolarHBondContact O-N 2.84Å
242	D	31.7	Very low	35.2	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-49.2	130.3	166.8	-75.1	-64.2	0	0	0	111.7
243	M	36.8	Very low	34.6	Very low	158 Å²	158	148.7 Å²	148.7	78%	0.778	81%	0.806	S	S	*	*			trans	-133.6	150.4	163.3	-87.3	-86.1	74.7	0	0	109	S241	S241-M243 PolarHBondContact O-N 2.84Å
244	D	29.3	Very low	34.4	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	80%	0.803	S	S	*	*			trans	-67.6	144	-155.2	-77.2	-71.1	0	0	0	116.4	S246	D244-S246 PolarHBondContact O-N 3.09Å
245	K	31	Very low	34.3	Very low	217 Å²	217	145.3 Å²	145.3	94%	0.943	80%	0.8	S	S	*	*			trans	-69.2	94.3	174.9	-65.8	171.4	-177.4	169.4	0	110.8
246	S	32.2	Very low	34.5	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	80%	0.798	S	S	*	*			trans	-142.7	139.4	163.5	61.5	0	0	0	0	111.4	D244	D244-S246 PolarHBondContact O-N 3.09Å
247	S	32.1	Very low	35.1	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	81%	0.805	S	S	*	*	S	Bend	trans	47.4	80.9	177.4	40.9	0	0	0	0	116
248	V	32.9	Very low	35.8	Very low	133 Å²	133	146.3 Å²	146.3	81%	0.806	80%	0.803	S	S	*	*				87.1	102.6	81.3	167	0	0	0	0	113.9
249	S	31.9	Very low	36.2	Very low	107 Å²	107	148.1 Å²	148.1	75%	0.748	81%	0.808	S	S	*	*			trans	50.5	144.1	146.9	65.9	0	0	0	0	122.3
250	N	30.6	Very low	36.9	Very low	144 Å²	144	146 Å²	146	77%	0.77	80%	0.799	S	S	*	*			cis	-170.6	164.2	-19.4	-165.6	10.1	0	0	0	108.1
251	I	36.5	Very low	37.4	Very low	137 Å²	137	143.1 Å²	143.1	70%	0.703	80%	0.799	S	S	*	*			trans	70.5	101	167.1	-45.1	169.1	0	0	0	116.8	F253	I251-F253 HydrophobicContact CG2-CD2 4.46Å
252	Q	32.2	Very low	38.4	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	80%	0.801	S	S	*	*			trans	-142.6	149	135.9	-165.5	166.3	-0.9	0	0	107.9
253	F	39.5	Very low	38.9	Very low	198 Å²	198	146.6 Å²	146.6	87%	0.868	80%	0.801	S	S	*	*			trans	-118.7	150.3	-171.3	-103.4	-96.9	0	0	0	111.5	I251	I251-F253 HydrophobicContact CG2-CD2 4.46Å
254	E	33.9	Very low	39.6	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	80%	0.802	S	S	*	*			trans	-137.8	123.3	176.1	-170.9	175	176.5	0	0	112.4
255	S	40.2	Very low	40.5	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	81%	0.806	S	S	*	*			trans	54.7	142.5	153.8	-56.7	0	0	0	0	123
256	P	44.7	Very low	41	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	81%	0.808	S	S	*	*			trans	-119.1	168.3	-172.9	43.2	-32.6	0	0	0	116.7
257	D	49.1	Very low	41.6	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	81%	0.807	S	S	*	*			trans	-78.8	146.3	175.1	-68.8	-55.1	0	0	0	114.5
258	M	53.6	Low	42.1	Very low	177 Å²	177	151.5 Å²	151.5	87%	0.872	81%	0.813	S	S	*	*			trans	-148.1	96.4	177.1	-76.6	-75.1	-174.8	0	0	110.4
259	D	44.7	Very low	42.1	Very low	170 Å²	170	153.5 Å²	153.5	91%	0.909	81%	0.813	S	S	*	*			trans	-148.3	47.3	-173.4	-143.8	6.3	0	0	0	113.8
260	S	46.9	Very low	43	Very low	92 Å²	92	155.1 Å²	155.1	64%	0.643	82%	0.819	S	S	*	*			trans	-146.3	89.2	175	-162.2	0	0	0	0	111.8	F262	S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.37Å
261	A	43.3	Very low	43.4	Very low	102 Å²	102	154.8 Å²	154.8	84%	0.843	82%	0.817	S	S	*	*			trans	-81	134.5	170.9	0	0	0	0	0	110.4
262	F	52.7	Low	43.5	Very low	172 Å²	172	154.4 Å²	154.4	75%	0.754	82%	0.815	S	S	*	*			trans	-115.6	121.2	173.9	-76.6	-89	0	0	0	109.7	S260	S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.37Å
263	D	43.2	Very low	43.8	Very low	167 Å²	167	148.8 Å²	148.8	89%	0.893	79%	0.792	S	S	*	*			trans	-69.1	135.4	174.9	-65.9	-57.8	0	0	0	111.4
264	L	52.1	Low	43.8	Very low	150 Å²	150	141 Å²	141	79%	0.785	76%	0.759	S	S	*	*			trans	-130.1	143.1	156.8	-79.5	102.7	0	0	0	109.4
265	A	46.4	Very low	43.9	Very low	103 Å²	103	134.3 Å²	134.3	85%	0.851	73%	0.731	S	S	*	*			trans	-83.7	144.5	-163.8	0	0	0	0	0	113.8
266	W	42.6	Very low	43.8	Very low	257 Å²	257	133.7 Å²	133.7	97%	0.973	72%	0.72	S	S	*	*			trans	-110.4	80	-179.5	-75.3	77.7	0	0	0	110.5
267	D	45.4	Very low	43.5	Very low	120 Å²	120	133.4 Å²	133.4	64%	0.642	72%	0.716	S	S	*	*			trans	-156.1	100.5	179.3	-171.3	-2.9	0	0	0	111.3
268	H	41.4	Very low	42.9	Very low	196 Å²	196	131.6 Å²	131.6	91%	0.907	70%	0.703	S	S	*	*			trans	-164.4	110.1	155.6	-81.4	-28.1	0	0	0	108.5
269	E	34.1	Very low	42.1	Very low	174 Å²	174	129 Å²	129	81%	0.813	70%	0.696	S	S	*	*			trans	-91.7	171.5	-174.8	-55.6	174.5	133.2	0	0	113.2
270	V	49.5	Very low	41.4	Very low	142 Å²	142	130.2 Å²	130.2	86%	0.861	69%	0.688	S	S	*	*			trans	164.1	152	138.8	156	0	0	0	0	111.5
271	D	39.2	Very low	40.7	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	70%	0.702	S	S	*	*			trans	-120	178.8	-151	-53.7	-97.7	0	0	0	117.2
272	L	39.7	Very low	40.1	Very low	129 Å²	129	138.4 Å²	138.4	68%	0.675	70%	0.701	S	S	*	*			trans	128.6	107.3	140.1	-65.9	169.3	0	0	0	120.4
273	N	38.4	Very low	39.1	Very low	76 Å²	76	141.7 Å²	141.7	41%	0.406	71%	0.71	S	S	.	*				65.3	128	120.7	-80.8	-8.2	0	0	0	126.8
274	I	38.5	Very low	38.4	Very low	35 Å²	35	137 Å²	137	18%	0.179	70%	0.701	C	S	.	*				119	167.5	123.5	-75.7	171	0	0	0	121.9	K144 Y145 T147	K144-I274 VanDerWaalsContact CA-CG2 3.47Å; Y145-I274 CarbonylContact O-C 2.83Å; Y145-I274 WeakPolarHBondContact O-CA 3.23Å; Y145-I274 WeakPolarHBondContact O-CB 3.2Å; Y145-I274 WeakPolarHBondContact O-CG1 3.44Å; Y145-I274 WeakPolarHBondContact O-CG2 3.08Å; T147-I274 PolarHBondContact O-N 3.48Å
275	S	36.9	Very low	37.3	Very low	38 Å²	38	139.1 Å²	139.1	27%	0.266	70%	0.704	S	S	.	*			trans	-137.7	-125.4	-152.6	68.7	0	0	0	0	124	G143 Y145 A146 T147	G143-S275 CarbonylContact C-O 3.4Å; G143-S275 CarbonylContact O-C 3.39Å; G143-S275 PolarHBondContact O-N 3.18Å; Y145-S275 VanDerWaalsContact C-OG 3.29Å; Y145-S275 PolarHBondContact O-N 3.05Å; Y145-S275 PolarHBondContact O-OG 3.36Å; Y145-S275 VanDerWaalsContact O-OG 3.05Å; A146-S275 PolarHBondContact N-OG 3.39Å; T147-S275 PolarHBondContact N-OG 3.02Å; T147-S275 WeakPolarHBondContact OG1-CB 2.99Å
276	N	36.8	Very low	36.6	Very low	93 Å²	93	142.7 Å²	142.7	50%	0.497	70%	0.703	S	S	.	*			cis	-169	167.1	-0.4	-158.7	9.9	0	0	0	117.7	Y145	Y145-N276 WeakPolarHBondContact CB-ND2 3.01Å; Y145-N276 HydrophobicContact CD2-CB 3.78Å; Y145-N276 HydrophobicContact CG-CB 4.18Å
277	T	39.1	Very low	35.9	Very low	109 Å²	109	136.1 Å²	136.1	67%	0.669	69%	0.691	S	S	*	*			trans	63.7	163	154.5	37.9	0	0	0	0	124
278	E	35.9	Very low	35.1	Very low	126 Å²	126	138.4 Å²	138.4	59%	0.589	70%	0.702	S	S	*	*			cis	-164.4	-174.9	-24.7	-159.7	-99.5	107.4	0	0	110.2	R280	E278-R280 IonicContact OE1-NH1 3.67Å; E278-R280 IonicContact OE2-CZ 2.86Å; E278-R280 IonicContact OE2-NH1 2.67Å; E278-R280 PolarHBondContact OE2-NH1 2.82Å
279	V	36.3	Very low	34.5	Very low	121 Å²	121	138 Å²	138	73%	0.733	70%	0.701	S	S	*	*			trans	91.2	147.6	157.2	-179.9	0	0	0	0	120.8
280	R	30.2	Very low	34.3	Very low	197 Å²	197	135.2 Å²	135.2	74%	0.743	70%	0.7	S	S	*	*			cis	-178.3	161	-41.6	-139.1	143.3	170.1	164	-10.7	114.3	E278	E278-R280 IonicContact OE1-NH1 3.67Å; E278-R280 IonicContact OE2-CZ 2.86Å; E278-R280 IonicContact OE2-NH1 2.67Å; E278-R280 PolarHBondContact OE2-NH1 2.82Å
281	R	33.5	Very low	33.3	Very low	249 Å²	249	135 Å²	135	94%	0.94	70%	0.699	S	S	*	*			trans	87.8	161.8	167.1	-62.1	-169.3	-172.7	147.1	5.4	121.1
282	S	30.3	Very low	32.9	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	70%	0.704	S	S	*	*			trans	-155	167	-165.5	51.5	0	0	0	0	115.1
283	Y	31.7	Very low	32.3	Very low	241 Å²	241	135.3 Å²	135.3	95%	0.945	71%	0.708	S	S	*	*			trans	-129.2	169.5	178.8	-77.5	-83.6	0	0	0	112.1
284	G	28	Very low	31.7	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	73%	0.729	S	S	*	*			trans	-166.4	158	175.2	0	0	0	0	0	118
285	K	29.2	Very low	31.2	Very low	195 Å²	195	147.1 Å²	147.1	85%	0.848	76%	0.76	S	S	*	*			trans	42.4	118.7	160.1	-46.9	179.2	-178.5	178.8	0	117.4
286	H	32.2	Very low	30.8	Very low	178 Å²	178	154.6 Å²	154.6	82%	0.824	79%	0.788	S	S	*	*				-164.7	168.2	74.5	-116.7	-88.2	0	0	0	115.8
287	V	27.8	Very low	30.5	Very low	118 Å²	118	157.1 Å²	157.1	72%	0.715	80%	0.801	S	S	*	*			trans	-65.6	137.2	-176.2	177.3	0	0	0	0	114.9
288	L	27.7	Very low	30	Very low	168 Å²	168	156.9 Å²	156.9	88%	0.88	80%	0.804	S	S	*	*				-169.2	155.9	119.4	-104	172.8	0	0	0	113.2
289	Q	29.1	Very low	29.8	Very low	189 Å²	189	159.3 Å²	159.3	88%	0.883	82%	0.815	S	S	*	*			trans	-114.7	121.1	-178.3	-173.9	178.4	20.1	0	0	108.5
290	S	30	Very low	29.5	Very low	115 Å²	115	156.6 Å²	156.6	80%	0.804	81%	0.812	S	S	*	*			trans	-120.8	158	176.2	56.9	0	0	0	0	111.6
291	V	29.3	Very low	29.6	Very low	136 Å²	136	156.2 Å²	156.2	82%	0.824	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-84.5	150.6	-172.1	177.9	0	0	0	0	111	S293	V291-S293 PolarHBondContact O-N 3.42Å
292	I	30.9	Very low	29.4	Very low	162 Å²	162	149.6 Å²	149.6	83%	0.831	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58.2	116.7	177.6	-61	164.4	0	0	0	110.4
293	S	26.1	Very low	29.3	Very low	110 Å²	110	151.2 Å²	151.2	77%	0.769	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.4	137.6	164	-68.2	0	0	0	0	110.2	V291	V291-S293 PolarHBondContact O-N 3.42Å
294	H	26.4	Very low	29.3	Very low	181 Å²	181	147.9 Å²	147.9	84%	0.838	80%	0.802	S	S	*	*			trans	-101.8	82.6	-176.6	-179.7	-61.8	0	0	0	110.1
295	E	28.6	Very low	29.2	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	81%	0.811	S	S	*	*			trans	-136.8	108.6	175	-148.1	152.8	-131.2	0	0	108.4
296	F	28.9	Very low	29.3	Very low	195 Å²	195	152 Å²	152	86%	0.855	81%	0.806	S	S	*	*			trans	-120.1	69.9	-165	-145.7	-70.2	0	0	0	109.3
297	D	30.3	Very low	29.1	Very low	146 Å²	146	148.8 Å²	148.8	78%	0.781	80%	0.801	S	S	*	*			trans	-106.4	138.7	168.5	-89.3	-46.3	0	0	0	110.1
298	S	28.5	Very low	29	Very low	104 Å²	104	153.3 Å²	153.3	73%	0.727	81%	0.805	S	S	*	*	S	Bend	trans	5.7	125.4	166.3	58.1	0	0	0	0	118
299	E	31.9	Very low	28.9	Very low	176 Å²	176	152.7 Å²	152.7	82%	0.822	80%	0.803	S	S	*	*			cis	-145.5	86.8	32.4	-65.4	179.1	129	0	0	113	H301	E299-H301 PolarHBondContact O-N 3.47Å
300	G	28.2	Very low	28.8	Very low	65 Å²	65	153.6 Å²	153.6	67%	0.67	80%	0.798	S	S	*	*			trans	-78.9	81.5	177.6	0	0	0	0	0	114.2	C302	G300-C302 PolarHBondContact O-N 2.71Å
301	H	32.4	Very low	28.9	Very low	188 Å²	188	157.5 Å²	157.5	87%	0.87	80%	0.801	S	S	*	*			trans	-75.3	68.5	171.8	-83.8	-19.2	0	0	0	113.1	E299	E299-H301 PolarHBondContact O-N 3.47Å
302	C	30.5	Very low	28.9	Very low	110 Å²	110	160.3 Å²	160.3	74%	0.743	80%	0.803	S	S	*	*			trans	-106.7	105.1	172.4	-63.8	0	0	0	0	111.6	G300	G300-C302 PolarHBondContact O-N 2.71Å
303	N	26.8	Very low	29	Very low	151 Å²	151	160.3 Å²	160.3	81%	0.807	80%	0.804	S	S	*	*			trans	25.6	94.1	155.1	-64.6	-25.1	0	0	0	118.2
304	Q	32.3	Very low	29.1	Very low	170 Å²	170	159.1 Å²	159.1	79%	0.794	80%	0.796	S	S	*	*			trans	-129.1	114.8	150.8	-70.1	-162.5	7.4	0	0	111.5	I306	Q304-I306 PolarHBondContact O-N 3.04Å
305	F	26.9	Very low	29.2	Very low	205 Å²	205	158.4 Å²	158.4	90%	0.899	79%	0.79	S	S	*	*			trans	-73.4	109.2	168	-72.2	-99.1	0	0	0	109.1
306	I	31.1	Very low	29.4	Very low	145 Å²	145	158.2 Å²	158.2	74%	0.744	79%	0.79	S	S	*	*			trans	-108.4	119.2	166.1	-60.9	-177.5	0	0	0	107.9	Q304	Q304-I306 PolarHBondContact O-N 3.04Å
307	P	28.5	Very low	29.3	Very low	112 Å²	112	157.5 Å²	157.5	73%	0.727	79%	0.786	S	S	*	*			trans	-82.6	146.8	-166.4	31.9	-36	0	0	0	113.3
308	R	23.8	Very low	29.1	Very low	212 Å²	212	155.3 Å²	155.3	80%	0.8	78%	0.782	S	S	*	*			trans	36	119.3	160.2	-80.1	-174	167.5	102.9	-4.2	117.3
309	N	27.3	Very low	29.6	Very low	156 Å²	156	155.5 Å²	155.5	83%	0.834	78%	0.781	S	S	*	*				-135.9	134.8	119.7	-122.7	-30.5	0	0	0	111.6
310	R	26.4	Very low	29.6	Very low	207 Å²	207	153.9 Å²	153.9	78%	0.781	78%	0.784	S	S	*	*			trans	-107.9	99	171.7	-76.7	-176.9	-179.4	169	-3.8	107.7
311	F	31.8	Very low	29.4	Very low	197 Å²	197	157.6 Å²	157.6	86%	0.864	79%	0.786	S	S	*	*			trans	-139.5	140.3	158	-96	-75	0	0	0	111.1	D313	F311-D313 PolarHBondContact O-N 2.69Å
312	F	29.9	Very low	29.3	Very low	196 Å²	196	154.5 Å²	154.5	86%	0.86	78%	0.783	S	S	*	*			trans	-82.9	106.6	-179.9	-76.4	-107	0	0	0	109.7	S314	F312-S314 PolarHBondContact O-N 3.41Å
313	D	31.5	Very low	29.2	Very low	161 Å²	161	155.4 Å²	155.4	86%	0.861	79%	0.785	S	S	*	*			trans	-79.7	100.7	165.9	-116.8	-45.9	0	0	0	110.2	F311 K315	F311-D313 PolarHBondContact O-N 2.69Å; D313-K315 PolarHBondContact O-N 3Å
314	S	28.2	Very low	29.1	Very low	86 Å²	86	154.1 Å²	154.1	60%	0.601	78%	0.783	S	S	*	*			trans	-100.1	77.7	-165.3	44.8	0	0	0	0	111.7	F312	F312-S314 PolarHBondContact O-N 3.41Å
315	K	30.1	Very low	29	Very low	165 Å²	165	156.8 Å²	156.8	72%	0.717	79%	0.787	S	S	*	*			trans	-148.2	134.4	177.5	-55.7	-69.1	166.4	-95.7	0	107.5	D313	D313-K315 PolarHBondContact O-N 3Å
316	Q	32.5	Very low	29.1	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.822	77%	0.773	S	S	*	*			cis	-142	158.4	11.1	-57.6	-177.2	28.1	0	0	113.1
317	K	27.1	Very low	29.2	Very low	179 Å²	179	151.1 Å²	151.1	78%	0.778	77%	0.774	S	S	*	*			trans	13.6	125	143	-62.3	173.5	-179.9	178.4	0	118.6
318	S	25	Very low	29	Very low	101 Å²	101	155 Å²	155	71%	0.706	78%	0.776	S	S	*	*				72	150.6	50.6	82.6	0	0	0	0	115.2
319	P	38.8	Very low	29.4	Very low	108 Å²	108	150.3 Å²	150.3	70%	0.701	77%	0.773	S	S	*	*			cis	-137.1	168.1	-17.2	39.4	-22.8	0	0	0	115.4
320	T	33.3	Very low	29.5	Very low	142 Å²	142	148.8 Å²	148.8	87%	0.871	76%	0.764	S	S	*	*			trans	-138.7	143.2	155.2	-56.5	0	0	0	0	109.7
321	I	24	Very low	29.5	Very low	142 Å²	142	146.9 Å²	146.9	73%	0.728	77%	0.765	S	S	*	*			trans	-116.2	127.9	-170.3	-62	164.3	0	0	0	110.8
322	P	29	Very low	29.3	Very low	124 Å²	124	143.6 Å²	143.6	81%	0.805	76%	0.761	S	S	*	*			trans	-96.2	135.8	152.3	-9.6	28.8	0	0	0	111.1
323	T	29	Very low	29.2	Very low	129 Å²	129	139.7 Å²	139.7	79%	0.791	76%	0.758	S	S	*	*			trans	-75.1	132.2	-174.7	43.6	0	0	0	0	114.5
324	V	25.6	Very low	29.1	Very low	124 Å²	124	137.8 Å²	137.8	75%	0.752	76%	0.757	S	S	*	*			trans	7.3	123.3	132.4	179.9	0	0	0	0	116.6
325	Y	30.2	Very low	29.1	Very low	226 Å²	226	140.9 Å²	140.9	89%	0.886	77%	0.772	S	S	*	*				-160.4	134.4	121.1	-124.7	-92.7	0	0	0	111.8
326	D	27.8	Very low	29.2	Very low	111 Å²	111	137.9 Å²	137.9	59%	0.594	78%	0.778	S	S	*	*			trans	-89	155.3	169.3	-130	-50.3	0	0	0	108.2	Y328	D326-Y328 PolarHBondContact OD1-N 3.49Å; D326-Y328 VanDerWaalsContact OD1-N 3.11Å
327	P	33.9	Very low	29.1	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	78%	0.777	S	S	*	*				-147.6	146.6	70.6	37.1	-17.6	0	0	0	116.9
328	Y	23	Very low	29.2	Very low	194 Å²	194	136.2 Å²	136.2	76%	0.761	78%	0.78	S	S	*	*			trans	-47.8	145.4	152.8	-88.3	-103.1	0	0	0	112.8	D326	D326-Y328 PolarHBondContact OD1-N 3.49Å; D326-Y328 VanDerWaalsContact OD1-N 3.11Å
329	P	33.6	Very low	29.4	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	79%	0.785	S	S	*	*				-136.1	131.9	92.2	36.7	-25.5	0	0	0	116.2
330	N	28.2	Very low	29	Very low	123 Å²	123	137.6 Å²	137.6	66%	0.658	79%	0.785	S	S	*	*			trans	50.7	105.1	138.4	-59.2	-21.8	0	0	0	122
331	Q	27.2	Very low	28.8	Very low	168 Å²	168	141.4 Å²	141.4	79%	0.785	78%	0.783	S	S	*	*				73.3	122.8	128.6	-58.6	-175.7	26.1	0	0	121.1
332	T	27.6	Very low	29.1	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	78%	0.781	S	S	*	*			trans	73.7	111.2	152.8	48.4	0	0	0	0	121.1
333	S	26.8	Very low	29.2	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	77%	0.77	S	S	*	*			trans	58.2	81.6	150.4	60.6	0	0	0	0	120.2
334	S	30.9	Very low	29.6	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	78%	0.775	S	S	*	*				-168.3	142.9	104.5	46.3	0	0	0	0	110.8
335	V	27.8	Very low	30	Very low	152 Å²	152	144.3 Å²	144.3	92%	0.921	78%	0.776	S	S	*	*			trans	-116.9	111.6	-179.4	176.4	0	0	0	0	109.6
336	A	31.5	Very low	30	Very low	101 Å²	101	143.1 Å²	143.1	84%	0.835	78%	0.778	S	S	*	*			trans	-154.4	93.1	166.3	0	0	0	0	0	109.2
337	I	30.3	Very low	30.5	Very low	156 Å²	156	142.4 Å²	142.4	80%	0.8	78%	0.78	S	S	*	*			trans	-131.3	122.7	173.7	-60.6	-179.7	0	0	0	108.5
338	L	28.6	Very low	30.3	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	78%	0.783	S	S	*	*			trans	-106	122.1	171.3	-70	169.8	0	0	0	109.2
339	P	30.4	Very low	30.9	Very low	123 Å²	123	140.8 Å²	140.8	80%	0.799	78%	0.78	S	S	*	*			trans	-83.6	164.5	167.1	-7.7	26.4	0	0	0	112
340	V	29.6	Very low	30.7	Very low	115 Å²	115	143 Å²	143	70%	0.697	79%	0.786	S	S	*	*			trans	-139.5	147.5	-169.4	165.1	0	0	0	0	110.7
341	R	30.1	Very low	31	Very low	223 Å²	223	144 Å²	144	84%	0.842	79%	0.791	S	S	*	*			trans	70.7	154.2	175.5	-75.2	162	-169.8	155	2	114.5
342	N	30.9	Very low	31.1	Very low	126 Å²	126	141 Å²	141	67%	0.674	77%	0.773	S	S	*	*			cis	-152.8	146	36.1	-147.8	62.2	0	0	0	114.6
343	D	30.9	Very low	31.2	Very low	108 Å²	108	144.9 Å²	144.9	58%	0.578	77%	0.773	S	S	*	*			trans	25.4	115.8	151.7	-47.7	-21	0	0	0	122.9
344	N	37	Very low	31.5	Very low	169 Å²	169	146.1 Å²	146.1	90%	0.904	78%	0.776	S	S	*	*				-175.7	111.6	119.8	-96.3	-26.6	0	0	0	110.4
345	F	33.2	Very low	31.4	Very low	177 Å²	177	145.7 Å²	145.7	78%	0.776	77%	0.773	S	S	*	*			trans	-103	121.4	-168.9	-86.6	-89.9	0	0	0	114.5	P347	F345-P347 HydrophobicContact CD1-CG 4.13Å
346	H	31.3	Very low	31.9	Very low	200 Å²	200	144 Å²	144	93%	0.926	77%	0.768	S	S	*	*			trans	-144.7	85	153.5	-89.2	-67.2	0	0	0	110.2
347	P	38.7	Very low	32	Very low	96 Å²	96	146.8 Å²	146.8	62%	0.623	77%	0.769	S	S	*	*			trans	-104.7	108.4	-177	36.4	-29.7	0	0	0	113.4	F345	F345-P347 HydrophobicContact CD1-CG 4.13Å
348	I	29.6	Very low	32	Very low	167 Å²	167	150.6 Å²	150.6	86%	0.856	77%	0.773	S	S	*	*			trans	-139.6	77.6	153.6	-52.4	-179.6	0	0	0	108.2
349	T	35	Very low	32.2	Very low	114 Å²	114	150.8 Å²	150.8	70%	0.699	77%	0.774	S	S	*	*			trans	-153.6	107.5	169.3	46.8	0	0	0	0	110.7	N351	T349-N351 PolarHBondContact O-N 3.17Å
350	D	29.5	Very low	32.6	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	78%	0.776	S	S	*	*			trans	-74.9	98.4	165.1	-70.7	-65.2	0	0	0	110
351	N	34	Very low	32.6	Very low	146 Å²	146	149.2 Å²	149.2	78%	0.781	78%	0.779	S	S	*	*			trans	-139	101.2	175.2	-87	-57.3	0	0	0	109.6	T349	T349-N351 PolarHBondContact O-N 3.17Å
352	R	30.5	Very low	32.5	Very low	105 Å²	105	146.8 Å²	146.8	40%	0.396	78%	0.783	S	S	.	*			trans	-124.2	22.1	-160.6	-149.2	170.1	-177.8	-71	-67.6	115.2	I377 P378	R352-I377 PolarHBondContact NH1-O 3Å; R352-P378 VanDerWaalsContact NH2-N 3.15Å; R352-P378 PolarHBondContact NH2-O 3.28Å
353	W	29.7	Very low	32.6	Very low	208 Å²	208	145.6 Å²	145.6	79%	0.788	79%	0.791	S	S	*	*			trans	-136	97.5	-170.4	-68.1	99	0	0	0	113.9	I377	W353-I377 HydrophobicContact CE3-CD1 3.8Å; W353-I377 HydrophobicContact CH2-CD1 3.5Å; W353-I377 VanDerWaalsContact CH2-CD1 3.5Å; W353-I377 HydrophobicContact CZ2-CD1 4.28Å; W353-I377 HydrophobicContact CZ3-CD1 3.22Å
354	V	31.2	Very low	32.4	Very low	139 Å²	139	146.8 Å²	146.8	84%	0.842	81%	0.806	S	S	*	*			trans	-147.6	93.3	156.6	-176.4	0	0	0	0	105.6
355	S	29.6	Very low	32.1	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	80%	0.804	S	S	*	*				83.1	125.1	85.5	-61.9	0	0	0	0	114.2
356	S	39.1	Very low	31.9	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	80%	0.801	S	S	*	*			trans	-90.7	155.1	-177.2	-48.8	0	0	0	0	112.5
357	D	31.9	Very low	31.9	Very low	160 Å²	160	137.5 Å²	137.5	86%	0.856	80%	0.796	S	S	*	*			trans	-162.2	149.7	153.6	-132.7	-23.7	0	0	0	116.5
358	R	31.4	Very low	31.5	Very low	235 Å²	235	142.4 Å²	142.4	89%	0.887	81%	0.808	S	S	*	*			trans	99.4	131.3	166.7	-59.5	-169.7	172.8	-155.4	-4.4	122.2
359	L	31.8	Very low	31.4	Very low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.804	S	S	*	*			trans	-109.7	-160.8	176.5	-59.7	163.9	0	0	0	109.2
360	P	39.9	Very low	31.5	Very low	130 Å²	130	143 Å²	143	84%	0.844	81%	0.806	S	S	*	*				-119.4	173.4	-56.8	32.7	-18.5	0	0	0	112.3
361	G	30.5	Very low	31.7	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	80%	0.796	S	S	*	*			trans	174.3	139.2	166.2	0	0	0	0	0	115.4
362	N	27.9	Very low	31.8	Very low	173 Å²	173	138.8 Å²	138.8	93%	0.925	79%	0.787	S	S	*	*			trans	-103.7	130.5	178.7	-74.7	-27	0	0	0	111.9
363	A	32.7	Very low	32.3	Very low	101 Å²	101	139 Å²	139	84%	0.835	81%	0.805	S	S	*	*			trans	-150.8	143.6	161.6	0	0	0	0	0	109.9
364	C	25.4	Very low	32.9	Very low	132 Å²	132	137.6 Å²	137.6	89%	0.892	81%	0.807	S	S	*	*			trans	-106.1	115.2	-170.9	-60.7	0	0	0	0	112.8
365	S	30.6	Very low	33.1	Very low	123 Å²	123	137.2 Å²	137.2	86%	0.86	81%	0.805	S	S	*	*			trans	-168.8	136.5	146.7	54.5	0	0	0	0	112.3
366	G	28.6	Very low	33	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	80%	0.795	S	S	*	*	S	Bend	trans	70.6	111.2	150.8	0	0	0	0	0	120
367	I	31.3	Very low	33	Very low	159 Å²	159	132.8 Å²	132.8	82%	0.815	77%	0.772	S	S	*	*	S	Bend	trans	66.1	95.1	144	-46.2	176.9	0	0	0	117.1
368	K	31.6	Very low	33	Very low	199 Å²	199	129.6 Å²	129.6	87%	0.865	76%	0.76	S	S	*	*			trans	61.4	101	153.3	-60.2	-174.1	177.7	-174	0	119.1
369	K	26.9	Very low	33.5	Very low	179 Å²	179	122.7 Å²	122.7	78%	0.778	75%	0.747	S	S	*	*			trans	-82.1	166.8	138.9	-71.5	-173.8	175.1	-178.1	0	109.4	I371	K369-I371 HydrophobicContact CB-CD1 4.44Å; K369-I371 HydrophobicContact CD-CD1 3.92Å; K369-I371 HydrophobicContact CG-CD1 3.8Å
370	P	37.2	Very low	33.8	Very low	115 Å²	115	118.7 Å²	118.7	75%	0.747	73%	0.733	S	S	*	*			cis	-107.1	164.9	-2.6	43.6	-34.2	0	0	0	111.8
371	I	34.6	Very low	33.3	Very low	123 Å²	123	119.2 Å²	119.2	63%	0.631	73%	0.729	S	S	*	*			cis	75	139.2	32.4	-58.1	178	0	0	0	112.3	K369	K369-I371 HydrophobicContact CB-CD1 4.44Å; K369-I371 HydrophobicContact CD-CD1 3.92Å; K369-I371 HydrophobicContact CG-CD1 3.8Å
372	P	35.3	Very low	33.7	Very low	91 Å²	91	123 Å²	123	59%	0.591	73%	0.731	S	S	*	*			cis	-123.6	137.9	-9.8	31.7	-13.7	0	0	0	114.9	Q374	P372-Q374 VanDerWaalsContact C-N 3.32Å; P372-Q374 PolarHBondContact O-N 2.67Å
373	S	40.2	Very low	34	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	60.9	161.5	61.5	0	0	0	0	111.6
374	Q	42.4	Very low	33.9	Very low	177 Å²	177	124.5 Å²	124.5	83%	0.827	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	-2.2	-179.3	-97.3	-176.4	-7	0	0	116.2	P372	P372-Q374 VanDerWaalsContact C-N 3.32Å; P372-Q374 PolarHBondContact O-N 2.67Å
375	T	36.1	Very low	33.8	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	71%	0.712	S	S	*	*	S	Bend	trans	-76.1	-2.8	152.9	44.9	0	0	0	0	112.1	I377	T375-I377 PolarHBondContact O-N 3.01Å; T375-I377 VanDerWaalsContact O-N 3.12Å
376	A	27.9	Very low	33.9	Very low	69 Å²	69	123.2 Å²	123.2	57%	0.57	71%	0.712	S	S	*	*			trans	-78.3	88.9	179.9	0	0	0	0	0	112.1	P378	A376-P378 WeakPolarHBondContact O-CD 3.38Å
377	I	39.1	Very low	34	Very low	66 Å²	66	124.5 Å²	124.5	34%	0.338	71%	0.706	S	S	.	*			trans	-85	108.7	171.2	-56.3	178.8	0	0	0	107.7	R352 W353 T375 C379	R352-I377 PolarHBondContact NH1-O 3Å; W353-I377 HydrophobicContact CE3-CD1 3.8Å; W353-I377 HydrophobicContact CH2-CD1 3.5Å; W353-I377 VanDerWaalsContact CH2-CD1 3.5Å; W353-I377 HydrophobicContact CZ2-CD1 4.28Å; W353-I377 HydrophobicContact CZ3-CD1 3.22Å; T375-I377 PolarHBondContact O-N 3.01Å; T375-I377 VanDerWaalsContact O-N 3.12Å; I377-C379 PolarHBondContact O-N 2.8Å; I377-C379 PolarHBondContact O-SG 3.08Å
378	P	32.4	Very low	33.9	Very low	93 Å²	93	122.9 Å²	122.9	60%	0.604	71%	0.709	S	S	*	*			trans	-72.7	106.9	-150.9	25.7	-36.4	0	0	0	116.3	R352 A376 S380	R352-P378 VanDerWaalsContact NH2-N 3.15Å; R352-P378 PolarHBondContact NH2-O 3.28Å; A376-P378 WeakPolarHBondContact O-CD 3.38Å; P378-S380 VanDerWaalsContact C-N 3.25Å; P378-S380 PolarHBondContact O-N 3.26Å
379	C	40.4	Very low	33.8	Very low	91 Å²	91	119.6 Å²	119.6	62%	0.615	70%	0.701	S	S	*	*			trans	-68.1	38.4	-164.6	-56.9	0	0	0	0	119	I377 L382	I377-C379 PolarHBondContact O-N 2.8Å; I377-C379 PolarHBondContact O-SG 3.08Å; C379-L382 HydrophobicContact CB-CD1 4.35Å
380	S	37.7	Very low	33.7	Very low	85 Å²	85	116.8 Å²	116.8	59%	0.594	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	132.6	165.7	55.3	0	0	0	0	111.1	P378	P378-S380 VanDerWaalsContact C-N 3.25Å; P378-S380 PolarHBondContact O-N 3.26Å
381	N	29.5	Very low	33.4	Very low	141 Å²	141	116.3 Å²	116.3	75%	0.754	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.8	9.8	180	-56.3	5.6	0	0	0	117.6	I383	N381-I383 PolarHBondContact O-N 2.77Å
382	L	39.4	Very low	33.1	Very low	154 Å²	154	117.8 Å²	117.8	81%	0.806	71%	0.712	S	S	*	*			trans	-73.3	60	151.1	-76.5	173.8	0	0	0	110.4	C379	C379-L382 HydrophobicContact CB-CD1 4.35Å
383	I	34	Very low	32.8	Very low	137 Å²	137	119.8 Å²	119.8	70%	0.703	72%	0.723	S	S	*	*			trans	-143.2	89.6	-178.8	-48.4	178	0	0	0	110.3	N381	N381-I383 PolarHBondContact O-N 2.77Å
384	L	30.5	Very low	32.2	Very low	167 Å²	167	121.6 Å²	121.6	87%	0.874	72%	0.724	S	S	*	*			trans	-174.5	79.7	134.4	-103	167.9	0	0	0	109.9
385	S	24.5	Very low	31.7	Very low	96 Å²	96	120.2 Å²	120.2	67%	0.671	73%	0.727	S	S	*	*			trans	-73.2	131.5	168.1	-49.2	0	0	0	0	109.8	T387	S385-T387 VanDerWaalsContact C-N 3.28Å; S385-T387 PolarHBondContact O-N 2.81Å
386	P	32.6	Very low	31.2	Very low	133 Å²	133	121.3 Å²	121.3	86%	0.864	72%	0.723	S	S	*	*			trans	-71.2	88.8	160.3	-11.3	27.9	0	0	0	108.1	S388	P386-S388 PolarHBondContact O-N 3.46Å
387	T	31.4	Very low	31.1	Very low	96 Å²	96	126.7 Å²	126.7	59%	0.589	73%	0.73	S	S	*	*			trans	-64.3	126.9	171.1	47.5	0	0	0	0	109.1	S385 N389	S385-T387 VanDerWaalsContact C-N 3.28Å; S385-T387 PolarHBondContact O-N 2.81Å; T387-N389 WeakPolarHBondContact CB-OD1 3.29Å; T387-N389 PolarHBondContact O-N 3.25Å; T387-N389 PolarHBondContact OG1-OD1 2.84Å; T387-N389 VanDerWaalsContact OG1-OD1 3.07Å
388	S	28.9	Very low	30.6	Very low	125 Å²	125	131.2 Å²	131.2	87%	0.874	76%	0.755	S	S	*	*			trans	-69.5	74.4	167.9	55.5	0	0	0	0	109.5	P386 S390	P386-S388 PolarHBondContact O-N 3.46Å; S388-S390 PolarHBondContact O-N 2.74Å
389	N	28.3	Very low	30.4	Very low	130 Å²	130	131.8 Å²	131.8	70%	0.695	77%	0.767	S	S	*	*			trans	-69.7	112.8	179.9	-88.7	15.1	0	0	0	110.2	T387	T387-N389 WeakPolarHBondContact CB-OD1 3.29Å; T387-N389 PolarHBondContact O-N 3.25Å; T387-N389 PolarHBondContact OG1-OD1 2.84Å; T387-N389 VanDerWaalsContact OG1-OD1 3.07Å
390	S	26.1	Very low	29.9	Very low	120 Å²	120	130.8 Å²	130.8	84%	0.839	77%	0.773	S	S	*	*			trans	-57.1	132.6	156.7	53.4	0	0	0	0	110.6	S388	S388-S390 PolarHBondContact O-N 2.74Å
391	S	29.2	Very low	29.5	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	79%	0.787	S	S	*	*			trans	-142	140.2	161.4	56.6	0	0	0	0	110.1
392	N	30	Very low	29.6	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	79%	0.792	S	S	*	*			trans	62.6	68.6	174.5	-62.3	19.4	0	0	0	116.1
393	V	27.6	Very low	29.1	Very low	134 Å²	134	135.3 Å²	135.3	81%	0.812	79%	0.791	S	S	*	*				-54.7	128.8	122.3	172.8	0	0	0	0	107.6
394	D	28	Very low	28.8	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	79%	0.792	S	S	*	*			trans	174.9	67.7	148.2	-90.7	-15.1	0	0	0	111.7
395	T	32.8	Very low	28.6	Very low	148 Å²	148	138 Å²	138	91%	0.908	80%	0.795	S	S	*	*			trans	-137.7	124.4	152.6	-40.3	0	0	0	0	111.1
396	E	24.9	Very low	29	Very low	154 Å²	154	140.9 Å²	140.9	72%	0.72	80%	0.802	S	S	*	*			trans	-77	175.1	-169.5	-158.1	174.4	-161.6	0	0	114.2
397	Y	26.2	Very low	28.8	Very low	183 Å²	183	138.5 Å²	138.5	72%	0.718	79%	0.793	S	S	*	*			trans	66.6	93.6	168.9	-66	-79.4	0	0	0	120
398	N	27.9	Very low	28.6	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	81%	0.807	S	S	*	*				-163.3	160.3	90.3	-108.6	-72.4	0	0	0	113.9
399	A	28.6	Very low	28.7	Very low	105 Å²	105	143.1 Å²	143.1	87%	0.868	80%	0.803	S	S	*	*			trans	-96.7	105.2	-172.4	0	0	0	0	0	112.9
400	G	29	Very low	28.9	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	81%	0.805	S	S	*	*			trans	-161.8	115.9	175.4	0	0	0	0	0	111.7
401	K	30.3	Very low	29.1	Very low	207 Å²	207	144.5 Å²	144.5	90%	0.9	80%	0.8	S	S	*	*			trans	-62.9	156.5	-169.5	-62.7	173.2	179.6	174.9	0	114.3
402	V	30.6	Very low	29.4	Very low	141 Å²	141	147.5 Å²	147.5	86%	0.855	81%	0.808	S	S	*	*			trans	93.5	135.6	167.5	-170.1	0	0	0	0	115.1
403	T	29.2	Very low	29.7	Very low	127 Å²	127	148.7 Å²	148.7	78%	0.779	81%	0.806	S	S	*	*			trans	-80.2	158.3	-171.4	28.6	0	0	0	0	114
404	P	29.1	Very low	29.9	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	80%	0.802	S	S	*	*			trans	-73.8	143.3	-175.5	30.1	-35.7	0	0	0	113.3
405	R	26	Very low	30.2	Very low	247 Å²	247	144.3 Å²	144.3	93%	0.932	78%	0.782	S	S	*	*			trans	-117.5	91.8	154.5	-98.8	-174.6	166.6	-176.5	-4.6	108.2
406	L	32.1	Very low	30	Very low	158 Å²	158	139.1 Å²	139.1	83%	0.827	76%	0.758	S	S	*	*			trans	-105.7	107.7	158.3	-70.1	163.1	0	0	0	104.4
407	A	28.7	Very low	30.2	Very low	82 Å²	82	140.7 Å²	140.7	68%	0.678	76%	0.762	S	S	*	*			cis	66.4	84.7	48.5	0	0	0	0	0	110.8
408	F	27.7	Very low	30.9	Very low	197 Å²	197	139.6 Å²	139.6	86%	0.864	77%	0.774	S	S	*	*			trans	-65.9	136.6	157	-65	-95.1	0	0	0	108.1
409	P	30.3	Very low	30.9	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	76%	0.761	S	S	*	*			trans	-88.1	135.9	164.7	33.4	-30.1	0	0	0	110.5
410	D	32.7	Very low	30.7	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	76%	0.759	S	S	*	*			trans	-82.1	-179.2	177.9	-52.7	-75.6	0	0	0	112.8
411	N	30	Very low	30.5	Very low	137 Å²	137	134.1 Å²	134.1	73%	0.733	77%	0.766	S	S	*	*			trans	81.4	80.7	170.8	-49.6	-47.6	0	0	0	118.2
412	L	35.8	Very low	30.3	Very low	169 Å²	169	127.6 Å²	127.6	89%	0.885	76%	0.757	S	S	*	*			trans	-152.1	79	131	-101.6	147.5	0	0	0	107.4
413	F	35.6	Very low	30.2	Very low	178 Å²	178	125.7 Å²	125.7	78%	0.781	75%	0.75	S	S	*	*				97.7	123.3	85.3	-97.3	-65.6	0	0	0	110.6
414	D	33.1	Very low	30.1	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	76%	0.756	S	S	*	*	S	Bend	trans	-69.1	168.9	-167.6	-167.4	15.1	0	0	0	113.3
415	S	33	Very low	30.2	Very low	55 Å²	55	130.2 Å²	130.2	39%	0.385	76%	0.761	S	S	.	*			trans	76.5	97	-174.1	87	0	0	0	0	112.1	K144	K144-S415 VanDerWaalsContact CE-C 3.48Å; K144-S415 WeakPolarHBondContact CE-O 3.25Å; K144-S415 VanDerWaalsContact NZ-C 3.34Å; K144-S415 PolarHBondContact NZ-O 2.71Å; K144-S415 PolarHBondContact NZ-OG 3.31Å
416	G	28.9	Very low	30.2	Very low	38 Å²	38	125 Å²	125	39%	0.392	75%	0.749	S	S	.	*			trans	-102.5	175.4	-167.2	0	0	0	0	0	117.8	K144	K144-G416 VanDerWaalsContact CB-O 3.27Å; K144-G416 WeakPolarHBondContact CB-O 3.24Å; K144-G416 WeakPolarHBondContact CD-O 2.98Å; K144-G416 WeakPolarHBondContact CE-O 3.2Å; K144-G416 WeakPolarHBondContact CG-O 3.47Å
417	F	30.3	Very low	29.9	Very low	187 Å²	187	122.2 Å²	122.2	82%	0.82	74%	0.743	S	S	*	*			trans	-159.7	110.4	160.5	-161.2	-94.6	0	0	0	108.5	G419	F417-G419 PolarHBondContact O-N 3.29Å
418	V	39.8	Very low	30	Very low	160 Å²	160	122 Å²	122	97%	0.97	74%	0.737	S	S	*	*			trans	-92.3	95.9	175.9	179.4	0	0	0	0	108.2
419	G	27.7	Very low	30.3	Very low	55 Å²	55	121.9 Å²	121.9	57%	0.567	74%	0.736	S	S	*	*			trans	-144.5	19.3	-168.7	0	0	0	0	0	116	F417	F417-G419 PolarHBondContact O-N 3.29Å
420	G	24.8	Very low	30.3	Very low	81 Å²	81	120.2 Å²	120.2	84%	0.835	73%	0.727	S	S	*	*			trans	79	162.9	-176.9	0	0	0	0	0	114
421	G	24.7	Very low	30.1	Very low	85 Å²	85	120 Å²	120	88%	0.876	73%	0.726	S	S	*	*			cis	140.4	97.7	-0.4	0	0	0	0	0	111.2
422	G	25.4	Very low	30.2	Very low	70 Å²	70	120.5 Å²	120.5	72%	0.722	72%	0.722	S	S	*	*			trans	173.5	111.8	179.9	0	0	0	0	0	113.8
423	S	29	Very low	30.2	Very low	101 Å²	101	119.4 Å²	119.4	71%	0.706	72%	0.717	S	S	*	*			trans	30.7	118	150.3	59	0	0	0	0	120.6	M425	S423-M425 PolarHBondContact O-N 3.46Å
424	N	26.6	Very low	30.1	Very low	168 Å²	168	116.9 Å²	116.9	90%	0.898	71%	0.712	S	S	*	*			trans	29.1	84.4	132.3	-57.6	4.2	0	0	0	117.1
425	M	31.8	Very low	30.4	Very low	167 Å²	167	115.8 Å²	115.8	82%	0.823	71%	0.71	S	S	*	*			trans	-127	95.2	159.9	-80.9	-151.6	-68.8	0	0	113.1	S423	S423-M425 PolarHBondContact O-N 3.46Å
426	I	27.2	Very low	30.3	Very low	136 Å²	136	120.3 Å²	120.3	70%	0.697	73%	0.73	S	S	*	*			trans	38.8	102.4	140.2	37.9	66.2	0	0	0	120.5
427	S	25.7	Very low	30.8	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	75%	0.75	S	S	*	*				68.5	153.3	117.4	69.5	0	0	0	0	121.1
428	S	30.5	Very low	30.9	Very low	77 Å²	77	125.1 Å²	125.1	54%	0.538	75%	0.75	S	S	.	*			trans	69.9	139.5	178.8	-54.4	0	0	0	0	113
429	F	34.3	Very low	30.6	Very low	196 Å²	196	123.8 Å²	123.8	86%	0.86	74%	0.741	S	S	*	*			cis	-121.4	128.5	8.7	-59	-95.9	0	0	0	107.3
430	S	29.7	Very low	30.6	Very low	86 Å²	86	128.7 Å²	128.7	60%	0.601	75%	0.753	S	S	*	*				58.2	90.9	50	-57.1	0	0	0	0	112
431	D	27.7	Very low	30.7	Very low	136 Å²	136	127.5 Å²	127.5	73%	0.727	74%	0.741	S	S	*	*				50.7	130.9	115.2	-75	-7.7	0	0	0	120.1
432	F	31.9	Very low	30.9	Very low	149 Å²	149	131.2 Å²	131.2	65%	0.654	74%	0.738	S	S	*	*			trans	69.3	106.9	159.6	-54.4	-58	0	0	0	118.7	D434	F432-D434 HydrophobicContact CB-CB 4.01Å; F432-D434 HydrophobicContact CD1-CB 3.82Å; F432-D434 VanDerWaalsContact CD1-OD2 3.29Å; F432-D434 WeakPolarHBondContact CD1-OD2 3.35Å; F432-D434 HydrophobicContact CG-CB 4.3Å
433	D	36.9	Very low	31.1	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	74%	0.735	S	S	*	*				-141.5	107.7	122.4	-90.3	-37.2	0	0	0	105.3	V435	D433-V435 HydrophobicContact CB-CG2 3.98Å; D433-V435 WeakPolarHBondContact OD1-CG2 3.42Å
434	D	32.6	Very low	31.2	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	75%	0.747	S	S	*	*			cis	47.4	33.9	4.8	-74.7	8.7	0	0	0	115.3	F432 D436	F432-D434 HydrophobicContact CB-CB 4.01Å; F432-D434 HydrophobicContact CD1-CB 3.82Å; F432-D434 VanDerWaalsContact CD1-OD2 3.29Å; F432-D434 WeakPolarHBondContact CD1-OD2 3.35Å; F432-D434 HydrophobicContact CG-CB 4.3Å; D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 PolarHBondContact O-N 3.02Å
435	V	40.6	Very low	31.4	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	74%	0.739	S	S	*	*			trans	-63.6	100.8	147.8	171.9	0	0	0	0	107.2	D433 E437	D433-V435 HydrophobicContact CB-CG2 3.98Å; D433-V435 WeakPolarHBondContact OD1-CG2 3.42Å; V435-E437 PolarHBondContact O-N 3.38Å
436	D	30.3	Very low	31.4	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	74%	0.741	S	S	*	*			trans	-48.7	124.6	157.5	-79	-53.2	0	0	0	109.7	D434	D434-D436 VanDerWaalsContact C-N 3.32Å; D434-D436 PolarHBondContact O-N 3.02Å
437	E	38.5	Very low	31.7	Very low	176 Å²	176	135 Å²	135	82%	0.822	75%	0.745	S	S	*	*				-166.2	151.7	113.3	-111.3	-166.2	159.3	0	0	114.8	V435 V439	V435-E437 PolarHBondContact O-N 3.38Å; E437-V439 PolarHBondContact O-N 3.06Å
438	N	32.8	Very low	32.1	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	75%	0.75	S	S	*	*			trans	-73.4	85	172.4	-72.9	-74.9	0	0	0	111.3	I440	N438-I440 VanDerWaalsContact C-N 3.26Å; N438-I440 PolarHBondContact O-N 2.78Å
439	V	34.3	Very low	32.2	Very low	132 Å²	132	139.9 Å²	139.9	80%	0.8	76%	0.762	S	S	*	*			trans	-75.6	83.9	165.9	-174.8	0	0	0	0	109.8	E437 G441	E437-V439 PolarHBondContact O-N 3.06Å; V439-G441 PolarHBondContact O-N 3.2Å; V439-G441 VanDerWaalsContact O-N 3.13Å
440	I	27.9	Very low	32.1	Very low	157 Å²	157	137.5 Å²	137.5	81%	0.805	76%	0.758	S	S	*	*			trans	-58.6	112.1	163.7	-62.6	172.2	0	0	0	107.3	N438	N438-I440 VanDerWaalsContact C-N 3.26Å; N438-I440 PolarHBondContact O-N 2.78Å
441	G	26.6	Very low	32.3	Very low	57 Å²	57	141.3 Å²	141.3	59%	0.588	77%	0.771	S	S	*	*			trans	-77.1	158.1	-167.6	0	0	0	0	0	115.1	V439	V439-G441 PolarHBondContact O-N 3.2Å; V439-G441 VanDerWaalsContact O-N 3.13Å
442	M	29.7	Very low	32.5	Very low	163 Å²	163	141.7 Å²	141.7	80%	0.803	77%	0.772	S	S	*	*			trans	-149.7	138.1	153	-82.1	-140.6	104.6	0	0	111.8
443	N	29.3	Very low	32.7	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	77%	0.772	S	S	*	*			trans	56.7	117	146	-54	-16.6	0	0	0	121.3	G445	N443-G445 PolarHBondContact O-N 3.41Å
444	E	29.7	Very low	32.8	Very low	206 Å²	206	140 Å²	140	96%	0.963	77%	0.773	S	S	*	*			trans	14.6	87.9	135.5	-58.1	-170.8	122.4	0	0	118.5
445	G	31.8	Very low	32.9	Very low	71 Å²	71	141 Å²	141	73%	0.732	78%	0.778	S	S	*	*			trans	-133.6	128.4	160	0	0	0	0	0	109.4	N443	N443-G445 PolarHBondContact O-N 3.41Å
446	K	30.6	Very low	32.5	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	78%	0.781	S	S	*	*			trans	-69	145	179	-76	-177.2	178.6	178.7	0	110.4	V448	K446-V448 PolarHBondContact O-N 3.2Å
447	P	34	Very low	32.9	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	78%	0.78	S	S	*	*			trans	-62.6	135.4	-165.1	24.8	-34.9	0	0	0	111.8
448	V	35.1	Very low	32.9	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	77%	0.768	S	S	*	*			trans	-106.1	130.3	164.1	177.3	0	0	0	0	105.8	K446	K446-V448 PolarHBondContact O-N 3.2Å
449	D	32.6	Very low	33.2	Very low	147 Å²	147	137 Å²	137	79%	0.786	77%	0.766	S	S	*	*			trans	-64.2	146.7	-165	-59.3	-75.8	0	0	0	113.9	L451	D449-L451 PolarHBondContact O-N 3.34Å
450	N	32.3	Very low	33.7	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	74%	0.743	S	S	*	*			trans	-61.5	124.5	-176.2	-65.3	-33.4	0	0	0	111.6	I452	N450-I452 HydrophobicContact CB-CG1 4.31Å; N450-I452 PolarHBondContact O-N 2.97Å
451	L	32.4	Very low	34.2	Very low	167 Å²	167	128.5 Å²	128.5	87%	0.874	73%	0.727	S	S	*	*			trans	-73.3	69.1	167.3	-79.8	164.9	0	0	0	110.8	D449 T453	D449-L451 PolarHBondContact O-N 3.34Å; L451-T453 PolarHBondContact O-N 3.35Å; L451-T453 PolarHBondContact O-OG1 2.95Å
452	I	33.2	Very low	35.1	Very low	144 Å²	144	131.7 Å²	131.7	74%	0.738	73%	0.73	S	S	*	*			trans	-62.7	108.6	163.9	-62.7	175.8	0	0	0	106.7	N450	N450-I452 HydrophobicContact CB-CG1 4.31Å; N450-I452 PolarHBondContact O-N 2.97Å
453	T	34.9	Very low	35.6	Very low	108 Å²	108	131.8 Å²	131.8	66%	0.663	73%	0.726	S	S	*	*			trans	-102.8	107.2	179.1	-52.3	0	0	0	0	108.5	L451	L451-T453 PolarHBondContact O-N 3.35Å; L451-T453 PolarHBondContact O-OG1 2.95Å
454	D	39.1	Very low	36.1	Very low	151 Å²	151	129.5 Å²	129.5	81%	0.807	71%	0.714	S	S	*	*			trans	52.8	60.3	157.1	-54.1	-19.6	0	0	0	117.8
455	L	35.1	Very low	36.7	Very low	147 Å²	147	128.8 Å²	128.8	77%	0.77	70%	0.702	S	S	*	*			trans	-107.4	113.6	160.4	-149.6	79.5	0	0	0	111.3	T457	L455-T457 PolarHBondContact O-N 3.15Å
456	S	33.3	Very low	37.2	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	70%	0.704	S	S	*	*			trans	30.7	71.2	163	63.8	0	0	0	0	118.4	D458	S456-D458 PolarHBondContact O-N 3.2Å
457	T	38.7	Very low	37.5	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	69%	0.694	S	S	*	*			trans	-77.9	89.3	170.8	-44	0	0	0	0	112.5	L455	L455-T457 PolarHBondContact O-N 3.15Å
458	D	38.2	Very low	37.6	Very low	103 Å²	103	131.3 Å²	131.3	55%	0.551	69%	0.687	S	S	*	*			trans	54.6	71.5	137.9	-71.8	-61.8	0	0	0	120.1	S456 S460 S461	S456-D458 PolarHBondContact O-N 3.2Å; D458-S460 VanDerWaalsContact CB-OG 3.24Å; D458-S460 WeakPolarHBondContact CB-OG 3.3Å; D458-S460 VanDerWaalsContact CG-OG 3.26Å; D458-S460 PolarHBondContact O-N 2.72Å; D458-S460 WeakPolarHBondContact OD1-CB 3.28Å; D458-S460 PolarHBondContact OD1-OG 2.71Å; D458-S461 PolarHBondContact O-N 2.92Å; D458-S461 PolarHBondContact O-OG 3.07Å
459	H	39.2	Very low	37.9	Very low	166 Å²	166	132.3 Å²	132.3	77%	0.769	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-67.7	1.1	148.1	-73.2	-62.7	0	0	0	113.4	S461 D462	H459-S461 PolarHBondContact O-N 2.96Å; H459-S461 VanDerWaalsContact O-N 3.15Å; H459-D462 PolarHBondContact O-N 2.79Å
460	S	44.3	Very low	38	Very low	46 Å²	46	134 Å²	134	32%	0.322	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-59.9	-15.4	166.4	62.7	0	0	0	0	113.1	D458 D462 F463 L464	D458-S460 VanDerWaalsContact CB-OG 3.24Å; D458-S460 WeakPolarHBondContact CB-OG 3.3Å; D458-S460 VanDerWaalsContact CG-OG 3.26Å; D458-S460 PolarHBondContact O-N 2.72Å; D458-S460 WeakPolarHBondContact OD1-CB 3.28Å; D458-S460 PolarHBondContact OD1-OG 2.71Å; S460-D462 PolarHBondContact O-N 3.2Å; S460-F463 CarbonylContact O-C 3.29Å; S460-F463 WeakPolarHBondContact O-CA 2.87Å; S460-F463 PolarHBondContact O-N 3.33Å; S460-L464 PolarHBondContact O-N 2.85Å
461	S	38.6	Very low	38.1	Very low	66 Å²	66	134 Å²	134	46%	0.462	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-58.9	-25	172.2	44.5	0	0	0	0	114.9	D458 H459	D458-S461 PolarHBondContact O-N 2.92Å; D458-S461 PolarHBondContact O-OG 3.07Å; H459-S461 PolarHBondContact O-N 2.96Å; H459-S461 VanDerWaalsContact O-N 3.15Å
462	D	44.5	Very low	37.9	Very low	123 Å²	123	131.2 Å²	131.2	66%	0.658	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-82.2	-23.6	170.9	-77.7	-35.3	0	0	0	112.9	H459 S460	H459-D462 PolarHBondContact O-N 2.79Å; S460-D462 PolarHBondContact O-N 3.2Å
463	F	41.5	Very low	37.8	Very low	166 Å²	166	132.6 Å²	132.6	73%	0.728	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-21.3	175	-84.9	-90.9	0	0	0	113.5	S460 W465	S460-F463 CarbonylContact O-C 3.29Å; S460-F463 WeakPolarHBondContact O-CA 2.87Å; S460-F463 PolarHBondContact O-N 3.33Å; F463-W465 VanDerWaalsContact C-N 3.28Å; F463-W465 PolarHBondContact O-N 3.12Å
464	L	39.8	Very low	37.7	Very low	77 Å²	77	132.7 Å²	132.7	40%	0.403	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-71.1	-14.6	-175.1	-86.4	166.2	0	0	0	115.1	S460 E466 H467 E468	S460-L464 PolarHBondContact O-N 2.85Å; L464-E466 PolarHBondContact O-N 3.23Å; L464-E466 VanDerWaalsContact O-N 3.14Å; L464-H467 PolarHBondContact O-N 2.85Å; L464-E468 PolarHBondContact O-N 2.89Å
465	W	41.3	Very low	37.3	Very low	190 Å²	190	130.6 Å²	130.6	72%	0.72	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-60.1	-24.7	179	-66.5	106.8	0	0	0	114	F463	F463-W465 VanDerWaalsContact C-N 3.28Å; F463-W465 PolarHBondContact O-N 3.12Å
466	E	42.9	Very low	37.3	Very low	164 Å²	164	134.7 Å²	134.7	77%	0.766	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-84.7	-13.3	179.1	-56.8	-165.8	156	0	0	113.1	L464	L464-E466 PolarHBondContact O-N 3.23Å; L464-E466 VanDerWaalsContact O-N 3.14Å
467	H	35.9	Very low	37.1	Very low	144 Å²	144	134.7 Å²	134.7	67%	0.667	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	-28.2	-176.8	-67.9	-34.8	0	0	0	115.1	L464 L469 F470	L464-H467 PolarHBondContact O-N 2.85Å; H467-L469 PolarHBondContact O-N 2.85Å; H467-L469 VanDerWaalsContact O-N 3.15Å; H467-F470 PolarHBondContact O-N 3.43Å
468	E	36.5	Very low	36.9	Very low	135 Å²	135	131.1 Å²	131.1	63%	0.631	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.2	-9.6	-172	-145.4	-173.4	-147.9	0	0	114.5	L464 F470	L464-E468 PolarHBondContact O-N 2.89Å; E468-F470 VanDerWaalsContact C-N 3.27Å; E468-F470 PolarHBondContact O-N 2.78Å
469	L	41.3	Very low	36.7	Very low	154 Å²	154	131.5 Å²	131.5	81%	0.806	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-77	-5.3	176.6	-71.1	179.2	0	0	0	114.9	H467	H467-L469 PolarHBondContact O-N 2.85Å; H467-L469 VanDerWaalsContact O-N 3.15Å
470	F	35.6	Very low	36.3	Very low	184 Å²	184	126 Å²	126	81%	0.807	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-115	16.8	-177.2	-76.8	-75	0	0	0	115.9	H467 E468 P472	H467-F470 PolarHBondContact O-N 3.43Å; E468-F470 VanDerWaalsContact C-N 3.27Å; E468-F470 PolarHBondContact O-N 2.78Å; F470-P472 WeakPolarHBondContact O-CD 3.31Å
471	I	32.9	Very low	36	Very low	145 Å²	145	130 Å²	130	74%	0.744	66%	0.662	S	S	*	*			trans	-106	93.3	165.3	-55.4	-177.2	0	0	0	110.7
472	P	28.5	Very low	35.3	Very low	108 Å²	108	134.9 Å²	134.9	70%	0.701	68%	0.677	S	S	*	*			trans	-87.6	109	176.8	32.8	-33.1	0	0	0	112.2	F470	F470-P472 WeakPolarHBondContact O-CD 3.31Å
473	Q	31.8	Very low	34.7	Very low	172 Å²	172	134 Å²	134	80%	0.804	68%	0.679	S	S	*	*				176.2	156.1	122.7	-99.3	174.2	67.4	0	0	117.6
474	T	33	Very low	34.7	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	68%	0.676	S	S	*	*			trans	63.4	105.9	151.5	48.3	0	0	0	0	122.1
475	C	30.2	Very low	34.4	Very low	107 Å²	107	132.6 Å²	132.6	72%	0.723	69%	0.689	S	S	*	*				62.2	110.2	124.2	-59.6	0	0	0	0	121.1
476	Y	36	Very low	33.9	Very low	234 Å²	234	129.4 Å²	129.4	92%	0.918	69%	0.691	S	S	*	*				-148.9	173.2	129.4	-96.1	-63	0	0	0	112.2
477	K	29.3	Very low	34.2	Very low	108 Å²	108	132.1 Å²	132.1	47%	0.47	72%	0.718	S	S	.	*			trans	-127.2	135	-162.9	-47.7	162.4	154.3	-174.3	0	111.2	Y16	Y16-K477 HydrophobicContact CD1-CG 4.45Å; Y16-K477 WeakPolarHBondContact O-CD 3.25Å; Y16-K477 WeakPolarHBondContact O-CE 3.04Å
478	A	32.7	Very low	34.1	Very low	52 Å²	52	131.5 Å²	131.5	43%	0.43	72%	0.721	S	S	.	*			trans	-164.3	134.4	157.4	0	0	0	0	0	119.2	S13 Q14 S17	S13-A478 PolarHBondContact O-N 2.89Å; Q14-A478 VanDerWaalsContact CA-O 3.32Å; Q14-A478 WeakPolarHBondContact CA-O 3.49Å; S17-A478 WeakPolarHBondContact OG-CA 3.21Å
479	K	35	Very low	34	Very low	111 Å²	111	131.3 Å²	131.3	48%	0.483	73%	0.725	S	S	.	*			trans	-31.3	164.9	154.2	-69.7	150.5	-162.4	-177.7	0	116.5	Q14 S17 H18	Q14-K479 PolarHBondContact O-N 3.24Å; S17-K479 VanDerWaalsContact O-CE 3.27Å; S17-K479 WeakPolarHBondContact O-CE 3.44Å; S17-K479 WeakPolarHBondContact OG-CD 3.21Å; S17-K479 VanDerWaalsContact OG-CE 3.28Å; S17-K479 WeakPolarHBondContact OG-CE 3.48Å; S17-K479 VanDerWaalsContact OG-CG 3.29Å; S17-K479 WeakPolarHBondContact OG-CG 3.43Å; S17-K479 PolarHBondContact OG-N 3.11Å; S17-K479 VanDerWaalsContact OG-N 3.13Å; H18-K479 WeakPolarHBondContact CD2-CE 3.49Å; H18-K479 VanDerWaalsContact CD2-CG 3.48Å; H18-K479 WeakPolarHBondContact CD2-CG 3.19Å; H18-K479 VanDerWaalsContact NE2-CE 3.33Å; H18-K479 WeakPolarHBondContact NE2-CE 3.47Å
480	G	30	Very low	33.6	Very low	49 Å²	49	130.1 Å²	130.1	51%	0.505	72%	0.721	S	S	.	*			cis	155.1	112	-2.4	0	0	0	0	0	111
481	V	37.7	Very low	33.5	Very low	131 Å²	131	126.9 Å²	126.9	79%	0.794	72%	0.716	S	S	*	*			trans	-139.2	147.1	-179.1	-174.9	0	0	0	0	110.3
482	H	25.3	Very low	33.5	Very low	169 Å²	169	125.8 Å²	125.8	78%	0.782	71%	0.714	S	S	*	*			trans	-119	166.9	-161.2	-124.7	-89.3	0	0	0	113
483	C	31.5	Very low	33.8	Very low	105 Å²	105	126.9 Å²	126.9	71%	0.709	72%	0.715	S	S	*	*			trans	75	169.9	143.3	-85.2	0	0	0	0	120.4
484	P	42.1	Very low	34	Very low	100 Å²	100	123.7 Å²	123.7	65%	0.649	71%	0.708	S	S	*	*			cis	-135.3	-177.4	-13.8	26	-2.3	0	0	0	115.8
485	T	33.3	Very low	34	Very low	112 Å²	112	124.8 Å²	124.8	69%	0.687	71%	0.711	S	S	*	*			trans	46.3	113	145.4	50.6	0	0	0	0	120.2
486	T	30.5	Very low	34.4	Very low	124 Å²	124	126.3 Å²	126.3	76%	0.761	71%	0.71	S	S	*	*				62.1	118.7	72.8	67.3	0	0	0	0	116.7
487	V	49	Very low	34.2	Very low	220 Å²	220	116.5 Å²	116.5	100%	1.333	69%	0.691	S	S	*	*				-127.5	0	118.1	-179.2	0	0	0	0	106.5

Retrieved 487 of 487 residues in 196.3 ms (Link to these results)

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