A0A5K4F4M6_SCHMA Loading...

Exported protein

AlphaFold DB , UniProt , Accession A0A5K4F4M6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 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	55.3	Low	63.1	Low	225 Å²	225	135.2 Å²	135.2	100%	1.108	65%	0.653	S	S	*	*				0	4.9	0	-75.6	-66.1	-178.8	0	0	114.6
2	N	58.6	Low	63.3	Low	137 Å²	137	132.9 Å²	132.9	73%	0.733	65%	0.645	S	S	*	*			trans	-105.2	0.3	-172.8	-73.6	-3.6	0	0	0	116.1	I4 H5	N2-I4 VanDerWaalsContact C-N 3.35Å; N2-I4 PolarHBondContact O-N 3.46Å; N2-H5 PolarHBondContact O-N 3.15Å
3	W	56	Low	63.1	Low	217 Å²	217	133.2 Å²	133.2	82%	0.822	64%	0.642	S	S	*	*	H	α-helix	trans	-68.6	-32.2	-178.9	-104.6	33.1	0	0	0	113.5	H5 G6	W3-H5 VanDerWaalsContact C-N 3.28Å; W3-H5 PolarHBondContact O-N 3.48Å; W3-G6 PolarHBondContact O-N 3.3Å
4	I	66	Low	63	Low	116 Å²	116	134.5 Å²	134.5	60%	0.595	64%	0.638	S	S	*	*	H	α-helix	trans	-66.3	-31	-179	-64.5	166.4	0	0	0	111.8	N2 G6 F8	N2-I4 VanDerWaalsContact C-N 3.35Å; N2-I4 PolarHBondContact O-N 3.46Å; I4-G6 PolarHBondContact O-N 3.05Å; I4-F8 HydrophobicContact CG2-CD2 4.29Å; I4-F8 HydrophobicContact CG2-CE2 4.44Å; I4-F8 PolarHBondContact O-N 3.41Å
5	H	56.7	Low	62.7	Low	140 Å²	140	129.8 Å²	129.8	65%	0.648	63%	0.626	S	S	*	*	H	α-helix	trans	-72.9	-28.1	-178.4	-76.9	49.1	0	0	0	112.8	N2 W3	N2-H5 PolarHBondContact O-N 3.15Å; W3-H5 VanDerWaalsContact C-N 3.28Å; W3-H5 PolarHBondContact O-N 3.48Å
6	G	62.2	Low	62.3	Low	36 Å²	36	125 Å²	125	37%	0.371	61%	0.61	S	S	.	*	H	α-helix	trans	-68.4	-43.6	176.1	0	0	0	0	0	112.4	W3 I4 F8 L9 I10	W3-G6 PolarHBondContact O-N 3.3Å; I4-G6 PolarHBondContact O-N 3.05Å; G6-F8 VanDerWaalsContact C-N 3.34Å; G6-F8 PolarHBondContact O-N 3.19Å; G6-L9 PolarHBondContact O-N 3.1Å; G6-I10 PolarHBondContact O-N 2.9Å
7	Y	65.9	Low	61.8	Low	146 Å²	146	123.1 Å²	123.1	57%	0.573	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-38.4	179.8	-85.6	-85.2	0	0	0	113	L9 I10 L11	Y7-L9 VanDerWaalsContact C-N 3.31Å; Y7-L9 PolarHBondContact O-N 2.83Å; Y7-I10 PolarHBondContact O-N 3.02Å; Y7-L11 WeakPolarHBondContact O-CB 3.24Å; Y7-L11 PolarHBondContact O-N 3.21Å
8	F	66.4	Low	61.3	Low	143 Å²	143	120.8 Å²	120.8	63%	0.627	60%	0.596	S	S	*	*	H	α-helix	trans	-63.1	-35.8	177.4	-100.2	-82.2	0	0	0	113.1	I4 G6 L12	I4-F8 HydrophobicContact CG2-CD2 4.29Å; I4-F8 HydrophobicContact CG2-CE2 4.44Å; I4-F8 PolarHBondContact O-N 3.41Å; G6-F8 VanDerWaalsContact C-N 3.34Å; G6-F8 PolarHBondContact O-N 3.19Å; F8-L12 WeakPolarHBondContact O-CG 3.48Å; F8-L12 PolarHBondContact O-N 3.03Å
9	L	67.4	Low	60.5	Low	111 Å²	111	124.4 Å²	124.4	58%	0.581	60%	0.603	S	S	*	*	H	α-helix	trans	-71	-39.8	176.8	-77.7	168.3	0	0	0	111.9	G6 Y7 L12 F13	G6-L9 PolarHBondContact O-N 3.1Å; Y7-L9 VanDerWaalsContact C-N 3.31Å; Y7-L9 PolarHBondContact O-N 2.83Å; L9-L12 PolarHBondContact O-N 3.07Å; L9-F13 WeakPolarHBondContact O-CD2 3.47Å; L9-F13 PolarHBondContact O-N 2.92Å; L9-F13 VanDerWaalsContact O-N 3.08Å
10	I	71.9	Confident	59.6	Low	96 Å²	96	122.3 Å²	122.3	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-64.4	-43.1	176.9	-66.1	166.3	0	0	0	110.5	G6 Y7 L12 F13 Y14	G6-I10 PolarHBondContact O-N 2.9Å; Y7-I10 PolarHBondContact O-N 3.02Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.82Å; I10-F13 PolarHBondContact O-N 3.49Å; I10-Y14 HydrophobicContact CG2-CD2 3.75Å; I10-Y14 HydrophobicContact CG2-CE2 3.94Å; I10-Y14 WeakPolarHBondContact O-CD2 3.5Å; I10-Y14 PolarHBondContact O-N 3.04Å
11	L	67.5	Low	58.8	Low	120 Å²	120	124 Å²	124	63%	0.628	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-39.7	177	-112.4	151.8	0	0	0	112.7	Y7 Y14 S15	Y7-L11 WeakPolarHBondContact O-CB 3.24Å; Y7-L11 PolarHBondContact O-N 3.21Å; L11-Y14 PolarHBondContact O-N 3.13Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 3.47Å; L11-S15 PolarHBondContact O-OG 3.45Å
12	L	65.3	Low	58.1	Low	108 Å²	108	121.8 Å²	121.8	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-42.7	174.6	-74.8	170.5	0	0	0	111.7	F8 L9 I10 S15 S16	F8-L12 WeakPolarHBondContact O-CG 3.48Å; F8-L12 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.07Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.82Å; L12-S15 PolarHBondContact O-N 3.47Å; L12-S15 PolarHBondContact O-OG 3.11Å; L12-S16 PolarHBondContact O-N 3.11Å
13	F	61.6	Low	57.4	Low	136 Å²	136	119.5 Å²	119.5	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-63.3	-44.4	175.1	-94.3	-80	0	0	0	112.3	L9 I10 S15 S16 I17	L9-F13 WeakPolarHBondContact O-CD2 3.47Å; L9-F13 PolarHBondContact O-N 2.92Å; L9-F13 VanDerWaalsContact O-N 3.08Å; I10-F13 PolarHBondContact O-N 3.49Å; F13-S15 VanDerWaalsContact C-N 3.34Å; F13-S15 PolarHBondContact O-N 3.01Å; F13-S16 PolarHBondContact O-N 3.21Å; F13-S16 VanDerWaalsContact O-N 3.15Å; F13-S16 PolarHBondContact O-OG 3.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.32Å
14	Y	61.6	Low	56.8	Low	152 Å²	152	113 Å²	113	60%	0.596	57%	0.572	S	S	*	*	H	α-helix	trans	-61.7	-41.3	175.6	-95.5	-88.6	0	0	0	112.2	I10 L11 S16 I17 V18	I10-Y14 HydrophobicContact CG2-CD2 3.75Å; I10-Y14 HydrophobicContact CG2-CE2 3.94Å; I10-Y14 WeakPolarHBondContact O-CD2 3.5Å; I10-Y14 PolarHBondContact O-N 3.04Å; L11-Y14 PolarHBondContact O-N 3.13Å; Y14-S16 VanDerWaalsContact C-N 3.28Å; Y14-S16 PolarHBondContact O-N 2.73Å; Y14-I17 PolarHBondContact O-N 3.24Å; Y14-V18 WeakPolarHBondContact O-CB 3.31Å; Y14-V18 VanDerWaalsContact O-CG2 3.24Å; Y14-V18 WeakPolarHBondContact O-CG2 3.45Å; Y14-V18 PolarHBondContact O-N 3.32Å
15	S	58.3	Low	55.5	Low	64 Å²	64	112.4 Å²	112.4	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-37	175.9	70.7	0	0	0	0	112	L11 L12 F13 Y19	L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 3.47Å; L11-S15 PolarHBondContact O-OG 3.45Å; L12-S15 PolarHBondContact O-N 3.47Å; L12-S15 PolarHBondContact O-OG 3.11Å; F13-S15 VanDerWaalsContact C-N 3.34Å; F13-S15 PolarHBondContact O-N 3.01Å; S15-Y19 WeakPolarHBondContact O-CB 3.24Å; S15-Y19 PolarHBondContact O-N 3.39Å
16	S	55.6	Low	54.7	Low	53 Å²	53	110.5 Å²	110.5	37%	0.371	57%	0.572	S	S	.	*	H	α-helix	trans	-70.1	-39.7	175.6	73.2	0	0	0	0	113	L12 F13 Y14 Y19 C20	L12-S16 PolarHBondContact O-N 3.11Å; F13-S16 PolarHBondContact O-N 3.21Å; F13-S16 VanDerWaalsContact O-N 3.15Å; F13-S16 PolarHBondContact O-OG 3.22Å; Y14-S16 VanDerWaalsContact C-N 3.28Å; Y14-S16 PolarHBondContact O-N 2.73Å; S16-Y19 PolarHBondContact O-N 3.18Å; S16-C20 VanDerWaalsContact O-CB 3.24Å; S16-C20 WeakPolarHBondContact O-CB 3.38Å; S16-C20 PolarHBondContact O-N 3.3Å; S16-C20 PolarHBondContact O-SG 2.68Å
17	I	54.9	Low	53.8	Low	93 Å²	93	117.6 Å²	117.6	48%	0.477	59%	0.589	S	S	.	*	H	α-helix	trans	-69.4	-41.7	178.5	-69.3	164.8	0	0	0	110.7	F13 Y14 C20 K21	F13-I17 WeakPolarHBondContact O-CG1 3.47Å; F13-I17 PolarHBondContact O-N 3.32Å; Y14-I17 PolarHBondContact O-N 3.24Å; I17-C20 PolarHBondContact O-N 3.12Å; I17-K21 PolarHBondContact O-N 3.2Å
18	V	52.6	Low	52.6	Low	81 Å²	81	118.6 Å²	118.6	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-38.8	177.4	175.6	0	0	0	0	110.9	Y14 K21 K22	Y14-V18 WeakPolarHBondContact O-CB 3.31Å; Y14-V18 VanDerWaalsContact O-CG2 3.24Å; Y14-V18 WeakPolarHBondContact O-CG2 3.45Å; Y14-V18 PolarHBondContact O-N 3.32Å; V18-K21 PolarHBondContact O-N 3.08Å; V18-K22 PolarHBondContact O-N 3.4Å; V18-K22 VanDerWaalsContact O-N 3.15Å
19	Y	46.2	Very low	51.5	Low	189 Å²	189	120.9 Å²	120.9	74%	0.741	61%	0.605	S	S	*	*	H	α-helix	trans	-69.1	-38.1	173	-115.2	-88.3	0	0	0	112.6	S15 S16 K21 K22 S23	S15-Y19 WeakPolarHBondContact O-CB 3.24Å; S15-Y19 PolarHBondContact O-N 3.39Å; S16-Y19 PolarHBondContact O-N 3.18Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 3.42Å; Y19-K22 PolarHBondContact O-N 2.97Å; Y19-K22 VanDerWaalsContact O-N 3.15Å; Y19-S23 PolarHBondContact O-N 3.38Å; Y19-S23 VanDerWaalsContact O-N 3.14Å; Y19-S23 PolarHBondContact O-OG 3.45Å
20	C	42.7	Very low	50.4	Low	83 Å²	83	121.9 Å²	121.9	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-63.8	-36.8	174.2	-78.5	0	0	0	0	111.7	S16 I17 K22 S23 S24	S16-C20 VanDerWaalsContact O-CB 3.24Å; S16-C20 WeakPolarHBondContact O-CB 3.38Å; S16-C20 PolarHBondContact O-N 3.3Å; S16-C20 PolarHBondContact O-SG 2.68Å; I17-C20 PolarHBondContact O-N 3.12Å; C20-K22 VanDerWaalsContact C-N 3.32Å; C20-K22 PolarHBondContact O-N 3.41Å; C20-S23 PolarHBondContact O-N 2.91Å; C20-S23 PolarHBondContact O-OG 3.42Å; C20-S24 PolarHBondContact O-N 3.04Å; C20-S24 PolarHBondContact O-OG 3.38Å
21	K	41.6	Very low	49.4	Very low	158 Å²	158	121.7 Å²	121.7	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-67.2	-29.1	173.3	-92.5	-172.9	170.2	-178.2	0	113.3	I17 V18 Y19	I17-K21 PolarHBondContact O-N 3.2Å; V18-K21 PolarHBondContact O-N 3.08Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 3.42Å
22	K	41.9	Very low	48.7	Very low	178 Å²	178	123.2 Å²	123.2	77%	0.774	62%	0.615	S	S	*	*	H	α-helix	trans	-81.7	-16.3	175.6	-87.4	-173.4	174	-178.8	0	114.4	V18 Y19 C20	V18-K22 PolarHBondContact O-N 3.4Å; V18-K22 VanDerWaalsContact O-N 3.15Å; Y19-K22 PolarHBondContact O-N 2.97Å; Y19-K22 VanDerWaalsContact O-N 3.15Å; C20-K22 VanDerWaalsContact C-N 3.32Å; C20-K22 PolarHBondContact O-N 3.41Å
23	S	43.3	Very low	48	Very low	90 Å²	90	126.1 Å²	126.1	63%	0.629	63%	0.625	S	S	*	*	H	α-helix	trans	-94.3	-9.6	175.4	59.8	0	0	0	0	114.6	Y19 C20	Y19-S23 PolarHBondContact O-N 3.38Å; Y19-S23 VanDerWaalsContact O-N 3.14Å; Y19-S23 PolarHBondContact O-OG 3.45Å; C20-S23 PolarHBondContact O-N 2.91Å; C20-S23 PolarHBondContact O-OG 3.42Å
24	S	44.2	Very low	47.5	Very low	81 Å²	81	125.8 Å²	125.8	57%	0.566	63%	0.626	S	S	*	*	S	Bend	trans	-97.4	-3.8	177.3	52	0	0	0	0	114.4	C20	C20-S24 PolarHBondContact O-N 3.04Å; C20-S24 PolarHBondContact O-OG 3.38Å
25	N	38.7	Very low	47	Very low	103 Å²	103	123 Å²	123	55%	0.551	62%	0.621	S	S	*	*			trans	-109.1	41.9	172	-75.8	16	0	0	0	111.1	Y27	N25-Y27 HydrophobicContact CB-CD2 4.29Å; N25-Y27 HydrophobicContact CB-CE2 4.15Å; N25-Y27 PolarHBondContact O-N 2.88Å
26	S	38.2	Very low	46.6	Very low	99 Å²	99	126 Å²	126	69%	0.692	63%	0.632	S	S	*	*			trans	-66.9	95.3	142.7	67.9	0	0	0	0	103.9	E28	S26-E28 PolarHBondContact O-N 3.5Å
27	Y	43.7	Very low	46.5	Very low	185 Å²	185	131 Å²	131	73%	0.725	65%	0.647	S	S	*	*			trans	-49.2	92.2	154.3	-75.7	-94.8	0	0	0	104.8	N25 Y29	N25-Y27 HydrophobicContact CB-CD2 4.29Å; N25-Y27 HydrophobicContact CB-CE2 4.15Å; N25-Y27 PolarHBondContact O-N 2.88Å; Y27-Y29 PolarHBondContact O-N 3.29Å
28	E	40.4	Very low	46.3	Very low	168 Å²	168	135.8 Å²	135.8	79%	0.785	66%	0.659	S	S	*	*			trans	-55	101.9	147	-141.5	161.9	-164.4	0	0	101	S26 D30	S26-E28 PolarHBondContact O-N 3.5Å; E28-D30 PolarHBondContact O-N 3.14Å
29	Y	43.6	Very low	46.2	Very low	191 Å²	191	139.5 Å²	139.5	75%	0.749	67%	0.669	S	S	*	*			trans	-50.7	108.3	165.8	-100.6	-103	0	0	0	103.5	Y27 D31	Y27-Y29 PolarHBondContact O-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.78Å
30	D	45.9	Very low	46.4	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	67%	0.665	S	S	*	*			trans	-63.5	73.8	163.4	-76.6	-36.7	0	0	0	105.5	E28 E32	E28-D30 PolarHBondContact O-N 3.14Å; D30-E32 PolarHBondContact O-N 2.8Å
31	D	49.4	Very low	46.7	Very low	92 Å²	92	142 Å²	142	49%	0.492	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	14.2	166.8	-74.3	-18.3	0	0	0	110.1	Y29 E33 E34 D35	Y29-D31 PolarHBondContact O-N 2.78Å; D31-E33 PolarHBondContact O-N 2.92Å; D31-E34 PolarHBondContact O-N 2.87Å; D31-D35 PolarHBondContact O-N 3.15Å; D31-D35 VanDerWaalsContact O-N 3.15Å
32	E	53.1	Low	46.9	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	68%	0.677	S	S	*	*	H	α-helix	trans	-59.8	-20	166.2	-65	-151.1	172.4	0	0	111.9	D30	D30-E32 PolarHBondContact O-N 2.8Å
33	E	50.7	Low	47.4	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	66%	0.662	S	S	*	*	H	α-helix	trans	-76.5	-22.1	168.1	-90.5	-163.6	165.8	0	0	114.2	D31	D31-E33 PolarHBondContact O-N 2.92Å
34	E	50.4	Low	47.7	Very low	130 Å²	130	141 Å²	141	61%	0.607	67%	0.666	S	S	*	*	H	α-helix	trans	-88.3	-26.4	174.9	-73.4	-156.7	167	0	0	113.3	D31 N36 K37 R38	D31-E34 PolarHBondContact O-N 2.87Å; E34-N36 PolarHBondContact O-N 3.36Å; E34-K37 PolarHBondContact O-N 2.71Å; E34-R38 PolarHBondContact O-N 2.94Å
35	D	51	Low	48.2	Very low	94 Å²	94	141.3 Å²	141.3	50%	0.503	67%	0.668	S	S	.	*	H	α-helix	trans	-66.9	-29.3	178.2	-110.6	4.9	0	0	0	112.1	D31 K37 R38 F39	D31-D35 PolarHBondContact O-N 3.15Å; D31-D35 VanDerWaalsContact O-N 3.15Å; D35-K37 PolarHBondContact O-N 3.05Å; D35-R38 PolarHBondContact O-N 3.36Å; D35-F39 WeakPolarHBondContact O-CD2 3.24Å; D35-F39 PolarHBondContact O-N 3.44Å
36	N	51	Low	48.7	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	67%	0.67	S	S	*	*	H	α-helix	trans	-69.7	-17.5	171.9	-74.2	-31.2	0	0	0	113.8	E34	E34-N36 PolarHBondContact O-N 3.36Å
37	K	53.3	Low	49.2	Very low	156 Å²	156	141.4 Å²	141.4	68%	0.678	66%	0.658	S	S	*	*	H	α-helix	trans	-86.2	-27.5	170	-70.8	-176.8	-176.7	169.7	0	112.4	E34 D35 F39	E34-K37 PolarHBondContact O-N 2.71Å; D35-K37 PolarHBondContact O-N 3.05Å; K37-F39 VanDerWaalsContact C-N 3.28Å; K37-F39 PolarHBondContact O-N 2.75Å
38	R	51.3	Low	49.6	Very low	195 Å²	195	138.7 Å²	138.7	74%	0.736	65%	0.651	S	S	*	*	H	α-helix	trans	-67.7	-26.7	176.6	-91.2	179.7	163.5	-110.6	-3.4	113.4	E34 D35 N40	E34-R38 PolarHBondContact O-N 2.94Å; D35-R38 PolarHBondContact O-N 3.36Å; R38-N40 PolarHBondContact O-N 2.87Å
39	F	49.2	Very low	50	Low	158 Å²	158	136 Å²	136	69%	0.693	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-79.3	-7	-178.5	-86.5	-75.9	0	0	0	116.1	D35 K37	D35-F39 WeakPolarHBondContact O-CD2 3.24Å; D35-F39 PolarHBondContact O-N 3.44Å; K37-F39 VanDerWaalsContact C-N 3.28Å; K37-F39 PolarHBondContact O-N 2.75Å
40	N	50.7	Low	50.1	Low	123 Å²	123	133.8 Å²	133.8	66%	0.658	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-95.2	1.4	-179.4	-89.8	-5.5	0	0	0	116	R38	R38-N40 PolarHBondContact O-N 2.87Å
41	Y	48.5	Very low	50.4	Low	203 Å²	203	132.9 Å²	132.9	80%	0.796	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-93.4	5	178.7	-75	-75	0	0	0	115.1
42	L	47.4	Very low	50.3	Low	134 Å²	134	134.8 Å²	134.8	70%	0.702	64%	0.644	S	S	*	*	S	Bend	trans	-113.2	3.7	-173.9	-84.9	168	0	0	0	116.6
43	D	52.4	Low	49.9	Very low	84 Å²	84	134.1 Å²	134.1	45%	0.449	65%	0.645	S	S	.	*	S	Bend	trans	-114.5	-7.3	-175.5	-144.3	32.8	0	0	0	115.9	Q47	D43-Q47 WeakPolarHBondContact O-CG 3.34Å; D43-Q47 PolarHBondContact O-N 3.25Å; D43-Q47 VanDerWaalsContact O-N 3.11Å; D43-Q47 PolarHBondContact OD2-NE2 3.35Å
44	Y	48.9	Very low	49.7	Very low	186 Å²	186	133.8 Å²	133.8	73%	0.729	65%	0.649	S	S	*	*	H	α-helix	trans	-73.1	-31.3	178	-76.8	-71.5	0	0	0	113.6	E48	Y44-E48 PolarHBondContact O-N 3.14Å
45	S	54.9	Low	49.5	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	66%	0.656	S	S	*	*	H	α-helix	trans	-81.3	-21.8	177.3	35.1	0	0	0	0	113.6
46	L	49.4	Very low	48.8	Very low	113 Å²	113	142.8 Å²	142.8	59%	0.592	67%	0.673	S	S	*	*	H	α-helix	trans	-85.5	-32.8	174.2	-84.4	164.8	0	0	0	112.5	E48 D49 M50	L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact O-N 2.83Å; L46-D49 PolarHBondContact O-N 3.24Å; L46-M50 PolarHBondContact O-N 3.44Å; L46-M50 VanDerWaalsContact O-N 3.15Å
47	Q	48.8	Very low	48	Very low	92 Å²	92	139.1 Å²	139.1	43%	0.43	67%	0.665	S	S	.	*	H	α-helix	trans	-66.7	-30.9	173.7	-77.4	177.6	19.4	0	0	112.4	D43 M50 V51	D43-Q47 WeakPolarHBondContact O-CG 3.34Å; D43-Q47 PolarHBondContact O-N 3.25Å; D43-Q47 VanDerWaalsContact O-N 3.11Å; D43-Q47 PolarHBondContact OD2-NE2 3.35Å; Q47-M50 PolarHBondContact O-N 3.17Å; Q47-V51 VanDerWaalsContact O-CG2 3.24Å; Q47-V51 WeakPolarHBondContact O-CG2 3.45Å; Q47-V51 PolarHBondContact O-N 3.04Å; Q47-V51 VanDerWaalsContact O-N 3.07Å
48	E	50.6	Low	47.1	Very low	127 Å²	127	137 Å²	137	59%	0.593	67%	0.67	S	S	*	*	H	α-helix	trans	-69.9	-32.4	177	-115.6	-170.6	-162.3	0	0	113.8	Y44 L46 K52	Y44-E48 PolarHBondContact O-N 3.14Å; L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact O-N 2.83Å; E48-K52 WeakPolarHBondContact O-CG 3.1Å; E48-K52 IonicContact OE2-NZ 3.91Å
49	D	50.3	Low	46.5	Very low	113 Å²	113	137.7 Å²	137.7	60%	0.604	67%	0.674	S	S	*	*	H	α-helix	trans	-75.7	-34.3	174	-93.6	-2.9	0	0	0	111.3	L46 V51 K52	L46-D49 PolarHBondContact O-N 3.24Å; D49-V51 PolarHBondContact O-N 3.17Å; D49-K52 PolarHBondContact O-N 2.86Å
50	M	44.2	Very low	46	Very low	144 Å²	144	136.9 Å²	136.9	71%	0.709	68%	0.677	S	S	*	*	H	α-helix	trans	-76.3	-23.6	-178.7	-150.1	173.1	54.7	0	0	113.4	L46 Q47	L46-M50 PolarHBondContact O-N 3.44Å; L46-M50 VanDerWaalsContact O-N 3.15Å; Q47-M50 PolarHBondContact O-N 3.17Å
51	V	52.6	Low	45.2	Very low	111 Å²	111	138.5 Å²	138.5	67%	0.673	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9.8	176.9	178.3	0	0	0	0	112.4	Q47 D49	Q47-V51 VanDerWaalsContact O-CG2 3.24Å; Q47-V51 WeakPolarHBondContact O-CG2 3.45Å; Q47-V51 PolarHBondContact O-N 3.04Å; Q47-V51 VanDerWaalsContact O-N 3.07Å; D49-V51 PolarHBondContact O-N 3.17Å
52	K	47.5	Very low	44.6	Very low	132 Å²	132	137.2 Å²	137.2	57%	0.574	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-87.1	-7.2	-179	-81	177.5	-173.4	162.1	0	115.5	E48 D49	E48-K52 WeakPolarHBondContact O-CG 3.1Å; E48-K52 IonicContact OE2-NZ 3.91Å; D49-K52 PolarHBondContact O-N 2.86Å
53	D	45.6	Very low	44	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-85.1	-8.3	-177.7	-77.4	-13.4	0	0	0	114.7
54	D	46.2	Very low	43	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-93.9	8	-179.9	-76.1	-17.5	0	0	0	114.7
55	Y	45.7	Very low	42.1	Very low	194 Å²	194	138.6 Å²	138.6	76%	0.761	71%	0.712	S	S	*	*	S	Bend	trans	-109.9	1	-175.6	-161.7	-107.2	0	0	0	116.8
56	Y	36.5	Very low	41.2	Very low	219 Å²	219	142.1 Å²	142.1	86%	0.859	72%	0.718	S	S	*	*	S	Bend	trans	-136.8	112.7	172.8	-92.3	-88	0	0	0	112.4
57	G	33.8	Very low	40.6	Very low	50 Å²	50	144.1 Å²	144.1	52%	0.515	73%	0.73	S	S	.	*			trans	137.8	27.8	160.6	0	0	0	0	0	116.9	Y59	G57-Y59 WeakPolarHBondContact O-CD2 3.33Å; G57-Y59 PolarHBondContact O-N 3.16Å
58	S	34.1	Very low	40.2	Very low	110 Å²	110	147 Å²	147	77%	0.769	75%	0.748	S	S	*	*			trans	-69.1	81	156.9	-176.7	0	0	0	0	108	N60	S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact O-N 3.29Å
59	Y	39	Very low	39.4	Very low	211 Å²	211	148.7 Å²	148.7	83%	0.827	76%	0.761	S	S	*	*			trans	-59.6	104.9	160.6	-66.9	-82.8	0	0	0	105.9	G57 N61	G57-Y59 WeakPolarHBondContact O-CD2 3.33Å; G57-Y59 PolarHBondContact O-N 3.16Å; Y59-N61 PolarHBondContact O-N 2.85Å
60	N	38.2	Very low	38.6	Very low	140 Å²	140	152.6 Å²	152.6	75%	0.749	78%	0.776	S	S	*	*			trans	-54.4	96.3	161.8	-72.1	-33.2	0	0	0	106.5	S58 E62	S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact O-N 3.29Å; N60-E62 PolarHBondContact O-N 2.84Å
61	N	35.7	Very low	37.9	Very low	158 Å²	158	154.9 Å²	154.9	85%	0.845	79%	0.785	S	S	*	*			trans	-65.7	94.3	158.7	-116.2	-16.8	0	0	0	104	Y59 G63	Y59-N61 PolarHBondContact O-N 2.85Å; N61-G63 PolarHBondContact O-N 3.01Å
62	E	35.9	Very low	36.9	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	79%	0.791	S	S	*	*			trans	-48	113.7	167.7	-71.3	-178.6	165.3	0	0	106.8	N60 Q64	N60-E62 PolarHBondContact O-N 2.84Å; E62-Q64 PolarHBondContact O-N 2.78Å
63	G	34	Very low	36.4	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	80%	0.796	S	S	*	*			trans	-52.3	117.1	179.3	0	0	0	0	0	108.4	N61 Q65	N61-G63 PolarHBondContact O-N 3.01Å; G63-Q65 PolarHBondContact O-N 2.94Å
64	Q	30.6	Very low	36	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	80%	0.801	S	S	*	*			trans	-60.6	107.1	161.3	-69.4	-170.6	-19.6	0	0	106.4	E62 Q66	E62-Q64 PolarHBondContact O-N 2.78Å; Q64-Q66 PolarHBondContact O-N 3.27Å
65	Q	30.8	Very low	35.8	Very low	186 Å²	186	152.1 Å²	152.1	87%	0.869	80%	0.799	S	S	*	*			trans	-55.1	104.7	165.9	-75.3	173.9	-24	0	0	107.1	G63	G63-Q65 PolarHBondContact O-N 2.94Å
66	Q	36.5	Very low	35.4	Very low	160 Å²	160	149.1 Å²	149.1	75%	0.748	80%	0.801	S	S	*	*			trans	-92.5	113.9	161	-76.5	-171	-25.8	0	0	106.7	Q64 N68	Q64-Q66 PolarHBondContact O-N 3.27Å; Q66-N68 PolarHBondContact O-N 2.81Å
67	D	36.2	Very low	35.4	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	80%	0.797	S	S	*	*			trans	-57.2	103.5	169	-64.7	-44.9	0	0	0	108.5	N69	D67-N69 PolarHBondContact O-N 3.49Å
68	N	40.7	Very low	35.4	Very low	153 Å²	153	148.2 Å²	148.2	82%	0.818	80%	0.803	S	S	*	*			trans	-70	111.8	170.4	-73.6	-46.5	0	0	0	107.7	Q66 E70	Q66-N68 PolarHBondContact O-N 2.81Å; N68-E70 PolarHBondContact O-N 3.38Å
69	N	34.4	Very low	35.4	Very low	162 Å²	162	149.8 Å²	149.8	87%	0.866	80%	0.803	S	S	*	*			trans	-57	110.9	166.1	-104	-5.3	0	0	0	109	D67 Q71	D67-N69 PolarHBondContact O-N 3.49Å; N69-Q71 PolarHBondContact O-N 2.94Å; N69-Q71 VanDerWaalsContact O-N 3.14Å
70	E	33.2	Very low	35.3	Very low	195 Å²	195	149.2 Å²	149.2	91%	0.911	80%	0.8	S	S	*	*			trans	-59.1	102.4	172.4	-163.5	172.5	-152.8	0	0	109.2	N68	N68-E70 PolarHBondContact O-N 3.38Å
71	Q	28.7	Very low	35.2	Very low	191 Å²	191	149 Å²	149	89%	0.893	80%	0.8	S	S	*	*			trans	-113.6	104.8	171	-140.6	170.3	6.9	0	0	107.7	N69	N69-Q71 PolarHBondContact O-N 2.94Å; N69-Q71 VanDerWaalsContact O-N 3.14Å
72	G	31.8	Very low	35	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	79%	0.792	S	S	*	*			trans	-60.9	137.4	-179.2	0	0	0	0	0	112.3
73	S	38	Very low	35.1	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	79%	0.792	S	S	*	*			trans	-117.9	125.7	162.7	61.5	0	0	0	0	108.7	D75	S73-D75 PolarHBondContact O-N 3.27Å; S73-D75 VanDerWaalsContact O-N 3.1Å
74	D	35.3	Very low	35.2	Very low	157 Å²	157	150.6 Å²	150.6	84%	0.84	79%	0.793	S	S	*	*			trans	-66.1	97	-178.4	-65.2	-47.7	0	0	0	112	T76	D74-T76 PolarHBondContact O-N 3.15Å
75	D	42.9	Very low	35.7	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	79%	0.789	S	S	*	*			trans	-88	86.5	169.6	-75.4	-30.7	0	0	0	110.3	S73	S73-D75 PolarHBondContact O-N 3.27Å; S73-D75 VanDerWaalsContact O-N 3.1Å
76	T	37.7	Very low	36	Very low	131 Å²	131	148.5 Å²	148.5	80%	0.804	79%	0.788	S	S	*	*			trans	-113.7	92	159.2	48.3	0	0	0	0	109.4	D74	D74-T76 PolarHBondContact O-N 3.15Å
77	N	35.7	Very low	36.2	Very low	147 Å²	147	149.2 Å²	149.2	79%	0.786	79%	0.791	S	S	*	*			trans	-148.9	93.3	149	-147.4	-15.8	0	0	0	113.3
78	T	35	Very low	36	Very low	103 Å²	103	145.4 Å²	145.4	63%	0.632	79%	0.788	S	S	*	*			trans	23.1	98.4	137.1	-3.4	0	0	0	0	118.2	Y80	T78-Y80 HydrophobicContact CG2-CD2 4.11Å; T78-Y80 HydrophobicContact CG2-CE2 3.79Å; T78-Y80 PolarHBondContact O-N 3.47Å
79	N	32.4	Very low	35.8	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	79%	0.788	S	S	*	*			trans	-56	114.1	155.8	178.6	7.3	0	0	0	111.9
80	Y	38.2	Very low	36.3	Very low	198 Å²	198	145.8 Å²	145.8	78%	0.776	79%	0.785	S	S	*	*			trans	-135.9	106.9	158.4	-84.2	-73.8	0	0	0	111.4	T78	T78-Y80 HydrophobicContact CG2-CD2 4.11Å; T78-Y80 HydrophobicContact CG2-CE2 3.79Å; T78-Y80 PolarHBondContact O-N 3.47Å
81	N	35.1	Very low	36.6	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	78%	0.777	S	S	*	*			trans	52.2	93.8	146	-85	-6.7	0	0	0	120.2	K83	N81-K83 PolarHBondContact O-N 3.47Å
82	T	32.7	Very low	37.2	Very low	110 Å²	110	142 Å²	142	68%	0.675	78%	0.776	S	S	*	*				-5.4	108	126.4	-41.5	0	0	0	0	116.2
83	K	37.5	Very low	37.4	Very low	192 Å²	192	145.1 Å²	145.1	84%	0.835	77%	0.774	S	S	*	*			trans	-124.8	107.1	143.6	-94.1	-173.9	176.4	-176.5	0	107.9	N81 E85	N81-K83 PolarHBondContact O-N 3.47Å; K83-E85 PolarHBondContact O-N 3.49Å
84	N	36.4	Very low	37.5	Very low	133 Å²	133	148.7 Å²	148.7	71%	0.711	79%	0.786	S	S	*	*			trans	-71	115	167.4	-66	-23.1	0	0	0	107.8
85	E	41.7	Very low	37.8	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.762	77%	0.772	S	S	*	*			trans	-114.2	104.8	155.4	-71.1	-174.2	-176.5	0	0	106.1	K83 E87	K83-E85 PolarHBondContact O-N 3.49Å; E85-E87 PolarHBondContact O-N 3.26Å
86	N	37	Very low	37.6	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	76%	0.764	S	S	*	*			trans	-71.3	96.7	174.1	-76.7	-23.6	0	0	0	107.9	G88	N86-G88 PolarHBondContact O-N 3.06Å
87	E	39.5	Very low	37.5	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	77%	0.766	S	S	*	*			trans	-89.2	91.8	160	-70.7	-177	170.8	0	0	107.3	E85 D89	E85-E87 PolarHBondContact O-N 3.26Å; E87-D89 PolarHBondContact O-N 2.88Å
88	G	32.2	Very low	37.7	Very low	75 Å²	75	146 Å²	146	77%	0.773	76%	0.763	S	S	*	*			trans	-76.1	106	166.9	0	0	0	0	0	108.2	N86	N86-G88 PolarHBondContact O-N 3.06Å
89	D	36.5	Very low	37.9	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	76%	0.763	S	S	*	*			trans	-106.1	143.5	171.8	-115.9	-11.1	0	0	0	110.4	E87	E87-D89 PolarHBondContact O-N 2.88Å
90	E	45.1	Very low	38.1	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	76%	0.761	S	S	*	*			trans	-74.8	137.7	-147.5	-53.8	-168.6	157.8	0	0	114.6	E92	E90-E92 PolarHBondContact O-N 2.96Å
91	T	39.6	Very low	38.3	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	76%	0.758	S	S	*	*			trans	-76.2	103.6	164.5	45.4	0	0	0	0	109.6	N93	T91-N93 PolarHBondContact O-N 3Å
92	E	42.1	Very low	38.5	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	76%	0.761	S	S	*	*			trans	-74.4	95.6	166.2	-71.2	-171.7	176.2	0	0	109.7	E90 N94	E90-E92 PolarHBondContact O-N 2.96Å; E92-N94 PolarHBondContact O-N 3.08Å; E92-N94 VanDerWaalsContact O-N 3.14Å
93	N	35.9	Very low	38.9	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	77%	0.765	S	S	*	*			trans	-61.7	105	163.5	-72.7	-66.2	0	0	0	108.8	T91 A95	T91-N93 PolarHBondContact O-N 3Å; N93-A95 PolarHBondContact O-N 2.91Å; N93-A95 VanDerWaalsContact O-N 3.11Å
94	N	39.7	Very low	39.1	Very low	173 Å²	173	142.8 Å²	142.8	93%	0.925	76%	0.764	S	S	*	*			trans	-86.1	77	165	-143	17.3	0	0	0	108.2	E92	E92-N94 PolarHBondContact O-N 3.08Å; E92-N94 VanDerWaalsContact O-N 3.14Å
95	A	40.3	Very low	39.3	Very low	67 Å²	67	144 Å²	144	55%	0.554	77%	0.765	S	S	*	*			trans	-74.1	129.5	170.9	0	0	0	0	0	109.6	N93	N93-A95 PolarHBondContact O-N 2.91Å; N93-A95 VanDerWaalsContact O-N 3.11Å
96	D	40.2	Very low	39	Very low	121 Å²	121	146.5 Å²	146.5	65%	0.647	77%	0.769	S	S	*	*			trans	60.9	79.4	142.5	-50.8	-23.8	0	0	0	118.4	Y98	D96-Y98 VanDerWaalsContact C-N 3.31Å; D96-Y98 HydrophobicContact CB-CD2 3.71Å; D96-Y98 HydrophobicContact CB-CE2 3.68Å; D96-Y98 PolarHBondContact O-N 3.21Å
97	N	35.3	Very low	39	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	76%	0.764	S	S	*	*			trans	-86.4	82.1	150.3	-163.3	-8.6	0	0	0	109.4	N99	N97-N99 PolarHBondContact O-N 3.46Å
98	Y	40	Very low	39	Very low	186 Å²	186	146 Å²	146	73%	0.729	76%	0.76	S	S	*	*			trans	-56.3	104.2	161	-80.2	-91.3	0	0	0	109.2	D96	D96-Y98 VanDerWaalsContact C-N 3.31Å; D96-Y98 HydrophobicContact CB-CD2 3.71Å; D96-Y98 HydrophobicContact CB-CE2 3.68Å; D96-Y98 PolarHBondContact O-N 3.21Å
99	N	39	Very low	39.4	Very low	116 Å²	116	147.9 Å²	147.9	62%	0.62	76%	0.756	S	S	*	*			trans	-126.5	58.9	152.5	-145.3	-1.6	0	0	0	108.7	N97 K101	N97-N99 PolarHBondContact O-N 3.46Å; N99-K101 PolarHBondContact O-N 3.34Å
100	S	36.4	Very low	39.6	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	75%	0.749	S	S	*	*			trans	-69.7	80	162.5	177.1	0	0	0	0	107.4	E102	S100-E102 VanDerWaalsContact C-N 3.35Å; S100-E102 PolarHBondContact O-N 3.45Å
101	K	41.4	Very low	39.2	Very low	162 Å²	162	145.8 Å²	145.8	70%	0.704	75%	0.75	S	S	*	*			trans	-68.9	102.7	162.5	-67.2	-176.2	-179.6	-178.8	0	106.4	N99 S103	N99-K101 PolarHBondContact O-N 3.34Å; K101-S103 PolarHBondContact O-N 3.14Å; K101-S103 VanDerWaalsContact O-N 3.14Å
102	E	40.5	Very low	39	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	75%	0.752	S	S	*	*			trans	14.2	90.5	146.6	-69.5	168.4	156.5	0	0	113	S100 D104	S100-E102 VanDerWaalsContact C-N 3.35Å; S100-E102 PolarHBondContact O-N 3.45Å; E102-D104 PolarHBondContact O-N 2.88Å; E102-D104 VanDerWaalsContact O-N 3.14Å
103	S	40.8	Very low	38.5	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	75%	0.75	S	S	*	*			trans	-70.2	105.3	159.4	56.3	0	0	0	0	106.1	K101 Q105	K101-S103 PolarHBondContact O-N 3.14Å; K101-S103 VanDerWaalsContact O-N 3.14Å; S103-Q105 PolarHBondContact O-N 3.41Å
104	D	42.4	Very low	38.5	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	75%	0.745	S	S	*	*			trans	-43	123.5	176.5	-69.7	-48.1	0	0	0	111.2	E102 Y106	E102-D104 PolarHBondContact O-N 2.88Å; E102-D104 VanDerWaalsContact O-N 3.14Å; D104-Y106 PolarHBondContact O-N 3.22Å
105	Q	40.4	Very low	38.4	Very low	158 Å²	158	141.3 Å²	141.3	74%	0.738	74%	0.741	S	S	*	*			trans	-61.4	99	174.6	-68.2	-103.5	-51.2	0	0	108.6	S103 Y107	S103-Q105 PolarHBondContact O-N 3.41Å; Q105-Y107 HydrophobicContact CB-CE2 4.41Å; Q105-Y107 PolarHBondContact O-N 3.38Å
106	Y	33.9	Very low	38.2	Very low	217 Å²	217	148.3 Å²	148.3	85%	0.851	76%	0.758	S	S	*	*			trans	-70.4	99.6	169.8	-147.6	-99.1	0	0	0	107.9	D104 D108	D104-Y106 PolarHBondContact O-N 3.22Å; Y106-D108 PolarHBondContact O-N 3.25Å
107	Y	38.4	Very low	37.9	Very low	185 Å²	185	147.1 Å²	147.1	73%	0.725	76%	0.757	S	S	*	*			trans	-66.5	102.3	170.7	-75.9	-81.2	0	0	0	108.6	Q105 T109	Q105-Y107 HydrophobicContact CB-CE2 4.41Å; Q105-Y107 PolarHBondContact O-N 3.38Å; Y107-T109 PolarHBondContact O-N 3.45Å; Y107-T109 PolarHBondContact O-OG1 3.15Å
108	D	38.9	Very low	37.8	Very low	138 Å²	138	149.2 Å²	149.2	74%	0.738	76%	0.755	S	S	*	*			trans	-69.7	83.6	170.2	-142.2	-5.9	0	0	0	108.4	Y106 N110	Y106-D108 PolarHBondContact O-N 3.25Å; D108-N110 PolarHBondContact O-N 2.99Å
109	T	40.8	Very low	37.5	Very low	113 Å²	113	149.2 Å²	149.2	69%	0.693	76%	0.762	S	S	*	*			trans	-81.4	57	-175.9	-54.1	0	0	0	0	108.9	Y107	Y107-T109 PolarHBondContact O-N 3.45Å; Y107-T109 PolarHBondContact O-OG1 3.15Å
110	N	41	Very low	37.1	Very low	125 Å²	125	150.4 Å²	150.4	67%	0.668	77%	0.768	S	S	*	*			trans	-154.5	38.4	175.9	-80.3	-46.1	0	0	0	112.1	D108 Y112	D108-N110 PolarHBondContact O-N 2.99Å; N110-Y112 PolarHBondContact O-N 2.98Å
111	N	37.1	Very low	37.2	Very low	155 Å²	155	154 Å²	154	83%	0.829	77%	0.773	S	S	*	*			trans	-80.9	79.2	162.7	-156.9	-2	0	0	0	108.9	A113	N111-A113 PolarHBondContact O-N 2.91Å
112	Y	33.4	Very low	36.8	Very low	201 Å²	201	157.3 Å²	157.3	79%	0.788	78%	0.782	S	S	*	*			trans	-60.6	87.8	167.8	-104.6	-94.8	0	0	0	108.8	N110 S114	N110-Y112 PolarHBondContact O-N 2.98Å; Y112-S114 PolarHBondContact O-N 2.81Å
113	A	31.9	Very low	36.4	Very low	100 Å²	100	152.7 Å²	152.7	83%	0.826	78%	0.781	S	S	*	*			trans	-69.3	84.9	163.3	0	0	0	0	0	108.5	N111	N111-A113 PolarHBondContact O-N 2.91Å
114	S	37	Very low	36.1	Very low	93 Å²	93	152.4 Å²	152.4	65%	0.65	78%	0.779	S	S	*	*			trans	-140	83.8	172.3	-171.3	0	0	0	0	110.3	Y112	Y112-S114 PolarHBondContact O-N 2.81Å
115	T	37.6	Very low	35.6	Very low	136 Å²	136	152.8 Å²	152.8	83%	0.834	78%	0.781	S	S	*	*			trans	-163	78.6	151.4	40.7	0	0	0	0	109.2
116	K	36.4	Very low	35.5	Very low	213 Å²	213	155.3 Å²	155.3	93%	0.926	79%	0.786	S	S	*	*			trans	-111.3	102.7	153.6	-80.3	-162.1	-179.7	-174.9	0	108.5
117	P	33.3	Very low	35.5	Very low	96 Å²	96	151.4 Å²	151.4	62%	0.623	78%	0.779	S	S	*	*			trans	-91.8	149.6	172.1	38.1	-31.3	0	0	0	109.9
118	Y	32.8	Very low	35.6	Very low	202 Å²	202	148.2 Å²	148.2	79%	0.792	78%	0.775	S	S	*	*			trans	74.3	95.6	167	-59	-81.1	0	0	0	118.4
119	Q	33	Very low	35.4	Very low	187 Å²	187	148.2 Å²	148.2	87%	0.874	78%	0.775	S	S	*	*				-140.5	94.2	127.4	-71	-158.3	-60.6	0	0	108.8
120	N	32.1	Very low	35.1	Very low	141 Å²	141	149.5 Å²	149.5	75%	0.754	78%	0.778	S	S	*	*			trans	-95.1	96.7	162.8	-82.6	-24.1	0	0	0	106.7
121	E	37.8	Very low	35	Very low	182 Å²	182	149.5 Å²	149.5	85%	0.85	78%	0.777	S	S	*	*			trans	-121.1	116.7	162.7	-81.1	-175.4	-179.6	0	0	109.2
122	Y	33	Very low	35.3	Very low	231 Å²	231	149.1 Å²	149.1	91%	0.906	78%	0.775	S	S	*	*			trans	-61.5	136.3	176	-76.1	-104.8	0	0	0	110.7
123	G	32.1	Very low	35.9	Very low	75 Å²	75	144.5 Å²	144.5	77%	0.773	76%	0.764	S	S	*	*			trans	133.9	99.7	149.2	0	0	0	0	0	114.9
124	S	34.2	Very low	36.2	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	77%	0.767	S	S	*	*				179.9	123.2	114.1	-167.6	0	0	0	0	110.1
125	N	32.4	Very low	36.6	Very low	158 Å²	158	150 Å²	150	85%	0.845	77%	0.773	S	S	*	*			trans	-76.4	117.1	170.3	-87.8	-36.7	0	0	0	110.2
126	Y	39.1	Very low	36.6	Very low	211 Å²	211	147.2 Å²	147.2	83%	0.827	77%	0.771	S	S	*	*			trans	-151.9	98.3	149.3	-74.1	-75.6	0	0	0	105.9
127	N	32.4	Very low	37	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	77%	0.765	S	S	*	*				70.2	133.4	90	-152.4	50.4	0	0	0	113.9
128	D	40.6	Very low	37.5	Very low	119 Å²	119	146.6 Å²	146.6	64%	0.636	77%	0.772	S	S	*	*			trans	91.2	91.9	167.5	-57.9	-43.4	0	0	0	119.2
129	N	36.2	Very low	38.2	Very low	138 Å²	138	145.5 Å²	145.5	74%	0.738	78%	0.78	S	S	*	*				53.2	117.6	117.7	-74.1	-31.9	0	0	0	119.5
130	N	34.3	Very low	38.6	Very low	140 Å²	140	139.8 Å²	139.8	75%	0.749	77%	0.771	S	S	*	*				38.4	96.1	129.9	-74.7	-0.7	0	0	0	116.1
131	N	38.9	Very low	39.3	Very low	124 Å²	124	140 Å²	140	66%	0.663	77%	0.773	S	S	*	*			trans	-132.4	78.3	144.6	-155.9	24.8	0	0	0	109.3	N133	N131-N133 PolarHBondContact ND2-ND2 3.16Å; N131-N133 VanDerWaalsContact ND2-ND2 3.16Å; N131-N133 PolarHBondContact O-N 2.92Å; N131-N133 PolarHBondContact OD1-ND2 3.12Å; N131-N133 PolarHBondContact OD1-OD1 2.88Å
132	D	43.3	Very low	39.5	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	77%	0.774	S	S	*	*			trans	-66.4	63.9	157.6	-69.8	-39.5	0	0	0	108.6	N134	D132-N134 VanDerWaalsContact C-N 3.31Å; D132-N134 PolarHBondContact O-N 2.86Å; D132-N134 VanDerWaalsContact O-N 3.17Å
133	N	44.7	Very low	40.1	Very low	105 Å²	105	135.1 Å²	135.1	56%	0.561	77%	0.768	S	S	*	*			trans	-86.6	87.8	167.4	-89.8	-3.9	0	0	0	108.1	N131 N135	N131-N133 PolarHBondContact ND2-ND2 3.16Å; N131-N133 VanDerWaalsContact ND2-ND2 3.16Å; N131-N133 PolarHBondContact O-N 2.92Å; N131-N133 PolarHBondContact OD1-ND2 3.12Å; N131-N133 PolarHBondContact OD1-OD1 2.88Å; N133-N135 PolarHBondContact O-N 2.72Å
134	N	39.5	Very low	40.5	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	76%	0.762	S	S	*	*			trans	-41.5	81.8	151.3	-167.5	38.5	0	0	0	110.7	D132	D132-N134 VanDerWaalsContact C-N 3.31Å; D132-N134 PolarHBondContact O-N 2.86Å; D132-N134 VanDerWaalsContact O-N 3.17Å
135	N	44.4	Very low	41	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	76%	0.763	S	S	*	*			trans	-122.8	111.4	175.1	-91.1	19.3	0	0	0	108.3	N133	N133-N135 PolarHBondContact O-N 2.72Å
136	G	38.4	Very low	41.5	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	77%	0.766	S	S	*	*			trans	167.2	48.8	172.8	0	0	0	0	0	112.2
137	D	45.2	Very low	41.7	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	76%	0.76	S	S	*	*			trans	-56.8	145.3	164	-73.5	-42.2	0	0	0	110.8
138	D	43.6	Very low	42	Very low	147 Å²	147	131 Å²	131	79%	0.786	76%	0.759	S	S	*	*			trans	47.8	93.3	148.1	-67.3	-23.2	0	0	0	119
139	N	47	Very low	42.2	Very low	178 Å²	178	132.2 Å²	132.2	95%	0.952	77%	0.766	S	S	*	*			trans	-114.1	76.1	145.5	-76.8	-44.5	0	0	0	108.4
140	G	40.7	Very low	42.5	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	77%	0.772	S	S	*	*			trans	-113.6	75.3	167	0	0	0	0	0	109.4
141	D	46.9	Very low	43	Very low	147 Å²	147	134 Å²	134	79%	0.786	77%	0.77	S	S	*	*			trans	-109.4	94.8	166.1	-88.6	-24.2	0	0	0	109.2	N143	D141-N143 VanDerWaalsContact C-N 3.33Å; D141-N143 PolarHBondContact O-N 2.61Å; D141-N143 VanDerWaalsContact O-N 3.14Å
142	D	43.7	Very low	43	Very low	163 Å²	163	131.7 Å²	131.7	87%	0.872	78%	0.775	S	S	*	*			trans	-74.9	77.7	173.7	-157.7	12.5	0	0	0	108.5	G144	D142-G144 PolarHBondContact O-N 3.25Å
143	N	44.9	Very low	43	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	77%	0.773	S	S	*	*			trans	-90.8	78.3	172.1	-76.4	-47.3	0	0	0	109.8	D141 D145	D141-N143 VanDerWaalsContact C-N 3.33Å; D141-N143 PolarHBondContact O-N 2.61Å; D141-N143 VanDerWaalsContact O-N 3.14Å; N143-D145 PolarHBondContact O-N 3.2Å
144	G	39.7	Very low	42.9	Very low	62 Å²	62	135.3 Å²	135.3	64%	0.639	79%	0.788	S	S	*	*			trans	-76.1	97.2	161.1	0	0	0	0	0	110.2	D142 E146	D142-G144 PolarHBondContact O-N 3.25Å; G144-E146 PolarHBondContact O-N 3.36Å
145	D	46.3	Very low	43	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	78%	0.777	S	S	*	*			trans	-92.1	91.5	161.4	-103.2	-27.1	0	0	0	108.6	N143 N147	N143-D145 PolarHBondContact O-N 3.2Å; D145-N147 PolarHBondContact O-N 2.75Å
146	E	42.9	Very low	42.6	Very low	191 Å²	191	129.9 Å²	129.9	89%	0.893	78%	0.777	S	S	*	*			trans	-71.5	74.2	165.2	-67.4	-177.5	162.6	0	0	109.7	G144 G148	G144-E146 PolarHBondContact O-N 3.36Å; E146-G148 PolarHBondContact O-N 3.02Å
147	N	43.3	Very low	42.9	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	78%	0.778	S	S	*	*			trans	-97.5	78.9	167	-71.6	-51.6	0	0	0	109.5	D145 D149	D145-N147 PolarHBondContact O-N 2.75Å; N147-D149 PolarHBondContact O-N 2.75Å
148	G	38.5	Very low	42.6	Very low	69 Å²	69	133 Å²	133	71%	0.711	78%	0.775	S	S	*	*			trans	-76.1	88.1	161.9	0	0	0	0	0	109.8	E146 E150	E146-G148 PolarHBondContact O-N 3.02Å; G148-E150 PolarHBondContact O-N 3.38Å
149	D	44.9	Very low	42.3	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	78%	0.775	S	S	*	*			trans	-83.6	90.9	164	-101.1	-29.7	0	0	0	108.9	N147 N151	N147-D149 PolarHBondContact O-N 2.75Å; D149-N151 VanDerWaalsContact C-N 3.31Å; D149-N151 PolarHBondContact O-N 2.72Å
150	E	42.4	Very low	41.8	Very low	185 Å²	185	129.8 Å²	129.8	86%	0.864	77%	0.772	S	S	*	*			trans	-67.5	83.7	163.8	-65.9	-179.6	165.9	0	0	109.5	G148	G148-E150 PolarHBondContact O-N 3.38Å
151	N	44.3	Very low	41.9	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	77%	0.766	S	S	*	*			trans	-115.9	80.4	164.6	-72.4	-55.5	0	0	0	109.4	D149 D153	D149-N151 VanDerWaalsContact C-N 3.31Å; D149-N151 PolarHBondContact O-N 2.72Å; N151-D153 PolarHBondContact O-N 3Å
152	G	38.2	Very low	41.9	Very low	75 Å²	75	133.3 Å²	133.3	77%	0.773	76%	0.763	S	S	*	*			trans	-76.5	91.4	161.8	0	0	0	0	0	109.4	E154	G152-E154 PolarHBondContact O-N 2.86Å
153	D	44.6	Very low	41.3	Very low	138 Å²	138	129.4 Å²	129.4	74%	0.738	76%	0.761	S	S	*	*			trans	-91.2	92.2	164.8	-109.4	-25.3	0	0	0	108.6	N151 N155	N151-D153 PolarHBondContact O-N 3Å; D153-N155 PolarHBondContact O-N 3.24Å; D153-N155 PolarHBondContact OD1-ND2 2.96Å
154	E	41.8	Very low	41.2	Very low	190 Å²	190	132.7 Å²	132.7	89%	0.888	76%	0.764	S	S	*	*			trans	-71.4	70	165.8	-67.8	-177.8	164.2	0	0	109.8	G152 G156	G152-E154 PolarHBondContact O-N 2.86Å; E154-G156 PolarHBondContact O-N 2.95Å
155	N	42.5	Very low	41.5	Very low	120 Å²	120	135.2 Å²	135.2	64%	0.642	76%	0.763	S	S	*	*			trans	-97.8	85.3	169	-70.6	-50.8	0	0	0	109.5	D153 D157	D153-N155 PolarHBondContact O-N 3.24Å; D153-N155 PolarHBondContact OD1-ND2 2.96Å; N155-D157 PolarHBondContact O-N 3.33Å
156	G	34.9	Very low	41.2	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	77%	0.769	S	S	*	*			trans	-75.3	92.8	163.1	0	0	0	0	0	110.3	E154	E154-G156 PolarHBondContact O-N 2.95Å
157	D	44.4	Very low	41.4	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	76%	0.763	S	S	*	*			trans	-106.4	92	166.6	-83.3	-30.1	0	0	0	110.6	N155	N155-D157 PolarHBondContact O-N 3.33Å
158	D	39.5	Very low	41.6	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	77%	0.768	S	S	*	*			trans	8.7	112.5	135.7	-141.3	3	0	0	0	117.9
159	H	37.1	Very low	42	Very low	169 Å²	169	143.8 Å²	143.8	78%	0.782	76%	0.764	S	S	*	*			trans	41.7	77.8	135.7	-72.2	-87.1	0	0	0	119.8	D161	H159-D161 PolarHBondContact O-N 3.04Å
160	G	36.9	Very low	41.9	Very low	87 Å²	87	143 Å²	143	90%	0.897	76%	0.764	S	S	*	*			trans	-84.5	74.7	158.5	0	0	0	0	0	112.7
161	D	41.7	Very low	41.9	Very low	105 Å²	105	143 Å²	143	56%	0.561	76%	0.761	S	S	*	*			trans	-74.3	132.1	176	-145.7	-0.4	0	0	0	111.2	H159	H159-D161 PolarHBondContact O-N 3.04Å
162	Y	46.6	Very low	41.9	Very low	184 Å²	184	141.3 Å²	141.3	72%	0.722	76%	0.76	S	S	*	*			trans	62.5	72.7	166.6	-47.1	-64.2	0	0	0	120	Y164	Y162-Y164 VanDerWaalsContact C-N 3.29Å; Y162-Y164 PolarHBondContact O-N 3.01Å
163	G	32.8	Very low	42.3	Very low	80 Å²	80	143.6 Å²	143.6	83%	0.825	76%	0.761	S	S	*	*			trans	-87.4	41.1	154.6	0	0	0	0	0	113.8	D165	G163-D165 PolarHBondContact O-N 3.43Å
164	Y	42.9	Very low	42.4	Very low	216 Å²	216	144.9 Å²	144.9	85%	0.847	77%	0.767	S	S	*	*			trans	-82.8	98.1	170.4	-82	-76.1	0	0	0	109.5	Y162 R166	Y162-Y164 VanDerWaalsContact C-N 3.29Å; Y162-Y164 PolarHBondContact O-N 3.01Å; Y164-R166 PolarHBondContact O-N 3.23Å
165	D	44.5	Very low	42.6	Very low	114 Å²	114	145.4 Å²	145.4	61%	0.61	77%	0.767	S	S	*	*			trans	-32.2	118.7	165	-79.4	-28.9	0	0	0	111.3	G163 R167	G163-D165 PolarHBondContact O-N 3.43Å; D165-R167 HydrophobicContact CB-CG 4.11Å; D165-R167 PolarHBondContact O-N 3.01Å; D165-R167 IonicContact OD2-CZ 3.1Å; D165-R167 IonicContact OD2-NE 3.66Å; D165-R167 IonicContact OD2-NH2 2.89Å; D165-R167 PolarHBondContact OD2-NH2 2.72Å; D165-R167 VanDerWaalsContact OD2-NH2 3.1Å
166	R	41	Very low	42.8	Very low	235 Å²	235	149.5 Å²	149.5	89%	0.887	78%	0.779	S	S	*	*			trans	-67.1	61.3	171.2	-169.2	-176.1	-86.3	-162.7	-6	110	Y164 K168	Y164-R166 PolarHBondContact O-N 3.23Å; R166-K168 PolarHBondContact O-N 2.96Å; R166-K168 VanDerWaalsContact O-N 3.11Å
167	R	46.7	Very low	43.2	Very low	204 Å²	204	155.7 Å²	155.7	77%	0.77	78%	0.784	S	S	*	*			trans	-74.3	103	168.5	-64.3	-173.8	-151.1	-171.5	6.4	107.2	D165 S169	D165-R167 HydrophobicContact CB-CG 4.11Å; D165-R167 PolarHBondContact O-N 3.01Å; D165-R167 IonicContact OD2-CZ 3.1Å; D165-R167 IonicContact OD2-NE 3.66Å; D165-R167 IonicContact OD2-NH2 2.89Å; D165-R167 PolarHBondContact OD2-NH2 2.72Å; D165-R167 VanDerWaalsContact OD2-NH2 3.1Å; R167-S169 PolarHBondContact O-N 3.15Å
168	K	48	Very low	42.9	Very low	186 Å²	186	153.5 Å²	153.5	81%	0.809	78%	0.781	S	S	*	*			trans	-57.1	80.6	169.9	-60.1	173.9	-177.6	176.6	0	109.1	R166 T170	R166-K168 PolarHBondContact O-N 2.96Å; R166-K168 VanDerWaalsContact O-N 3.11Å; K168-T170 PolarHBondContact O-N 2.73Å
169	S	45.9	Very low	43	Very low	89 Å²	89	151.7 Å²	151.7	62%	0.622	78%	0.779	S	S	*	*			trans	-78.3	101.6	168	81	0	0	0	0	107.7	R167 K171	R167-S169 PolarHBondContact O-N 3.15Å; S169-K171 PolarHBondContact O-N 2.94Å
170	T	43.3	Very low	43.4	Very low	126 Å²	126	152.2 Å²	152.2	77%	0.773	78%	0.782	S	S	*	*			trans	-65.5	83.7	167.6	48.2	0	0	0	0	108.1	K168 S172	K168-T170 PolarHBondContact O-N 2.73Å; T170-S172 VanDerWaalsContact C-N 3.35Å; T170-S172 PolarHBondContact O-N 3.42Å
171	K	42.4	Very low	43.7	Very low	186 Å²	186	156.8 Å²	156.8	81%	0.809	78%	0.777	S	S	*	*			trans	-73.2	96.4	168.5	-82	179.2	179.1	174.3	0	108	S169	S169-K171 PolarHBondContact O-N 2.94Å
172	S	45.3	Very low	43.8	Very low	96 Å²	96	158.8 Å²	158.8	67%	0.671	79%	0.788	S	S	*	*			trans	-48.3	137	167.2	-60.2	0	0	0	0	109.9	T170 L174	T170-S172 VanDerWaalsContact C-N 3.35Å; T170-S172 PolarHBondContact O-N 3.42Å; S172-L174 PolarHBondContact O-N 2.93Å
173	P	46.1	Very low	43.5	Very low	124 Å²	124	158.3 Å²	158.3	81%	0.805	79%	0.792	S	S	*	*			trans	-63.6	105.6	-179.4	23	-30.4	0	0	0	109.8	K175	P173-K175 PolarHBondContact O-N 3.01Å; P173-K175 VanDerWaalsContact O-N 3.09Å
174	L	46	Very low	44.3	Very low	164 Å²	164	162.7 Å²	162.7	86%	0.859	79%	0.789	S	S	*	*			trans	-59.2	112.3	167.6	-83.7	142.8	0	0	0	108.2	S172 K176	S172-L174 PolarHBondContact O-N 2.93Å; L174-K176 PolarHBondContact O-N 2.93Å
175	K	46.9	Very low	44.6	Very low	202 Å²	202	158.2 Å²	158.2	88%	0.878	78%	0.78	S	S	*	*			trans	-57.1	102.2	168.4	-68.1	-176.5	179.2	179.8	0	107.8	P173 K177	P173-K175 PolarHBondContact O-N 3.01Å; P173-K175 VanDerWaalsContact O-N 3.09Å; K175-K177 PolarHBondContact O-N 3.02Å
176	K	45.4	Very low	44.6	Very low	206 Å²	206	163.1 Å²	163.1	90%	0.896	79%	0.791	S	S	*	*			trans	-64.5	105.1	170.4	-69.9	-178.1	-179.6	177.9	0	107.1	L174 S178	L174-K176 PolarHBondContact O-N 2.93Å; K176-S178 PolarHBondContact O-N 3.2Å; K176-S178 VanDerWaalsContact O-N 3.15Å
177	K	43.1	Very low	44.9	Very low	203 Å²	203	161.6 Å²	161.6	88%	0.883	79%	0.787	S	S	*	*			trans	-60.5	114.5	162.4	-71.5	-179.1	177.1	179.8	0	106.4	K175 S179	K175-K177 PolarHBondContact O-N 3.02Å; K177-S179 PolarHBondContact O-N 3.02Å; K177-S179 VanDerWaalsContact O-N 3.11Å
178	S	39.9	Very low	44.5	Very low	109 Å²	109	156.8 Å²	156.8	76%	0.762	79%	0.785	S	S	*	*			trans	-65.3	106	172.5	55.6	0	0	0	0	108.1	K176 Q180	K176-S178 PolarHBondContact O-N 3.2Å; K176-S178 VanDerWaalsContact O-N 3.15Å; S178-Q180 PolarHBondContact O-N 3.19Å
179	S	41.7	Very low	44.3	Very low	100 Å²	100	153.3 Å²	153.3	70%	0.699	78%	0.779	S	S	*	*			trans	-76.3	106.8	159.6	49.8	0	0	0	0	106.9	K177 K181	K177-S179 PolarHBondContact O-N 3.02Å; K177-S179 VanDerWaalsContact O-N 3.11Å; S179-K181 VanDerWaalsContact C-N 3.28Å; S179-K181 PolarHBondContact O-N 2.83Å
180	Q	45.1	Very low	43.9	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	79%	0.788	S	S	*	*			trans	-61.1	97.9	161.2	-77.9	176.6	-29.5	0	0	106.6	S178 N182	S178-Q180 PolarHBondContact O-N 3.19Å; Q180-N182 PolarHBondContact O-N 2.81Å
181	K	42.5	Very low	43.9	Very low	182 Å²	182	155.8 Å²	155.8	79%	0.791	78%	0.782	S	S	*	*			trans	-73.5	110.8	164.6	-83.6	-178.7	175.1	179.8	0	106.2	S179 E183	S179-K181 VanDerWaalsContact C-N 3.28Å; S179-K181 PolarHBondContact O-N 2.83Å; K181-E183 PolarHBondContact O-N 3.18Å
182	N	43.4	Very low	43.9	Very low	148 Å²	148	154.4 Å²	154.4	79%	0.791	78%	0.784	S	S	*	*			trans	-55.9	103.8	166.2	-85.3	-23	0	0	0	108.5	Q180 K184	Q180-N182 PolarHBondContact O-N 2.81Å; N182-K184 VanDerWaalsContact C-N 3.33Å; N182-K184 PolarHBondContact O-N 3.25Å
183	E	40.6	Very low	43.9	Very low	173 Å²	173	156.8 Å²	156.8	81%	0.808	79%	0.789	S	S	*	*			trans	-68.5	94.6	166.6	-68.9	179.9	179.4	0	0	107	K181 N185	K181-E183 PolarHBondContact O-N 3.18Å; E183-N185 VanDerWaalsContact C-N 3.35Å; E183-N185 PolarHBondContact O-N 3.04Å
184	K	49	Very low	43.8	Very low	172 Å²	172	158 Å²	158	75%	0.748	79%	0.789	S	S	*	*			trans	-67.8	100.4	166	-71.6	-176.6	179.1	-179.7	0	106.8	N182 Y186	N182-K184 VanDerWaalsContact C-N 3.33Å; N182-K184 PolarHBondContact O-N 3.25Å; K184-Y186 VanDerWaalsContact O-CD2 3.32Å; K184-Y186 WeakPolarHBondContact O-CD2 3.45Å; K184-Y186 PolarHBondContact O-N 3.06Å
185	N	50.1	Low	43.7	Very low	123 Å²	123	154.8 Å²	154.8	66%	0.658	78%	0.78	S	S	*	*			trans	-59.5	107.5	169.4	-75.6	-29.5	0	0	0	108.8	E183 Y187	E183-N185 VanDerWaalsContact C-N 3.35Å; E183-N185 PolarHBondContact O-N 3.04Å; N185-Y187 HydrophobicContact CB-CE2 4.38Å; N185-Y187 PolarHBondContact O-N 2.9Å; N185-Y187 VanDerWaalsContact O-N 3.08Å
186	Y	44.7	Very low	43.5	Very low	217 Å²	217	150.9 Å²	150.9	85%	0.851	77%	0.769	S	S	*	*			trans	-71.4	96.7	166.5	-73.5	-92.9	0	0	0	107.6	K184 S188	K184-Y186 VanDerWaalsContact O-CD2 3.32Å; K184-Y186 WeakPolarHBondContact O-CD2 3.45Å; K184-Y186 PolarHBondContact O-N 3.06Å; Y186-S188 PolarHBondContact O-N 3.15Å
187	Y	47.3	Very low	43.5	Very low	202 Å²	202	146.7 Å²	146.7	79%	0.792	76%	0.756	S	S	*	*			trans	-69.1	106.3	159.4	-81.2	-83.6	0	0	0	107.4	N185 T189	N185-Y187 HydrophobicContact CB-CE2 4.38Å; N185-Y187 PolarHBondContact O-N 2.9Å; N185-Y187 VanDerWaalsContact O-N 3.08Å; Y187-T189 PolarHBondContact O-N 3.22Å
188	S	37.9	Very low	43.6	Very low	104 Å²	104	143.5 Å²	143.5	73%	0.727	75%	0.749	S	S	*	*			trans	-81.1	88.5	168.4	-166	0	0	0	0	107.2	Y186 E190	Y186-S188 PolarHBondContact O-N 3.15Å; S188-E190 PolarHBondContact O-N 3.08Å
189	T	44.3	Very low	44.1	Very low	113 Å²	113	144.5 Å²	144.5	69%	0.693	75%	0.746	S	S	*	*			trans	-81	92.6	167.5	50.5	0	0	0	0	107.4	Y187 S191	Y187-T189 PolarHBondContact O-N 3.22Å; T189-S191 VanDerWaalsContact C-N 3.3Å; T189-S191 PolarHBondContact O-N 2.95Å
190	E	37.5	Very low	44.7	Very low	171 Å²	171	150.1 Å²	150.1	80%	0.799	75%	0.753	S	S	*	*			trans	-64.4	95.6	160	-67.4	177.1	171.1	0	0	106.9	S188	S188-E190 PolarHBondContact O-N 3.08Å
191	S	43.6	Very low	45.1	Very low	95 Å²	95	151.6 Å²	151.6	66%	0.664	75%	0.753	S	S	*	*			trans	-102	95.7	168.7	49.6	0	0	0	0	108	T189 D193	T189-S191 VanDerWaalsContact C-N 3.3Å; T189-S191 PolarHBondContact O-N 2.95Å; S191-D193 PolarHBondContact O-N 3.15Å
192	D	41.2	Very low	45.2	Very low	157 Å²	157	152 Å²	152	84%	0.84	76%	0.755	S	S	*	*			trans	-69.8	76.7	166.2	-73.6	-37	0	0	0	109.6
193	D	45.9	Very low	45.3	Very low	147 Å²	147	150 Å²	150	79%	0.786	75%	0.75	S	S	*	*			trans	-127.4	78.7	167.6	-81.2	-39.4	0	0	0	109.6	S191 S195	S191-D193 PolarHBondContact O-N 3.15Å; D193-S195 PolarHBondContact O-N 2.91Å
194	N	43.9	Very low	45.4	Very low	148 Å²	148	149 Å²	149	79%	0.791	75%	0.75	S	S	*	*			trans	-73.2	67.2	164.9	-154.7	53.5	0	0	0	108.5	N196	N194-N196 PolarHBondContact O-N 3.22Å
195	S	43.5	Very low	45.1	Very low	98 Å²	98	149 Å²	149	69%	0.685	75%	0.752	S	S	*	*			trans	-78.3	93.8	169.9	176.8	0	0	0	0	108	D193 N197	D193-S195 PolarHBondContact O-N 2.91Å; S195-N197 VanDerWaalsContact C-N 3.3Å; S195-N197 PolarHBondContact O-N 2.72Å
196	N	43.5	Very low	44.8	Very low	119 Å²	119	150.7 Å²	150.7	64%	0.636	76%	0.756	S	S	*	*			trans	-56.9	94.1	165.4	-70.4	-21.2	0	0	0	108.7	N194 D198	N194-N196 PolarHBondContact O-N 3.22Å; N196-D198 VanDerWaalsContact C-N 3.32Å; N196-D198 PolarHBondContact O-N 2.94Å
197	N	44.8	Very low	44.7	Very low	118 Å²	118	149.3 Å²	149.3	63%	0.631	75%	0.754	S	S	*	*			trans	-94.6	73.1	166.7	-146.6	43.7	0	0	0	108	S195 D199	S195-N197 VanDerWaalsContact C-N 3.3Å; S195-N197 PolarHBondContact O-N 2.72Å; N197-D199 PolarHBondContact ND2-OD2 3.1Å; N197-D199 PolarHBondContact O-N 3.18Å; N197-D199 PolarHBondContact OD1-OD2 3.07Å
198	D	45.4	Very low	44.3	Very low	136 Å²	136	149.9 Å²	149.9	73%	0.727	76%	0.756	S	S	*	*			trans	-74.8	56.8	168.2	-72.8	-35.9	0	0	0	109.6	N196 Y200	N196-D198 VanDerWaalsContact C-N 3.32Å; N196-D198 PolarHBondContact O-N 2.94Å; D198-Y200 PolarHBondContact O-N 3.14Å
199	D	50.3	Low	44.5	Very low	130 Å²	130	151.5 Å²	151.5	70%	0.695	76%	0.757	S	S	*	*			trans	-77.4	63.3	163.7	-74.7	-33.8	0	0	0	108.1	N197 Y201	N197-D199 PolarHBondContact ND2-OD2 3.1Å; N197-D199 PolarHBondContact O-N 3.18Å; N197-D199 PolarHBondContact OD1-OD2 3.07Å; D199-Y201 PolarHBondContact O-N 3.11Å; D199-Y201 VanDerWaalsContact O-N 3.11Å
200	Y	54.4	Low	44.2	Very low	218 Å²	218	150.9 Å²	150.9	86%	0.855	76%	0.757	S	S	*	*			trans	-67.2	110.1	173.9	-158.3	-97.6	0	0	0	108.1	D198 K202	D198-Y200 PolarHBondContact O-N 3.14Å; Y200-K202 PolarHBondContact O-N 2.94Å
201	Y	53	Low	44.2	Very low	213 Å²	213	151.7 Å²	151.7	84%	0.835	76%	0.761	S	S	*	*			trans	-35.1	103.2	176.4	-145	-98.5	0	0	0	112.2	D199 P203	D199-Y201 PolarHBondContact O-N 3.11Å; D199-Y201 VanDerWaalsContact O-N 3.11Å; Y201-P203 WeakPolarHBondContact O-CD 3.31Å
202	K	45.8	Very low	43.9	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	77%	0.765	S	S	*	*			trans	-84.8	114.5	175.7	-160.7	167.3	-173.3	177.9	0	108.4	Y200	Y200-K202 PolarHBondContact O-N 2.94Å
203	P	43.7	Very low	43.5	Very low	106 Å²	106	153.4 Å²	153.4	69%	0.688	76%	0.762	S	S	*	*			trans	-66.1	139.4	-177.6	-15.3	29.2	0	0	0	110.4	Y201 H205	Y201-P203 WeakPolarHBondContact O-CD 3.31Å; P203-H205 PolarHBondContact O-N 3.14Å
204	N	42.8	Very low	43.1	Very low	151 Å²	151	154 Å²	154	81%	0.807	77%	0.766	S	S	*	*			trans	-53.3	95.7	170.1	-75	-29.8	0	0	0	110.2	E206	N204-E206 VanDerWaalsContact C-N 3.25Å; N204-E206 PolarHBondContact O-N 3.35Å
205	H	43.6	Very low	42.8	Very low	173 Å²	173	153.5 Å²	153.5	80%	0.801	76%	0.763	S	S	*	*			trans	-80.3	87	164.4	-140.6	-74.4	0	0	0	106.5	P203 K207	P203-H205 PolarHBondContact O-N 3.14Å; H205-K207 PolarHBondContact O-N 3.25Å
206	E	43	Very low	42.5	Very low	157 Å²	157	154.6 Å²	154.6	73%	0.734	76%	0.761	S	S	*	*			trans	-55.5	111.5	173.8	-72.6	-178.6	162.6	0	0	109.4	N204 Y208	N204-E206 VanDerWaalsContact C-N 3.25Å; N204-E206 PolarHBondContact O-N 3.35Å; E206-Y208 PolarHBondContact O-N 2.72Å
207	K	43.7	Very low	42.3	Very low	189 Å²	189	156.8 Å²	156.8	82%	0.822	77%	0.773	S	S	*	*			trans	17.6	77.5	140.1	-63.5	177.5	-178.7	175.8	0	114.9	H205 N209	H205-K207 PolarHBondContact O-N 3.25Å; K207-N209 VanDerWaalsContact C-N 3.28Å; K207-N209 PolarHBondContact O-N 2.98Å
208	Y	38.8	Very low	42	Very low	213 Å²	213	157.8 Å²	157.8	84%	0.835	78%	0.778	S	S	*	*			trans	-73.9	95.3	149.8	-84.3	-83.7	0	0	0	107.6	E206 S210	E206-Y208 PolarHBondContact O-N 2.72Å; Y208-S210 PolarHBondContact O-N 3.16Å; Y208-S210 VanDerWaalsContact O-N 3.11Å
209	N	42.1	Very low	41.6	Very low	139 Å²	139	158.3 Å²	158.3	74%	0.743	78%	0.781	S	S	*	*			trans	-58.4	106.8	162.4	-78.7	-18.3	0	0	0	108.3	K207	K207-N209 VanDerWaalsContact C-N 3.28Å; K207-N209 PolarHBondContact O-N 2.98Å
210	S	37.1	Very low	41.2	Very low	100 Å²	100	159 Å²	159	70%	0.699	78%	0.784	S	S	*	*			trans	-128	86.7	159.9	-179.9	0	0	0	0	107.4	Y208 N212	Y208-S210 PolarHBondContact O-N 3.16Å; Y208-S210 VanDerWaalsContact O-N 3.11Å; S210-N212 PolarHBondContact O-N 3.01Å
211	H	38	Very low	40.3	Very low	187 Å²	187	155.4 Å²	155.4	87%	0.866	78%	0.78	S	S	*	*			trans	-72.1	102.2	154.6	-74.1	46.5	0	0	0	105.8
212	N	36.5	Very low	39.5	Very low	140 Å²	140	153.2 Å²	153.2	75%	0.749	78%	0.783	S	S	*	*			trans	-136.7	109.7	155.1	-154.7	16.6	0	0	0	109.5	S210 N214	S210-N212 PolarHBondContact O-N 3.01Å; N212-N214 PolarHBondContact O-N 2.93Å
213	N	33.8	Very low	38.9	Very low	148 Å²	148	153.2 Å²	153.2	79%	0.791	79%	0.786	S	S	*	*			trans	-50.7	122	165.1	-83.3	-31.2	0	0	0	109.1
214	N	38.4	Very low	38.3	Very low	161 Å²	161	151.7 Å²	151.7	86%	0.861	79%	0.789	S	S	*	*			trans	-145.7	109.5	137.1	-119.6	-4	0	0	0	108.9	N212 N216	N212-N214 PolarHBondContact O-N 2.93Å; N214-N216 PolarHBondContact O-N 2.89Å
215	N	35.8	Very low	37.9	Very low	136 Å²	136	152.3 Å²	152.3	73%	0.727	79%	0.793	S	S	*	*			trans	-54.3	131	169.2	-87	-27.1	0	0	0	109.8
216	N	37.9	Very low	37.7	Very low	121 Å²	121	148.7 Å²	148.7	65%	0.647	79%	0.787	S	S	*	*			trans	41.9	88.7	134.6	-54.2	-10.1	0	0	0	115.6	N214	N214-N216 PolarHBondContact O-N 2.89Å
217	N	40.2	Very low	37.5	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	79%	0.791	S	S	*	*			trans	-140.7	73.8	142.4	-90.3	-26.6	0	0	0	106.6	N219	N217-N219 PolarHBondContact O-N 3.15Å
218	D	38.6	Very low	37.3	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	79%	0.789	S	S	*	*			trans	-70.9	95.7	166.5	-60.1	-49.1	0	0	0	107.6
219	N	36.5	Very low	37.4	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	78%	0.784	S	S	*	*			trans	-164.2	116.7	151	-77.7	-48.5	0	0	0	105.3	N217	N217-N219 PolarHBondContact O-N 3.15Å
220	D	41.2	Very low	37.3	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	79%	0.79	S	S	*	*			trans	151.3	107	141.6	-69.7	-18	0	0	0	107.9
221	D	35.2	Very low	37.2	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	79%	0.785	S	S	*	*			trans	47.5	98.8	138.9	-54.5	-28.7	0	0	0	116.9
222	D	37.4	Very low	37.2	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	79%	0.787	S	S	*	*			trans	-151.4	140.7	136.3	-107.1	-31.8	0	0	0	114.5
223	E	32.8	Very low	37.6	Very low	191 Å²	191	152 Å²	152	89%	0.893	80%	0.796	S	S	*	*			trans	-71.4	134.6	-169.6	-58.9	173.7	160.5	0	0	111.6
224	G	31.9	Very low	38.1	Very low	74 Å²	74	155.7 Å²	155.7	76%	0.763	80%	0.799	S	S	*	*			trans	-152.6	67.1	-178.5	0	0	0	0	0	112.4	S226	G224-S226 PolarHBondContact O-N 2.81Å
225	N	33.7	Very low	38.6	Very low	164 Å²	164	158 Å²	158	88%	0.877	80%	0.801	S	S	*	*			trans	-68	97.2	176.5	178	28.2	0	0	0	111.8
226	S	39.8	Very low	39.4	Very low	98 Å²	98	157.4 Å²	157.4	69%	0.685	80%	0.802	S	S	*	*			trans	-142.3	70.5	163.2	70.4	0	0	0	0	111.1	G224 D228	G224-S226 PolarHBondContact O-N 2.81Å; S226-D228 PolarHBondContact O-N 3.07Å
227	N	38.3	Very low	39.6	Very low	151 Å²	151	161.8 Å²	161.8	81%	0.807	82%	0.816	S	S	*	*			trans	-95	83.3	172.7	-127	-12.8	0	0	0	110.3	N229	N227-N229 VanDerWaalsContact C-N 3.25Å; N227-N229 PolarHBondContact O-N 3.08Å
228	D	38.6	Very low	39.5	Very low	146 Å²	146	157.4 Å²	157.4	78%	0.781	81%	0.81	S	S	*	*			trans	-67.1	79.9	167.5	-71.2	-35.9	0	0	0	110	S226	S226-D228 PolarHBondContact O-N 3.07Å
229	N	42.6	Very low	39.8	Very low	138 Å²	138	160.3 Å²	160.3	74%	0.738	82%	0.816	S	S	*	*			trans	-111.7	101.4	171.9	-166.3	0.6	0	0	0	110.4	N227 G231	N227-N229 VanDerWaalsContact C-N 3.25Å; N227-N229 PolarHBondContact O-N 3.08Å; N229-G231 PolarHBondContact O-N 3.12Å
230	Y	40	Very low	40.3	Very low	220 Å²	220	159.8 Å²	159.8	86%	0.863	82%	0.818	S	S	*	*			trans	-60.8	74.9	166.3	-76	-92.8	0	0	0	110.4	Y232	Y230-Y232 PolarHBondContact O-N 2.91Å
231	G	34.8	Very low	41	Very low	57 Å²	57	164 Å²	164	59%	0.588	82%	0.823	S	S	*	*			trans	-68.9	110.9	176.6	0	0	0	0	0	111.1	N229 R233	N229-G231 PolarHBondContact O-N 3.12Å; G231-R233 PolarHBondContact O-N 3.19Å
232	Y	37.7	Very low	41.4	Very low	233 Å²	233	166 Å²	166	91%	0.914	83%	0.825	S	S	*	*			trans	-37.9	110.3	165.8	-95	-102.3	0	0	0	111.8	Y230 R234	Y230-Y232 PolarHBondContact O-N 2.91Å; Y232-R234 PolarHBondContact O-N 3.45Å
233	R	44.8	Very low	42.1	Very low	248 Å²	248	164.8 Å²	164.8	94%	0.936	82%	0.824	S	S	*	*			trans	-64	92	173.4	-93.4	-178.5	167.6	-177.8	-2.3	110.3	G231 K235	G231-R233 PolarHBondContact O-N 3.19Å; R233-K235 PolarHBondContact O-N 2.89Å
234	R	43.8	Very low	42.4	Very low	227 Å²	227	163.4 Å²	163.4	86%	0.857	82%	0.815	S	S	*	*			trans	-75.2	111.7	167.9	-159.1	-178.3	-91.6	-157.6	-2.4	108.5	Y232 T236	Y232-R234 PolarHBondContact O-N 3.45Å; R234-T236 PolarHBondContact O-N 3.32Å
235	K	48.5	Very low	42.6	Very low	208 Å²	208	167.5 Å²	167.5	90%	0.904	81%	0.813	S	S	*	*			trans	-66.4	99.5	177.4	-64.5	-168.9	-179.4	-177.1	0	110.4	R233	R233-K235 PolarHBondContact O-N 2.89Å
236	T	52.5	Low	43.2	Very low	124 Å²	124	167.3 Å²	167.3	76%	0.761	81%	0.812	S	S	*	*			trans	-94.2	121.1	166.2	49.7	0	0	0	0	110.2	R234 G238	R234-T236 PolarHBondContact O-N 3.32Å; T236-G238 VanDerWaalsContact C-N 3.31Å; T236-G238 PolarHBondContact O-N 3.43Å
237	K	43.8	Very low	43.2	Very low	214 Å²	214	171.4 Å²	171.4	93%	0.93	82%	0.818	S	S	*	*			trans	-64.5	86	170.5	-69.7	-179.5	176	177.5	0	109.6	K239	K237-K239 PolarHBondContact O-N 3.31Å
238	G	38.1	Very low	43.4	Very low	73 Å²	73	171.9 Å²	171.9	75%	0.753	82%	0.815	S	S	*	*			trans	-78.6	114.2	173.9	0	0	0	0	0	110.8	T236	T236-G238 VanDerWaalsContact C-N 3.31Å; T236-G238 PolarHBondContact O-N 3.43Å
239	K	44.1	Very low	44	Very low	201 Å²	201	170.3 Å²	170.3	87%	0.874	82%	0.816	S	S	*	*			trans	-62.4	141.9	-179.1	-66.8	174	177.1	176	0	112	K237 R241	K237-K239 PolarHBondContact O-N 3.31Å; K239-R241 PolarHBondContact O-N 3.18Å
240	T	46.7	Very low	44.2	Very low	134 Å²	134	170.4 Å²	170.4	82%	0.822	82%	0.816	S	S	*	*			trans	-54.6	115.1	172	-20	0	0	0	0	110.9
241	R	55.1	Low	44.9	Very low	234 Å²	234	168.6 Å²	168.6	88%	0.883	82%	0.816	S	S	*	*			trans	-95.8	108.9	162.8	-81.6	-175.2	177.8	176.3	-0.2	108.4	K239 T243	K239-R241 PolarHBondContact O-N 3.18Å; R241-T243 PolarHBondContact O-N 3.2Å
242	K	44.6	Very low	45.7	Very low	186 Å²	186	171.5 Å²	171.5	81%	0.809	82%	0.822	S	S	*	*			trans	-76.7	100.2	164.4	-66.3	-172.4	178.4	-175.5	0	107.2
243	T	51.7	Low	46.6	Very low	140 Å²	140	167.6 Å²	167.6	86%	0.859	82%	0.817	S	S	*	*			trans	-93.1	109.3	163.6	-8.4	0	0	0	0	107.5	R241	R241-T243 PolarHBondContact O-N 3.2Å
244	K	39.7	Very low	47.1	Very low	162 Å²	162	163.1 Å²	163.1	70%	0.704	81%	0.807	S	S	*	*			trans	-84.4	145.5	174	-84.5	-175.9	174.2	-175.9	0	109.5
245	H	35.6	Very low	47.5	Very low	159 Å²	159	159.3 Å²	159.3	74%	0.736	80%	0.804	S	S	*	*			trans	60.3	108.7	157.3	-56.9	-62.6	0	0	0	117.6
246	N	46.2	Very low	47.6	Very low	160 Å²	160	157.6 Å²	157.6	86%	0.856	80%	0.804	S	S	*	*			trans	-143.2	107.1	132.3	-81.2	-32.6	0	0	0	105.3
247	K	40.4	Very low	47.5	Very low	184 Å²	184	156.1 Å²	156.1	80%	0.8	81%	0.805	S	S	*	*				91	102.9	81.5	-144	176.2	-169.2	-176.6	0	109.6
248	E	41.2	Very low	47.7	Very low	161 Å²	161	153.5 Å²	153.5	75%	0.752	80%	0.801	S	S	*	*			trans	16	125.7	154.4	-69.1	152	178.6	0	0	118.6
249	S	51.8	Low	48.1	Very low	113 Å²	113	156.8 Å²	156.8	79%	0.79	80%	0.801	S	S	*	*			trans	-122.5	99.5	141.7	52.9	0	0	0	0	106.9	E251	S249-E251 VanDerWaalsContact C-N 3.33Å; S249-E251 PolarHBondContact O-N 2.98Å
250	D	46.7	Very low	48.3	Very low	141 Å²	141	153.5 Å²	153.5	75%	0.754	79%	0.793	S	S	*	*			trans	-73	87.7	163.9	-78.8	-27.8	0	0	0	107.6
251	E	55.4	Low	48.7	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	79%	0.789	S	S	*	*			trans	-128.2	97.1	162.1	-71.6	-166.3	-174.7	0	0	108.7	S249 D253	S249-E251 VanDerWaalsContact C-N 3.33Å; S249-E251 PolarHBondContact O-N 2.98Å; E251-D253 PolarHBondContact O-N 2.77Å
252	T	51.5	Low	48.8	Very low	118 Å²	118	146.2 Å²	146.2	72%	0.724	77%	0.773	S	S	*	*			trans	-64.8	100.3	169.7	-43.2	0	0	0	0	108.9	E254	T252-E254 HydrophobicContact CG2-CG 3.53Å
253	D	55.9	Low	49.1	Very low	151 Å²	151	145 Å²	145	81%	0.807	77%	0.769	S	S	*	*			trans	-98.3	85.3	161.3	-160.3	-0.7	0	0	0	108.2	E251 N255	E251-D253 PolarHBondContact O-N 2.77Å; D253-N255 PolarHBondContact O-N 3.07Å
254	E	55.6	Low	49.1	Very low	154 Å²	154	145.8 Å²	145.8	72%	0.72	76%	0.761	S	S	*	*			trans	-75.3	102.5	163.6	-53.6	-157.9	168.5	0	0	107.1	T252	T252-E254 HydrophobicContact CG2-CG 3.53Å
255	N	53.1	Low	49.5	Very low	147 Å²	147	147 Å²	147	79%	0.786	77%	0.766	S	S	*	*			trans	174.7	75.1	147.6	-84.4	-33.6	0	0	0	110.6	D253	D253-N255 PolarHBondContact O-N 3.07Å
256	D	50.7	Low	50.5	Low	172 Å²	172	147.8 Å²	147.8	92%	0.92	76%	0.764	S	S	*	*			trans	-142.3	57.2	153.1	-132.6	-3.4	0	0	0	109.7
257	A	49.6	Very low	50.4	Low	93 Å²	93	144.7 Å²	144.7	77%	0.769	76%	0.761	S	S	*	*			trans	-112.6	67.7	179	0	0	0	0	0	110.1
258	N	47.6	Very low	50.9	Low	158 Å²	158	140 Å²	140	85%	0.845	75%	0.748	S	S	*	*	S	Bend	trans	177.5	108	145.2	-112	-24.4	0	0	0	111.1
259	N	46.4	Very low	51.2	Low	142 Å²	142	137.1 Å²	137.1	76%	0.759	75%	0.745	S	S	*	*				160.4	53.4	122.7	-164.8	24.9	0	0	0	110.4
260	D	49.6	Very low	51.3	Low	132 Å²	132	141.5 Å²	141.5	71%	0.706	75%	0.746	S	S	*	*			trans	-106	73	166	-165.9	1.7	0	0	0	109.5	S262	D260-S262 PolarHBondContact O-N 3.29Å; D260-S262 VanDerWaalsContact O-N 3.16Å; D260-S262 WeakPolarHBondContact OD1-CB 3.46Å; D260-S262 PolarHBondContact OD1-N 2.93Å; D260-S262 PolarHBondContact OD1-OG 3.34Å
261	D	55.2	Low	51.6	Low	137 Å²	137	139.4 Å²	139.4	73%	0.733	74%	0.738	S	S	*	*			trans	-79.4	25.7	175.1	-118.4	2	0	0	0	111.8	H263	D261-H263 PolarHBondContact O-N 3.31Å; D261-H263 VanDerWaalsContact O-N 3.12Å
262	S	56.8	Low	51.3	Low	78 Å²	78	141.1 Å²	141.1	55%	0.545	74%	0.737	S	S	.	*			trans	-79.6	14.5	-173.4	71.4	0	0	0	0	115.4	D260	D260-S262 PolarHBondContact O-N 3.29Å; D260-S262 VanDerWaalsContact O-N 3.16Å; D260-S262 WeakPolarHBondContact OD1-CB 3.46Å; D260-S262 PolarHBondContact OD1-N 2.93Å; D260-S262 PolarHBondContact OD1-OG 3.34Å
263	H	49.4	Very low	51.4	Low	160 Å²	160	141.9 Å²	141.9	74%	0.741	74%	0.736	S	S	*	*			trans	-118.4	64.8	177.2	-76.5	-7.8	0	0	0	113.7	D261	D261-H263 PolarHBondContact O-N 3.31Å; D261-H263 VanDerWaalsContact O-N 3.12Å
264	K	53.1	Low	51	Low	157 Å²	157	142.6 Å²	142.6	68%	0.683	73%	0.732	S	S	*	*			trans	-112.5	78.7	151.3	-80.7	173.2	-178.1	166.8	0	110.1	Y266	K264-Y266 HydrophobicContact CB-CD2 3.97Å; K264-Y266 HydrophobicContact CB-CE2 3.83Å; K264-Y266 HydrophobicContact CD-CE2 4.04Å; K264-Y266 HydrophobicContact CG-CE2 3.91Å; K264-Y266 PolarHBondContact O-N 3.38Å
265	K	46.8	Very low	50.8	Low	187 Å²	187	145.8 Å²	145.8	81%	0.813	74%	0.739	S	S	*	*			trans	-62.4	85.5	160.6	-70	179.8	-179.1	175.1	0	108.9
266	Y	57.4	Low	50.8	Low	177 Å²	177	144.3 Å²	144.3	69%	0.694	74%	0.738	S	S	*	*			trans	-101.3	77.5	157.4	-65.7	-70.3	0	0	0	108.2	K264 T268	K264-Y266 HydrophobicContact CB-CD2 3.97Å; K264-Y266 HydrophobicContact CB-CE2 3.83Å; K264-Y266 HydrophobicContact CD-CE2 4.04Å; K264-Y266 HydrophobicContact CG-CE2 3.91Å; K264-Y266 PolarHBondContact O-N 3.38Å; Y266-T268 PolarHBondContact O-N 3.25Å; Y266-T268 VanDerWaalsContact O-N 3.08Å
267	A	43.3	Very low	51.1	Low	95 Å²	95	141 Å²	141	79%	0.785	73%	0.728	S	S	*	*			trans	-76.2	75.1	152.9	0	0	0	0	0	106.7	S269	A267-S269 PolarHBondContact O-N 2.87Å
268	T	51.4	Low	51.2	Low	85 Å²	85	146.3 Å²	146.3	52%	0.521	73%	0.734	S	S	.	*			trans	-70.3	85.4	164.4	41.6	0	0	0	0	106.9	Y266 Y270	Y266-T268 PolarHBondContact O-N 3.25Å; Y266-T268 VanDerWaalsContact O-N 3.08Å; T268-Y270 WeakPolarHBondContact O-CD2 3.33Å; T268-Y270 PolarHBondContact O-N 2.91Å
269	S	48.1	Very low	51.6	Low	100 Å²	100	147.5 Å²	147.5	70%	0.699	73%	0.732	S	S	*	*			trans	-61.7	100.4	153.9	44.8	0	0	0	0	105.5	A267 T271	A267-S269 PolarHBondContact O-N 2.87Å; S269-T271 PolarHBondContact O-N 2.86Å
270	Y	53.7	Low	51.8	Low	206 Å²	206	150.5 Å²	150.5	81%	0.808	74%	0.738	S	S	*	*			trans	-66.5	88.5	165.1	-70.7	-84.8	0	0	0	106.2	T268 R272	T268-Y270 WeakPolarHBondContact O-CD2 3.33Å; T268-Y270 PolarHBondContact O-N 2.91Å; Y270-R272 VanDerWaalsContact C-N 3.33Å; Y270-R272 PolarHBondContact O-N 2.89Å
271	T	53.9	Low	51.7	Low	96 Å²	96	155 Å²	155	59%	0.589	75%	0.747	S	S	*	*			trans	-59.9	110.2	154.5	58.9	0	0	0	0	104.6	S269 D273	S269-T271 PolarHBondContact O-N 2.86Å; T271-D273 VanDerWaalsContact CB-OD2 3.31Å; T271-D273 WeakPolarHBondContact CB-OD2 3.34Å; T271-D273 PolarHBondContact O-N 2.9Å; T271-D273 PolarHBondContact OG1-OD2 2.72Å
272	R	48.3	Very low	51.2	Low	219 Å²	219	153.5 Å²	153.5	83%	0.826	75%	0.747	S	S	*	*			trans	-72.5	64.4	173.8	-170.5	-176.7	-171.1	158.7	2.6	107.5	Y270 K274	Y270-R272 VanDerWaalsContact C-N 3.33Å; Y270-R272 PolarHBondContact O-N 2.89Å; R272-K274 HydrophobicContact CG-CB 4.42Å; R272-K274 PolarHBondContact O-N 3.47Å
273	D	52.8	Low	50.5	Low	134 Å²	134	158.2 Å²	158.2	72%	0.717	75%	0.754	S	S	*	*			trans	-81.1	54.1	171.3	-61.4	-34.2	0	0	0	108.3	T271 Y275	T271-D273 VanDerWaalsContact CB-OD2 3.31Å; T271-D273 WeakPolarHBondContact CB-OD2 3.34Å; T271-D273 PolarHBondContact O-N 2.9Å; T271-D273 PolarHBondContact OG1-OD2 2.72Å; D273-Y275 PolarHBondContact O-N 3.26Å; D273-Y275 VanDerWaalsContact O-N 3.14Å
274	K	47.2	Very low	50.3	Low	165 Å²	165	155.9 Å²	155.9	72%	0.717	76%	0.755	S	S	*	*			trans	-87	61.4	173.8	-84.9	-171.9	178.3	-179	0	109.8	R272	R272-K274 HydrophobicContact CG-CB 4.42Å; R272-K274 PolarHBondContact O-N 3.47Å
275	Y	51.5	Low	49.8	Very low	221 Å²	221	154.6 Å²	154.6	87%	0.867	75%	0.75	S	S	*	*			trans	-116.2	92.7	144.8	-73.6	-74.9	0	0	0	107	D273 S277	D273-Y275 PolarHBondContact O-N 3.26Å; D273-Y275 VanDerWaalsContact O-N 3.14Å; Y275-S277 PolarHBondContact O-N 3.49Å
276	P	53.1	Low	49.6	Very low	116 Å²	116	154.6 Å²	154.6	75%	0.753	75%	0.746	S	S	*	*			trans	-57.2	117.2	169.4	22.2	-29.3	0	0	0	107.2	K278	P276-K278 PolarHBondContact O-N 3.28Å; P276-K278 VanDerWaalsContact O-N 3.11Å
277	S	56.9	Low	49.1	Very low	104 Å²	104	157.4 Å²	157.4	73%	0.727	76%	0.757	S	S	*	*			trans	-52.3	124.5	172.9	58.8	0	0	0	0	107.6	Y275 K279	Y275-S277 PolarHBondContact O-N 3.49Å; S277-K279 PolarHBondContact O-N 3.14Å
278	K	52.9	Low	48.8	Very low	204 Å²	204	164.1 Å²	164.1	89%	0.887	76%	0.762	S	S	*	*			trans	-56.7	103	177.1	-66.4	179.1	-179.1	178.8	0	107.2	P276 K280	P276-K278 PolarHBondContact O-N 3.28Å; P276-K278 VanDerWaalsContact O-N 3.11Å; K278-K280 PolarHBondContact O-N 3.44Å
279	K	56	Low	48.4	Very low	182 Å²	182	164.4 Å²	164.4	79%	0.791	77%	0.767	S	S	*	*			trans	-58.8	115.5	170.9	-71.2	-175.4	179.9	180	0	106.4	S277 Y281	S277-K279 PolarHBondContact O-N 3.14Å; K279-Y281 PolarHBondContact O-N 3.41Å
280	K	49.7	Very low	48.1	Very low	205 Å²	205	168.5 Å²	168.5	89%	0.891	77%	0.772	S	S	*	*			trans	-61.5	108.4	172.8	-66.7	-178.7	178.7	-179.9	0	106.8	K278 S282	K278-K280 PolarHBondContact O-N 3.44Å; K280-S282 PolarHBondContact O-N 3.17Å
281	Y	48.3	Very low	47.7	Very low	227 Å²	227	165.3 Å²	165.3	89%	0.89	77%	0.769	S	S	*	*			trans	-64.6	104.1	167.3	-77.2	-86.8	0	0	0	107.3	K279 Y283	K279-Y281 PolarHBondContact O-N 3.41Å; Y281-Y283 PolarHBondContact O-N 2.92Å
282	S	43.9	Very low	46.9	Very low	105 Å²	105	167.5 Å²	167.5	73%	0.734	78%	0.778	S	S	*	*			trans	-70.7	110.9	166.2	65.4	0	0	0	0	107.1	K280 S284	K280-S282 PolarHBondContact O-N 3.17Å; S282-S284 VanDerWaalsContact C-N 3.29Å; S282-S284 PolarHBondContact O-N 3.26Å
283	Y	42.6	Very low	46.4	Very low	178 Å²	178	161.8 Å²	161.8	70%	0.698	78%	0.777	S	S	*	*			trans	-67.5	84.4	174.4	-175.7	-113.1	0	0	0	109.5	Y281 K285	Y281-Y283 PolarHBondContact O-N 2.92Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 HydrophobicContact CD1-CD 4.11Å; Y283-K285 HydrophobicContact CD1-CG 3.87Å; Y283-K285 HydrophobicContact CE1-CB 4.43Å; Y283-K285 HydrophobicContact CE1-CD 3.37Å; Y283-K285 HydrophobicContact CE1-CG 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-K285 VanDerWaalsContact O-N 3.1Å; Y283-K285 VanDerWaalsContact OH-CE 3.24Å; Y283-K285 WeakPolarHBondContact OH-CE 2.97Å
284	S	45.4	Very low	45.7	Very low	110 Å²	110	164 Å²	164	77%	0.769	78%	0.783	S	S	*	*			trans	-80.2	87.5	170.3	61.4	0	0	0	0	108.8	S282 Y286	S282-S284 VanDerWaalsContact C-N 3.29Å; S282-S284 PolarHBondContact O-N 3.26Å; S284-Y286 PolarHBondContact O-N 2.9Å
285	K	42.6	Very low	45.2	Very low	130 Å²	130	159.6 Å²	159.6	57%	0.565	79%	0.785	S	S	*	*			trans	-57.2	126.2	164.1	-100.1	177.3	164.5	161.2	0	110.1	Y283	Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 HydrophobicContact CD1-CD 4.11Å; Y283-K285 HydrophobicContact CD1-CG 3.87Å; Y283-K285 HydrophobicContact CE1-CB 4.43Å; Y283-K285 HydrophobicContact CE1-CD 3.37Å; Y283-K285 HydrophobicContact CE1-CG 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-K285 VanDerWaalsContact O-N 3.1Å; Y283-K285 VanDerWaalsContact OH-CE 3.24Å; Y283-K285 WeakPolarHBondContact OH-CE 2.97Å
286	Y	42.3	Very low	44.5	Very low	188 Å²	188	155.8 Å²	155.8	74%	0.737	78%	0.78	S	S	*	*			trans	43.1	98.8	148.6	-53.8	-78.3	0	0	0	119	S284	S284-Y286 PolarHBondContact O-N 2.9Å
287	Y	46.9	Very low	44.3	Very low	236 Å²	236	158 Å²	158	93%	0.925	79%	0.785	S	S	*	*			trans	-135.7	83.1	137.8	-78	-78.9	0	0	0	108.7	S289	Y287-S289 PolarHBondContact O-N 3.34Å
288	R	38.4	Very low	43.6	Very low	236 Å²	236	160.2 Å²	160.2	89%	0.891	79%	0.789	S	S	*	*			trans	-80.9	97.5	162.4	-167.1	177.3	-166.3	-153.6	2	106.2	K290	R288-K290 PolarHBondContact O-N 2.83Å
289	S	42.8	Very low	43.6	Very low	90 Å²	90	158 Å²	158	63%	0.629	79%	0.786	S	S	*	*			trans	-61.8	106.8	175.6	-164.9	0	0	0	0	108.8	Y287 N291	Y287-S289 PolarHBondContact O-N 3.34Å; S289-N291 VanDerWaalsContact C-N 3.29Å; S289-N291 PolarHBondContact O-N 2.73Å; S289-N291 VanDerWaalsContact O-N 3.15Å; S289-N291 PolarHBondContact OG-OD1 3.06Å
290	K	41.9	Very low	42.9	Very low	186 Å²	186	155.5 Å²	155.5	81%	0.809	78%	0.782	S	S	*	*			trans	-78	85.4	165.8	-68	-172.2	-179.5	-176	0	107.2	R288	R288-K290 PolarHBondContact O-N 2.83Å
291	N	44.7	Very low	42.9	Very low	139 Å²	139	153 Å²	153	74%	0.743	78%	0.778	S	S	*	*			trans	-93.5	102.6	161.4	-71.3	-16.9	0	0	0	106.8	S289	S289-N291 VanDerWaalsContact C-N 3.29Å; S289-N291 PolarHBondContact O-N 2.73Å; S289-N291 VanDerWaalsContact O-N 3.15Å; S289-N291 PolarHBondContact OG-OD1 3.06Å
292	N	37.7	Very low	42.5	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	77%	0.771	S	S	*	*			trans	-61.8	129.2	161.5	-58.9	-24	0	0	0	107.4
293	A	37.8	Very low	42.5	Very low	98 Å²	98	151 Å²	151	81%	0.81	77%	0.767	S	S	*	*			trans	-145.2	99.8	155.4	0	0	0	0	0	105.7	G295	A293-G295 PolarHBondContact O-N 2.86Å
294	E	37.2	Very low	42.4	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	77%	0.772	S	S	*	*			trans	-54.9	121.8	167.7	-67.8	150.4	-178.1	0	0	107.9
295	G	36.8	Very low	42.1	Very low	74 Å²	74	153.5 Å²	153.5	76%	0.763	77%	0.77	S	S	*	*			trans	-126.6	81.5	165.4	0	0	0	0	0	105.6	A293	A293-G295 PolarHBondContact O-N 2.86Å
296	D	36.3	Very low	42	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	78%	0.783	S	S	*	*			trans	-62.4	131.2	157.5	-69.7	-39.6	0	0	0	107.5
297	D	49.5	Very low	42	Very low	161 Å²	161	155.9 Å²	155.9	86%	0.861	79%	0.787	S	S	*	*			trans	-177.3	121.9	133.1	-88.6	-25.8	0	0	0	108.9
298	D	42.3	Very low	41.7	Very low	151 Å²	151	151.1 Å²	151.1	81%	0.807	77%	0.773	S	S	*	*			trans	-61.4	127.3	176.2	-59.5	-65.6	0	0	0	111.4
299	D	51.7	Low	42	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	77%	0.767	S	S	*	*			trans	-136.7	78.4	153.3	-88.9	-34.8	0	0	0	108.4	D301	D299-D301 PolarHBondContact O-N 3.37Å
300	D	41.6	Very low	42	Very low	131 Å²	131	149.1 Å²	149.1	70%	0.701	77%	0.768	S	S	*	*			trans	-78.4	54	174.7	-152	25	0	0	0	109.9	K302	D300-K302 PolarHBondContact O-N 3.41Å
301	D	50.1	Low	42	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	77%	0.772	S	S	*	*			trans	-90.2	90.4	179.2	-112	-5.2	0	0	0	111.1	D299 N303	D299-D301 PolarHBondContact O-N 3.37Å; D301-N303 VanDerWaalsContact C-N 3.26Å; D301-N303 PolarHBondContact O-N 3.34Å
302	K	40.5	Very low	42.3	Very low	168 Å²	168	154.2 Å²	154.2	73%	0.73	78%	0.777	S	S	*	*			trans	-58	77.4	169.2	-67.4	170.4	-178.1	153.1	0	111.5	D300 K304	D300-K302 PolarHBondContact O-N 3.41Å; K302-K304 PolarHBondContact O-N 3.13Å; K302-K304 VanDerWaalsContact O-N 3.13Å
303	N	44.4	Very low	42.9	Very low	122 Å²	122	156.8 Å²	156.8	65%	0.652	78%	0.782	S	S	*	*			trans	-82.3	89.8	162	-165.2	10.2	0	0	0	109.9	D301 E305	D301-N303 VanDerWaalsContact C-N 3.26Å; D301-N303 PolarHBondContact O-N 3.34Å; N303-E305 PolarHBondContact ND2-OE2 2.81Å; N303-E305 VanDerWaalsContact ND2-OE2 3.11Å; N303-E305 PolarHBondContact O-N 2.97Å
304	K	39.7	Very low	43.5	Very low	186 Å²	186	157.2 Å²	157.2	81%	0.809	78%	0.779	S	S	*	*			trans	-69	74.3	163.8	-71.9	-178.5	178.3	175.1	0	108.9	K302	K302-K304 PolarHBondContact O-N 3.13Å; K302-K304 VanDerWaalsContact O-N 3.13Å
305	E	39.3	Very low	44.1	Very low	156 Å²	156	158 Å²	158	73%	0.729	78%	0.779	S	S	*	*			trans	-93.1	127.2	175	-151.4	165.5	177.3	0	0	111.1	N303	N303-E305 PolarHBondContact ND2-OE2 2.81Å; N303-E305 VanDerWaalsContact ND2-OE2 3.11Å; N303-E305 PolarHBondContact O-N 2.97Å
306	Y	39.4	Very low	44.9	Very low	212 Å²	212	163.9 Å²	163.9	83%	0.831	78%	0.784	S	S	*	*			trans	-56.7	141.9	-166.6	-80.8	-109.6	0	0	0	113.1	H308	Y306-H308 PolarHBondContact O-N 3.43Å
307	N	43.6	Very low	45.7	Very low	156 Å²	156	163.4 Å²	163.4	83%	0.834	79%	0.786	S	S	*	*			trans	-51.1	83.1	163	-93.1	-46.9	0	0	0	111.1	N309	N307-N309 PolarHBondContact O-N 3.32Å
308	H	40.8	Very low	45.9	Very low	135 Å²	135	160.7 Å²	160.7	63%	0.625	78%	0.779	S	S	*	*			trans	-83.8	94.8	162.3	-147.6	-73.3	0	0	0	106.9	Y306 H310	Y306-H308 PolarHBondContact O-N 3.43Å; H308-H310 AromaticContact CE1-CE1 3.41Å; H308-H310 PolarHBondContact CE1-CE1 3.05Å; H308-H310 VanDerWaalsContact CE1-CE1 3.41Å; H308-H310 AromaticContact CE1-ND1 3.84Å; H308-H310 AromaticContact CE1-NE2 3.86Å; H308-H310 AromaticContact CG-CD2 3.98Å; H308-H310 AromaticContact CG-CE1 3.87Å; H308-H310 AromaticContact CG-NE2 3.53Å; H308-H310 AromaticContact ND1-CD2 3.52Å; H308-H310 AromaticContact ND1-CE1 3.04Å; H308-H310 PolarHBondContact ND1-CE1 3.11Å; H308-H310 AromaticContact ND1-CG 3.68Å; H308-H310 AromaticContact ND1-ND1 3.38Å; H308-H310 PolarHBondContact ND1-ND1 3.02Å; H308-H310 AromaticContact ND1-NE2 3.12Å; H308-H310 PolarHBondContact ND1-NE2 3.16Å; H308-H310 VanDerWaalsContact ND1-NE2 3.12Å; H308-H310 PolarHBondContact O-N 2.96Å
309	N	43.6	Very low	46.6	Very low	142 Å²	142	164.3 Å²	164.3	76%	0.759	78%	0.782	S	S	*	*			trans	-56.8	78.4	165.1	-79.9	-36.4	0	0	0	109.2	N307 R311	N307-N309 PolarHBondContact O-N 3.32Å; N309-R311 PolarHBondContact O-N 3.22Å
310	H	42.9	Very low	46.6	Very low	143 Å²	143	167.8 Å²	167.8	66%	0.662	78%	0.783	S	S	*	*			trans	-75.9	74.8	162.6	-71	-64.4	0	0	0	107.2	H308 K312	H308-H310 AromaticContact CE1-CE1 3.41Å; H308-H310 PolarHBondContact CE1-CE1 3.05Å; H308-H310 VanDerWaalsContact CE1-CE1 3.41Å; H308-H310 AromaticContact CE1-ND1 3.84Å; H308-H310 AromaticContact CE1-NE2 3.86Å; H308-H310 AromaticContact CG-CD2 3.98Å; H308-H310 AromaticContact CG-CE1 3.87Å; H308-H310 AromaticContact CG-NE2 3.53Å; H308-H310 AromaticContact ND1-CD2 3.52Å; H308-H310 AromaticContact ND1-CE1 3.04Å; H308-H310 PolarHBondContact ND1-CE1 3.11Å; H308-H310 AromaticContact ND1-CG 3.68Å; H308-H310 AromaticContact ND1-ND1 3.38Å; H308-H310 PolarHBondContact ND1-ND1 3.02Å; H308-H310 AromaticContact ND1-NE2 3.12Å; H308-H310 PolarHBondContact ND1-NE2 3.16Å; H308-H310 VanDerWaalsContact ND1-NE2 3.12Å; H308-H310 PolarHBondContact O-N 2.96Å; H310-K312 PolarHBondContact O-N 3.32Å
311	R	42.8	Very low	47.3	Very low	233 Å²	233	171 Å²	171	88%	0.879	79%	0.791	S	S	*	*			trans	-52.2	98.8	156.1	-175	175.5	-175.7	173.2	2.2	105.5	N309 K313	N309-R311 PolarHBondContact O-N 3.22Å; R311-K313 VanDerWaalsContact C-N 3.3Å; R311-K313 PolarHBondContact O-N 3.02Å
312	K	51.3	Low	47.5	Very low	199 Å²	199	171.2 Å²	171.2	87%	0.865	78%	0.784	S	S	*	*			trans	-56.9	99.3	176.3	-69.6	-178.8	-179.5	176.2	0	106.1	H310 S314	H310-K312 PolarHBondContact O-N 3.32Å; K312-S314 PolarHBondContact O-N 3.11Å
313	K	50.4	Low	47.9	Very low	196 Å²	196	172 Å²	172	85%	0.852	79%	0.791	S	S	*	*			trans	-61.2	105.9	168.5	-68.7	-177.9	-179	177.7	0	104.4	R311 K315	R311-K313 VanDerWaalsContact C-N 3.3Å; R311-K313 PolarHBondContact O-N 3.02Å; K313-K315 PolarHBondContact O-N 3.14Å
314	S	49.8	Very low	48.2	Very low	107 Å²	107	175.2 Å²	175.2	75%	0.748	80%	0.795	S	S	*	*			trans	-55	115.4	169.7	45.1	0	0	0	0	106.4	K312 K316	K312-S314 PolarHBondContact O-N 3.11Å; S314-K316 PolarHBondContact O-N 2.94Å
315	K	48.6	Very low	48.6	Very low	197 Å²	197	172.7 Å²	172.7	86%	0.857	80%	0.796	S	S	*	*			trans	-58.3	107.4	170.2	-88	177.4	174.7	172.5	0	105.4	K313 V317	K313-K315 PolarHBondContact O-N 3.14Å; K315-V317 PolarHBondContact O-N 3.07Å
316	K	54.8	Low	49	Very low	198 Å²	198	174.2 Å²	174.2	86%	0.861	80%	0.8	S	S	*	*			trans	-53.5	115.1	167	-71.2	-174.2	177.8	-178	0	105.6	S314 S318	S314-K316 PolarHBondContact O-N 2.94Å; K316-S318 PolarHBondContact O-N 3.33Å
317	V	53.4	Low	49.3	Very low	131 Å²	131	167.8 Å²	167.8	79%	0.794	79%	0.786	S	S	*	*			trans	-62.4	97.7	170.5	177	0	0	0	0	105	K315 R319	K315-V317 PolarHBondContact O-N 3.07Å; V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 3.39Å
318	S	53.8	Low	49.6	Very low	103 Å²	103	167 Å²	167	72%	0.72	78%	0.782	S	S	*	*			trans	-62	99	166.9	-179.9	0	0	0	0	105.2	K316 R320	K316-S318 PolarHBondContact O-N 3.33Å; S318-R320 VanDerWaalsContact C-N 3.27Å; S318-R320 PolarHBondContact O-N 2.89Å
319	R	55.7	Low	50	Low	228 Å²	228	167 Å²	167	86%	0.86	79%	0.786	S	S	*	*			trans	-59	100.7	167.2	-83.4	-179.7	171	157.1	-3.1	105	V317 K321	V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 3.39Å; R319-K321 PolarHBondContact O-N 3.45Å
320	R	53	Low	50	Low	229 Å²	229	167.1 Å²	167.1	86%	0.864	79%	0.787	S	S	*	*			trans	-53.1	113.6	165.6	-71.9	-177.5	-157.2	162.4	6	105.3	S318 K322	S318-R320 VanDerWaalsContact C-N 3.27Å; S318-R320 PolarHBondContact O-N 2.89Å; R320-K322 PolarHBondContact O-N 3.44Å
321	K	54.9	Low	49.9	Very low	198 Å²	198	165.9 Å²	165.9	86%	0.861	79%	0.794	S	S	*	*			trans	-59.3	110.9	167.3	-69	-177.7	178.2	-178	0	104.6	R319 E323	R319-K321 PolarHBondContact O-N 3.45Å; K321-E323 PolarHBondContact O-N 3.49Å
322	K	55.1	Low	49.7	Very low	156 Å²	156	157.9 Å²	157.9	68%	0.678	78%	0.784	S	S	*	*			trans	-64.9	107.1	167.2	-75.1	-177.5	177.6	-178.4	0	104.8	R320 Y324	R320-K322 PolarHBondContact O-N 3.44Å; K322-Y324 VanDerWaalsContact C-N 3.32Å; K322-Y324 HydrophobicContact CB-CD2 4.39Å; K322-Y324 HydrophobicContact CB-CE1 4.47Å; K322-Y324 HydrophobicContact CB-CE2 3.92Å; K322-Y324 WeakPolarHBondContact O-CD2 3.48Å; K322-Y324 PolarHBondContact O-N 3.15Å
323	E	48.8	Very low	49.4	Very low	184 Å²	184	155 Å²	155	86%	0.86	78%	0.779	S	S	*	*			trans	-65.2	102.4	163	-73.2	178	178.1	0	0	105.6	K321 T325	K321-E323 PolarHBondContact O-N 3.49Å; E323-T325 PolarHBondContact O-N 3.07Å
324	Y	51	Low	49.3	Very low	191 Å²	191	154 Å²	154	75%	0.749	78%	0.777	S	S	*	*			trans	-75.5	106.7	167	-65.3	-80.2	0	0	0	105.8	K322 K326	K322-Y324 VanDerWaalsContact C-N 3.32Å; K322-Y324 HydrophobicContact CB-CD2 4.39Å; K322-Y324 HydrophobicContact CB-CE1 4.47Å; K322-Y324 HydrophobicContact CB-CE2 3.92Å; K322-Y324 WeakPolarHBondContact O-CD2 3.48Å; K322-Y324 PolarHBondContact O-N 3.15Å; Y324-K326 PolarHBondContact O-N 3.42Å
325	T	48.4	Very low	49.6	Very low	133 Å²	133	154.5 Å²	154.5	82%	0.816	77%	0.771	S	S	*	*			trans	-60.4	107.9	159.7	47	0	0	0	0	106.2	E323 S327	E323-T325 PolarHBondContact O-N 3.07Å; T325-S327 VanDerWaalsContact C-N 3.28Å; T325-S327 PolarHBondContact O-N 3.15Å
326	K	47.3	Very low	49.6	Very low	187 Å²	187	153.1 Å²	153.1	81%	0.813	77%	0.773	S	S	*	*			trans	-70.6	91.7	171.2	-161.8	172.9	-173.7	-179.4	0	105.8	Y324 N328	Y324-K326 PolarHBondContact O-N 3.42Å; K326-N328 PolarHBondContact O-N 3.01Å
327	S	44.9	Very low	49.5	Very low	78 Å²	78	150.7 Å²	150.7	55%	0.545	77%	0.769	S	S	.	*			trans	-64.2	123.2	162.9	49	0	0	0	0	106.1	T325 D329	T325-S327 VanDerWaalsContact C-N 3.28Å; T325-S327 PolarHBondContact O-N 3.15Å; S327-D329 VanDerWaalsContact CB-OD2 3.31Å; S327-D329 WeakPolarHBondContact CB-OD2 3.24Å; S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 PolarHBondContact OG-OD2 2.92Å
328	N	49.4	Very low	49.1	Very low	140 Å²	140	149.1 Å²	149.1	75%	0.749	76%	0.756	S	S	*	*			trans	-74.5	74.8	168.4	-63.7	-35.6	0	0	0	105.8	K326 D330	K326-N328 PolarHBondContact O-N 3.01Å; N328-D330 PolarHBondContact O-N 3.04Å
329	D	49.3	Very low	48.7	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	76%	0.756	S	S	*	*			trans	-83	107	168.1	-64.4	-44.7	0	0	0	105.6	S327 S331	S327-D329 VanDerWaalsContact CB-OD2 3.31Å; S327-D329 WeakPolarHBondContact CB-OD2 3.24Å; S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 PolarHBondContact OG-OD2 2.92Å; D329-S331 PolarHBondContact O-N 3.02Å
330	D	44.8	Very low	48.4	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	75%	0.748	S	S	*	*			trans	-44	129.9	-177	-73.7	-49.2	0	0	0	111.7	N328 G332	N328-D330 PolarHBondContact O-N 3.04Å; D330-G332 PolarHBondContact O-N 3.2Å
331	S	41.4	Very low	48.4	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	73%	0.727	S	S	*	*			trans	-4.6	81.8	152.6	53.8	0	0	0	0	115.6	D329 N333	D329-S331 PolarHBondContact O-N 3.02Å; S331-N333 PolarHBondContact O-N 3.06Å
332	G	38	Very low	48.2	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	71%	0.712	S	S	*	*			trans	-77.3	101.6	151.2	0	0	0	0	0	106.8	D330 E334	D330-G332 PolarHBondContact O-N 3.2Å; G332-E334 PolarHBondContact O-N 3.4Å
333	N	43.8	Very low	48.1	Very low	139 Å²	139	133.6 Å²	133.6	74%	0.743	71%	0.713	S	S	*	*			trans	-64.3	86.9	168.4	-172.7	56.8	0	0	0	107.1	S331 D335	S331-N333 PolarHBondContact O-N 3.06Å; N333-D335 PolarHBondContact O-N 3.44Å
334	E	50.1	Low	48.3	Very low	175 Å²	175	133.8 Å²	133.8	82%	0.818	71%	0.705	S	S	*	*			trans	-70	103.7	169.6	-72.9	-176.1	-176.5	0	0	106.5	G332 N336	G332-E334 PolarHBondContact O-N 3.4Å; E334-N336 PolarHBondContact O-N 2.92Å; E334-N336 VanDerWaalsContact O-N 3.13Å
335	D	54.9	Low	48.6	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	70%	0.704	S	S	*	*			trans	-45.4	119.9	171.9	-67	-45.6	0	0	0	108.5	N333 D337	N333-D335 PolarHBondContact O-N 3.44Å; D335-D337 PolarHBondContact O-N 3.5Å
336	N	48.7	Very low	49.1	Very low	167 Å²	167	133.9 Å²	133.9	89%	0.893	69%	0.693	S	S	*	*			trans	-68.2	72.5	170	-77.8	-55.8	0	0	0	108	E334 N338	E334-N336 PolarHBondContact O-N 2.92Å; E334-N336 VanDerWaalsContact O-N 3.13Å; N336-N338 PolarHBondContact O-N 3.3Å
337	D	52	Low	49.4	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	69%	0.686	S	S	*	*			trans	-72.2	80.4	170.8	-84	-13.5	0	0	0	108.4	D335	D335-D337 PolarHBondContact O-N 3.5Å
338	N	46.5	Very low	49.7	Very low	98 Å²	98	137.4 Å²	137.4	52%	0.524	70%	0.695	S	S	.	*			trans	57.1	74.3	136.5	-153.6	11.9	0	0	0	115.8	N336 E340 N341	N336-N338 PolarHBondContact O-N 3.3Å; N338-E340 PolarHBondContact O-N 3.11Å; N338-E340 WeakPolarHBondContact OD1-CB 3.32Å; N338-E340 PolarHBondContact OD1-N 2.75Å; N338-N341 PolarHBondContact O-N 3.37Å
339	G	44.4	Very low	50.3	Low	69 Å²	69	136.7 Å²	136.7	71%	0.711	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-1.4	163.7	0	0	0	0	0	114.8	N341	G339-N341 PolarHBondContact O-N 3.43Å
340	E	49.7	Very low	50.7	Low	150 Å²	150	136.3 Å²	136.3	70%	0.701	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-14	174.5	-152.1	173.8	-144.5	0	0	112.8	N338 E342	N338-E340 PolarHBondContact O-N 3.11Å; N338-E340 WeakPolarHBondContact OD1-CB 3.32Å; N338-E340 PolarHBondContact OD1-N 2.75Å; E340-E342 PolarHBondContact O-N 2.93Å
341	N	52.2	Low	51.6	Low	76 Å²	76	134.6 Å²	134.6	41%	0.406	70%	0.7	S	S	.	*	H	α-helix	trans	-86.1	-3.3	-176.4	-142.5	5.7	0	0	0	114.9	N338 G339 R345	N338-N341 PolarHBondContact O-N 3.37Å; G339-N341 PolarHBondContact O-N 3.43Å; N341-R345 WeakPolarHBondContact O-CG 3.34Å
342	E	52.1	Low	52.6	Low	120 Å²	120	140 Å²	140	56%	0.561	70%	0.702	S	S	*	*	H	α-helix	trans	-83.1	-37.8	177.2	-146.9	-170.9	150.5	0	0	112.6	E340 R344 R345 K346	E340-E342 PolarHBondContact O-N 2.93Å; E342-R344 PolarHBondContact O-N 3.03Å; E342-R345 PolarHBondContact O-N 3.23Å; E342-K346 PolarHBondContact O-N 3.17Å; E342-K346 IonicContact OE1-NZ 3.85Å; E342-K346 PolarHBondContact OE1-NZ 3.06Å
343	Y	51.7	Low	53.9	Low	174 Å²	174	148.3 Å²	148.3	68%	0.682	71%	0.713	S	S	*	*	H	α-helix	trans	-65.9	-39.4	177.2	-74.5	-81.7	0	0	0	112	R345 K346 Y347	Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.24Å; Y343-K346 PolarHBondContact O-N 3.08Å; Y343-Y347 HydrophobicContact CD1-CE2 4.49Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.38Å; Y343-Y347 PolarHBondContact O-N 2.88Å
344	R	53.9	Low	55.1	Low	188 Å²	188	151.1 Å²	151.1	71%	0.709	72%	0.719	S	S	*	*	H	α-helix	trans	-69.1	-23.9	-178.9	-161.2	175	168.5	-138	0.7	113.5	E342	E342-R344 PolarHBondContact O-N 3.03Å
345	R	56.6	Low	55.9	Low	190 Å²	190	152.2 Å²	152.2	72%	0.717	72%	0.721	S	S	*	*	H	α-helix	trans	-74.8	-35.8	173	-69.7	-177.4	-155	-150.8	6.3	112.2	N341 E342 Y343 Y347	N341-R345 WeakPolarHBondContact O-CG 3.34Å; E342-R345 PolarHBondContact O-N 3.23Å; Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.24Å; R345-Y347 VanDerWaalsContact C-N 3.34Å
346	K	59.5	Low	56.5	Low	135 Å²	135	156.1 Å²	156.1	59%	0.587	73%	0.732	S	S	*	*	H	α-helix	trans	-74.1	-26.7	-178.4	-67.6	179.3	-173.3	164.4	0	112.4	E342 Y343	E342-K346 PolarHBondContact O-N 3.17Å; E342-K346 IonicContact OE1-NZ 3.85Å; E342-K346 PolarHBondContact OE1-NZ 3.06Å; Y343-K346 PolarHBondContact O-N 3.08Å
347	Y	52.8	Low	57.5	Low	172 Å²	172	155.1 Å²	155.1	68%	0.675	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	62.2	-177.8	-51.9	-76.1	0	0	0	112	Y343 R345 P349	Y343-Y347 HydrophobicContact CD1-CE2 4.49Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.38Å; Y343-Y347 PolarHBondContact O-N 2.88Å; R345-Y347 VanDerWaalsContact C-N 3.34Å; Y347-P349 WeakPolarHBondContact O-CD 3.4Å
348	K	53.1	Low	58	Low	168 Å²	168	153.7 Å²	153.7	73%	0.73	73%	0.726	S	S	*	*			trans	-73.7	119.3	154.6	-79.2	-161	176.3	-176.6	0	107.2	V350	K348-V350 PolarHBondContact O-N 3.01Å
349	P	60.6	Low	59	Low	124 Å²	124	158.2 Å²	158.2	81%	0.805	74%	0.741	S	S	*	*			trans	-58.5	112	172.5	22.7	-30.3	0	0	0	107.1	Y347 S351	Y347-P349 WeakPolarHBondContact O-CD 3.4Å; P349-S351 VanDerWaalsContact C-N 3.29Å; P349-S351 PolarHBondContact O-N 3Å
350	V	58.7	Low	59.8	Low	126 Å²	126	166.4 Å²	166.4	76%	0.764	75%	0.75	S	S	*	*			trans	-61.2	103.7	165.6	176.6	0	0	0	0	104.2	K348 R352	K348-V350 PolarHBondContact O-N 3.01Å; V350-R352 PolarHBondContact O-N 2.9Å
351	S	63.6	Low	60.5	Low	110 Å²	110	164 Å²	164	77%	0.769	75%	0.746	S	S	*	*			trans	-61.2	92.6	171.2	49.2	0	0	0	0	106.5	P349 R353	P349-S351 VanDerWaalsContact C-N 3.29Å; P349-S351 PolarHBondContact O-N 3Å; S351-R353 VanDerWaalsContact C-N 3.35Å; S351-R353 PolarHBondContact O-N 2.95Å
352	R	61.2	Low	61	Low	229 Å²	229	166.6 Å²	166.6	86%	0.864	77%	0.765	S	S	*	*			trans	-59.9	106.7	171.2	-72.2	-177.3	-179.9	171.9	0.7	104.6	V350 K354	V350-R352 PolarHBondContact O-N 2.9Å; R352-K354 PolarHBondContact O-N 3.3Å
353	R	66.2	Low	61.4	Low	241 Å²	241	168.2 Å²	168.2	91%	0.909	77%	0.772	S	S	*	*			trans	-48.3	112.3	166	-99.6	-177.2	172.6	-179.2	-0.9	105.3	S351 K355	S351-R353 VanDerWaalsContact C-N 3.35Å; S351-R353 PolarHBondContact O-N 2.95Å; R353-K355 PolarHBondContact O-N 3.17Å
354	K	68.3	Low	61.8	Low	198 Å²	198	169.4 Å²	169.4	86%	0.861	78%	0.781	S	S	*	*			trans	-52.4	114.6	170.5	-71.9	-168.7	177.4	-176.5	0	105.3	R352 K356	R352-K354 PolarHBondContact O-N 3.3Å; K354-K356 PolarHBondContact O-N 2.91Å
355	K	67.3	Low	62	Low	197 Å²	197	171.1 Å²	171.1	86%	0.857	79%	0.787	S	S	*	*			trans	-57.5	110.7	174.2	-76.5	-176.8	178.1	177.3	0	105.1	R353 N357	R353-K355 PolarHBondContact O-N 3.17Å; K355-N357 PolarHBondContact O-N 3.4Å; K355-N357 VanDerWaalsContact O-N 3.12Å
356	K	67.4	Low	62.3	Low	199 Å²	199	171.2 Å²	171.2	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.2	119.8	170.8	-77.1	-177.3	177.2	179.3	0	105.3	K354	K354-K356 PolarHBondContact O-N 2.91Å
357	N	69.3	Low	62.4	Low	146 Å²	146	171.6 Å²	171.6	78%	0.781	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-54	127.4	170.9	-72.1	-29.4	0	0	0	107.1	K355 K359	K355-N357 PolarHBondContact O-N 3.4Å; K355-N357 VanDerWaalsContact O-N 3.12Å; N357-K359 PolarHBondContact O-N 3.04Å; N357-K359 VanDerWaalsContact O-N 3.08Å
358	P	63.6	Low	62.4	Low	118 Å²	118	172.1 Å²	172.1	77%	0.766	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-54.9	124	173.6	22.1	-30.4	0	0	0	106.9	R360	P358-R360 PolarHBondContact O-N 3.16Å; P358-R360 VanDerWaalsContact O-N 3.07Å
359	K	66.7	Low	62.4	Low	192 Å²	192	172.4 Å²	172.4	84%	0.835	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-52.6	122.2	171.3	-70.5	-177.3	177.4	-177.6	0	105.8	N357 T361	N357-K359 PolarHBondContact O-N 3.04Å; N357-K359 VanDerWaalsContact O-N 3.08Å; K359-T361 VanDerWaalsContact C-N 3.34Å; K359-T361 PolarHBondContact O-N 3.16Å
360	R	62.5	Low	61.9	Low	241 Å²	241	171.3 Å²	171.3	91%	0.909	81%	0.809	S	S	*	*			trans	-55.9	103	172.8	-76.1	175.9	83.2	-175.6	6.4	106.7	P358 T362	P358-R360 PolarHBondContact O-N 3.16Å; P358-R360 VanDerWaalsContact O-N 3.07Å; R360-T362 PolarHBondContact O-N 3.45Å; R360-T362 VanDerWaalsContact O-N 3.15Å
361	T	63.4	Low	61.6	Low	101 Å²	101	172.7 Å²	172.7	62%	0.62	81%	0.812	S	S	*	*			trans	-73.6	104.2	169	44.1	0	0	0	0	106	K359 H363	K359-T361 VanDerWaalsContact C-N 3.34Å; K359-T361 PolarHBondContact O-N 3.16Å; T361-H363 PolarHBondContact O-N 3.18Å
362	T	63	Low	60.9	Low	130 Å²	130	170.4 Å²	170.4	80%	0.798	80%	0.799	S	S	*	*			trans	-66.7	90.5	163.5	39.6	0	0	0	0	107.1	R360 K364	R360-T362 PolarHBondContact O-N 3.45Å; R360-T362 VanDerWaalsContact O-N 3.15Å; T362-K364 VanDerWaalsContact C-N 3.31Å; T362-K364 PolarHBondContact O-N 3.39Å
363	H	60.3	Low	60.6	Low	153 Å²	153	167 Å²	167	71%	0.708	80%	0.799	S	S	*	*			trans	-66.5	98.6	166.2	-66.8	-36	0	0	0	107.1	T361 R365	T361-H363 PolarHBondContact O-N 3.18Å; H363-R365 VanDerWaalsContact C-N 3.33Å; H363-R365 PolarHBondContact O-N 2.85Å
364	K	59.2	Low	59.9	Low	199 Å²	199	161.7 Å²	161.7	87%	0.865	79%	0.788	S	S	*	*			trans	-58	105.5	159.1	-77.3	-174.3	177.1	-178	0	105.7	T362 K366	T362-K364 VanDerWaalsContact C-N 3.31Å; T362-K364 PolarHBondContact O-N 3.39Å; K364-K366 PolarHBondContact O-N 3.18Å; K364-K366 VanDerWaalsContact O-N 3.08Å
365	R	58.6	Low	58.8	Low	225 Å²	225	159.7 Å²	159.7	85%	0.849	79%	0.787	S	S	*	*			trans	-54	117.1	168.6	-77.5	179.9	160.9	-179.6	-6	106.3	H363 N367	H363-R365 VanDerWaalsContact C-N 3.33Å; H363-R365 PolarHBondContact O-N 2.85Å; R365-N367 PolarHBondContact O-N 2.94Å
366	K	62.1	Low	58.2	Low	191 Å²	191	156 Å²	156	83%	0.83	78%	0.78	S	S	*	*			trans	-68.7	111.9	161.8	-69.7	-175.6	177.9	-177.4	0	104.4	K364 H368	K364-K366 PolarHBondContact O-N 3.18Å; K364-K366 VanDerWaalsContact O-N 3.08Å; K366-H368 PolarHBondContact O-N 3.04Å; K366-H368 VanDerWaalsContact O-N 3.15Å
367	N	62.8	Low	57.4	Low	143 Å²	143	150.8 Å²	150.8	77%	0.765	77%	0.769	S	S	*	*			trans	-58.1	121.4	169	-67.1	-28.1	0	0	0	105.8	R365 E369	R365-N367 PolarHBondContact O-N 2.94Å; N367-E369 VanDerWaalsContact C-N 3.28Å; N367-E369 PolarHBondContact O-N 2.96Å
368	H	53.1	Low	56.5	Low	184 Å²	184	152.9 Å²	152.9	85%	0.852	78%	0.775	S	S	*	*			trans	-66.8	101.3	163.8	-80.1	-80.1	0	0	0	105.1	K366 S370	K366-H368 PolarHBondContact O-N 3.04Å; K366-H368 VanDerWaalsContact O-N 3.15Å; H368-S370 VanDerWaalsContact C-N 3.27Å; H368-S370 PolarHBondContact O-N 2.83Å
369	E	51.9	Low	55.7	Low	174 Å²	174	158 Å²	158	81%	0.813	78%	0.778	S	S	*	*			trans	-57.6	103	158.5	-79.3	161.3	173.5	0	0	104.9	N367 D371	N367-E369 VanDerWaalsContact C-N 3.28Å; N367-E369 PolarHBondContact O-N 2.96Å; E369-D371 PolarHBondContact O-N 2.97Å
370	S	51.7	Low	54.8	Low	101 Å²	101	160.3 Å²	160.3	71%	0.706	78%	0.782	S	S	*	*			trans	-63	116.5	165.6	46.5	0	0	0	0	106	H368 A372	H368-S370 VanDerWaalsContact C-N 3.27Å; H368-S370 PolarHBondContact O-N 2.83Å; S370-A372 PolarHBondContact O-N 3.4Å
371	D	51.7	Low	54.4	Low	154 Å²	154	157.4 Å²	157.4	82%	0.824	78%	0.778	S	S	*	*			trans	-61.7	72.6	164.7	-64.2	-40.4	0	0	0	108.1	E369 D373	E369-D371 PolarHBondContact O-N 2.97Å; D371-D373 PolarHBondContact O-N 3Å
372	A	48.6	Very low	53.9	Low	62 Å²	62	157.4 Å²	157.4	51%	0.512	78%	0.782	S	S	.	*			trans	-82.3	100.1	162	0	0	0	0	0	104.7	S370 D374	S370-A372 PolarHBondContact O-N 3.4Å; A372-D374 PolarHBondContact O-N 3.41Å
373	D	54.5	Low	53.3	Low	158 Å²	158	160.1 Å²	160.1	85%	0.845	78%	0.783	S	S	*	*			trans	-61.1	73.1	164.1	-68.3	-49.5	0	0	0	108.6	D371 D375	D371-D373 PolarHBondContact O-N 3Å; D373-D375 PolarHBondContact O-N 2.85Å
374	D	51	Low	53.2	Low	130 Å²	130	162.1 Å²	162.1	70%	0.695	79%	0.79	S	S	*	*			trans	-73.1	98.4	172.1	-80.5	-21.6	0	0	0	107.2	A372 V376	A372-D374 PolarHBondContact O-N 3.41Å; D374-V376 HydrophobicContact CB-CG2 4.15Å; D374-V376 PolarHBondContact O-N 2.88Å
375	D	46.3	Very low	52.9	Low	156 Å²	156	160.3 Å²	160.3	83%	0.834	78%	0.784	S	S	*	*			trans	-59.5	72.5	169.6	-171.9	10.3	0	0	0	110.6	D373 S377	D373-D375 PolarHBondContact O-N 2.85Å; D375-S377 PolarHBondContact O-N 3.11Å
376	V	54.3	Low	52.5	Low	118 Å²	118	154.6 Å²	154.6	72%	0.715	78%	0.779	S	S	*	*			trans	-90.1	83.7	174.5	-172.9	0	0	0	0	107.9	D374 Q378	D374-V376 HydrophobicContact CB-CG2 4.15Å; D374-V376 PolarHBondContact O-N 2.88Å; V376-Q378 PolarHBondContact O-N 2.93Å
377	S	50.9	Low	52.1	Low	91 Å²	91	151.6 Å²	151.6	64%	0.636	77%	0.772	S	S	*	*			trans	-17.5	126.5	157.3	49.4	0	0	0	0	113.8	D375 R379	D375-S377 PolarHBondContact O-N 3.11Å; S377-R379 VanDerWaalsContact C-N 3.32Å; S377-R379 PolarHBondContact O-N 2.79Å
378	Q	51.2	Low	51.6	Low	190 Å²	190	153.9 Å²	153.9	89%	0.888	78%	0.775	S	S	*	*			trans	-57.9	85.9	-176.9	-63.8	-155.5	-12.9	0	0	112.7	V376 R380	V376-Q378 PolarHBondContact O-N 2.93Å; Q378-R380 PolarHBondContact O-N 2.97Å
379	R	46.1	Very low	51.7	Low	224 Å²	224	153.9 Å²	153.9	85%	0.845	77%	0.769	S	S	*	*			trans	-77.2	94.8	170.6	-141.6	174.4	-172.9	-175.9	2.7	107.2	S377 H381	S377-R379 VanDerWaalsContact C-N 3.32Å; S377-R379 PolarHBondContact O-N 2.79Å; R379-H381 PolarHBondContact O-N 3.04Å
380	R	47.1	Very low	51.9	Low	241 Å²	241	154.5 Å²	154.5	91%	0.909	77%	0.769	S	S	*	*			trans	-45.8	105.8	173.9	-66.6	178.2	177.1	-179.9	-1.3	109.5	Q378 S382	Q378-R380 PolarHBondContact O-N 2.97Å; R380-S382 PolarHBondContact O-N 3.26Å; R380-S382 VanDerWaalsContact O-N 3.15Å
381	H	55.2	Low	52.1	Low	181 Å²	181	159.7 Å²	159.7	84%	0.838	77%	0.774	S	S	*	*			trans	-70	109.9	171.7	-67	-71	0	0	0	108.3	R379 K383	R379-H381 PolarHBondContact O-N 3.04Å; H381-K383 PolarHBondContact O-N 2.78Å; H381-K383 VanDerWaalsContact O-N 3.16Å
382	S	52.9	Low	52.5	Low	100 Å²	100	158.9 Å²	158.9	70%	0.699	77%	0.77	S	S	*	*			trans	-58.5	115.8	164.4	56.4	0	0	0	0	108.2	R380 K384	R380-S382 PolarHBondContact O-N 3.26Å; R380-S382 VanDerWaalsContact O-N 3.15Å; S382-K384 PolarHBondContact O-N 3.39Å
383	K	50.8	Low	52.4	Low	187 Å²	187	161.3 Å²	161.3	81%	0.813	78%	0.783	S	S	*	*			trans	-55.7	109.9	169.8	-89.7	172.1	175.3	166.2	0	108.4	H381 H385	H381-K383 PolarHBondContact O-N 2.78Å; H381-K383 VanDerWaalsContact O-N 3.16Å; K383-H385 PolarHBondContact O-N 2.97Å
384	K	57.7	Low	52.5	Low	196 Å²	196	160.6 Å²	160.6	85%	0.852	78%	0.779	S	S	*	*			trans	-75	105.6	166.1	-67.6	-173.3	178.6	-178	0	106.9	S382 S386	S382-K384 PolarHBondContact O-N 3.39Å; K384-S386 PolarHBondContact O-N 2.98Å; K384-S386 VanDerWaalsContact O-N 3.14Å
385	H	53.3	Low	52.5	Low	160 Å²	160	159.6 Å²	159.6	74%	0.741	78%	0.783	S	S	*	*			trans	-66.7	106.5	165.5	-66.5	-81.8	0	0	0	107.2	K383 N387	K383-H385 PolarHBondContact O-N 2.97Å; H385-N387 PolarHBondContact O-N 3.47Å
386	S	49.3	Very low	53	Low	106 Å²	106	161 Å²	161	74%	0.741	78%	0.784	S	S	*	*			trans	-78.1	109.5	168.4	71.4	0	0	0	0	108	K384 K388	K384-S386 PolarHBondContact O-N 2.98Å; K384-S386 VanDerWaalsContact O-N 3.14Å; S386-K388 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 3.18Å
387	N	54	Low	52.9	Low	128 Å²	128	164 Å²	164	68%	0.684	79%	0.787	S	S	*	*			trans	-66.2	96.2	165	-71.3	-13.5	0	0	0	107.4	H385 Y389	H385-N387 PolarHBondContact O-N 3.47Å; N387-Y389 HydrophobicContact CB-CD2 4.46Å; N387-Y389 HydrophobicContact CB-CE2 4.1Å; N387-Y389 PolarHBondContact O-N 3.01Å; N387-Y389 VanDerWaalsContact O-N 3.16Å
388	K	51.2	Low	53.2	Low	191 Å²	191	167.1 Å²	167.1	83%	0.83	80%	0.797	S	S	*	*			trans	-79.8	93.6	171.3	-152	175.6	-171.4	179	0	106.3	S386 K390	S386-K388 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 3.18Å; K388-K390 PolarHBondContact O-N 3.06Å
389	Y	55.8	Low	53.5	Low	183 Å²	183	165.3 Å²	165.3	72%	0.718	79%	0.793	S	S	*	*			trans	-60	119.5	169.7	-74.9	-88.1	0	0	0	107.8	N387 Y391	N387-Y389 HydrophobicContact CB-CD2 4.46Å; N387-Y389 HydrophobicContact CB-CE2 4.1Å; N387-Y389 PolarHBondContact O-N 3.01Å; N387-Y389 VanDerWaalsContact O-N 3.16Å; Y389-Y391 PolarHBondContact O-N 2.85Å
390	K	55.8	Low	53.5	Low	187 Å²	187	157.3 Å²	157.3	81%	0.813	78%	0.781	S	S	*	*			trans	-74.5	117.9	164.3	-67.2	-171.7	178.5	-176.7	0	105.6	K388 D392	K388-K390 PolarHBondContact O-N 3.06Å; K390-D392 PolarHBondContact O-N 3.19Å
391	Y	56.2	Low	53.6	Low	210 Å²	210	153.1 Å²	153.1	82%	0.824	78%	0.776	S	S	*	*			trans	-76.6	110.7	162.8	-75.5	-89.5	0	0	0	105.6	Y389 S393	Y389-Y391 PolarHBondContact O-N 2.85Å; Y391-S393 VanDerWaalsContact C-N 3.26Å; Y391-S393 PolarHBondContact O-N 3.21Å
392	D	59.7	Low	53.7	Low	138 Å²	138	150.7 Å²	150.7	74%	0.738	77%	0.77	S	S	*	*			trans	-69.1	96.9	160.7	-63.5	-39.2	0	0	0	104.9	K390 D394	K390-D392 PolarHBondContact O-N 3.19Å; D392-D394 PolarHBondContact O-N 3.49Å
393	S	47.3	Very low	53.9	Low	112 Å²	112	154.1 Å²	154.1	78%	0.783	78%	0.78	S	S	*	*			trans	-71.5	94.4	166.4	-78.5	0	0	0	0	106.1	Y391 S395	Y391-S393 VanDerWaalsContact C-N 3.26Å; Y391-S393 PolarHBondContact O-N 3.21Å; S393-S395 VanDerWaalsContact C-N 3.28Å; S393-S395 PolarHBondContact O-N 3.14Å
394	D	57.4	Low	53.8	Low	144 Å²	144	150.9 Å²	150.9	77%	0.77	78%	0.776	S	S	*	*			trans	-55.3	98.3	162.7	-67.2	-38.1	0	0	0	106.9	D392 E396	D392-D394 PolarHBondContact O-N 3.49Å; D394-E396 PolarHBondContact O-N 3.01Å
395	S	49.9	Very low	53.1	Low	109 Å²	109	146.6 Å²	146.6	76%	0.762	77%	0.771	S	S	*	*			trans	-66.9	94.4	167	60.4	0	0	0	0	106	S393 K397	S393-S395 VanDerWaalsContact C-N 3.28Å; S393-S395 PolarHBondContact O-N 3.14Å; S395-K397 PolarHBondContact O-N 3.1Å; S395-K397 VanDerWaalsContact O-N 3.16Å
396	E	57.8	Low	52.5	Low	184 Å²	184	152.1 Å²	152.1	86%	0.86	80%	0.797	S	S	*	*			trans	-50.8	120.2	166	-70.6	177.1	169.3	0	0	107.4	D394 D398	D394-E396 PolarHBondContact O-N 3.01Å; E396-D398 PolarHBondContact O-N 3.04Å; E396-D398 VanDerWaalsContact O-N 3.16Å
397	K	51.4	Low	52.6	Low	181 Å²	181	154.5 Å²	154.5	79%	0.787	80%	0.8	S	S	*	*			trans	-63.2	114.2	171	-71.2	176.3	178.1	176.5	0	106.4	S395 D399	S395-K397 PolarHBondContact O-N 3.1Å; S395-K397 VanDerWaalsContact O-N 3.16Å; K397-D399 VanDerWaalsContact C-N 3.29Å; K397-D399 PolarHBondContact O-N 3.26Å
398	D	57.4	Low	52.6	Low	157 Å²	157	155.8 Å²	155.8	84%	0.84	81%	0.806	S	S	*	*			trans	-73.7	90.1	167.8	-164.5	5.9	0	0	0	107.2	E396 G400	E396-D398 PolarHBondContact O-N 3.04Å; E396-D398 VanDerWaalsContact O-N 3.16Å; D398-G400 PolarHBondContact O-N 3.46Å
399	D	56.7	Low	52.6	Low	152 Å²	152	153.9 Å²	153.9	81%	0.813	81%	0.805	S	S	*	*			trans	-76.6	63.1	172.7	-70.3	-32.7	0	0	0	108.9	K397	K397-D399 VanDerWaalsContact C-N 3.29Å; K397-D399 PolarHBondContact O-N 3.26Å
400	G	47.2	Very low	52.5	Low	56 Å²	56	152.2 Å²	152.2	58%	0.577	81%	0.81	S	S	*	*			trans	-113	69	175.4	0	0	0	0	0	110.6	D398	D398-G400 PolarHBondContact O-N 3.46Å
401	N	48.9	Very low	52.2	Low	153 Å²	153	150 Å²	150	82%	0.818	81%	0.809	S	S	*	*			trans	-94.8	105.9	163	-167.3	36.5	0	0	0	108.2	D403	N401-D403 PolarHBondContact O-N 3.11Å
402	D	56.4	Low	52	Low	131 Å²	131	146 Å²	146	70%	0.701	81%	0.809	S	S	*	*			trans	-54.3	117.8	173.8	-71.2	-44.8	0	0	0	110.4	T404	D402-T404 PolarHBondContact O-N 3.07Å; D402-T404 PolarHBondContact O-OG1 2.98Å
403	D	57.9	Low	51.4	Low	172 Å²	172	146.6 Å²	146.6	92%	0.92	81%	0.814	S	S	*	*			trans	-60	90.6	163.4	-85.9	-32.7	0	0	0	108.5	N401 S405	N401-D403 PolarHBondContact O-N 3.11Å; D403-S405 PolarHBondContact O-N 3.29Å
404	T	49.2	Very low	51.7	Low	118 Å²	118	149.2 Å²	149.2	72%	0.724	82%	0.816	S	S	*	*			trans	-78.2	96.5	171.5	25.1	0	0	0	0	108	D402 Q406	D402-T404 PolarHBondContact O-N 3.07Å; D402-T404 PolarHBondContact O-OG1 2.98Å; T404-Q406 PolarHBondContact O-N 3.29Å
405	S	41.6	Very low	51.3	Low	106 Å²	106	149.7 Å²	149.7	74%	0.741	82%	0.82	S	S	*	*			trans	21	102.1	140.4	58.8	0	0	0	0	117.2	D403	D403-S405 PolarHBondContact O-N 3.29Å
406	Q	40.9	Very low	51.4	Low	277 Å²	277	153.4 Å²	153.4	100%	1.294	83%	0.825	S	S	*	*			trans	-158.9	0	134.2	-111.2	-176.1	2.9	0	0	111.7	T404	T404-Q406 PolarHBondContact O-N 3.29Å

Retrieved 406 of 406 residues in 368.6 ms (Link to these results)

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