A0A5K4FEB0_SCHMA Loading...

GatA-binding transcription factor

AlphaFold DB , UniProt , Accession A0A5K4FEB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 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	39.2	Very low	34.9	Very low	238 Å²	238	177.3 Å²	177.3	100%	1.172	83%	0.833	S	S	*	*				0	103.8	0	-67.7	-151.8	-104.6	0	0	107.9
2	H	35.9	Very low	35.2	Very low	193 Å²	193	174.8 Å²	174.8	89%	0.894	83%	0.829	S	S	*	*			trans	-88.1	115.7	178.4	-86.5	-62	0	0	0	109.1	E4	H2-E4 PolarHBondContact O-N 3.39Å; H2-E4 VanDerWaalsContact O-N 3.17Å
3	N	34.2	Very low	35.2	Very low	154 Å²	154	171.5 Å²	171.5	82%	0.824	82%	0.819	S	S	*	*			trans	-73.3	99.7	172.8	-83.1	-18.4	0	0	0	109.4	R5	N3-R5 PolarHBondContact O-N 3.18Å
4	E	35.8	Very low	35.5	Very low	160 Å²	160	167.3 Å²	167.3	75%	0.748	82%	0.817	S	S	*	*			trans	-69.1	91.4	167.9	-73.4	-173.3	168.4	0	0	109.9	H2 R6	H2-E4 PolarHBondContact O-N 3.39Å; H2-E4 VanDerWaalsContact O-N 3.17Å; E4-R6 PolarHBondContact O-N 3.24Å
5	R	34.4	Very low	35.5	Very low	239 Å²	239	165.3 Å²	165.3	90%	0.902	81%	0.811	S	S	*	*			trans	-69.4	95.8	164	-81.8	-179.4	161.8	178.7	-5.1	108.5	N3 S7	N3-R5 PolarHBondContact O-N 3.18Å; R5-S7 PolarHBondContact O-N 3.13Å
6	R	32.4	Very low	35.5	Very low	202 Å²	202	163 Å²	163	76%	0.762	80%	0.803	S	S	*	*			trans	-65.1	99.9	169.6	-68.6	-175.9	-179.3	-145.1	-1.2	109	E4 F8	E4-R6 PolarHBondContact O-N 3.24Å; R6-F8 PolarHBondContact O-N 3.2Å; R6-F8 VanDerWaalsContact O-N 3.09Å
7	S	32.4	Very low	35.5	Very low	99 Å²	99	159.4 Å²	159.4	69%	0.692	80%	0.797	S	S	*	*			trans	-68.8	97.7	171.3	169.8	0	0	0	0	109	R5 R9	R5-S7 PolarHBondContact O-N 3.13Å; S7-R9 PolarHBondContact O-N 3.43Å
8	F	34	Very low	35.4	Very low	196 Å²	196	157.2 Å²	157.2	86%	0.86	79%	0.789	S	S	*	*			trans	-64.8	98.4	163.6	-76.2	-89.1	0	0	0	108.4	R6 S10	R6-F8 PolarHBondContact O-N 3.2Å; R6-F8 VanDerWaalsContact O-N 3.09Å; F8-S10 PolarHBondContact O-N 3.11Å
9	R	31.9	Very low	35.1	Very low	223 Å²	223	155.2 Å²	155.2	84%	0.842	79%	0.785	S	S	*	*			trans	-74.7	104.3	163.1	-73.2	-174.3	170.8	-166.8	-2.6	106.7	S7 N11	S7-R9 PolarHBondContact O-N 3.43Å; R9-N11 PolarHBondContact O-N 3.31Å; R9-N11 VanDerWaalsContact O-N 3.1Å
10	S	39.5	Very low	34.8	Very low	96 Å²	96	155.1 Å²	155.1	67%	0.671	79%	0.785	S	S	*	*			trans	-64.2	106.3	162.5	41.5	0	0	0	0	107.4	F8 L12	F8-S10 PolarHBondContact O-N 3.11Å; S10-L12 PolarHBondContact O-N 3Å
11	N	34.1	Very low	34.4	Very low	150 Å²	150	158 Å²	158	80%	0.802	79%	0.787	S	S	*	*			trans	-65.4	76.6	160.7	-86.2	-14	0	0	0	107.4	R9 D13	R9-N11 PolarHBondContact O-N 3.31Å; R9-N11 VanDerWaalsContact O-N 3.1Å; N11-D13 PolarHBondContact O-N 3.08Å
12	L	38.7	Very low	33.9	Very low	148 Å²	148	152.9 Å²	152.9	78%	0.775	77%	0.769	S	S	*	*			trans	-83.2	93.9	159.7	-82.2	162.5	0	0	0	105.2	S10 S14	S10-L12 PolarHBondContact O-N 3Å; L12-S14 PolarHBondContact O-N 3.2Å
13	D	35.8	Very low	33.6	Very low	131 Å²	131	149.5 Å²	149.5	70%	0.701	76%	0.761	S	S	*	*			trans	-49.2	110.8	170.9	-84.8	-41.9	0	0	0	109.1	N11 N15	N11-D13 PolarHBondContact O-N 3.08Å; D13-N15 PolarHBondContact O-N 3.16Å
14	S	38.7	Very low	33.3	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	25	-176.9	51.8	0	0	0	0	113.8	L12	L12-S14 PolarHBondContact O-N 3.2Å
15	N	36.1	Very low	32.9	Very low	138 Å²	138	144.6 Å²	144.6	74%	0.738	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-6	-174.2	-78.4	-15.2	0	0	0	114.9	D13 S17	D13-N15 PolarHBondContact O-N 3.16Å; N15-S17 VanDerWaalsContact C-N 3.32Å; N15-S17 PolarHBondContact O-N 3Å
16	L	35.3	Very low	32.8	Very low	128 Å²	128	142.5 Å²	142.5	67%	0.67	76%	0.758	S	S	*	*			trans	-93.2	70.8	165.8	-76.7	100.8	0	0	0	110	D18	L16-D18 WeakPolarHBondContact CD2-OD2 3.31Å; L16-D18 PolarHBondContact O-N 3Å
17	S	34.6	Very low	32.9	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	76%	0.763	S	S	*	*			trans	-70.1	70.2	152.7	58.1	0	0	0	0	108	N15 T19	N15-S17 VanDerWaalsContact C-N 3.32Å; N15-S17 PolarHBondContact O-N 3Å; S17-T19 VanDerWaalsContact C-N 3.3Å; S17-T19 PolarHBondContact O-N 3.32Å
18	D	35.3	Very low	33	Very low	120 Å²	120	144.1 Å²	144.1	64%	0.642	77%	0.768	S	S	*	*			trans	-66.8	94.5	173.4	-77.9	-26.3	0	0	0	108	L16 I20	L16-D18 WeakPolarHBondContact CD2-OD2 3.31Å; L16-D18 PolarHBondContact O-N 3Å; D18-I20 PolarHBondContact O-N 3.37Å
19	T	28.6	Very low	33.1	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	77%	0.768	S	S	*	*			trans	-62.5	97.3	168.1	43	0	0	0	0	108.5	S17 R21	S17-T19 VanDerWaalsContact C-N 3.3Å; S17-T19 PolarHBondContact O-N 3.32Å; T19-R21 PolarHBondContact O-N 3.14Å
20	I	29.7	Very low	33.3	Very low	153 Å²	153	139.9 Å²	139.9	79%	0.785	77%	0.765	S	S	*	*			trans	-60	103.2	170.8	-60.3	169.8	0	0	0	107.9	D18 V22	D18-I20 PolarHBondContact O-N 3.37Å; I20-V22 HydrophobicContact CG2-CG2 4.37Å; I20-V22 PolarHBondContact O-N 3.19Å
21	R	25.7	Very low	33.1	Very low	218 Å²	218	143.4 Å²	143.4	82%	0.823	78%	0.776	S	S	*	*			trans	-78.6	103.7	169.5	-72.4	-173.5	-175.6	-139.9	2.7	107.9	T19 V23	T19-R21 PolarHBondContact O-N 3.14Å; R21-V23 PolarHBondContact O-N 3.02Å
22	V	29.3	Very low	32.9	Very low	130 Å²	130	144.3 Å²	144.3	79%	0.788	78%	0.775	S	S	*	*			trans	-70.5	96.4	169.7	-177	0	0	0	0	107.9	I20 A24	I20-V22 HydrophobicContact CG2-CG2 4.37Å; I20-V22 PolarHBondContact O-N 3.19Å; V22-A24 PolarHBondContact O-N 3.05Å
23	V	29.5	Very low	32.9	Very low	121 Å²	121	143.4 Å²	143.4	73%	0.733	77%	0.77	S	S	*	*			trans	-78.2	105.9	167.3	-174	0	0	0	0	106.1	R21 C25	R21-V23 PolarHBondContact O-N 3.02Å; V23-C25 PolarHBondContact O-N 3.42Å
24	A	27.5	Very low	32.5	Very low	89 Å²	89	143 Å²	143	74%	0.736	77%	0.772	S	S	*	*			trans	-59.3	112.7	174.6	0	0	0	0	0	108.9	V22 K26	V22-A24 PolarHBondContact O-N 3.05Å; A24-K26 PolarHBondContact O-N 3.38Å
25	C	27.5	Very low	32.3	Very low	122 Å²	122	145.6 Å²	145.6	82%	0.824	77%	0.769	S	S	*	*			trans	-56.9	124.9	174.3	-58.1	0	0	0	0	108.6	V23 Q27	V23-C25 PolarHBondContact O-N 3.42Å; C25-Q27 PolarHBondContact O-N 3.21Å; C25-Q27 VanDerWaalsContact O-N 3.11Å
26	K	31.9	Very low	32	Very low	195 Å²	195	142.6 Å²	142.6	85%	0.848	76%	0.764	S	S	*	*			trans	-54.9	119.7	162.8	-107.5	178.9	173.3	-179.3	0	106.5	A24 N28	A24-K26 PolarHBondContact O-N 3.38Å; K26-N28 VanDerWaalsContact C-N 3.35Å; K26-N28 PolarHBondContact O-N 3Å
27	Q	35.6	Very low	32	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	77%	0.768	S	S	*	*			trans	-57.4	101.4	170.9	-170.3	170.1	3.6	0	0	106.7	C25 Q29	C25-Q27 PolarHBondContact O-N 3.21Å; C25-Q27 VanDerWaalsContact O-N 3.11Å; Q27-Q29 PolarHBondContact O-N 3.17Å
28	N	34.8	Very low	32	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	77%	0.769	S	S	*	*			trans	-59.7	130.3	175.6	-83.7	-26.1	0	0	0	107.2	K26	K26-N28 VanDerWaalsContact C-N 3.35Å; K26-N28 PolarHBondContact O-N 3Å
29	Q	34.7	Very low	32.1	Very low	185 Å²	185	149.5 Å²	149.5	86%	0.864	78%	0.779	S	S	*	*			trans	-50.4	142.5	-178.2	-69.8	172.4	-22.9	0	0	110.3	Q27 L31	Q27-Q29 PolarHBondContact O-N 3.17Å; Q29-L31 PolarHBondContact O-N 2.79Å
30	D	36.4	Very low	32.3	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	78%	0.78	S	S	*	*			trans	-36.7	119.2	-178.4	-58.4	-52.9	0	0	0	111.9	Q32	D30-Q32 VanDerWaalsContact C-N 3.27Å; D30-Q32 PolarHBondContact O-N 3.11Å
31	L	35.3	Very low	32.5	Very low	169 Å²	169	146.1 Å²	146.1	89%	0.885	78%	0.778	S	S	*	*			trans	-61	94.3	167	-79.6	158.7	0	0	0	107.4	Q29 I33	Q29-L31 PolarHBondContact O-N 2.79Å; L31-I33 PolarHBondContact O-N 3.37Å; L31-I33 VanDerWaalsContact O-N 3.09Å
32	Q	30.7	Very low	33	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.794	77%	0.772	S	S	*	*			trans	-71	100	168.4	-76.3	-174.2	-2.9	0	0	107.6	D30 T34	D30-Q32 VanDerWaalsContact C-N 3.27Å; D30-Q32 PolarHBondContact O-N 3.11Å; Q32-T34 PolarHBondContact O-N 2.87Å
33	I	37.1	Very low	33.3	Very low	129 Å²	129	141.8 Å²	141.8	66%	0.662	78%	0.775	S	S	*	*			trans	-78.1	98.2	166	-58.4	171	0	0	0	106	L31 F35	L31-I33 PolarHBondContact O-N 3.37Å; L31-I33 VanDerWaalsContact O-N 3.09Å; I33-F35 HydrophobicContact CG2-CD2 4.4Å; I33-F35 HydrophobicContact CG2-CE1 4.28Å; I33-F35 HydrophobicContact CG2-CE2 3.9Å; I33-F35 HydrophobicContact CG2-CZ 3.83Å; I33-F35 PolarHBondContact O-N 2.96Å
34	T	28.1	Very low	33.5	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	78%	0.78	S	S	*	*			trans	-82.3	112.2	174.1	-32.4	0	0	0	0	108.1	Q32 A36	Q32-T34 PolarHBondContact O-N 2.87Å; T34-A36 PolarHBondContact O-N 3.11Å
35	F	33.8	Very low	33.9	Very low	167 Å²	167	148.1 Å²	148.1	73%	0.732	78%	0.782	S	S	*	*			trans	-78.6	110.2	170.4	-64.7	-86.3	0	0	0	108.3	I33 N37	I33-F35 HydrophobicContact CG2-CD2 4.4Å; I33-F35 HydrophobicContact CG2-CE1 4.28Å; I33-F35 HydrophobicContact CG2-CE2 3.9Å; I33-F35 HydrophobicContact CG2-CZ 3.83Å; I33-F35 PolarHBondContact O-N 2.96Å; F35-N37 VanDerWaalsContact C-N 3.34Å; F35-N37 PolarHBondContact O-N 2.95Å
36	A	31.4	Very low	34.3	Very low	76 Å²	76	153.5 Å²	153.5	63%	0.628	79%	0.785	S	S	*	*			trans	-69.3	95.7	165.4	0	0	0	0	0	107.9	T34 D38	T34-A36 PolarHBondContact O-N 3.11Å; A36-D38 PolarHBondContact O-N 3.46Å
37	N	33.6	Very low	34.5	Very low	140 Å²	140	150 Å²	150	75%	0.749	78%	0.782	S	S	*	*			trans	-76.1	78.5	165.2	-88.6	-19.1	0	0	0	107.6	F35 Y39 A40	F35-N37 VanDerWaalsContact C-N 3.34Å; F35-N37 PolarHBondContact O-N 2.95Å; N37-Y39 PolarHBondContact O-N 3.25Å; N37-A40 PolarHBondContact O-N 3.04Å
38	D	35.3	Very low	34.5	Very low	138 Å²	138	148 Å²	148	74%	0.738	78%	0.783	S	S	*	*			trans	-71	8.5	177.8	-71.5	-20.7	0	0	0	113.5	A36	A36-D38 PolarHBondContact O-N 3.46Å
39	Y	38.2	Very low	34.3	Very low	216 Å²	216	144.2 Å²	144.2	85%	0.847	78%	0.778	S	S	*	*			trans	-115.5	62.5	167.6	-58.1	-76	0	0	0	109.8	N37 C41	N37-Y39 PolarHBondContact O-N 3.25Å; Y39-C41 PolarHBondContact O-N 2.99Å; Y39-C41 VanDerWaalsContact O-N 3.13Å
40	A	33	Very low	34.1	Very low	90 Å²	90	140 Å²	140	74%	0.744	77%	0.77	S	S	*	*			trans	-54.4	117.6	154	0	0	0	0	0	107	N37 S42	N37-A40 PolarHBondContact O-N 3.04Å; A40-S42 PolarHBondContact O-N 3.09Å
41	C	34	Very low	33.9	Very low	111 Å²	111	143 Å²	143	75%	0.75	78%	0.776	S	S	*	*			trans	-37.5	109.3	-178.1	-59.7	0	0	0	0	110.5	Y39 D43	Y39-C41 PolarHBondContact O-N 2.99Å; Y39-C41 VanDerWaalsContact O-N 3.13Å; C41-D43 PolarHBondContact O-N 3.26Å
42	S	35.9	Very low	33.6	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	76%	0.763	S	S	*	*			trans	-57.6	112.9	161.8	61.7	0	0	0	0	105.5	A40 R44	A40-S42 PolarHBondContact O-N 3.09Å; S42-R44 PolarHBondContact O-N 2.98Å
43	D	35.6	Very low	33.6	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	76%	0.758	S	S	*	*			trans	-63.3	58.2	176.9	-77.1	-41	0	0	0	111	C41 P45	C41-D43 PolarHBondContact O-N 3.26Å; D43-P45 WeakPolarHBondContact O-CD 3.47Å
44	R	32.8	Very low	33.1	Very low	223 Å²	223	140.6 Å²	140.6	84%	0.842	77%	0.766	S	S	*	*			trans	-77.1	112.6	166.1	-86.5	-172.4	173.2	-177.5	-0	106.7	S42 R46	S42-R44 PolarHBondContact O-N 2.98Å; R44-R46 PolarHBondContact O-N 2.76Å; R44-R46 VanDerWaalsContact O-N 3.13Å
45	P	36.2	Very low	33.1	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.5	122.4	179.4	21.8	-30.4	0	0	0	109	D43	D43-P45 WeakPolarHBondContact O-CD 3.47Å
46	R	34.9	Very low	32.9	Very low	234 Å²	234	136.7 Å²	136.7	88%	0.883	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-52.1	129.2	171.4	-112.1	178.4	177.7	-171.7	-0.5	108.1	R44 T48	R44-R46 PolarHBondContact O-N 2.76Å; R44-R46 VanDerWaalsContact O-N 3.13Å; R46-T48 PolarHBondContact O-N 3.47Å; R46-T48 VanDerWaalsContact O-N 3.09Å
47	P	36.4	Very low	32.8	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.1	172.3	-17.9	28.9	0	0	0	108	G49	P47-G49 PolarHBondContact O-N 2.8Å
48	T	36.6	Very low	32.4	Very low	144 Å²	144	134.5 Å²	134.5	88%	0.883	77%	0.771	S	S	*	*			trans	-66.1	72.8	169	25.6	0	0	0	0	108.6	R46 S50	R46-T48 PolarHBondContact O-N 3.47Å; R46-T48 VanDerWaalsContact O-N 3.09Å; T48-S50 PolarHBondContact O-N 2.94Å
49	G	29.8	Very low	32.1	Very low	68 Å²	68	134.2 Å²	134.2	70%	0.701	78%	0.78	S	S	*	*			trans	-60.7	115.8	167	0	0	0	0	0	108	P47 K51	P47-G49 PolarHBondContact O-N 2.8Å; G49-K51 PolarHBondContact O-N 3.1Å
50	S	31	Very low	31.5	Very low	98 Å²	98	127.2 Å²	127.2	69%	0.685	77%	0.774	S	S	*	*			trans	-47.8	134.2	-177.3	47.9	0	0	0	0	111.8	T48 I52	T48-S50 PolarHBondContact O-N 2.94Å; S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 2.94Å
51	K	31.4	Very low	31.3	Very low	208 Å²	208	131.2 Å²	131.2	90%	0.904	78%	0.781	S	S	*	*			trans	-58	93	166.2	-77.1	176	175.2	176	0	108.3	G49 A53	G49-K51 PolarHBondContact O-N 3.1Å; K51-A53 PolarHBondContact O-N 3.09Å
52	I	30.7	Very low	31	Very low	122 Å²	122	136.8 Å²	136.8	63%	0.626	79%	0.787	S	S	*	*			trans	-71.9	102.4	164.1	-60.7	176.5	0	0	0	105.2	S50 Y54	S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 2.94Å; I52-Y54 PolarHBondContact O-N 2.88Å; I52-Y54 VanDerWaalsContact O-N 3.12Å
53	A	28.9	Very low	30.7	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	79%	0.79	S	S	*	*			trans	-61.4	109.8	171.2	0	0	0	0	0	108	K51 S55	K51-A53 PolarHBondContact O-N 3.09Å; A53-S55 PolarHBondContact O-N 3.17Å
54	Y	28.5	Very low	30.7	Very low	213 Å²	213	137.9 Å²	137.9	84%	0.835	79%	0.79	S	S	*	*			trans	-72.4	99.7	166.7	-71.3	-82.6	0	0	0	107.6	I52 A56	I52-Y54 PolarHBondContact O-N 2.88Å; I52-Y54 VanDerWaalsContact O-N 3.12Å; Y54-A56 PolarHBondContact O-N 2.96Å
55	S	28.2	Very low	30.4	Very low	101 Å²	101	133.5 Å²	133.5	71%	0.706	78%	0.783	S	S	*	*			trans	-54.8	117.2	165.7	-42.2	0	0	0	0	108	A53 S57	A53-S55 PolarHBondContact O-N 3.17Å; S55-S57 PolarHBondContact O-N 2.82Å
56	A	27.6	Very low	30.1	Very low	106 Å²	106	132.3 Å²	132.3	88%	0.876	78%	0.784	S	S	*	*			trans	-67.7	80.6	172.5	0	0	0	0	0	109.5	Y54 G58	Y54-A56 PolarHBondContact O-N 2.96Å; A56-G58 PolarHBondContact O-N 3.34Å
57	S	31.1	Very low	30	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	78%	0.779	S	S	*	*			trans	-73.4	95.3	168.1	-51.8	0	0	0	0	107.5	S55	S55-S57 PolarHBondContact O-N 2.82Å
58	G	25.4	Very low	29.7	Very low	58 Å²	58	132.6 Å²	132.6	60%	0.598	78%	0.781	S	S	*	*			trans	-60.5	165	167.7	0	0	0	0	0	112	A56	A56-G58 PolarHBondContact O-N 3.34Å
59	S	27.6	Very low	29.3	Very low	132 Å²	132	134.2 Å²	134.2	92%	0.923	78%	0.781	S	S	*	*			trans	73.9	110.1	168.9	75.5	0	0	0	0	116.4
60	G	26.6	Very low	29.4	Very low	69 Å²	69	139.6 Å²	139.6	71%	0.711	79%	0.788	S	S	*	*			trans	164.3	56.5	171.4	0	0	0	0	0	112.4	R62	G60-R62 PolarHBondContact O-N 3.07Å
61	L	27.7	Very low	29.4	Very low	174 Å²	174	146.6 Å²	146.6	91%	0.911	80%	0.799	S	S	*	*			trans	-59.8	85.6	155.6	-79.3	162.2	0	0	0	106.8
62	R	28.2	Very low	29.2	Very low	229 Å²	229	145.1 Å²	145.1	86%	0.864	80%	0.795	S	S	*	*			trans	-95	107.2	163.1	-93	-173	170.9	-171.7	-1.8	105.9	G60 T64	G60-R62 PolarHBondContact O-N 3.07Å; R62-T64 VanDerWaalsContact C-N 3.32Å; R62-T64 PolarHBondContact O-N 2.99Å
63	D	29.4	Very low	29.2	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	80%	0.799	S	S	*	*			trans	-48	98.2	164.4	-59.5	-48.7	0	0	0	108.5	N65	D63-N65 PolarHBondContact O-N 2.87Å
64	T	35.1	Very low	29.2	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	81%	0.805	S	S	*	*			trans	-73.5	90.5	163.8	41.9	0	0	0	0	105.4	R62 A66	R62-T64 VanDerWaalsContact C-N 3.32Å; R62-T64 PolarHBondContact O-N 2.99Å; T64-A66 PolarHBondContact O-N 3.29Å
65	N	28.2	Very low	29.4	Very low	130 Å²	130	143 Å²	143	70%	0.695	80%	0.803	S	S	*	*			trans	-34.2	127.6	166.9	-86.6	-47	0	0	0	109.3	D63 H67	D63-N65 PolarHBondContact O-N 2.87Å; N65-H67 PolarHBondContact O-N 3.37Å
66	A	29.7	Very low	29.4	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	79%	0.792	S	S	*	*			trans	-48.7	90	170	0	0	0	0	0	109.6	T64 K68	T64-A66 PolarHBondContact O-N 3.29Å; A66-K68 PolarHBondContact O-N 2.99Å
67	H	31.1	Very low	29.5	Very low	169 Å²	169	140.8 Å²	140.8	78%	0.782	79%	0.787	S	S	*	*			trans	-68.6	87.3	161.3	-80.8	-69.8	0	0	0	105.2	N65 M69	N65-H67 PolarHBondContact O-N 3.37Å; H67-M69 PolarHBondContact O-N 3.46Å
68	K	30.1	Very low	29.5	Very low	195 Å²	195	143.4 Å²	143.4	85%	0.848	79%	0.786	S	S	*	*			trans	-45.5	99.2	152.8	-82.3	175.7	173.2	175	0	105.9	A66 Q70	A66-K68 PolarHBondContact O-N 2.99Å; K68-Q70 PolarHBondContact O-N 2.95Å
69	M	28.9	Very low	29.7	Very low	178 Å²	178	150.3 Å²	150.3	88%	0.877	80%	0.8	S	S	*	*			trans	-66.7	92.7	164.8	-70.4	-153.3	179.7	0	0	106	H67 R71	H67-M69 PolarHBondContact O-N 3.46Å; M69-R71 PolarHBondContact O-N 3.04Å
70	Q	31.5	Very low	29.6	Very low	181 Å²	181	146.5 Å²	146.5	85%	0.846	78%	0.781	S	S	*	*			trans	-60.3	107.6	168.3	-173.3	162.1	-0.3	0	0	105.8	K68 Q72	K68-Q70 PolarHBondContact O-N 2.95Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.83Å
71	R	30.8	Very low	29.8	Very low	245 Å²	245	148.5 Å²	148.5	93%	0.925	78%	0.782	S	S	*	*			trans	-56.1	99.9	173.3	-69.5	-177.1	174.6	-144.7	-1.4	107.3	M69 A73	M69-R71 PolarHBondContact O-N 3.04Å; R71-A73 PolarHBondContact O-N 3.25Å; R71-A73 VanDerWaalsContact O-N 3.13Å
72	Q	27.9	Very low	29.8	Very low	176 Å²	176	149.3 Å²	149.3	82%	0.822	78%	0.781	S	S	*	*			trans	-64.7	112	166.3	-95.6	174.3	-15.5	0	0	106.2	Q70 V74	Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.83Å; Q72-V74 PolarHBondContact O-N 3.32Å
73	A	30	Very low	29.9	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	77%	0.774	S	S	*	*			trans	-59.2	106.1	163.6	0	0	0	0	0	106.5	R71 I75	R71-A73 PolarHBondContact O-N 3.25Å; R71-A73 VanDerWaalsContact O-N 3.13Å; A73-I75 PolarHBondContact O-N 3.07Å
74	V	29.4	Very low	29.8	Very low	132 Å²	132	145.6 Å²	145.6	80%	0.8	77%	0.773	S	S	*	*			trans	-68.6	93.4	168.9	178.9	0	0	0	0	105.6	Q72 S76	Q72-V74 PolarHBondContact O-N 3.32Å; V74-S76 PolarHBondContact O-N 2.87Å
75	I	33.1	Very low	29.6	Very low	155 Å²	155	148 Å²	148	80%	0.795	77%	0.766	S	S	*	*			trans	-72.3	88.3	168	-43	174.5	0	0	0	104.6	A73 A77	A73-I75 PolarHBondContact O-N 3.07Å; I75-A77 PolarHBondContact O-N 3.42Å
76	S	29.1	Very low	29.7	Very low	70 Å²	70	148.2 Å²	148.2	49%	0.49	77%	0.768	S	S	.	*			trans	-65.1	103.6	173.2	-173.5	0	0	0	0	107.7	V74 H78	V74-S76 PolarHBondContact O-N 2.87Å; S76-H78 PolarHBondContact O-N 2.83Å; S76-H78 PolarHBondContact OG-CD2 2.92Å; S76-H78 PolarHBondContact OG-NE2 2.88Å
77	A	29.5	Very low	29.5	Very low	91 Å²	91	153.1 Å²	153.1	75%	0.752	77%	0.767	S	S	*	*			trans	-69.6	70.2	170.5	0	0	0	0	0	109.1	I75 K79	I75-A77 PolarHBondContact O-N 3.42Å; A77-K79 PolarHBondContact O-N 3.47Å
78	H	30	Very low	29.4	Very low	166 Å²	166	153.2 Å²	153.2	77%	0.769	77%	0.768	S	S	*	*			trans	-70.7	88.4	164.1	-75.2	-62.1	0	0	0	107.8	S76 G80	S76-H78 PolarHBondContact O-N 2.83Å; S76-H78 PolarHBondContact OG-CD2 2.92Å; S76-H78 PolarHBondContact OG-NE2 2.88Å; H78-G80 PolarHBondContact O-N 2.85Å
79	K	29.6	Very low	29.2	Very low	204 Å²	204	151.1 Å²	151.1	89%	0.887	77%	0.766	S	S	*	*			trans	-62.5	75.2	155.8	-78.7	179.1	174.1	177.8	0	107.8	A77	A77-K79 PolarHBondContact O-N 3.47Å
80	G	25.9	Very low	29.3	Very low	51 Å²	51	149 Å²	149	53%	0.526	76%	0.758	S	S	.	*			trans	-66.4	135.2	163.6	0	0	0	0	0	108.4	H78 Q82	H78-G80 PolarHBondContact O-N 2.85Å; G80-Q82 PolarHBondContact O-N 2.77Å; G80-Q82 VanDerWaalsContact O-N 3.17Å
81	P	29.9	Very low	29	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	76%	0.755	S	S	*	*			trans	-57.7	122.6	-176.8	21.7	-31	0	0	0	109.9	H83	P81-H83 VanDerWaalsContact C-N 3.27Å; P81-H83 PolarHBondContact O-N 2.99Å
82	Q	27.9	Very low	29.1	Very low	191 Å²	191	138.4 Å²	138.4	89%	0.893	74%	0.743	S	S	*	*			trans	-60.5	89.5	172.8	-72.7	179.7	-24.1	0	0	108.7	G80 N84	G80-Q82 PolarHBondContact O-N 2.77Å; G80-Q82 VanDerWaalsContact O-N 3.17Å; Q82-N84 PolarHBondContact O-N 2.9Å
83	H	30.5	Very low	28.9	Very low	154 Å²	154	140.1 Å²	140.1	71%	0.713	75%	0.748	S	S	*	*			trans	-70.9	92.9	161.2	-88.7	-68.4	0	0	0	107.2	P81 R85	P81-H83 VanDerWaalsContact C-N 3.27Å; P81-H83 PolarHBondContact O-N 2.99Å; H83-R85 PolarHBondContact O-N 3.05Å
84	N	27	Very low	28.9	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	75%	0.746	S	S	*	*			trans	-62.5	74.3	170.2	-155.3	16.2	0	0	0	108.7	Q82 N86	Q82-N84 PolarHBondContact O-N 2.9Å; N84-N86 PolarHBondContact O-N 3.09Å
85	R	31.5	Very low	28.7	Very low	189 Å²	189	139.2 Å²	139.2	71%	0.713	74%	0.743	S	S	*	*			trans	-90.2	93	166.6	-72.7	-169.6	-174.8	176.8	3	106.3	H83 Y87	H83-R85 PolarHBondContact O-N 3.05Å; R85-Y87 VanDerWaalsContact C-N 3.33Å; R85-Y87 WeakPolarHBondContact O-CD2 3.4Å; R85-Y87 PolarHBondContact O-N 3.1Å
86	N	29.6	Very low	28.4	Very low	135 Å²	135	137.9 Å²	137.9	72%	0.722	74%	0.742	S	S	*	*			trans	-52.8	102.1	162.5	-68.5	-22.2	0	0	0	107.2	N84 E88	N84-N86 PolarHBondContact O-N 3.09Å; N86-E88 VanDerWaalsContact C-N 3.28Å; N86-E88 PolarHBondContact O-N 2.82Å; N86-E88 VanDerWaalsContact O-N 3.1Å
87	Y	27	Very low	28.3	Very low	197 Å²	197	140 Å²	140	77%	0.773	76%	0.755	S	S	*	*			trans	-73.4	93.8	162.5	-77.4	-87	0	0	0	105.8	R85 N89	R85-Y87 VanDerWaalsContact C-N 3.33Å; R85-Y87 WeakPolarHBondContact O-CD2 3.4Å; R85-Y87 PolarHBondContact O-N 3.1Å; Y87-N89 PolarHBondContact O-N 3.5Å
88	E	27.2	Very low	28	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	76%	0.762	S	S	*	*			trans	-68.1	113.1	169.3	-158.1	161.6	-158.8	0	0	107.2	N86 D90	N86-E88 VanDerWaalsContact C-N 3.28Å; N86-E88 PolarHBondContact O-N 2.82Å; N86-E88 VanDerWaalsContact O-N 3.1Å; E88-D90 VanDerWaalsContact C-N 3.29Å; E88-D90 PolarHBondContact O-N 3.39Å
89	N	27.6	Very low	27.9	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	77%	0.768	S	S	*	*			trans	-73.5	75.2	-176.8	-74.3	-46.7	0	0	0	110.4	Y87 A91	Y87-N89 PolarHBondContact O-N 3.5Å; N89-A91 PolarHBondContact O-N 3.4Å; N89-A91 VanDerWaalsContact O-N 3.08Å
90	D	29.9	Very low	27.7	Very low	133 Å²	133	138.6 Å²	138.6	71%	0.711	75%	0.753	S	S	*	*			trans	-87	73.5	168	-79.8	-17.5	0	0	0	110.3	E88 T92	E88-D90 VanDerWaalsContact C-N 3.29Å; E88-D90 PolarHBondContact O-N 3.39Å; D90-T92 PolarHBondContact O-N 3.21Å
91	A	26.6	Very low	27.7	Very low	96 Å²	96	144.1 Å²	144.1	79%	0.793	77%	0.765	S	S	*	*			trans	-72.5	70.5	157.7	0	0	0	0	0	109.2	N89	N89-A91 PolarHBondContact O-N 3.4Å; N89-A91 VanDerWaalsContact O-N 3.08Å
92	T	31	Very low	27.6	Very low	109 Å²	109	145 Å²	145	67%	0.669	77%	0.768	S	S	*	*			trans	-110.5	77.7	161.3	40.2	0	0	0	0	109.1	D90 V94	D90-T92 PolarHBondContact O-N 3.21Å; T92-V94 PolarHBondContact O-N 2.94Å
93	F	25.4	Very low	27.4	Very low	211 Å²	211	145 Å²	145	93%	0.925	77%	0.768	S	S	*	*			trans	-63	85.5	158.2	-116.5	-97	0	0	0	107.9
94	V	29.1	Very low	27.2	Very low	109 Å²	109	144.1 Å²	144.1	66%	0.661	77%	0.773	S	S	*	*			trans	-108.4	98.4	162.9	-177.4	0	0	0	0	106.4	T92 T96	T92-V94 PolarHBondContact O-N 2.94Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.98Å
95	A	26.1	Very low	27	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	76%	0.764	S	S	*	*			trans	-62.8	94	166.9	0	0	0	0	0	108.4	P97	A95-P97 WeakPolarHBondContact O-CD 3.38Å
96	T	27	Very low	26.6	Very low	126 Å²	126	143.1 Å²	143.1	77%	0.773	77%	0.772	S	S	*	*			trans	-80.9	118	164	21.4	0	0	0	0	108.4	V94	V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.98Å
97	P	26.8	Very low	26.2	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	77%	0.772	S	S	*	*			trans	-70.5	153.5	-177.5	29.3	-34.1	0	0	0	111.8	A95 D99	A95-P97 WeakPolarHBondContact O-CD 3.38Å; P97-D99 PolarHBondContact O-N 2.83Å
98	M	23.3	Very low	25.9	Very low	183 Å²	183	139 Å²	139	90%	0.901	77%	0.774	S	S	*	*			trans	-45.9	114.4	177.4	-64.8	-90.1	-73.1	0	0	113.1
99	D	27.8	Very low	25.9	Very low	166 Å²	166	135.9 Å²	135.9	89%	0.888	77%	0.766	S	S	*	*			trans	-101.3	106.9	156	-102.3	-22.3	0	0	0	109.2	P97	P97-D99 PolarHBondContact O-N 2.83Å
100	S	24.6	Very low	25.8	Very low	81 Å²	81	135.5 Å²	135.5	57%	0.566	76%	0.764	S	S	*	*			trans	-64.9	146.3	166.1	53.3	0	0	0	0	111
101	H	26.3	Very low	25.5	Very low	168 Å²	168	139.6 Å²	139.6	78%	0.778	77%	0.77	S	S	*	*			trans	75.6	78.4	162.6	-52.6	-67.2	0	0	0	117.7
102	T	26.8	Very low	25.4	Very low	131 Å²	131	146.2 Å²	146.2	80%	0.804	77%	0.774	S	S	*	*			trans	-128.3	92.6	142.2	32.2	0	0	0	0	109.8	V104	T102-V104 VanDerWaalsContact C-N 3.35Å; T102-V104 PolarHBondContact O-N 2.96Å
103	Q	24.1	Very low	25.4	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	78%	0.782	S	S	*	*			trans	-64	97.4	158.1	-68.8	-177.8	-5.4	0	0	107.4
104	V	26.6	Very low	25.5	Very low	134 Å²	134	142.6 Å²	142.6	81%	0.812	78%	0.776	S	S	*	*			trans	-99.5	91.6	166.9	-171.8	0	0	0	0	107.4	T102	T102-V104 VanDerWaalsContact C-N 3.35Å; T102-V104 PolarHBondContact O-N 2.96Å
105	S	22.5	Very low	25.4	Very low	79 Å²	79	140.6 Å²	140.6	55%	0.552	78%	0.778	S	S	*	*			trans	-84.8	154.6	166.5	-173.6	0	0	0	0	109.9
106	Y	22.4	Very low	25.4	Very low	227 Å²	227	143.5 Å²	143.5	89%	0.89	78%	0.781	S	S	*	*			trans	84.5	121.2	169.4	-59.4	-79.2	0	0	0	118.3
107	G	22.8	Very low	25.4	Very low	68 Å²	68	147.8 Å²	147.8	70%	0.701	79%	0.789	S	S	*	*			trans	163.9	49.6	162.2	0	0	0	0	0	115.9	V109	G107-V109 VanDerWaalsContact C-N 3.34Å; G107-V109 PolarHBondContact O-N 2.99Å
108	H	20.4	Very low	25.6	Very low	178 Å²	178	146.4 Å²	146.4	82%	0.824	78%	0.782	S	S	*	*			trans	-68.6	92.4	167.1	-152.2	-52.2	0	0	0	108.3
109	V	27.7	Very low	25.8	Very low	106 Å²	106	146.5 Å²	146.5	64%	0.642	78%	0.78	S	S	*	*			trans	-124.3	101.7	172.5	-172	0	0	0	0	108.8	G107 R111	G107-V109 VanDerWaalsContact C-N 3.34Å; G107-V109 PolarHBondContact O-N 2.99Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 HydrophobicContact CG1-CG 4.05Å; V109-R111 PolarHBondContact O-N 3.22Å
110	N	23.6	Very low	25.9	Very low	142 Å²	142	147 Å²	147	76%	0.759	78%	0.775	S	S	*	*			trans	-56.7	91.4	164	-70.1	-35.7	0	0	0	109.5
111	R	24.9	Very low	26.1	Very low	220 Å²	220	149.4 Å²	149.4	83%	0.83	78%	0.781	S	S	*	*			trans	-107	92.3	162.3	-81.5	-174.7	-174.8	-173.1	2.9	108.6	V109 P113	V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 HydrophobicContact CG1-CG 4.05Å; V109-R111 PolarHBondContact O-N 3.22Å; R111-P113 WeakPolarHBondContact O-CD 3.22Å
112	R	23.3	Very low	26.2	Very low	235 Å²	235	152.1 Å²	152.1	89%	0.887	79%	0.786	S	S	*	*			trans	-52.6	122.4	157.7	-79.7	179.3	172.8	171.9	-2.4	107.8	S114	R112-S114 PolarHBondContact O-N 3.09Å; R112-S114 VanDerWaalsContact O-N 3.13Å
113	P	31.5	Very low	26.5	Very low	128 Å²	128	153.1 Å²	153.1	83%	0.831	78%	0.782	S	S	*	*			trans	-69.7	108.8	165.9	-10.2	26.1	0	0	0	107.5	R111 G115	R111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-G115 PolarHBondContact O-N 3.47Å
114	S	27	Very low	26.7	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	78%	0.777	S	S	*	*			trans	-72.1	79.4	161.6	59	0	0	0	0	107.9	R112	R112-S114 PolarHBondContact O-N 3.09Å; R112-S114 VanDerWaalsContact O-N 3.13Å
115	G	27.3	Very low	26.8	Very low	67 Å²	67	150.8 Å²	150.8	69%	0.691	77%	0.771	S	S	*	*			trans	-94.3	112.3	175.7	0	0	0	0	0	109.6	P113	P113-G115 PolarHBondContact O-N 3.47Å
116	N	26.7	Very low	27.2	Very low	153 Å²	153	158 Å²	158	82%	0.818	79%	0.786	S	S	*	*			trans	-54	148.1	-176.4	-69.3	-37.3	0	0	0	113.3	S118	N116-S118 VanDerWaalsContact C-N 3.28Å; N116-S118 PolarHBondContact O-N 3.07Å
117	K	26.9	Very low	27.6	Very low	215 Å²	215	158 Å²	158	94%	0.935	79%	0.785	S	S	*	*			trans	-55.4	85.3	168.6	-64.5	171.8	177.3	177.1	0	110	E119	K117-E119 PolarHBondContact O-N 2.96Å
118	S	30.2	Very low	28.2	Very low	88 Å²	88	159 Å²	159	62%	0.615	78%	0.779	S	S	*	*			trans	-78.8	103.8	159.1	57	0	0	0	0	106.2	N116 F120	N116-S118 VanDerWaalsContact C-N 3.28Å; N116-S118 PolarHBondContact O-N 3.07Å; S118-F120 PolarHBondContact O-N 3.05Å
119	E	28	Very low	29.1	Very low	184 Å²	184	157.1 Å²	157.1	86%	0.86	78%	0.78	S	S	*	*			trans	-50.1	83.4	161.9	-166.4	166.9	-151.5	0	0	108.1	K117 D121	K117-E119 PolarHBondContact O-N 2.96Å; E119-D121 PolarHBondContact O-N 2.75Å
120	F	30.9	Very low	29.4	Very low	176 Å²	176	159.1 Å²	159.1	77%	0.772	78%	0.782	S	S	*	*			trans	-80.7	104.1	173.5	-120.3	-88.6	0	0	0	105.4	S118 Y122	S118-F120 PolarHBondContact O-N 3.05Å; F120-Y122 PolarHBondContact O-N 2.84Å; F120-Y122 VanDerWaalsContact O-N 3.07Å
121	D	29.1	Very low	29.7	Very low	133 Å²	133	155.1 Å²	155.1	71%	0.711	77%	0.774	S	S	*	*			trans	-40.9	117.7	170.8	-78.6	-44.2	0	0	0	109.3	E119 Q123	E119-D121 PolarHBondContact O-N 2.75Å; D121-Q123 PolarHBondContact O-N 3.07Å
122	Y	28	Very low	30.2	Very low	224 Å²	224	151.2 Å²	151.2	88%	0.878	77%	0.767	S	S	*	*			trans	-63.7	75.7	165.4	-90.3	-98.2	0	0	0	107.4	F120 N124	F120-Y122 PolarHBondContact O-N 2.84Å; F120-Y122 VanDerWaalsContact O-N 3.07Å; Y122-N124 VanDerWaalsContact C-N 3.31Å; Y122-N124 PolarHBondContact O-N 2.76Å
123	Q	31.9	Very low	30.8	Very low	152 Å²	152	146.8 Å²	146.8	71%	0.71	76%	0.756	S	S	*	*			trans	-62.1	108	157.7	-74.5	-165.8	-9.9	0	0	105.2	D121 N125	D121-Q123 PolarHBondContact O-N 3.07Å; Q123-N125 PolarHBondContact O-N 2.99Å
124	N	28.2	Very low	31.4	Very low	149 Å²	149	144 Å²	144	80%	0.797	74%	0.739	S	S	*	*			trans	-52.2	64.3	166	-92.5	-43.6	0	0	0	110.3	Y122 R126	Y122-N124 VanDerWaalsContact C-N 3.31Å; Y122-N124 PolarHBondContact O-N 2.76Å; N124-R126 PolarHBondContact O-N 3.45Å
125	N	30.4	Very low	32	Very low	128 Å²	128	144.4 Å²	144.4	68%	0.684	73%	0.73	S	S	*	*			trans	-72.6	84.7	158.4	-74.7	-28.5	0	0	0	104.1	Q123 R127	Q123-N125 PolarHBondContact O-N 2.99Å; N125-R127 PolarHBondContact O-N 3.3Å
126	R	29.1	Very low	32.9	Very low	229 Å²	229	146 Å²	146	86%	0.864	72%	0.722	S	S	*	*			trans	-46	95.1	159.5	-67.1	-174.4	-172.5	-160.3	2.2	105.5	N124 P128	N124-R126 PolarHBondContact O-N 3.45Å; R126-P128 VanDerWaalsContact O-CD 3.23Å; R126-P128 WeakPolarHBondContact O-CD 3.13Å
127	R	30.9	Very low	34.2	Very low	229 Å²	229	146.1 Å²	146.1	86%	0.864	72%	0.715	S	S	*	*			trans	-58.2	115.6	169.9	-76.5	-176.8	175.8	-169.8	-1.4	104	N125 T129	N125-R127 PolarHBondContact O-N 3.3Å; R127-T129 PolarHBondContact O-N 3.42Å
128	P	36.1	Very low	35.5	Very low	89 Å²	89	140.8 Å²	140.8	58%	0.578	70%	0.697	S	S	*	*			trans	-57.3	133.3	172.4	-9.9	22.8	0	0	0	105.7	R126 H130	R126-P128 VanDerWaalsContact O-CD 3.23Å; R126-P128 WeakPolarHBondContact O-CD 3.13Å; P128-H130 PolarHBondContact O-N 3.11Å
129	T	38.4	Very low	36.5	Very low	137 Å²	137	141.7 Å²	141.7	84%	0.84	69%	0.691	S	S	*	*			trans	-58.9	71.6	174.6	17.1	0	0	0	0	110.1	R127 G131	R127-T129 PolarHBondContact O-N 3.42Å; T129-G131 VanDerWaalsContact C-N 3.26Å
130	H	33.9	Very low	37.8	Very low	149 Å²	149	138.1 Å²	138.1	69%	0.69	67%	0.674	S	S	*	*			trans	-90.8	16.9	173.1	-74.9	-53.1	0	0	0	112	P128	P128-H130 PolarHBondContact O-N 3.11Å
131	G	31.9	Very low	38.9	Very low	57 Å²	57	134 Å²	134	59%	0.588	66%	0.658	S	S	*	*	S	Bend	trans	-82.5	-27.7	-178.7	0	0	0	0	0	115.3	T129	T129-G131 VanDerWaalsContact C-N 3.26Å
132	M	33.9	Very low	40.1	Very low	139 Å²	139	134.1 Å²	134.1	69%	0.685	65%	0.649	S	S	*	*	S	Bend	trans	-94.2	-20.6	-171.8	-67.3	-65.2	-177.7	0	0	114.3	M135	M132-M135 HydrophobicContact SD-CE 4.28Å
133	H	37	Very low	41	Very low	142 Å²	142	127.2 Å²	127.2	66%	0.657	63%	0.627	S	S	*	*	H	α-helix	trans	-84.1	-10.9	-176.4	-78	80.2	0	0	0	114.4
134	S	43.4	Very low	42.1	Very low	68 Å²	68	126.7 Å²	126.7	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-78.9	-43.9	176.4	-163.3	0	0	0	0	111.9	I136 K137 D138	S134-I136 VanDerWaalsContact C-N 3.26Å; S134-I136 PolarHBondContact O-N 2.84Å; S134-K137 PolarHBondContact O-N 2.75Å; S134-K137 VanDerWaalsContact O-N 3.15Å; S134-D138 PolarHBondContact O-N 3.06Å
135	M	39.4	Very low	43.6	Very low	124 Å²	124	123.6 Å²	123.6	61%	0.611	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-32	-173.2	-59.7	-161.3	-55.2	0	0	113.1	M132 Q139	M132-M135 HydrophobicContact SD-CE 4.28Å; M135-Q139 PolarHBondContact O-N 2.77Å; M135-Q139 VanDerWaalsContact O-N 3.1Å
136	I	46.7	Very low	44.7	Very low	102 Å²	102	121.9 Å²	121.9	52%	0.523	59%	0.592	S	S	.	*	H	α-helix	trans	-69	-40.7	179.3	-58.6	174.5	0	0	0	110.8	S134 D138 Q139 E140	S134-I136 VanDerWaalsContact C-N 3.26Å; S134-I136 PolarHBondContact O-N 2.84Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-D138 PolarHBondContact O-N 2.86Å; I136-Q139 PolarHBondContact O-N 2.94Å; I136-E140 PolarHBondContact O-N 2.78Å
137	K	53.2	Low	45.9	Very low	154 Å²	154	116.5 Å²	116.5	67%	0.67	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-38.9	177.9	-73.2	-173.2	177.5	-178	0	112	S134 Q141	S134-K137 PolarHBondContact O-N 2.75Å; S134-K137 VanDerWaalsContact O-N 3.15Å; K137-Q141 WeakPolarHBondContact O-CB 3.22Å; K137-Q141 PolarHBondContact O-N 3.25Å
138	D	54.8	Low	47.7	Very low	104 Å²	104	108.7 Å²	108.7	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-67.6	-37.8	178.5	-63.6	-29	0	0	0	111.1	S134 I136 Q141 Y142	S134-D138 PolarHBondContact O-N 3.06Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-D138 PolarHBondContact O-N 2.86Å; D138-Q141 PolarHBondContact O-N 3.29Å; D138-Y142 WeakPolarHBondContact O-CB 3.25Å; D138-Y142 PolarHBondContact O-N 2.92Å
139	Q	51.8	Low	48.5	Very low	106 Å²	106	110.1 Å²	110.1	50%	0.495	56%	0.555	S	S	.	*	H	α-helix	trans	-67.8	-42.9	176.2	-171.2	63.4	51.9	0	0	112.7	M135 I136 Q141 Y142 N143	M135-Q139 PolarHBondContact O-N 2.77Å; M135-Q139 VanDerWaalsContact O-N 3.1Å; I136-Q139 PolarHBondContact O-N 2.94Å; Q139-Q141 VanDerWaalsContact C-N 3.3Å; Q139-Q141 PolarHBondContact O-N 3Å; Q139-Y142 PolarHBondContact O-N 3.05Å; Q139-N143 PolarHBondContact NE2-OD1 2.95Å; Q139-N143 VanDerWaalsContact O-CG 3.3Å; Q139-N143 PolarHBondContact O-N 2.9Å
140	E	53.8	Low	49.3	Very low	109 Å²	109	112 Å²	112	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-37.9	175.3	-75.5	-178.7	-176.4	0	0	111.7	I136 N143 R144	I136-E140 PolarHBondContact O-N 2.78Å; E140-N143 PolarHBondContact O-N 2.94Å; E140-R144 PolarHBondContact O-N 2.83Å; E140-R144 VanDerWaalsContact O-N 3.12Å
141	Q	55.4	Low	50.6	Low	90 Å²	90	110.8 Å²	110.8	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-65.8	-45.5	176	-164.3	66.5	23.2	0	0	111.3	K137 D138 Q139 N143 R144 D145	K137-Q141 WeakPolarHBondContact O-CB 3.22Å; K137-Q141 PolarHBondContact O-N 3.25Å; D138-Q141 PolarHBondContact O-N 3.29Å; Q139-Q141 VanDerWaalsContact C-N 3.3Å; Q139-Q141 PolarHBondContact O-N 3Å; Q141-N143 VanDerWaalsContact C-N 3.34Å; Q141-N143 PolarHBondContact O-N 2.82Å; Q141-R144 PolarHBondContact O-N 3.02Å; Q141-R144 VanDerWaalsContact OE1-NH2 3.17Å; Q141-D145 PolarHBondContact O-N 3.11Å
142	Y	53.8	Low	52	Low	135 Å²	135	112.8 Å²	112.8	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-58.1	-43.7	175.3	179.4	-96.5	0	0	0	112.4	D138 Q139 R144 D145 L146	D138-Y142 WeakPolarHBondContact O-CB 3.25Å; D138-Y142 PolarHBondContact O-N 2.92Å; Q139-Y142 PolarHBondContact O-N 3.05Å; Y142-R144 VanDerWaalsContact C-N 3.34Å; Y142-R144 PolarHBondContact O-N 3.29Å; Y142-D145 PolarHBondContact O-N 3.21Å; Y142-L146 HydrophobicContact CE1-CD1 4.41Å; Y142-L146 PolarHBondContact O-N 2.86Å
143	N	47	Very low	53.3	Low	79 Å²	79	110.8 Å²	110.8	42%	0.422	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-35.6	179.1	-70.7	-11.3	0	0	0	112.3	Q139 E140 Q141 M147	Q139-N143 PolarHBondContact NE2-OD1 2.95Å; Q139-N143 VanDerWaalsContact O-CG 3.3Å; Q139-N143 PolarHBondContact O-N 2.9Å; E140-N143 PolarHBondContact O-N 2.94Å; Q141-N143 VanDerWaalsContact C-N 3.34Å; Q141-N143 PolarHBondContact O-N 2.82Å; N143-M147 PolarHBondContact O-N 2.88Å
144	R	54.1	Low	54.9	Low	142 Å²	142	111.8 Å²	111.8	54%	0.536	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-39.6	173.6	-77	-162.5	-74.8	-132.3	-2.6	112.4	E140 Q141 Y142 T148	E140-R144 PolarHBondContact O-N 2.83Å; E140-R144 VanDerWaalsContact O-N 3.12Å; Q141-R144 PolarHBondContact O-N 3.02Å; Q141-R144 VanDerWaalsContact OE1-NH2 3.17Å; Y142-R144 VanDerWaalsContact C-N 3.34Å; Y142-R144 PolarHBondContact O-N 3.29Å; R144-T148 WeakPolarHBondContact O-CG2 3.34Å; R144-T148 PolarHBondContact O-N 3.37Å; R144-T148 VanDerWaalsContact O-N 3.1Å; R144-T148 PolarHBondContact O-OG1 2.93Å
145	D	60.4	Low	55.4	Low	83 Å²	83	111.2 Å²	111.2	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-36	178.3	-69.8	-12	0	0	0	111.8	Q141 Y142 T148 Q149	Q141-D145 PolarHBondContact O-N 3.11Å; Y142-D145 PolarHBondContact O-N 3.21Å; D145-T148 WeakPolarHBondContact CA-OG1 3.45Å; D145-T148 PolarHBondContact O-OG1 2.82Å; D145-Q149 WeakPolarHBondContact O-CG 3.28Å; D145-Q149 PolarHBondContact O-N 3.34Å
146	L	53.6	Low	56.1	Low	92 Å²	92	109.7 Å²	109.7	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-43.2	176.8	-155.5	89.5	0	0	0	112.3	Y142 Q149 Y150	Y142-L146 HydrophobicContact CE1-CD1 4.41Å; Y142-L146 PolarHBondContact O-N 2.86Å; L146-Q149 PolarHBondContact O-N 2.92Å; L146-Y150 PolarHBondContact O-N 2.62Å
147	M	55.6	Low	56.8	Low	116 Å²	116	110.8 Å²	110.8	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-67.1	-41.2	-179.7	-172.1	148.4	42.8	0	0	111.4	N143 Q149 Y150 E151	N143-M147 PolarHBondContact O-N 2.88Å; M147-Q149 PolarHBondContact O-N 2.76Å; M147-Y150 PolarHBondContact O-N 2.86Å; M147-E151 WeakPolarHBondContact O-CG 3.35Å; M147-E151 PolarHBondContact O-N 2.84Å
148	T	66.9	Low	57.3	Low	66 Å²	66	108.7 Å²	108.7	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-37.8	173.5	47.9	0	0	0	0	112.3	R144 D145 E151 I152	R144-T148 WeakPolarHBondContact O-CG2 3.34Å; R144-T148 PolarHBondContact O-N 3.37Å; R144-T148 VanDerWaalsContact O-N 3.1Å; R144-T148 PolarHBondContact O-OG1 2.93Å; D145-T148 WeakPolarHBondContact CA-OG1 3.45Å; D145-T148 PolarHBondContact O-OG1 2.82Å; T148-E151 PolarHBondContact O-N 2.71Å; T148-I152 WeakPolarHBondContact O-CB 3.39Å; T148-I152 WeakPolarHBondContact O-CD1 3.37Å; T148-I152 WeakPolarHBondContact O-CG1 3.44Å; T148-I152 PolarHBondContact O-N 3.1Å
149	Q	54.6	Low	57.4	Low	118 Å²	118	107.1 Å²	107.1	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-42.5	173.4	-79.3	-172.6	3.3	0	0	113	D145 L146 M147 I152 N153	D145-Q149 WeakPolarHBondContact O-CG 3.28Å; D145-Q149 PolarHBondContact O-N 3.34Å; L146-Q149 PolarHBondContact O-N 2.92Å; M147-Q149 PolarHBondContact O-N 2.76Å; Q149-I152 PolarHBondContact O-N 3.06Å; Q149-N153 WeakPolarHBondContact O-CB 3.47Å; Q149-N153 VanDerWaalsContact O-CG 3.24Å; Q149-N153 PolarHBondContact O-N 2.95Å; Q149-N153 PolarHBondContact O-ND2 2.88Å
150	Y	54.6	Low	57.5	Low	178 Å²	178	108 Å²	108	70%	0.698	53%	0.529	S	S	*	.	H	α-helix	trans	-64.3	-42.4	178.5	-165.2	-90	0	0	0	111.5	L146 M147 N153 R154	L146-Y150 PolarHBondContact O-N 2.62Å; M147-Y150 PolarHBondContact O-N 2.86Å; Y150-N153 PolarHBondContact O-N 2.85Å; Y150-R154 WeakPolarHBondContact O-CB 3.42Å; Y150-R154 PolarHBondContact O-N 2.79Å
151	E	61.9	Low	57.7	Low	123 Å²	123	104.6 Å²	104.6	58%	0.575	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-41.3	176.6	-72.5	-178	171.2	0	0	112.5	M147 T148 R154 A155	M147-E151 WeakPolarHBondContact O-CG 3.35Å; M147-E151 PolarHBondContact O-N 2.84Å; T148-E151 PolarHBondContact O-N 2.71Å; E151-R154 PolarHBondContact O-N 3.11Å; E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 2.84Å
152	I	60.9	Low	57.3	Low	98 Å²	98	102.6 Å²	102.6	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-46.7	175	-70.6	163.8	0	0	0	110.6	T148 Q149 R154 A155 L156	T148-I152 WeakPolarHBondContact O-CB 3.39Å; T148-I152 WeakPolarHBondContact O-CD1 3.37Å; T148-I152 WeakPolarHBondContact O-CG1 3.44Å; T148-I152 PolarHBondContact O-N 3.1Å; Q149-I152 PolarHBondContact O-N 3.06Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 2.79Å; I152-A155 PolarHBondContact O-N 2.83Å; I152-L156 HydrophobicContact CG2-CD1 3.83Å; I152-L156 WeakPolarHBondContact O-CB 3.37Å; I152-L156 WeakPolarHBondContact O-CG 3.45Å; I152-L156 PolarHBondContact O-N 3.49Å
153	N	61.2	Low	57.2	Low	98 Å²	98	101.3 Å²	101.3	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-39.1	179	-74.4	-24.6	0	0	0	111.7	Q149 Y150 L156 F157	Q149-N153 WeakPolarHBondContact O-CB 3.47Å; Q149-N153 VanDerWaalsContact O-CG 3.24Å; Q149-N153 PolarHBondContact O-N 2.95Å; Q149-N153 PolarHBondContact O-ND2 2.88Å; Y150-N153 PolarHBondContact O-N 2.85Å; N153-L156 PolarHBondContact O-N 3.32Å; N153-F157 WeakPolarHBondContact O-CB 3.3Å; N153-F157 PolarHBondContact O-N 3.03Å
154	R	69.3	Low	57.4	Low	162 Å²	162	101.7 Å²	101.7	61%	0.611	53%	0.528	S	S	*	.	H	α-helix	trans	-64.4	-44.3	173.9	-176.7	176.6	177.1	-87.3	1.1	111.7	Y150 E151 I152 F157 L158	Y150-R154 WeakPolarHBondContact O-CB 3.42Å; Y150-R154 PolarHBondContact O-N 2.79Å; E151-R154 PolarHBondContact O-N 3.11Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 2.79Å; R154-F157 PolarHBondContact O-N 3.11Å; R154-L158 HydrophobicContact CG-CD1 4.18Å; R154-L158 WeakPolarHBondContact O-CG 3.43Å; R154-L158 PolarHBondContact O-N 3.39Å
155	A	54.5	Low	57.1	Low	56 Å²	56	98.6 Å²	98.6	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-41.3	177.2	0	0	0	0	0	111.9	E151 I152 L158 A159	E151-A155 WeakPolarHBondContact O-CB 3.27Å; E151-A155 PolarHBondContact O-N 2.84Å; I152-A155 PolarHBondContact O-N 2.83Å; A155-L158 PolarHBondContact O-N 2.75Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 3.24Å
156	L	54.5	Low	56.4	Low	93 Å²	93	99.1 Å²	99.1	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-42.7	175	-81.6	164.5	0	0	0	112.2	I152 N153 L158 A159 N160	I152-L156 HydrophobicContact CG2-CD1 3.83Å; I152-L156 WeakPolarHBondContact O-CB 3.37Å; I152-L156 WeakPolarHBondContact O-CG 3.45Å; I152-L156 PolarHBondContact O-N 3.49Å; N153-L156 PolarHBondContact O-N 3.32Å; L156-L158 VanDerWaalsContact C-N 3.35Å; L156-A159 PolarHBondContact O-N 3.04Å; L156-N160 PolarHBondContact O-N 3.26Å
157	F	60.6	Low	55.8	Low	124 Å²	124	97.5 Å²	97.5	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-37.2	177	-172.9	-95.1	0	0	0	112.5	N153 R154 N160 P161 P162	N153-F157 WeakPolarHBondContact O-CB 3.3Å; N153-F157 PolarHBondContact O-N 3.03Å; R154-F157 PolarHBondContact O-N 3.11Å; F157-N160 CarbonylContact O-C 3.4Å; F157-P161 VanDerWaalsContact O-CA 3.3Å; F157-P161 WeakPolarHBondContact O-CA 3.47Å; F157-P161 VanDerWaalsContact O-N 3.16Å; F157-P162 HydrophobicContact CE2-CG 4.01Å; F157-P162 HydrophobicContact CZ-CG 4.26Å
158	L	63.7	Low	55	Low	110 Å²	110	96.5 Å²	96.5	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-72.8	-34.4	176.4	-72	170.3	0	0	0	112.7	R154 A155 L156	R154-L158 HydrophobicContact CG-CD1 4.18Å; R154-L158 WeakPolarHBondContact O-CG 3.43Å; R154-L158 PolarHBondContact O-N 3.39Å; A155-L158 PolarHBondContact O-N 2.75Å; L156-L158 VanDerWaalsContact C-N 3.35Å
159	A	57	Low	53.5	Low	71 Å²	71	103.8 Å²	103.8	59%	0.587	55%	0.552	S	S	*	*	H	α-helix	trans	-73.5	-38.8	176.7	0	0	0	0	0	112.2	A155 L156 P161	A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 3.24Å; L156-A159 PolarHBondContact O-N 3.04Å; A159-P161 VanDerWaalsContact C-CD 3.47Å; A159-P161 WeakPolarHBondContact O-CD 3.12Å
160	N	54.5	Low	52.6	Low	125 Å²	125	105 Å²	105	67%	0.668	56%	0.56	S	S	*	*	S	Bend	trans	-125.3	67.8	-178.7	-64.7	-43.5	0	0	0	110.9	L156 F157	L156-N160 PolarHBondContact O-N 3.26Å; F157-N160 CarbonylContact O-C 3.4Å
161	P	57	Low	51.8	Low	37 Å²	37	106.8 Å²	106.8	24%	0.24	57%	0.566	C	S	.	*			trans	-65.7	140.4	177.5	28.6	-34.3	0	0	0	109.3	F157 A159 V165 L166	F157-P161 VanDerWaalsContact O-CA 3.3Å; F157-P161 WeakPolarHBondContact O-CA 3.47Å; F157-P161 VanDerWaalsContact O-N 3.16Å; A159-P161 VanDerWaalsContact C-CD 3.47Å; A159-P161 WeakPolarHBondContact O-CD 3.12Å; P161-V165 HydrophobicContact CB-CB 4.07Å; P161-V165 HydrophobicContact CB-CG1 4.27Å; P161-V165 HydrophobicContact CB-CG2 4.4Å; P161-L166 HydrophobicContact CG-CD2 4.21Å; P161-L166 HydrophobicContact CG-CG 4.45Å
162	P	48.1	Very low	50.5	Low	49 Å²	49	104.6 Å²	104.6	32%	0.318	58%	0.576	S	S	.	*			trans	-57.3	149.9	176.9	19	-28.2	0	0	0	110.9	F157 S164 V165	F157-P162 HydrophobicContact CE2-CG 4.01Å; F157-P162 HydrophobicContact CZ-CG 4.26Å; P162-S164 PolarHBondContact O-N 3.41Å; P162-V165 HydrophobicContact CG-CG2 4.19Å; P162-V165 PolarHBondContact O-N 3.13Å
163	P	51.5	Low	49.1	Very low	107 Å²	107	112 Å²	112	70%	0.695	60%	0.598	S	S	*	*	H	α-helix	trans	-53.4	-26	-175	-26.7	32.9	0	0	0	114.6	V165 L166 A167	P163-V165 PolarHBondContact O-N 3.38Å; P163-L166 PolarHBondContact O-N 3.3Å; P163-L166 VanDerWaalsContact O-N 3.14Å; P163-A167 PolarHBondContact O-N 3.43Å; P163-A167 VanDerWaalsContact O-N 3.1Å
164	S	51	Low	47.6	Very low	88 Å²	88	109.8 Å²	109.8	62%	0.615	60%	0.598	S	S	*	*	H	α-helix	trans	-58	-31.6	174.6	55.4	0	0	0	0	113.2	P162	P162-S164 PolarHBondContact O-N 3.41Å
165	V	47.3	Very low	46	Very low	77 Å²	77	109.3 Å²	109.3	47%	0.467	61%	0.607	S	S	.	*	H	α-helix	trans	-79.2	-36.1	176.7	-175.5	0	0	0	0	111	P161 P162 P163 A167 S168	P161-V165 HydrophobicContact CB-CB 4.07Å; P161-V165 HydrophobicContact CB-CG1 4.27Å; P161-V165 HydrophobicContact CB-CG2 4.4Å; P162-V165 HydrophobicContact CG-CG2 4.19Å; P162-V165 PolarHBondContact O-N 3.13Å; P163-V165 PolarHBondContact O-N 3.38Å; V165-A167 PolarHBondContact O-N 2.88Å; V165-S168 PolarHBondContact O-N 3.17Å
166	L	46.2	Very low	45	Very low	93 Å²	93	112.5 Å²	112.5	49%	0.487	62%	0.617	S	S	.	*	H	α-helix	trans	-68.7	-32.4	179.2	-66.3	177.2	0	0	0	112.8	P161 P163 S168 R169	P161-L166 HydrophobicContact CG-CD2 4.21Å; P161-L166 HydrophobicContact CG-CG 4.45Å; P163-L166 PolarHBondContact O-N 3.3Å; P163-L166 VanDerWaalsContact O-N 3.14Å; L166-S168 PolarHBondContact O-N 3.16Å; L166-S168 VanDerWaalsContact O-N 3.07Å; L166-R169 PolarHBondContact O-N 2.98Å
167	A	41	Very low	43.9	Very low	58 Å²	58	114.8 Å²	114.8	48%	0.479	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	179.6	0	0	0	0	0	113.8	P163 V165	P163-A167 PolarHBondContact O-N 3.43Å; P163-A167 VanDerWaalsContact O-N 3.1Å; V165-A167 PolarHBondContact O-N 2.88Å
168	S	39.8	Very low	42.4	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-16.4	176	-64.2	0	0	0	0	113.5	V165 L166	V165-S168 PolarHBondContact O-N 3.17Å; L166-S168 PolarHBondContact O-N 3.16Å; L166-S168 VanDerWaalsContact O-N 3.07Å
169	R	34.5	Very low	41	Very low	220 Å²	220	117.8 Å²	117.8	83%	0.83	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-14.7	-171.9	-153.5	177.2	-88.7	-172.1	-4.2	114.7	L166	L166-R169 PolarHBondContact O-N 2.98Å
170	I	35.5	Very low	39.8	Very low	144 Å²	144	118.5 Å²	118.5	74%	0.738	66%	0.657	S	S	*	*	S	Bend	trans	-106.6	-4.3	-171.4	-51.7	-178.4	0	0	0	114.5	G172	I170-G172 PolarHBondContact O-N 2.85Å
171	R	37.2	Very low	38.6	Very low	215 Å²	215	119.8 Å²	119.8	81%	0.811	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	17	-177	-85.7	-170.1	-80.2	-160.9	-3.3	116.9
172	G	36.2	Very low	37.4	Very low	77 Å²	77	123.5 Å²	123.5	79%	0.794	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-10	-176.2	0	0	0	0	0	117.5	I170	I170-G172 PolarHBondContact O-N 2.85Å
173	R	31.3	Very low	36.5	Very low	254 Å²	254	126.6 Å²	126.6	96%	0.958	70%	0.704	S	S	*	*			trans	-114.9	44.4	-174.2	-116.4	-173.9	-174.6	-148.1	3.6	113.2
174	G	29.9	Very low	35.6	Very low	51 Å²	51	130.9 Å²	130.9	53%	0.526	71%	0.706	S	S	.	*			trans	-90.9	115.6	172.8	0	0	0	0	0	111	N176	G174-N176 VanDerWaalsContact C-N 3.3Å; G174-N176 PolarHBondContact O-N 3.03Å
175	N	33.9	Very low	34.4	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	72%	0.718	S	S	*	*			trans	-68.5	76.7	-179.8	-152.2	13.6	0	0	0	110.6	N177	N175-N177 PolarHBondContact O-N 3.1Å; N175-N177 VanDerWaalsContact O-N 3.1Å
176	N	34.8	Very low	33.7	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	73%	0.731	S	S	*	*			trans	-86.1	79.2	-171	-70.7	-19.1	0	0	0	112	G174 N178	G174-N176 VanDerWaalsContact C-N 3.3Å; G174-N176 PolarHBondContact O-N 3.03Å; N176-N178 PolarHBondContact O-N 2.93Å
177	N	30.2	Very low	32.9	Very low	141 Å²	141	143 Å²	143	75%	0.754	74%	0.744	S	S	*	*			trans	-76	12.2	171.6	-86.4	-12.3	0	0	0	114.8	N175	N175-N177 PolarHBondContact O-N 3.1Å; N175-N177 VanDerWaalsContact O-N 3.1Å
178	N	30.8	Very low	32.6	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	75%	0.753	S	S	*	*			trans	-139.4	39.6	-171.1	-78.6	-29.3	0	0	0	114.8	N176	N176-N178 PolarHBondContact O-N 2.93Å
179	I	32.7	Very low	32.1	Very low	139 Å²	139	150 Å²	150	71%	0.713	76%	0.758	S	S	*	*			trans	-92.1	109.1	166.1	-64	176.6	0	0	0	109	N181	I179-N181 PolarHBondContact O-N 3.14Å
180	A	32.6	Very low	32	Very low	87 Å²	87	148.2 Å²	148.2	72%	0.719	76%	0.757	S	S	*	*			trans	-55.2	118.8	173.2	0	0	0	0	0	111.5	D182	A180-D182 PolarHBondContact O-N 2.92Å; A180-D182 VanDerWaalsContact O-N 3.11Å
181	N	29.6	Very low	31.6	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	76%	0.759	S	S	*	*			trans	22.2	74.8	147.7	-62.6	-27.4	0	0	0	116.8	I179 S183	I179-N181 PolarHBondContact O-N 3.14Å; N181-S183 PolarHBondContact O-N 3.26Å; N181-S183 PolarHBondContact O-OG 3.23Å
182	D	31	Very low	31	Very low	115 Å²	115	142.9 Å²	142.9	62%	0.615	75%	0.754	S	S	*	*			trans	-71.7	116.2	158.5	-160.4	-6.5	0	0	0	107.8	A180 R184	A180-D182 PolarHBondContact O-N 2.92Å; A180-D182 VanDerWaalsContact O-N 3.11Å; D182-R184 PolarHBondContact O-N 3.08Å; D182-R184 IonicContact OD1-NE 3.26Å; D182-R184 IonicContact OD1-NH2 3.6Å; D182-R184 IonicContact OD2-CZ 3.65Å; D182-R184 IonicContact OD2-NE 2.74Å; D182-R184 IonicContact OD2-NH2 2.65Å; D182-R184 PolarHBondContact OD2-NH2 2.67Å
183	S	30.4	Very low	30.8	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	76%	0.758	S	S	*	*	S	Bend	trans	-80	32.4	-163.7	-54.7	0	0	0	0	113.6	N181	N181-S183 PolarHBondContact O-N 3.26Å; N181-S183 PolarHBondContact O-OG 3.23Å
184	R	30.8	Very low	30.7	Very low	198 Å²	198	141.6 Å²	141.6	75%	0.747	75%	0.747	S	S	*	*			trans	-105.3	31.1	179.4	-75.3	-177.7	-80.5	167.6	-2.7	112.9	D182 I186	D182-R184 PolarHBondContact O-N 3.08Å; D182-R184 IonicContact OD1-NE 3.26Å; D182-R184 IonicContact OD1-NH2 3.6Å; D182-R184 IonicContact OD2-CZ 3.65Å; D182-R184 IonicContact OD2-NE 2.74Å; D182-R184 IonicContact OD2-NH2 2.65Å; D182-R184 PolarHBondContact OD2-NH2 2.67Å; R184-I186 PolarHBondContact O-N 3.11Å
185	R	27.5	Very low	30.7	Very low	227 Å²	227	147.5 Å²	147.5	86%	0.857	76%	0.761	S	S	*	*			trans	-71.7	101.4	174.6	-155.3	176.4	-174.1	-170.6	0.8	108.6	D187	R185-D187 PolarHBondContact O-N 2.85Å
186	I	31.8	Very low	30.6	Very low	144 Å²	144	145 Å²	145	74%	0.738	75%	0.753	S	S	*	*			trans	-64.5	115.6	168.2	-62.3	170.4	0	0	0	106.7	R184 I188	R184-I186 PolarHBondContact O-N 3.11Å; I186-I188 VanDerWaalsContact C-N 3.32Å; I186-I188 HydrophobicContact CG2-CG1 4.39Å; I186-I188 PolarHBondContact O-N 2.95Å
187	D	30.3	Very low	30.2	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	76%	0.759	S	S	*	*			trans	-66.2	87.7	175.1	-74.3	-36.4	0	0	0	109.9	R185 Q189	R185-D187 PolarHBondContact O-N 2.85Å; D187-Q189 VanDerWaalsContact C-N 3.31Å; D187-Q189 PolarHBondContact O-N 3.31Å
188	I	34	Very low	30.2	Very low	131 Å²	131	147.6 Å²	147.6	67%	0.672	76%	0.764	S	S	*	*			trans	-77	93.8	164.3	-56.2	176.5	0	0	0	106.2	I186 K190	I186-I188 VanDerWaalsContact C-N 3.32Å; I186-I188 HydrophobicContact CG2-CG1 4.39Å; I186-I188 PolarHBondContact O-N 2.95Å; I188-K190 VanDerWaalsContact C-N 3.28Å; I188-K190 HydrophobicContact CG2-CG 4.15Å; I188-K190 PolarHBondContact O-N 2.97Å
189	Q	29	Very low	29.9	Very low	167 Å²	167	147.1 Å²	147.1	78%	0.78	76%	0.762	S	S	*	*			trans	-57.6	90.3	168.6	-67.3	-172.5	-4.7	0	0	109.1	D187 N191	D187-Q189 VanDerWaalsContact C-N 3.31Å; D187-Q189 PolarHBondContact O-N 3.31Å; Q189-N191 PolarHBondContact O-N 2.95Å
190	K	31.5	Very low	29.5	Very low	184 Å²	184	143.8 Å²	143.8	80%	0.8	76%	0.762	S	S	*	*			trans	-80.4	98.5	168.9	-73.2	-172	179.2	-178.1	0	107.4	I188 S192	I188-K190 VanDerWaalsContact C-N 3.28Å; I188-K190 HydrophobicContact CG2-CG 4.15Å; I188-K190 PolarHBondContact O-N 2.97Å; K190-S192 PolarHBondContact O-N 3.41Å
191	N	28	Very low	29.1	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	76%	0.762	S	S	*	*			trans	-49.1	127.5	168.3	-77.3	-16	0	0	0	109.8	Q189 L193	Q189-N191 PolarHBondContact O-N 2.95Å; N191-L193 PolarHBondContact O-N 3.15Å
192	S	25	Very low	28.8	Very low	100 Å²	100	148.4 Å²	148.4	70%	0.699	77%	0.765	S	S	*	*			trans	-53.4	112.7	179.1	55.1	0	0	0	0	111.5	K190	K190-S192 PolarHBondContact O-N 3.41Å
193	L	32.5	Very low	28.7	Very low	167 Å²	167	151.5 Å²	151.5	87%	0.874	78%	0.778	S	S	*	*			trans	-106.6	98.4	154.9	-149.4	82.6	0	0	0	107.7	N191 Q195	N191-L193 PolarHBondContact O-N 3.15Å; L193-Q195 PolarHBondContact O-N 3.14Å
194	N	28.1	Very low	28.4	Very low	136 Å²	136	152.4 Å²	152.4	73%	0.727	77%	0.774	S	S	*	*			trans	-52	117.2	168.9	-67.2	-39.8	0	0	0	110.1
195	Q	29.3	Very low	28.1	Very low	176 Å²	176	153.6 Å²	153.6	82%	0.822	78%	0.778	S	S	*	*			trans	-157.1	149.2	149.8	-80.7	-50.6	-55.8	0	0	109.1	L193	L193-Q195 PolarHBondContact O-N 3.14Å
196	P	33	Very low	27.9	Very low	99 Å²	99	147.9 Å²	147.9	64%	0.643	77%	0.773	S	S	*	*			trans	-102.9	160.5	-131.5	35.6	-30.3	0	0	0	114.4	L198	P196-L198 PolarHBondContact O-N 2.99Å
197	I	26.1	Very low	27.6	Very low	151 Å²	151	146.5 Å²	146.5	77%	0.774	77%	0.772	S	S	*	*			trans	-56.2	97.1	174.7	-58	155.5	0	0	0	109.6	N199	I197-N199 PolarHBondContact O-N 3.23Å
198	L	30.3	Very low	27.4	Very low	166 Å²	166	146.7 Å²	146.7	87%	0.869	78%	0.778	S	S	*	*			trans	-90.6	82.7	162	-90.8	155.9	0	0	0	108.3	P196 G200	P196-L198 PolarHBondContact O-N 2.99Å; L198-G200 PolarHBondContact O-N 3.1Å
199	N	24.9	Very low	27	Very low	149 Å²	149	149 Å²	149	80%	0.797	78%	0.783	S	S	*	*			trans	-61.1	119.8	155.1	-83.7	-26.6	0	0	0	107.9	I197	I197-N199 PolarHBondContact O-N 3.23Å
200	G	24.6	Very low	26.7	Very low	69 Å²	69	152.2 Å²	152.2	71%	0.711	79%	0.788	S	S	*	*			trans	172.1	88.8	174.4	0	0	0	0	0	115.7	L198	L198-G200 PolarHBondContact O-N 3.1Å
201	S	24.4	Very low	26.3	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	79%	0.788	S	S	*	*			trans	52.3	91.6	133.5	-174.4	0	0	0	0	118.8	M203	S201-M203 PolarHBondContact O-N 3.07Å
202	R	23	Very low	26.3	Very low	232 Å²	232	148.4 Å²	148.4	88%	0.875	79%	0.79	S	S	*	*				14	93.9	121.3	-152.6	177.9	-161.8	171.9	4.5	114.4
203	M	28.6	Very low	26.3	Very low	179 Å²	179	147.7 Å²	147.7	88%	0.882	79%	0.786	S	S	*	*			trans	-116.5	111.7	163.2	-79.7	-93	-88.6	0	0	107.7	S201	S201-M203 PolarHBondContact O-N 3.07Å
204	D	24.7	Very low	26	Very low	133 Å²	133	146.8 Å²	146.8	71%	0.711	78%	0.781	S	S	*	*			trans	-62.9	142.5	173.5	-88.5	-53.5	0	0	0	111.7
205	R	23.7	Very low	26	Very low	223 Å²	223	149.4 Å²	149.4	84%	0.842	79%	0.789	S	S	*	*	S	Bend	trans	48	118.2	142.6	-72	178.9	161.5	177.2	-5	120
206	S	23.8	Very low	25.9	Very low	107 Å²	107	150 Å²	150	75%	0.748	79%	0.792	S	S	*	*			trans	61.4	88	136.4	65.2	0	0	0	0	117.5
207	T	25.6	Very low	25.4	Very low	115 Å²	115	157 Å²	157	71%	0.706	81%	0.806	S	S	*	*			trans	-126.6	97.7	145.6	51	0	0	0	0	108.9	F209	T207-F209 HydrophobicContact CG2-CD2 4.5Å; T207-F209 HydrophobicContact CG2-CE2 4.04Å; T207-F209 PolarHBondContact O-N 3.44Å; T207-F209 VanDerWaalsContact O-N 3.13Å
208	V	24.3	Very low	25.5	Very low	146 Å²	146	154.3 Å²	154.3	89%	0.885	80%	0.801	S	S	*	*			trans	-63.3	100.8	161.8	175.7	0	0	0	0	106.6
209	F	26.4	Very low	25.3	Very low	179 Å²	179	152.8 Å²	152.8	79%	0.785	80%	0.798	S	S	*	*			trans	-112.2	134.8	167.6	-85.2	-74	0	0	0	110.5	T207	T207-F209 HydrophobicContact CG2-CD2 4.5Å; T207-F209 HydrophobicContact CG2-CE2 4.04Å; T207-F209 PolarHBondContact O-N 3.44Å; T207-F209 VanDerWaalsContact O-N 3.13Å
210	R	22.1	Very low	25.5	Very low	235 Å²	235	153.8 Å²	153.8	89%	0.887	80%	0.796	S	S	*	*			trans	-56.5	146.9	-169.9	-84.7	168.4	161.7	171.2	-6.2	114.1	T212	R210-T212 PolarHBondContact O-N 3.48Å
211	S	23.3	Very low	25.7	Very low	113 Å²	113	156.1 Å²	156.1	79%	0.79	80%	0.798	S	S	*	*			trans	-39.2	120	156.9	177.4	0	0	0	0	112.7
212	T	28.6	Very low	25.8	Very low	137 Å²	137	157 Å²	157	84%	0.84	80%	0.804	S	S	*	*			trans	-98.4	99.2	155.5	52.1	0	0	0	0	107.3	R210	R210-T212 PolarHBondContact O-N 3.48Å
213	S	25	Very low	26.1	Very low	86 Å²	86	155.9 Å²	155.9	60%	0.601	81%	0.806	S	S	*	*			trans	-59.8	156.4	156.1	50.1	0	0	0	0	109.8
214	D	25.4	Very low	26	Very low	147 Å²	147	153.2 Å²	153.2	79%	0.786	81%	0.805	S	S	*	*			trans	82.6	87.5	166.8	-52.4	-40.4	0	0	0	117.5
215	Q	28.1	Very low	26.3	Very low	191 Å²	191	155.7 Å²	155.7	89%	0.893	81%	0.814	S	S	*	*			trans	-148	98.5	139.8	-112	166.8	30.4	0	0	112.2
216	Q	27.4	Very low	26.6	Very low	190 Å²	190	154.8 Å²	154.8	89%	0.888	82%	0.817	S	S	*	*			trans	63.3	107.3	138.4	-57.8	-155.7	-17.7	0	0	120.7
217	R	23.5	Very low	26.7	Very low	244 Å²	244	159.1 Å²	159.1	92%	0.921	83%	0.825	S	S	*	*			trans	-57.7	119.1	158.3	-66.4	170.6	168.5	-143.7	-3.2	111.1
218	S	27.6	Very low	27	Very low	96 Å²	96	165.4 Å²	165.4	67%	0.671	84%	0.836	S	S	*	*			trans	-108	106.6	158	69.7	0	0	0	0	109.4
219	V	26	Very low	27.2	Very low	133 Å²	133	161 Å²	161	81%	0.806	82%	0.82	S	S	*	*			trans	-82.7	113.6	175.7	177.1	0	0	0	0	107.8
220	F	28.5	Very low	27.4	Very low	171 Å²	171	162.7 Å²	162.7	75%	0.75	83%	0.828	S	S	*	*			trans	-106.6	140.3	167.6	-78.6	-80	0	0	0	110.3
221	P	30.7	Very low	27.8	Very low	117 Å²	117	161.6 Å²	161.6	76%	0.76	83%	0.825	S	S	*	*			trans	-88	128.8	-168.2	2.9	16.8	0	0	0	112.4	K223	P221-K223 PolarHBondContact O-N 3.1Å
222	S	24.8	Very low	28.1	Very low	124 Å²	124	162.9 Å²	162.9	87%	0.867	82%	0.823	S	S	*	*			trans	-73.5	115.4	172.8	-42.2	0	0	0	0	110.8
223	K	30	Very low	28.4	Very low	207 Å²	207	164.7 Å²	164.7	90%	0.9	83%	0.827	S	S	*	*			trans	-89.8	114.8	163.7	-76.1	-175.5	177.4	178.9	0	108.9	P221	P221-K223 PolarHBondContact O-N 3.1Å
224	S	25.9	Very low	28.6	Very low	123 Å²	123	167.3 Å²	167.3	86%	0.86	83%	0.834	S	S	*	*			trans	-73.4	124.4	171	55.6	0	0	0	0	109.9
225	M	31.2	Very low	28.7	Very low	186 Å²	186	164.9 Å²	164.9	92%	0.916	83%	0.829	S	S	*	*			trans	-114.2	123.8	167.9	-80.5	-175.7	62.6	0	0	109
226	K	29.7	Very low	28.9	Very low	204 Å²	204	164.6 Å²	164.6	89%	0.887	83%	0.827	S	S	*	*			trans	-50.4	138	-173.6	-77.1	163.6	166.3	173.2	0	114.3
227	E	25.9	Very low	28.9	Very low	198 Å²	198	164.3 Å²	164.3	93%	0.925	83%	0.825	S	S	*	*			trans	-49.6	134.8	156.1	-69.8	170.5	133.1	0	0	111.3
228	R	32.3	Very low	29.2	Very low	246 Å²	246	159.6 Å²	159.6	93%	0.928	82%	0.819	S	S	*	*			trans	-136.8	109.5	162.2	-107.7	-173.1	-171	-164.6	2.6	109.2
229	G	29.3	Very low	29.2	Very low	55 Å²	55	159.5 Å²	159.5	57%	0.567	82%	0.818	S	S	*	*			trans	45.9	102.5	142.1	0	0	0	0	0	118.3	Y231	G229-Y231 PolarHBondContact O-N 3.28Å
230	F	30.2	Very low	29.2	Very low	213 Å²	213	164.2 Å²	164.2	93%	0.934	82%	0.821	S	S	*	*			trans	-68.1	112.9	154.3	-66	-88.3	0	0	0	108.5
231	Y	31.5	Very low	29.3	Very low	212 Å²	212	165.6 Å²	165.6	83%	0.831	83%	0.83	S	S	*	*			trans	-85.1	119.1	164.4	-65.1	-83.2	0	0	0	107.6	G229 L233	G229-Y231 PolarHBondContact O-N 3.28Å; Y231-L233 PolarHBondContact O-N 2.93Å
232	N	28.2	Very low	29.3	Very low	140 Å²	140	166.1 Å²	166.1	75%	0.749	83%	0.831	S	S	*	*			trans	-60.4	114.3	170.2	-69	-29.4	0	0	0	108.5	D234	N232-D234 PolarHBondContact O-N 2.88Å
233	L	35.2	Very low	29.5	Very low	176 Å²	176	167.5 Å²	167.5	92%	0.921	83%	0.828	S	S	*	*			trans	-87.2	90.2	165.1	-72.5	172.3	0	0	0	107	Y231 S235	Y231-L233 PolarHBondContact O-N 2.93Å; L233-S235 PolarHBondContact O-N 3.14Å
234	D	30	Very low	29.4	Very low	141 Å²	141	162.1 Å²	162.1	75%	0.754	82%	0.816	S	S	*	*			trans	-67.2	121.2	167.5	-72.6	-41.7	0	0	0	109.6	N232	N232-D234 PolarHBondContact O-N 2.88Å
235	S	27.4	Very low	29.5	Very low	96 Å²	96	164.8 Å²	164.8	67%	0.671	81%	0.812	S	S	*	*			trans	42.3	94.8	136.2	-176.8	0	0	0	0	118.8	L233	L233-S235 PolarHBondContact O-N 3.14Å
236	E	31.9	Very low	29.3	Very low	184 Å²	184	163.1 Å²	163.1	86%	0.86	81%	0.807	S	S	*	*			trans	-132.2	94.3	144.6	-74.6	-172	159.9	0	0	109.6	D238	E236-D238 VanDerWaalsContact C-N 3.28Å; E236-D238 PolarHBondContact O-N 3.25Å
237	H	26.7	Very low	29.2	Very low	184 Å²	184	157.3 Å²	157.3	85%	0.852	79%	0.792	S	S	*	*			trans	-70.2	85	161.9	-81	-78.2	0	0	0	108.6
238	D	30.3	Very low	29.3	Very low	146 Å²	146	159.7 Å²	159.7	78%	0.781	79%	0.793	S	S	*	*			trans	-97.4	103.1	170.9	-129.4	-7.6	0	0	0	110.7	E236	E236-D238 VanDerWaalsContact C-N 3.28Å; E236-D238 PolarHBondContact O-N 3.25Å
239	S	27.2	Very low	29	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	78%	0.781	S	S	*	*			trans	-56.5	130.2	169.4	52.5	0	0	0	0	112
240	R	25.8	Very low	28.9	Very low	231 Å²	231	157 Å²	157	87%	0.872	80%	0.798	S	S	*	*			trans	155.6	74.7	142.1	-87.3	162.8	172.5	174.5	0.3	110.9
241	E	31.3	Very low	28.9	Very low	200 Å²	200	151.5 Å²	151.5	94%	0.935	78%	0.783	S	S	*	*			trans	-104.3	100.4	152.2	-77.8	-164.5	166.3	0	0	109.5	L243	E241-L243 PolarHBondContact O-N 3.31Å
242	V	30	Very low	28.8	Very low	128 Å²	128	152.6 Å²	152.6	78%	0.776	79%	0.785	S	S	*	*			trans	-45.5	121.4	178.8	175.2	0	0	0	0	111.1	S244	V242-S244 PolarHBondContact O-N 3.11Å
243	L	29.2	Very low	28.8	Very low	153 Å²	153	154 Å²	154	80%	0.801	79%	0.787	S	S	*	*			trans	-49.5	100.5	163.2	-68.6	163.2	0	0	0	109.7	E241 K245	E241-L243 PolarHBondContact O-N 3.31Å; L243-K245 VanDerWaalsContact C-N 3.34Å; L243-K245 PolarHBondContact O-N 3.29Å
244	S	28.4	Very low	28.5	Very low	94 Å²	94	150.2 Å²	150.2	66%	0.657	78%	0.775	S	S	*	*			trans	-69.9	93.9	171.1	-177.3	0	0	0	0	108.9	V242 N246	V242-S244 PolarHBondContact O-N 3.11Å; S244-N246 PolarHBondContact O-N 3.46Å
245	K	27.4	Very low	28.3	Very low	179 Å²	179	154.5 Å²	154.5	78%	0.778	78%	0.781	S	S	*	*			trans	-71.8	67.3	169.9	-68.5	177.1	178.7	175.8	0	109.9	L243 S247	L243-K245 VanDerWaalsContact C-N 3.34Å; L243-K245 PolarHBondContact O-N 3.29Å; K245-S247 PolarHBondContact O-N 2.78Å
246	N	28	Very low	28.4	Very low	152 Å²	152	154.4 Å²	154.4	81%	0.813	78%	0.776	S	S	*	*			trans	-77.2	79	162.8	-78.4	-14.8	0	0	0	109.1	S244	S244-N246 PolarHBondContact O-N 3.46Å
247	S	27.3	Very low	28	Very low	82 Å²	82	153.2 Å²	153.2	57%	0.573	77%	0.77	S	S	*	*			trans	-68.8	149.6	160.4	54.4	0	0	0	0	110.3	K245	K245-S247 PolarHBondContact O-N 2.78Å
248	R	28.2	Very low	28.1	Very low	247 Å²	247	152 Å²	152	93%	0.932	76%	0.763	S	S	*	*			trans	87.2	95.1	164.3	-53.8	179.2	176	125.7	-1.6	116.6
249	G	26.2	Very low	28	Very low	66 Å²	66	153 Å²	153	68%	0.68	76%	0.763	S	S	*	*			trans	-161.3	61.4	160.5	0	0	0	0	0	110.8	T251	G249-T251 PolarHBondContact O-N 2.88Å
250	L	27.5	Very low	27.9	Very low	178 Å²	178	153.4 Å²	153.4	93%	0.932	76%	0.757	S	S	*	*			trans	-68.9	71.5	164.1	-76.9	166.6	0	0	0	108.3	R252	L250-R252 PolarHBondContact O-N 3.04Å; L250-R252 VanDerWaalsContact O-N 3.07Å
251	T	29.9	Very low	28.1	Very low	99 Å²	99	149.3 Å²	149.3	61%	0.607	75%	0.753	S	S	*	*			trans	-73.8	103.6	170.5	-58.1	0	0	0	0	106.9	G249 H253	G249-T251 PolarHBondContact O-N 2.88Å; T251-H253 VanDerWaalsContact C-N 3.3Å; T251-H253 PolarHBondContact O-CD2 2.78Å; T251-H253 PolarHBondContact O-N 3.09Å
252	R	28	Very low	27.9	Very low	234 Å²	234	148 Å²	148	88%	0.883	74%	0.744	S	S	*	*			trans	-57.2	93.1	170.3	-65.4	177.8	178	-141.7	-0.4	108	L250 S254	L250-R252 PolarHBondContact O-N 3.04Å; L250-R252 VanDerWaalsContact O-N 3.07Å; R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 2.66Å
253	H	30	Very low	28	Very low	169 Å²	169	152.7 Å²	152.7	78%	0.782	75%	0.748	S	S	*	*			trans	-69.4	102.1	166.3	-69.2	-67.9	0	0	0	107	T251 R255	T251-H253 VanDerWaalsContact C-N 3.3Å; T251-H253 PolarHBondContact O-CD2 2.78Å; T251-H253 PolarHBondContact O-N 3.09Å; H253-R255 PolarHBondContact O-N 3.3Å
254	S	27.8	Very low	28.1	Very low	97 Å²	97	157.5 Å²	157.5	68%	0.678	76%	0.755	S	S	*	*			trans	-45.3	135.4	166.1	38.6	0	0	0	0	109.2	R252 V256	R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 2.66Å; S254-V256 VanDerWaalsContact C-N 3.25Å; S254-V256 PolarHBondContact O-N 3.38Å
255	R	26.8	Very low	28.2	Very low	231 Å²	231	156 Å²	156	87%	0.872	76%	0.755	S	S	*	*			trans	-58.7	81.9	179.6	-170.7	177.8	-178.7	135	-2.6	109.8	H253 H257	H253-R255 PolarHBondContact O-N 3.3Å; R255-H257 PolarHBondContact O-N 3.32Å; R255-H257 VanDerWaalsContact O-N 3.11Å
256	V	28.2	Very low	28.4	Very low	95 Å²	95	156.6 Å²	156.6	58%	0.576	76%	0.76	S	S	*	*			trans	-68.2	110.4	169.6	-179.1	0	0	0	0	106	S254 F258	S254-V256 VanDerWaalsContact C-N 3.25Å; S254-V256 PolarHBondContact O-N 3.38Å; V256-F258 HydrophobicContact CB-CD2 4.33Å; V256-F258 HydrophobicContact CB-CE2 3.96Å; V256-F258 HydrophobicContact CG1-CD2 4.21Å; V256-F258 HydrophobicContact CG1-CE2 3.9Å; V256-F258 HydrophobicContact CG1-CZ 4.08Å; V256-F258 WeakPolarHBondContact O-CD2 3.34Å; V256-F258 PolarHBondContact O-N 2.88Å
257	H	24.5	Very low	28.5	Very low	158 Å²	158	152.8 Å²	152.8	73%	0.731	76%	0.757	S	S	*	*			trans	-63.6	87.2	173.4	-121.4	-54.2	0	0	0	107.8	R255 Q259	R255-H257 PolarHBondContact O-N 3.32Å; R255-H257 VanDerWaalsContact O-N 3.11Å; H257-Q259 VanDerWaalsContact C-N 3.29Å; H257-Q259 PolarHBondContact O-N 3.07Å
258	F	28.8	Very low	28.9	Very low	160 Å²	160	154 Å²	154	70%	0.702	77%	0.765	S	S	*	*			trans	-69.7	97.1	164.8	-73.5	-80.3	0	0	0	106.7	V256 N260	V256-F258 HydrophobicContact CB-CD2 4.33Å; V256-F258 HydrophobicContact CB-CE2 3.96Å; V256-F258 HydrophobicContact CG1-CD2 4.21Å; V256-F258 HydrophobicContact CG1-CE2 3.9Å; V256-F258 HydrophobicContact CG1-CZ 4.08Å; V256-F258 WeakPolarHBondContact O-CD2 3.34Å; V256-F258 PolarHBondContact O-N 2.88Å; F258-N260 PolarHBondContact O-N 2.84Å
259	Q	27.7	Very low	29.2	Very low	167 Å²	167	152 Å²	152	78%	0.78	76%	0.758	S	S	*	*			trans	-62.7	83.7	157.9	-77.5	-175.4	-25.2	0	0	106.7	H257 N261	H257-Q259 VanDerWaalsContact C-N 3.29Å; H257-Q259 PolarHBondContact O-N 3.07Å; Q259-N261 PolarHBondContact O-N 3.14Å
260	N	25.4	Very low	29.5	Very low	101 Å²	101	157.4 Å²	157.4	54%	0.54	77%	0.766	S	S	.	*			trans	-70.8	90.9	168.7	-78	-19.1	0	0	0	106.8	F258 F262	F258-N260 PolarHBondContact O-N 2.84Å; N260-F262 HydrophobicContact CB-CD2 3.51Å; N260-F262 HydrophobicContact CB-CE2 3.34Å; N260-F262 HydrophobicContact CB-CG 4.31Å; N260-F262 HydrophobicContact CB-CZ 4.02Å; N260-F262 PolarHBondContact O-N 2.9Å
261	N	28.6	Very low	29.8	Very low	145 Å²	145	158.2 Å²	158.2	78%	0.775	76%	0.758	S	S	*	*			trans	-60	77.5	153.6	-72.6	-41.7	0	0	0	107.1	Q259 R263	Q259-N261 PolarHBondContact O-N 3.14Å; N261-R263 PolarHBondContact O-N 2.93Å
262	F	28.7	Very low	29.9	Very low	172 Å²	172	165.2 Å²	165.2	75%	0.754	77%	0.773	S	S	*	*			trans	-67.3	78.6	165.2	-76.3	-75.1	0	0	0	106.9	N260 R264	N260-F262 HydrophobicContact CB-CD2 3.51Å; N260-F262 HydrophobicContact CB-CE2 3.34Å; N260-F262 HydrophobicContact CB-CG 4.31Å; N260-F262 HydrophobicContact CB-CZ 4.02Å; N260-F262 PolarHBondContact O-N 2.9Å; F262-R264 PolarHBondContact O-N 2.94Å
263	R	32	Very low	30.2	Very low	227 Å²	227	157.2 Å²	157.2	86%	0.857	76%	0.763	S	S	*	*			trans	-53.8	124.8	143.2	-71	-167.6	177.5	-106.4	0.1	104.1	N261 G265	N261-R263 PolarHBondContact O-N 2.93Å; R263-G265 PolarHBondContact O-N 2.91Å
264	R	31.3	Very low	30.3	Very low	254 Å²	254	156.8 Å²	156.8	96%	0.958	76%	0.761	S	S	*	*			trans	-58	74.7	169.7	-72.3	-178.1	-173.5	-154.9	0.7	108.2	F262 Q266	F262-R264 PolarHBondContact O-N 2.94Å; R264-Q266 PolarHBondContact O-N 3.27Å
265	G	29.1	Very low	30.8	Very low	63 Å²	63	157.1 Å²	157.1	65%	0.649	76%	0.756	S	S	*	*			trans	-68	118.7	167.6	0	0	0	0	0	104.7	R263 G267	R263-G265 PolarHBondContact O-N 2.91Å; G265-G267 PolarHBondContact O-N 3.39Å
266	Q	33.2	Very low	31.6	Very low	191 Å²	191	152.2 Å²	152.2	89%	0.893	75%	0.747	S	S	*	*			trans	-40.8	117.4	175.2	-65	-176.7	-49.6	0	0	108.6	R264 S268	R264-Q266 PolarHBondContact O-N 3.27Å; Q266-S268 PolarHBondContact O-N 2.81Å
267	G	28.5	Very low	32.2	Very low	72 Å²	72	156.9 Å²	156.9	74%	0.742	75%	0.754	S	S	*	*			trans	-50.1	117.9	178.3	0	0	0	0	0	107.7	G265 R269	G265-G267 PolarHBondContact O-N 3.39Å; G267-R269 PolarHBondContact O-N 2.97Å
268	S	37.4	Very low	32.8	Very low	107 Å²	107	159.2 Å²	159.2	75%	0.748	76%	0.763	S	S	*	*			trans	-59.7	98.1	171.4	53.4	0	0	0	0	105.7	Q266 Q270	Q266-S268 PolarHBondContact O-N 2.81Å; S268-Q270 PolarHBondContact O-N 2.89Å
269	R	32.7	Very low	33.1	Very low	206 Å²	206	154.1 Å²	154.1	78%	0.777	76%	0.755	S	S	*	*			trans	-46.1	109.8	164	-114.7	173.8	159.5	-166.5	-5.4	105	G267 Y271	G267-R269 PolarHBondContact O-N 2.97Å; R269-Y271 HydrophobicContact CB-CD2 4.42Å; R269-Y271 HydrophobicContact CB-CE2 4.45Å; R269-Y271 PolarHBondContact O-N 2.96Å
270	Q	34.1	Very low	33.4	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	75%	0.754	S	S	*	*			trans	-65	91.5	172.7	-71	176.8	-10.8	0	0	105.1	S268 W272	S268-Q270 PolarHBondContact O-N 2.89Å; Q270-W272 PolarHBondContact O-N 3.26Å
271	Y	33.2	Very low	33.8	Very low	195 Å²	195	157.4 Å²	157.4	77%	0.765	77%	0.77	S	S	*	*			trans	-59.2	124.6	165.2	-91.2	-96.1	0	0	0	105.4	R269 G273	R269-Y271 HydrophobicContact CB-CD2 4.42Å; R269-Y271 HydrophobicContact CB-CE2 4.45Å; R269-Y271 PolarHBondContact O-N 2.96Å; Y271-G273 PolarHBondContact O-N 2.87Å
272	W	31.9	Very low	34	Very low	245 Å²	245	158 Å²	158	93%	0.928	77%	0.768	S	S	*	*			trans	-60.5	92.8	159.1	-75.7	70.6	0	0	0	105.3	Q270 H274	Q270-W272 PolarHBondContact O-N 3.26Å; W272-H274 PolarHBondContact O-N 2.92Å
273	G	33.5	Very low	34.1	Very low	66 Å²	66	157.6 Å²	157.6	68%	0.68	77%	0.774	S	S	*	*			trans	-67	116.4	174.3	0	0	0	0	0	106.7	Y271 D275	Y271-G273 PolarHBondContact O-N 2.87Å; G273-D275 PolarHBondContact O-N 2.84Å
274	H	33.6	Very low	34.1	Very low	160 Å²	160	152 Å²	152	74%	0.741	77%	0.765	S	S	*	*			trans	-57.5	130.4	159.1	-66.4	-76.5	0	0	0	106.6	W272 D276	W272-H274 PolarHBondContact O-N 2.92Å; H274-D276 PolarHBondContact O-N 2.78Å
275	D	37.7	Very low	34	Very low	104 Å²	104	146.4 Å²	146.4	56%	0.556	76%	0.762	S	S	*	*			trans	-71.2	78.7	-180	-167.9	5	0	0	0	108.4	G273 R277	G273-D275 PolarHBondContact O-N 2.84Å; D275-R277 VanDerWaalsContact CG-NE 3.31Å; D275-R277 PolarHBondContact O-N 3.04Å; D275-R277 VanDerWaalsContact OD1-CG 3.25Å; D275-R277 WeakPolarHBondContact OD1-CG 3.45Å; D275-R277 IonicContact OD1-CZ 3.85Å; D275-R277 IonicContact OD1-NE 3.73Å; D275-R277 PolarHBondContact OD1-NE 3.4Å; D275-R277 IonicContact OD1-NH2 3.7Å; D275-R277 IonicContact OD2-CZ 3.64Å; D275-R277 VanDerWaalsContact OD2-CZ 3.26Å; D275-R277 IonicContact OD2-NE 2.77Å; D275-R277 PolarHBondContact OD2-NE 3.22Å; D275-R277 VanDerWaalsContact OD2-NE 3.09Å; D275-R277 IonicContact OD2-NH2 2.87Å; D275-R277 PolarHBondContact OD2-NH2 2.91Å
276	D	43.5	Very low	33.8	Very low	128 Å²	128	146 Å²	146	68%	0.684	76%	0.758	S	S	*	*			trans	-72.7	25.5	-175.8	-65.8	-23.4	0	0	0	112.1	H274 F278 G279	H274-D276 PolarHBondContact O-N 2.78Å; D276-F278 PolarHBondContact O-N 2.99Å; D276-G279 PolarHBondContact O-N 3.25Å
277	R	41.5	Very low	33.6	Very low	194 Å²	194	144.2 Å²	144.2	73%	0.732	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-3.2	175	-83.6	-171.5	-79.4	-177.1	-4.5	114.1	D275	D275-R277 VanDerWaalsContact CG-NE 3.31Å; D275-R277 PolarHBondContact O-N 3.04Å; D275-R277 VanDerWaalsContact OD1-CG 3.25Å; D275-R277 WeakPolarHBondContact OD1-CG 3.45Å; D275-R277 IonicContact OD1-CZ 3.85Å; D275-R277 IonicContact OD1-NE 3.73Å; D275-R277 PolarHBondContact OD1-NE 3.4Å; D275-R277 IonicContact OD1-NH2 3.7Å; D275-R277 IonicContact OD2-CZ 3.64Å; D275-R277 VanDerWaalsContact OD2-CZ 3.26Å; D275-R277 IonicContact OD2-NE 2.77Å; D275-R277 PolarHBondContact OD2-NE 3.22Å; D275-R277 VanDerWaalsContact OD2-NE 3.09Å; D275-R277 IonicContact OD2-NH2 2.87Å; D275-R277 PolarHBondContact OD2-NH2 2.91Å
278	F	37	Very low	33.5	Very low	207 Å²	207	151.2 Å²	151.2	91%	0.908	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	24.4	171.2	-61.2	-73.9	0	0	0	113.9	D276	D276-F278 PolarHBondContact O-N 2.99Å
279	G	34.4	Very low	33.3	Very low	53 Å²	53	151.1 Å²	151.1	55%	0.546	75%	0.751	S	S	.	*	S	Bend	trans	-90	94.8	170.2	0	0	0	0	0	113.1	D276	D276-G279 PolarHBondContact O-N 3.25Å
280	I	33.9	Very low	33.1	Very low	149 Å²	149	148 Å²	148	76%	0.764	75%	0.745	S	S	*	*			trans	53.8	82.9	148	-40.8	171.8	0	0	0	115.3	E282	I280-E282 VanDerWaalsContact C-N 3.29Å; I280-E282 HydrophobicContact CG2-CG 4.1Å; I280-E282 PolarHBondContact O-N 2.94Å
281	H	33.2	Very low	32.8	Very low	187 Å²	187	145.1 Å²	145.1	87%	0.866	74%	0.736	S	S	*	*			trans	-72.6	89.6	160	-91.8	-65.9	0	0	0	110.1	N283	H281-N283 PolarHBondContact O-N 2.99Å
282	E	33.1	Very low	32.5	Very low	157 Å²	157	140.4 Å²	140.4	73%	0.734	73%	0.731	S	S	*	*			trans	-59.9	114.8	153.1	-71.1	-175.5	154.7	0	0	109.2	I280 T284	I280-E282 VanDerWaalsContact C-N 3.29Å; I280-E282 HydrophobicContact CG2-CG 4.1Å; I280-E282 PolarHBondContact O-N 2.94Å; E282-T284 PolarHBondContact O-N 2.91Å
283	N	31.4	Very low	32.5	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	73%	0.727	S	S	*	*			trans	24.1	59.5	147	-59.1	-28.6	0	0	0	117.6	H281	H281-N283 PolarHBondContact O-N 2.99Å
284	T	31.3	Very low	32.3	Very low	108 Å²	108	143 Å²	143	66%	0.663	73%	0.733	S	S	*	*			trans	-90.6	123	159.4	-56.2	0	0	0	0	107.7	E282 G286	E282-T284 PolarHBondContact O-N 2.91Å; T284-G286 PolarHBondContact O-N 3.46Å
285	P	31	Very low	32.2	Very low	138 Å²	138	142.7 Å²	142.7	90%	0.896	74%	0.737	S	S	*	*			trans	-76.2	70.4	179.3	32	-33	0	0	0	109.5
286	G	24.9	Very low	31.8	Very low	55 Å²	55	140.6 Å²	140.6	57%	0.567	74%	0.74	S	S	*	*			trans	-110	112.9	172.6	0	0	0	0	0	109	T284	T284-G286 PolarHBondContact O-N 3.46Å
287	I	28	Very low	31.4	Very low	153 Å²	153	141 Å²	141	79%	0.785	74%	0.742	S	S	*	*			trans	44.1	91.8	160.9	-49.3	176.9	0	0	0	113.6	V289	I287-V289 HydrophobicContact CG2-CG2 4.18Å; I287-V289 PolarHBondContact O-N 2.87Å
288	R	26.1	Very low	31	Very low	219 Å²	219	141.7 Å²	141.7	83%	0.826	75%	0.751	S	S	*	*			trans	-58.2	79.1	167	-165.5	-175.1	-160.1	-151.5	3.9	109.5	Q290	R288-Q290 HydrophobicContact CG-CG 4.16Å; R288-Q290 PolarHBondContact O-N 3.35Å
289	V	32.7	Very low	31.1	Very low	104 Å²	104	140.5 Å²	140.5	63%	0.63	75%	0.745	S	S	*	*			trans	-67.3	98.8	160.4	-170.8	0	0	0	0	103.8	I287 N291	I287-V289 HydrophobicContact CG2-CG2 4.18Å; I287-V289 PolarHBondContact O-N 2.87Å; V289-N291 VanDerWaalsContact CG1-OD1 3.27Å; V289-N291 WeakPolarHBondContact CG1-OD1 3.43Å; V289-N291 PolarHBondContact O-N 3.44Å
290	Q	28.9	Very low	31.3	Very low	141 Å²	141	141.7 Å²	141.7	66%	0.659	75%	0.745	S	S	*	*			trans	-64.4	79.7	168.4	-67.7	-176.9	9.2	0	0	106.5	R288 S292	R288-Q290 HydrophobicContact CG-CG 4.16Å; R288-Q290 PolarHBondContact O-N 3.35Å; Q290-S292 PolarHBondContact O-N 2.78Å
291	N	27.2	Very low	31.7	Very low	120 Å²	120	145.4 Å²	145.4	64%	0.642	75%	0.75	S	S	*	*			trans	-68.2	97.5	160.1	-78.6	-2.8	0	0	0	104.3	V289 F293	V289-N291 VanDerWaalsContact CG1-OD1 3.27Å; V289-N291 WeakPolarHBondContact CG1-OD1 3.43Å; V289-N291 PolarHBondContact O-N 3.44Å; N291-F293 VanDerWaalsContact C-N 3.33Å; N291-F293 WeakPolarHBondContact O-CD2 3.36Å; N291-F293 PolarHBondContact O-N 3.25Å
292	S	28.6	Very low	32	Very low	96 Å²	96	144.1 Å²	144.1	67%	0.671	74%	0.744	S	S	*	*			trans	-45.3	103	167.9	-59.6	0	0	0	0	107.4	Q290 H294	Q290-S292 PolarHBondContact O-N 2.78Å; S292-H294 PolarHBondContact O-N 3.02Å
293	F	31.9	Very low	32.5	Very low	191 Å²	191	145 Å²	145	84%	0.838	75%	0.747	S	S	*	*			trans	-59.8	93.4	168.1	-68.7	-86.3	0	0	0	105.8	N291 N295	N291-F293 VanDerWaalsContact C-N 3.33Å; N291-F293 WeakPolarHBondContact O-CD2 3.36Å; N291-F293 PolarHBondContact O-N 3.25Å; F293-N295 PolarHBondContact O-N 3.3Å; F293-N295 VanDerWaalsContact O-N 3.13Å
294	H	29.2	Very low	33.1	Very low	174 Å²	174	141 Å²	141	81%	0.806	73%	0.733	S	S	*	*			trans	-60.2	115.3	155.2	-90.8	62.1	0	0	0	104.4	S292 G296	S292-H294 PolarHBondContact O-N 3.02Å; H294-G296 PolarHBondContact O-N 3.38Å
295	N	30.2	Very low	33.6	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	73%	0.732	S	S	*	*			trans	-62.6	55.8	168.1	-78	-25.9	0	0	0	109.9	F293 D297	F293-N295 PolarHBondContact O-N 3.3Å; F293-N295 VanDerWaalsContact O-N 3.13Å; N295-D297 PolarHBondContact O-N 2.97Å
296	G	30.4	Very low	34.5	Very low	60 Å²	60	138.2 Å²	138.2	62%	0.619	72%	0.721	S	S	*	*			trans	-83.4	98.2	164.2	0	0	0	0	0	105.7	H294	H294-G296 PolarHBondContact O-N 3.38Å
297	D	34.8	Very low	35.5	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	73%	0.73	S	S	*	*			trans	19.5	108	163.1	-58.9	-35.8	0	0	0	115	N295 K299	N295-D297 PolarHBondContact O-N 2.97Å; D297-K299 PolarHBondContact O-N 3.4Å
298	F	33.7	Very low	36.5	Very low	210 Å²	210	144 Å²	144	92%	0.921	72%	0.724	S	S	*	*			trans	-53.9	77.4	159.7	-85.6	-99.9	0	0	0	109.3	S300	F298-S300 PolarHBondContact O-N 2.89Å
299	K	38.8	Very low	37.7	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.787	72%	0.718	S	S	*	*			trans	-68.7	92.6	151.7	-68.5	-163.7	178.5	-173.5	0	103.4	D297 R301	D297-K299 PolarHBondContact O-N 3.4Å; K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.92Å
300	S	39.4	Very low	38.9	Very low	79 Å²	79	141.3 Å²	141.3	55%	0.552	72%	0.721	S	S	*	*			trans	-41.4	108.4	159.2	46.9	0	0	0	0	105.9	F298 H302	F298-S300 PolarHBondContact O-N 2.89Å; S300-H302 PolarHBondContact O-CD2 2.91Å; S300-H302 PolarHBondContact O-N 3.43Å
301	R	40.7	Very low	40.5	Very low	227 Å²	227	141.3 Å²	141.3	86%	0.857	73%	0.726	S	S	*	*			trans	-63.5	91.2	167.2	-71.1	-177.3	-171.7	179	1.5	103.7	K299 H303	K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.92Å; R301-H303 VanDerWaalsContact C-N 3.3Å; R301-H303 PolarHBondContact O-N 3.41Å; R301-H303 PolarHBondContact O-ND1 3.45Å
302	H	40.4	Very low	42	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.736	72%	0.715	S	S	*	*			trans	-48.1	111.5	160.8	-76.5	-86.1	0	0	0	103.6	S300 S304	S300-H302 PolarHBondContact O-CD2 2.91Å; S300-H302 PolarHBondContact O-N 3.43Å; H302-S304 PolarHBondContact O-N 2.91Å
303	H	43.5	Very low	43.6	Very low	175 Å²	175	137.4 Å²	137.4	81%	0.81	70%	0.699	S	S	*	*			trans	-57.3	107.7	165.9	-62.4	25.9	0	0	0	101.5	R301 G305	R301-H303 VanDerWaalsContact C-N 3.3Å; R301-H303 PolarHBondContact O-N 3.41Å; R301-H303 PolarHBondContact O-ND1 3.45Å; H303-G305 PolarHBondContact O-N 3.05Å
304	S	44.5	Very low	45	Very low	83 Å²	83	133.3 Å²	133.3	58%	0.58	69%	0.691	S	S	*	*			trans	-56.2	105.2	167.8	40.9	0	0	0	0	103.1	H302 D306	H302-S304 PolarHBondContact O-N 2.91Å; S304-D306 PolarHBondContact O-N 3.3Å; S304-D306 VanDerWaalsContact O-N 3.15Å
305	G	42	Very low	46.6	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	69%	0.685	S	S	*	*			trans	-53.8	126.3	172.4	0	0	0	0	0	104.9	H303 E307	H303-G305 PolarHBondContact O-N 3.05Å; G305-E307 PolarHBondContact O-N 3.06Å; G305-E307 VanDerWaalsContact O-N 3.11Å
306	D	48.6	Very low	48.3	Very low	124 Å²	124	127.5 Å²	127.5	66%	0.663	66%	0.662	S	S	*	*			trans	12	91.5	169.8	-55.6	-28.9	0	0	0	111.1	S304 Y308	S304-D306 PolarHBondContact O-N 3.3Å; S304-D306 VanDerWaalsContact O-N 3.15Å; D306-Y308 HydrophobicContact CB-CD2 4.39Å; D306-Y308 HydrophobicContact CB-CE2 4.07Å; D306-Y308 WeakPolarHBondContact O-CD2 3.33Å; D306-Y308 PolarHBondContact O-N 3.48Å
307	E	46.2	Very low	49.7	Very low	162 Å²	162	129.5 Å²	129.5	76%	0.757	66%	0.657	S	S	*	*			trans	-59.8	86.2	162.1	-78.7	176.4	-171.2	0	0	104.9	G305 I309	G305-E307 PolarHBondContact O-N 3.06Å; G305-E307 VanDerWaalsContact O-N 3.11Å; E307-I309 PolarHBondContact O-N 3.32Å; E307-I309 VanDerWaalsContact O-N 3.17Å
308	Y	48.4	Very low	51	Low	167 Å²	167	126.8 Å²	126.8	66%	0.655	65%	0.654	S	S	*	*			trans	-48.6	125.4	155.3	-66.2	-86.4	0	0	0	103.5	D306 D310	D306-Y308 HydrophobicContact CB-CD2 4.39Å; D306-Y308 HydrophobicContact CB-CE2 4.07Å; D306-Y308 WeakPolarHBondContact O-CD2 3.33Å; D306-Y308 PolarHBondContact O-N 3.48Å; Y308-D310 VanDerWaalsContact CB-CG 3.45Å; Y308-D310 WeakPolarHBondContact CB-OD1 3.34Å; Y308-D310 PolarHBondContact O-N 2.98Å
309	I	52.7	Low	52.4	Low	137 Å²	137	124.9 Å²	124.9	70%	0.703	65%	0.645	S	S	*	*			trans	-70.5	65.6	167.7	-52.3	172	0	0	0	104.8	E307 D311 L312	E307-I309 PolarHBondContact O-N 3.32Å; E307-I309 VanDerWaalsContact O-N 3.17Å; I309-D311 PolarHBondContact O-N 3.04Å; I309-L312 HydrophobicContact CG2-CD1 4.15Å; I309-L312 HydrophobicContact CG2-CG 4.1Å
310	D	56.4	Low	53.2	Low	130 Å²	130	124.8 Å²	124.8	70%	0.695	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-3.6	178.4	-85.4	-11.7	0	0	0	110.3	Y308 L312	Y308-D310 VanDerWaalsContact CB-CG 3.45Å; Y308-D310 WeakPolarHBondContact CB-OD1 3.34Å; Y308-D310 PolarHBondContact O-N 2.98Å; D310-L312 VanDerWaalsContact C-N 3.3Å
311	D	62.3	Low	54.2	Low	141 Å²	141	128.7 Å²	128.7	75%	0.754	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-7.8	178.1	-67.2	-11.4	0	0	0	113.1	I309 T313	I309-D311 PolarHBondContact O-N 3.04Å; D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 PolarHBondContact O-N 2.93Å
312	L	59.6	Low	55.3	Low	78 Å²	78	124.9 Å²	124.9	41%	0.408	64%	0.644	S	S	.	*			trans	-76.4	91.9	170.9	-73.4	171	0	0	0	108.5	I309 D310 D316 I317	I309-L312 HydrophobicContact CG2-CD1 4.15Å; I309-L312 HydrophobicContact CG2-CG 4.1Å; D310-L312 VanDerWaalsContact C-N 3.3Å; L312-D316 HydrophobicContact CD2-CB 3.76Å; L312-I317 HydrophobicContact CB-CG1 4.21Å
313	T	63.2	Low	56.3	Low	56 Å²	56	124.4 Å²	124.4	34%	0.344	64%	0.642	S	S	.	*			trans	-62.4	156	169.1	72.8	0	0	0	0	109	D311 E315 D316 I317	D311-T313 VanDerWaalsContact C-N 3.34Å; D311-T313 PolarHBondContact O-N 2.93Å; T313-E315 WeakPolarHBondContact CB-OE2 3.43Å; T313-E315 PolarHBondContact O-N 3.2Å; T313-E315 PolarHBondContact OG1-N 3.45Å; T313-E315 PolarHBondContact OG1-OE2 3.21Å; T313-D316 WeakPolarHBondContact O-CB 3.45Å; T313-D316 PolarHBondContact O-N 2.81Å; T313-D316 PolarHBondContact OG1-N 3.24Å; T313-I317 PolarHBondContact O-N 3.27Å
314	P	59.4	Low	57.2	Low	104 Å²	104	120.8 Å²	120.8	68%	0.675	63%	0.628	S	S	*	*	H	α-helix	trans	-52.9	-27.1	172.9	-26.1	34.7	0	0	0	113	A318	P314-A318 WeakPolarHBondContact O-CB 3.33Å; P314-A318 PolarHBondContact O-N 3.03Å
315	E	64.6	Low	57.8	Low	142 Å²	142	121.3 Å²	121.3	66%	0.664	62%	0.624	S	S	*	*	H	α-helix	trans	-66.9	-38.4	173	-61	98	-170.2	0	0	112.9	T313 A318 K319	T313-E315 WeakPolarHBondContact CB-OE2 3.43Å; T313-E315 PolarHBondContact O-N 3.2Å; T313-E315 PolarHBondContact OG1-N 3.45Å; T313-E315 PolarHBondContact OG1-OE2 3.21Å; E315-A318 PolarHBondContact O-N 3.28Å; E315-K319 PolarHBondContact O-N 2.8Å; E315-K319 VanDerWaalsContact O-N 3.11Å
316	D	64.8	Low	58.3	Low	63 Å²	63	124.2 Å²	124.2	34%	0.337	62%	0.622	S	S	.	*	H	α-helix	trans	-67.7	-38.9	176.2	-72.5	-33.4	0	0	0	111.6	L312 T313 K319 Y320	L312-D316 HydrophobicContact CD2-CB 3.76Å; T313-D316 WeakPolarHBondContact O-CB 3.45Å; T313-D316 PolarHBondContact O-N 2.81Å; T313-D316 PolarHBondContact OG1-N 3.24Å; D316-K319 VanDerWaalsContact O-CB 3.22Å; D316-K319 WeakPolarHBondContact O-CB 3.37Å; D316-K319 PolarHBondContact O-N 2.75Å; D316-Y320 WeakPolarHBondContact O-CD2 3.12Å; D316-Y320 WeakPolarHBondContact O-CE2 3.45Å
317	I	60.9	Low	59.1	Low	103 Å²	103	125.3 Å²	125.3	53%	0.528	63%	0.628	S	S	.	*	H	α-helix	trans	-66.3	-41.6	175.9	-58	174.9	0	0	0	110.3	L312 T313 K319 Y320	L312-I317 HydrophobicContact CB-CG1 4.21Å; T313-I317 PolarHBondContact O-N 3.27Å; I317-K319 PolarHBondContact O-N 3.26Å; I317-Y320 PolarHBondContact O-N 2.9Å; I317-Y320 VanDerWaalsContact O-N 3.12Å
318	A	61.9	Low	59.7	Low	79 Å²	79	124 Å²	124	65%	0.653	63%	0.626	S	S	*	*	H	α-helix	trans	-63.2	-25	176.5	0	0	0	0	0	112.9	P314 E315 Y320	P314-A318 WeakPolarHBondContact O-CB 3.33Å; P314-A318 PolarHBondContact O-N 3.03Å; E315-A318 PolarHBondContact O-N 3.28Å; A318-Y320 PolarHBondContact O-N 2.8Å
319	K	62.7	Low	59.8	Low	169 Å²	169	122.2 Å²	122.2	74%	0.735	62%	0.622	S	S	*	*	H	α-helix	trans	-66.1	-25.9	176	-154.7	175.7	-175.7	178.1	0	112.7	E315 D316 I317 K321	E315-K319 PolarHBondContact O-N 2.8Å; E315-K319 VanDerWaalsContact O-N 3.11Å; D316-K319 VanDerWaalsContact O-CB 3.22Å; D316-K319 WeakPolarHBondContact O-CB 3.37Å; D316-K319 PolarHBondContact O-N 2.75Å; I317-K319 PolarHBondContact O-N 3.26Å; K319-K321 VanDerWaalsContact C-N 3.34Å; K319-K321 PolarHBondContact O-N 2.83Å; K319-K321 VanDerWaalsContact O-N 3.1Å
320	Y	55.8	Low	59.8	Low	180 Å²	180	122.5 Å²	122.5	71%	0.706	62%	0.623	S	S	*	*			trans	-85.4	76.7	175.9	-62.4	-78	0	0	0	110.5	D316 I317 A318 L322	D316-Y320 WeakPolarHBondContact O-CD2 3.12Å; D316-Y320 WeakPolarHBondContact O-CE2 3.45Å; I317-Y320 PolarHBondContact O-N 2.9Å; I317-Y320 VanDerWaalsContact O-N 3.12Å; A318-Y320 PolarHBondContact O-N 2.8Å; Y320-L322 PolarHBondContact O-N 3.09Å; Y320-L322 VanDerWaalsContact O-N 3.13Å
321	K	60.7	Low	59.6	Low	160 Å²	160	122.5 Å²	122.5	70%	0.696	63%	0.628	S	S	*	*			trans	-72	104.7	168.7	-168.5	-174.3	176.6	-151.6	0	108.7	K319 E323	K319-K321 VanDerWaalsContact C-N 3.34Å; K319-K321 PolarHBondContact O-N 2.83Å; K319-K321 VanDerWaalsContact O-N 3.1Å; K321-E323 HydrophobicContact CD-CG 4.26Å; K321-E323 HydrophobicContact CG-CG 4.3Å; K321-E323 IonicContact NZ-OE1 3.09Å; K321-E323 PolarHBondContact NZ-OE1 2.9Å; K321-E323 PolarHBondContact O-N 3.16Å; K321-E323 VanDerWaalsContact O-N 3.15Å
322	L	62.8	Low	59.1	Low	147 Å²	147	121.6 Å²	121.6	77%	0.77	62%	0.623	S	S	*	*			trans	-74.5	101.2	171.4	-165.2	85.3	0	0	0	108.4	Y320 I324	Y320-L322 PolarHBondContact O-N 3.09Å; Y320-L322 VanDerWaalsContact O-N 3.13Å; L322-I324 HydrophobicContact CD2-CD1 4.04Å; L322-I324 HydrophobicContact CD2-CG1 3.85Å; L322-I324 HydrophobicContact CG-CG1 4.3Å; L322-I324 PolarHBondContact O-N 2.89Å
323	E	61.4	Low	58.3	Low	149 Å²	149	128.4 Å²	128.4	70%	0.696	64%	0.643	S	S	*	*			trans	-81.6	102	171.1	-71.4	-171.7	164.8	0	0	109.4	K321	K321-E323 HydrophobicContact CD-CG 4.26Å; K321-E323 HydrophobicContact CG-CG 4.3Å; K321-E323 IonicContact NZ-OE1 3.09Å; K321-E323 PolarHBondContact NZ-OE1 2.9Å; K321-E323 PolarHBondContact O-N 3.16Å; K321-E323 VanDerWaalsContact O-N 3.15Å
324	I	62.8	Low	57.4	Low	100 Å²	100	129.4 Å²	129.4	51%	0.513	65%	0.651	S	S	.	*			trans	-83.8	113.9	168.6	-56.6	173.1	0	0	0	106.2	L322 M326 F329	L322-I324 HydrophobicContact CD2-CD1 4.04Å; L322-I324 HydrophobicContact CD2-CG1 3.85Å; L322-I324 HydrophobicContact CG-CG1 4.3Å; L322-I324 PolarHBondContact O-N 2.89Å; I324-M326 HydrophobicContact CG2-SD 4.05Å; I324-M326 PolarHBondContact O-N 3.47Å; I324-F329 HydrophobicContact CG2-CE2 3.78Å; I324-F329 HydrophobicContact CG2-CZ 4.45Å
325	N	56.5	Low	57	Low	94 Å²	94	132.1 Å²	132.1	50%	0.503	66%	0.658	S	S	.	*			trans	-66.8	103	172	-173.7	-12.1	0	0	0	108.9	D327	N325-D327 VanDerWaalsContact C-N 3.29Å; N325-D327 VanDerWaalsContact OD1-CB 3.27Å; N325-D327 WeakPolarHBondContact OD1-CB 3.36Å; N325-D327 PolarHBondContact OD1-N 2.97Å; N325-D327 PolarHBondContact OD1-OD2 3.09Å
326	M	52.9	Low	56.3	Low	124 Å²	124	131.9 Å²	131.9	61%	0.611	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-77	-15.5	-178.4	-69	-63.4	-68.2	0	0	112.8	I324 N328 F329	I324-M326 HydrophobicContact CG2-SD 4.05Å; I324-M326 PolarHBondContact O-N 3.47Å; M326-N328 PolarHBondContact O-N 3.08Å; M326-N328 VanDerWaalsContact O-N 3.09Å; M326-F329 PolarHBondContact O-N 3.25Å; M326-F329 HydrophobicContact SD-CD2 4.13Å; M326-F329 HydrophobicContact SD-CE2 4.47Å
327	D	64.8	Low	55.4	Low	146 Å²	146	134 Å²	134	78%	0.781	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-64.1	-21.8	-174.3	-58.7	-23	0	0	0	112.6	N325	N325-D327 VanDerWaalsContact C-N 3.29Å; N325-D327 VanDerWaalsContact OD1-CB 3.27Å; N325-D327 WeakPolarHBondContact OD1-CB 3.36Å; N325-D327 PolarHBondContact OD1-N 2.97Å; N325-D327 PolarHBondContact OD1-OD2 3.09Å
328	N	59.5	Low	54.6	Low	134 Å²	134	133.2 Å²	133.2	72%	0.717	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-95.4	-0.1	179.4	-70.4	-17.9	0	0	0	114.1	M326 I330	M326-N328 PolarHBondContact O-N 3.08Å; M326-N328 VanDerWaalsContact O-N 3.09Å; N328-I330 PolarHBondContact O-N 2.91Å
329	F	50.7	Low	53.9	Low	130 Å²	130	133.7 Å²	133.7	57%	0.57	67%	0.671	S	S	*	*			trans	-86.5	93	175.8	-78	-88.4	0	0	0	110.3	I324 M326 V331	I324-F329 HydrophobicContact CG2-CE2 3.78Å; I324-F329 HydrophobicContact CG2-CZ 4.45Å; M326-F329 PolarHBondContact O-N 3.25Å; M326-F329 HydrophobicContact SD-CD2 4.13Å; M326-F329 HydrophobicContact SD-CE2 4.47Å; F329-V331 PolarHBondContact O-N 3.1Å; F329-V331 VanDerWaalsContact O-N 3.14Å
330	I	52.1	Low	53.2	Low	144 Å²	144	131 Å²	131	74%	0.738	66%	0.663	S	S	*	*			trans	-71.4	106.2	162.9	-58.6	174.4	0	0	0	106.8	N328 D332	N328-I330 PolarHBondContact O-N 2.91Å; I330-D332 VanDerWaalsContact C-N 3.33Å; I330-D332 PolarHBondContact O-N 3.27Å; I330-D332 VanDerWaalsContact O-N 3.1Å
331	V	52.4	Low	52.8	Low	129 Å²	129	128.4 Å²	128.4	78%	0.782	66%	0.661	S	S	*	*			trans	-77.1	92.7	167.6	-176.6	0	0	0	0	106.5	F329 R333	F329-V331 PolarHBondContact O-N 3.1Å; F329-V331 VanDerWaalsContact O-N 3.14Å; V331-R333 PolarHBondContact O-N 3.02Å
332	D	51.6	Low	52	Low	123 Å²	123	124.4 Å²	124.4	66%	0.658	65%	0.653	S	S	*	*			trans	-56	118.2	169.7	-73.4	-30.4	0	0	0	107.8	I330	I330-D332 VanDerWaalsContact C-N 3.33Å; I330-D332 PolarHBondContact O-N 3.27Å; I330-D332 VanDerWaalsContact O-N 3.1Å
333	R	43.5	Very low	51.2	Low	220 Å²	220	120.2 Å²	120.2	83%	0.83	63%	0.633	S	S	*	*			trans	-52.8	130.7	166.2	-90.4	-177.9	174	169.1	-1	106.5	V331 I335	V331-R333 PolarHBondContact O-N 3.02Å; R333-I335 PolarHBondContact O-N 3.38Å
334	P	42.8	Very low	50.3	Low	78 Å²	78	116.3 Å²	116.3	51%	0.506	62%	0.621	S	S	.	*			trans	-55.1	112	178.6	22.3	-31.8	0	0	0	107.9	L336 L341	P334-L336 CarbonylContact C-O 3.56Å; P334-L336 PolarHBondContact O-N 2.93Å; P334-L341 HydrophobicContact CG-CD1 4.08Å
335	I	51.6	Low	49.4	Very low	161 Å²	161	118.4 Å²	118.4	83%	0.826	63%	0.633	S	S	*	*	S	Bend	trans	-63.6	-16.5	-173.1	-59.2	172	0	0	0	110.6	R333	R333-I335 PolarHBondContact O-N 3.38Å
336	L	50.5	Low	49	Very low	137 Å²	137	119.2 Å²	119.2	72%	0.717	65%	0.646	S	S	*	*	S	Bend	trans	-121.1	140.7	171.6	-72.2	157.3	0	0	0	108.1	P334 D338	P334-L336 CarbonylContact C-O 3.56Å; P334-L336 PolarHBondContact O-N 2.93Å; L336-D338 PolarHBondContact O-N 3.41Å
337	P	44.8	Very low	48.8	Very low	107 Å²	107	120.4 Å²	120.4	70%	0.695	65%	0.648	S	S	*	*			trans	-61.2	95.5	170.4	26.1	-31.7	0	0	0	107.3	P339	P337-P339 WeakPolarHBondContact O-CD 3.46Å; P337-P339 VanDerWaalsContact O-N 3.13Å
338	D	44.6	Very low	47.6	Very low	87 Å²	87	120.3 Å²	120.3	47%	0.465	64%	0.636	S	S	.	*			trans	-60.5	118.7	173.9	-134.7	-17.4	0	0	0	105.4	L336 I340 L341 S342	L336-D338 PolarHBondContact O-N 3.41Å; D338-I340 PolarHBondContact O-N 2.7Å; D338-L341 HydrophobicContact CB-CD1 4.3Å; D338-L341 HydrophobicContact CB-CG 4.35Å; D338-L341 PolarHBondContact O-N 3.21Å; D338-S342 PolarHBondContact O-N 3.12Å; D338-S342 VanDerWaalsContact O-N 3.11Å
339	P	47.4	Very low	46.8	Very low	89 Å²	89	121.2 Å²	121.2	58%	0.578	64%	0.636	S	S	*	*	H	α-helix	trans	-57.6	-27.2	-170.3	16.4	-28.2	0	0	0	111.9	P337 L341 S342	P337-P339 WeakPolarHBondContact O-CD 3.46Å; P337-P339 VanDerWaalsContact O-N 3.13Å; P339-L341 VanDerWaalsContact C-N 3.34Å; P339-L341 PolarHBondContact O-N 3.02Å; P339-S342 WeakPolarHBondContact CA-OG 3.38Å; P339-S342 PolarHBondContact O-N 3.07Å; P339-S342 PolarHBondContact O-OG 3.49Å
340	I	48.3	Very low	46.4	Very low	112 Å²	112	119.1 Å²	119.1	57%	0.574	64%	0.638	S	S	*	*	H	α-helix	trans	-64	-36	175.5	-55.7	177.5	0	0	0	112	D338 W348	D338-I340 PolarHBondContact O-N 2.7Å; I340-W348 HydrophobicContact CG2-CH2 4.38Å; I340-W348 HydrophobicContact CG2-CZ2 4.04Å
341	L	46.1	Very low	46.1	Very low	126 Å²	126	117.4 Å²	117.4	66%	0.66	63%	0.63	S	S	*	*	H	α-helix	trans	-86.9	-19.7	177.8	-61.9	177.3	0	0	0	112.9	P334 D338 P339 V343	P334-L341 HydrophobicContact CG-CD1 4.08Å; D338-L341 HydrophobicContact CB-CD1 4.3Å; D338-L341 HydrophobicContact CB-CG 4.35Å; D338-L341 PolarHBondContact O-N 3.21Å; P339-L341 VanDerWaalsContact C-N 3.34Å; P339-L341 PolarHBondContact O-N 3.02Å; L341-V343 PolarHBondContact O-N 3.01Å
342	S	45.2	Very low	45.6	Very low	76 Å²	76	118 Å²	118	53%	0.531	63%	0.629	S	S	.	*	H	α-helix	trans	-72.5	-18.3	177	75.1	0	0	0	0	113.4	D338 P339 P344	D338-S342 PolarHBondContact O-N 3.12Å; D338-S342 VanDerWaalsContact O-N 3.11Å; P339-S342 WeakPolarHBondContact CA-OG 3.38Å; P339-S342 PolarHBondContact O-N 3.07Å; P339-S342 PolarHBondContact O-OG 3.49Å; S342-P344 VanDerWaalsContact O-CD 3.28Å; S342-P344 WeakPolarHBondContact O-CD 3.36Å
343	V	44.9	Very low	45	Very low	58 Å²	58	119.9 Å²	119.9	35%	0.352	64%	0.638	S	S	.	*	S	Bend	trans	-91.9	107.9	176.8	-176.6	0	0	0	0	107.9	L341 L345 K347	L341-V343 PolarHBondContact O-N 3.01Å; V343-L345 PolarHBondContact O-N 3.47Å; V343-K347 HydrophobicContact CG1-CB 3.67Å; V343-K347 HydrophobicContact CG1-CD 4.49Å
344	P	42.7	Very low	44.6	Very low	67 Å²	67	114.8 Å²	114.8	44%	0.435	63%	0.627	S	S	.	*			trans	-55.5	139	174.7	21.7	-31.1	0	0	0	109.2	S342 S346 K347	S342-P344 VanDerWaalsContact O-CD 3.28Å; S342-P344 WeakPolarHBondContact O-CD 3.36Å; P344-S346 PolarHBondContact O-N 3.41Å; P344-K347 HydrophobicContact CG-CD 4.23Å; P344-K347 HydrophobicContact CG-CG 4.21Å; P344-K347 PolarHBondContact O-N 3.04Å
345	L	44.2	Very low	44.3	Very low	145 Å²	145	118.7 Å²	118.7	76%	0.759	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-51.8	-25.7	-178.4	-69.4	169.9	0	0	0	112.7	V343 K347 W348	V343-L345 PolarHBondContact O-N 3.47Å; L345-K347 PolarHBondContact O-N 3.36Å; L345-W348 WeakPolarHBondContact O-CB 3.23Å; L345-W348 PolarHBondContact O-N 3.1Å; L345-W348 VanDerWaalsContact O-N 3.11Å
346	S	48.2	Very low	43.4	Very low	111 Å²	111	113.9 Å²	113.9	78%	0.776	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-62.9	-17.8	173.8	58.9	0	0	0	0	115.3	P344	P344-S346 PolarHBondContact O-N 3.41Å
347	K	48.4	Very low	42.6	Very low	149 Å²	149	112 Å²	112	65%	0.648	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-95.6	-5.5	175.4	-73.6	-171.5	179.8	-176.4	0	113.7	V343 P344 L345 Q349	V343-K347 HydrophobicContact CG1-CB 3.67Å; V343-K347 HydrophobicContact CG1-CD 4.49Å; P344-K347 HydrophobicContact CG-CD 4.23Å; P344-K347 HydrophobicContact CG-CG 4.21Å; P344-K347 PolarHBondContact O-N 3.04Å; L345-K347 PolarHBondContact O-N 3.36Å; K347-Q349 VanDerWaalsContact C-N 3.3Å; K347-Q349 PolarHBondContact O-N 3.49Å
348	W	39.8	Very low	42	Very low	143 Å²	143	113.8 Å²	113.8	54%	0.542	64%	0.635	S	S	.	*	S	Bend	trans	-72.4	95.3	169.4	-69	63.5	0	0	0	106.2	I340 L345 S350	I340-W348 HydrophobicContact CG2-CH2 4.38Å; I340-W348 HydrophobicContact CG2-CZ2 4.04Å; L345-W348 WeakPolarHBondContact O-CB 3.23Å; L345-W348 PolarHBondContact O-N 3.1Å; L345-W348 VanDerWaalsContact O-N 3.11Å; W348-S350 PolarHBondContact O-N 3.23Å; W348-S350 VanDerWaalsContact O-N 3.16Å
349	Q	43	Very low	41.4	Very low	154 Å²	154	114.4 Å²	114.4	72%	0.72	65%	0.646	S	S	*	*			trans	-60.4	120.5	175.5	-73.7	-176.2	-43.7	0	0	107.5	K347 D351	K347-Q349 VanDerWaalsContact C-N 3.3Å; K347-Q349 PolarHBondContact O-N 3.49Å; Q349-D351 PolarHBondContact O-N 3.21Å
350	S	43.2	Very low	40.9	Very low	86 Å²	86	114.9 Å²	114.9	60%	0.601	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-59.2	-1.3	176.3	-47.6	0	0	0	0	113.9	W348 D352 L353	W348-S350 PolarHBondContact O-N 3.23Å; W348-S350 VanDerWaalsContact O-N 3.16Å; S350-D352 VanDerWaalsContact C-N 3.28Å; S350-D352 PolarHBondContact O-N 3.35Å; S350-L353 PolarHBondContact O-N 3.15Å
351	D	45.5	Very low	40.3	Very low	108 Å²	108	118.6 Å²	118.6	58%	0.578	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-68.5	-24.3	-177.3	-64.9	-17.2	0	0	0	112.6	Q349 L353 L354	Q349-D351 PolarHBondContact O-N 3.21Å; D351-L353 VanDerWaalsContact C-N 3.32Å; D351-L354 PolarHBondContact O-N 2.82Å
352	D	40.9	Very low	39.7	Very low	141 Å²	141	121.2 Å²	121.2	75%	0.754	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-79.7	-13.1	174.9	-76.7	-16.7	0	0	0	113.3	S350 L355	S350-D352 VanDerWaalsContact C-N 3.28Å; S350-D352 PolarHBondContact O-N 3.35Å; D352-L355 WeakPolarHBondContact O-CD1 3.25Å
353	L	40.4	Very low	38.9	Very low	162 Å²	162	125 Å²	125	85%	0.848	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-93.7	-4.1	172.9	-68.8	174.1	0	0	0	112.9	S350 D351 L355	S350-L353 PolarHBondContact O-N 3.15Å; D351-L353 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 2.78Å
354	L	34.5	Very low	38.5	Very low	113 Å²	113	129 Å²	129	59%	0.592	70%	0.696	S	S	*	*			trans	-86.2	34.6	172.2	-100.2	131.2	0	0	0	112.5	D351 G356	D351-L354 PolarHBondContact O-N 2.82Å; L354-G356 VanDerWaalsContact C-N 3.34Å; L354-G356 PolarHBondContact O-N 3.05Å; L354-G356 VanDerWaalsContact O-N 3.14Å
355	L	36.4	Very low	38.1	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	71%	0.712	S	S	*	*			trans	-76.2	87.6	156.7	-90.8	92.3	0	0	0	108.7	D352 L353	D352-L355 WeakPolarHBondContact O-CD1 3.25Å; L353-L355 PolarHBondContact O-N 2.78Å
356	G	32.9	Very low	37.5	Very low	61 Å²	61	133 Å²	133	63%	0.629	71%	0.705	S	S	*	*	S	Bend	trans	167.1	-21.7	158.3	0	0	0	0	0	120	L354	L354-G356 VanDerWaalsContact C-N 3.34Å; L354-G356 PolarHBondContact O-N 3.05Å; L354-G356 VanDerWaalsContact O-N 3.14Å
357	S	32.7	Very low	36.8	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	70%	0.696	S	S	*	*	S	Bend	trans	-83.2	-17.8	-165	-43.9	0	0	0	0	115.7
358	D	33	Very low	36.1	Very low	145 Å²	145	134.2 Å²	134.2	78%	0.775	71%	0.705	S	S	*	*			trans	-126.7	60.9	-175	-74.2	-31	0	0	0	112.9	S360	D358-S360 PolarHBondContact O-N 3.47Å
359	S	33.1	Very low	35.6	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	3.2	178	61.5	0	0	0	0	114.8
360	S	35.9	Very low	34.9	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-11.4	-174	68.2	0	0	0	0	116	D358	D358-S360 PolarHBondContact O-N 3.47Å
361	K	34.9	Very low	34.2	Very low	190 Å²	190	139.4 Å²	139.4	83%	0.826	73%	0.725	S	S	*	*	S	Bend	trans	-116.3	3.9	-175.2	-71.4	-172.6	-179.5	176.4	0	116.9
362	K	33.5	Very low	33.2	Very low	180 Å²	180	140.1 Å²	140.1	78%	0.783	74%	0.737	S	S	*	*	S	Bend	trans	-104.4	1	175.9	-85.7	-175.7	179.4	174.4	0	115.4	D364 K365	K362-D364 PolarHBondContact O-N 3.13Å; K362-D364 VanDerWaalsContact O-N 3.15Å; K362-K365 PolarHBondContact O-N 2.77Å
363	F	29.3	Very low	32.5	Very low	157 Å²	157	145 Å²	145	69%	0.689	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-13	179.6	-111.8	-84	0	0	0	114.8	T367	F363-T367 PolarHBondContact O-OG1 2.85Å
364	D	35.8	Very low	32	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.5	179.9	-75	-21.3	0	0	0	115.2	K362	K362-D364 PolarHBondContact O-N 3.13Å; K362-D364 VanDerWaalsContact O-N 3.15Å
365	K	35	Very low	31.6	Very low	181 Å²	181	145.2 Å²	145.2	79%	0.787	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-17.6	177.6	-86.1	-173.6	177.1	-178.9	0	114.6	K362	K362-K365 PolarHBondContact O-N 2.77Å
366	L	31.2	Very low	31	Very low	117 Å²	117	143.4 Å²	143.4	61%	0.613	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-21.8	-179.7	-79.8	167	0	0	0	113.9	K368 F369	L366-K368 PolarHBondContact O-N 3.15Å; L366-F369 PolarHBondContact O-N 2.77Å
367	T	34.2	Very low	30.7	Very low	94 Å²	94	147.7 Å²	147.7	58%	0.577	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-69.5	-18.3	177.6	24.6	0	0	0	0	113.8	F363 F369	F363-T367 PolarHBondContact O-OG1 2.85Å; T367-F369 VanDerWaalsContact C-N 3.27Å; T367-F369 PolarHBondContact O-N 3.22Å
368	K	32.3	Very low	30.5	Very low	191 Å²	191	151.3 Å²	151.3	83%	0.83	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-72.4	-15.2	173.4	-82.8	-172.8	177.5	-179.8	0	114.3	L366	L366-K368 PolarHBondContact O-N 3.15Å
369	F	30.4	Very low	30.2	Very low	163 Å²	163	154.7 Å²	154.7	72%	0.715	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-88.6	-8	179	-76.5	-78.4	0	0	0	114.5	L366 T367	L366-F369 PolarHBondContact O-N 2.77Å; T367-F369 VanDerWaalsContact C-N 3.27Å; T367-F369 PolarHBondContact O-N 3.22Å
370	F	28.6	Very low	29.8	Very low	181 Å²	181	156.9 Å²	156.9	79%	0.794	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	13.1	-174	-87.4	-77.1	0	0	0	116.3
371	N	27.1	Very low	29.4	Very low	147 Å²	147	160.6 Å²	160.6	79%	0.786	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	20.6	177.9	-104.9	-9.7	0	0	0	115.5	R373	N371-R373 VanDerWaalsContact C-N 3.29Å; N371-R373 PolarHBondContact O-N 3.49Å; N371-R373 VanDerWaalsContact O-N 3.11Å
372	C	25.1	Very low	29.1	Very low	123 Å²	123	159.6 Å²	159.6	83%	0.831	77%	0.766	S	S	*	*			trans	-87.1	62.4	173.3	-65	0	0	0	0	111.7
373	R	27.5	Very low	29.4	Very low	243 Å²	243	155.8 Å²	155.8	92%	0.917	76%	0.76	S	S	*	*			trans	-98.1	12.5	168.4	-124.7	-176.6	-169.3	-158.5	3.8	113.3	N371	N371-R373 VanDerWaalsContact C-N 3.29Å; N371-R373 PolarHBondContact O-N 3.49Å; N371-R373 VanDerWaalsContact O-N 3.11Å
374	S	28	Very low	29.2	Very low	91 Å²	91	160.1 Å²	160.1	64%	0.636	77%	0.772	S	S	*	*			trans	-128	53.9	-173.1	62	0	0	0	0	112.9
375	F	27.1	Very low	29	Very low	190 Å²	190	159 Å²	159	83%	0.833	78%	0.775	S	S	*	*			trans	-146.4	48.6	164.9	-97	-76.3	0	0	0	111.2
376	T	24.3	Very low	28.5	Very low	121 Å²	121	157.4 Å²	157.4	74%	0.742	77%	0.774	S	S	*	*	S	Bend	trans	-122.1	94.7	161.7	48	0	0	0	0	106.8
377	N	25.2	Very low	28.5	Very low	151 Å²	151	159.6 Å²	159.6	81%	0.807	79%	0.787	S	S	*	*			trans	166.3	13	148.3	-85	-13.8	0	0	0	117.4
378	E	28.7	Very low	28.1	Very low	173 Å²	173	161.7 Å²	161.7	81%	0.808	79%	0.79	S	S	*	*			trans	-92	0.3	-177.6	-111.4	-173.7	174.6	0	0	117.1	Q380	E378-Q380 PolarHBondContact O-N 3.35Å
379	F	26.4	Very low	27.9	Very low	216 Å²	216	160.7 Å²	160.7	95%	0.947	79%	0.787	S	S	*	*			trans	-101.3	56.2	172.4	-73.2	-77.3	0	0	0	112.3
380	Q	26.3	Very low	27.6	Very low	147 Å²	147	162.8 Å²	162.8	69%	0.687	79%	0.792	S	S	*	*			trans	-135.8	113.3	163.4	-80.4	-169.1	5.7	0	0	111.3	E378	E378-Q380 PolarHBondContact O-N 3.35Å
381	K	26.5	Very low	27.7	Very low	176 Å²	176	161.5 Å²	161.5	77%	0.765	79%	0.789	S	S	*	*			trans	73.1	112.7	146.8	-64.1	176	-178.5	174.4	0	115
382	Q	28	Very low	27.6	Very low	169 Å²	169	162.2 Å²	162.2	79%	0.79	79%	0.787	S	S	*	*				157.9	-179.1	66.4	-86.1	-115.9	-8.8	0	0	106.7
383	P	40.1	Very low	28	Very low	101 Å²	101	164.9 Å²	164.9	66%	0.656	79%	0.787	S	S	*	*				-128.6	173.8	-58.9	37.4	-20.1	0	0	0	112.3	S385	P383-S385 PolarHBondContact O-N 2.91Å
384	R	25.4	Very low	28	Very low	248 Å²	248	161.4 Å²	161.4	94%	0.936	78%	0.781	S	S	*	*			trans	-47.7	118	170.4	-66.6	169.1	174.4	144.3	-2.2	112.3
385	S	30.9	Very low	27.8	Very low	117 Å²	117	166.7 Å²	166.7	82%	0.818	79%	0.787	S	S	*	*			trans	-111.2	99.7	155.9	58.2	0	0	0	0	108.9	P383	P383-S385 PolarHBondContact O-N 2.91Å
386	L	25.7	Very low	28.1	Very low	147 Å²	147	162.8 Å²	162.8	77%	0.77	78%	0.781	S	S	*	*			trans	-84.4	111.9	166	-159.4	109	0	0	0	105.7
387	N	30.3	Very low	28.2	Very low	163 Å²	163	162.6 Å²	162.6	87%	0.872	77%	0.771	S	S	*	*			trans	-143.2	119.6	163.9	-111	-22.9	0	0	0	111
388	H	26.8	Very low	28.5	Very low	138 Å²	138	164.1 Å²	164.1	64%	0.639	77%	0.773	S	S	*	*			trans	-62.9	137.9	179.8	-67.7	-91	0	0	0	111.7
389	H	27.2	Very low	28.5	Very low	170 Å²	170	162.6 Å²	162.6	79%	0.787	77%	0.765	S	S	*	*			trans	-153.5	83.5	142.9	-111.6	70.9	0	0	0	109.4	Q391	H389-Q391 PolarHBondContact O-N 2.93Å
390	Y	25	Very low	28.5	Very low	207 Å²	207	161.9 Å²	161.9	81%	0.812	76%	0.758	S	S	*	*			trans	-78.4	100.7	162.6	-92.9	-93.2	0	0	0	107.6
391	Q	30	Very low	28.8	Very low	154 Å²	154	164.9 Å²	164.9	72%	0.72	77%	0.765	S	S	*	*			trans	-90	105	164.9	-86.2	-172.8	-20.4	0	0	109.2	H389 Q393	H389-Q391 PolarHBondContact O-N 2.93Å; Q391-Q393 PolarHBondContact O-N 3Å
392	H	26	Very low	28.8	Very low	161 Å²	161	164.4 Å²	164.4	75%	0.745	77%	0.77	S	S	*	*			trans	-64.3	105.3	165.1	-79.8	-82	0	0	0	109.3
393	Q	33.2	Very low	28.9	Very low	179 Å²	179	164.4 Å²	164.4	84%	0.836	77%	0.77	S	S	*	*			trans	-89.2	120.2	164	-69.7	-140.8	-13.7	0	0	109.8	Q391	Q391-Q393 PolarHBondContact O-N 3Å
394	H	27.8	Very low	28.7	Very low	170 Å²	170	164.5 Å²	164.5	79%	0.787	77%	0.771	S	S	*	*			trans	-70.2	138.6	-174.3	-75.1	-100.5	0	0	0	112.2
395	R	22.8	Very low	28.8	Very low	202 Å²	202	159.1 Å²	159.1	76%	0.762	76%	0.76	S	S	*	*			trans	-33.5	140.1	158.3	-110.3	171.4	172.2	168.9	0.3	113.6	H397	R395-H397 VanDerWaalsContact CZ-CD2 3.41Å; R395-H397 VanDerWaalsContact CZ-NE2 3.26Å; R395-H397 PolarHBondContact NE-CD2 3.25Å; R395-H397 PolarHBondContact NE-NE2 3.1Å; R395-H397 PolarHBondContact NH2-NE2 3.35Å
396	P	34.4	Very low	28.9	Very low	109 Å²	109	161.4 Å²	161.4	71%	0.708	76%	0.763	S	S	*	*				-120.4	115.8	126.4	-0	20.7	0	0	0	110.5	H398	P396-H398 PolarHBondContact O-N 3.23Å
397	H	24.5	Very low	29.1	Very low	117 Å²	117	164.5 Å²	164.5	54%	0.542	77%	0.765	S	S	.	*			trans	-68.9	100.9	166	-109.7	-78.4	0	0	0	108.2	R395 H399	R395-H397 VanDerWaalsContact CZ-CD2 3.41Å; R395-H397 VanDerWaalsContact CZ-NE2 3.26Å; R395-H397 PolarHBondContact NE-CD2 3.25Å; R395-H397 PolarHBondContact NE-NE2 3.1Å; R395-H397 PolarHBondContact NH2-NE2 3.35Å; H397-H399 PolarHBondContact O-N 2.93Å
398	H	33.2	Very low	29.2	Very low	183 Å²	183	167.1 Å²	167.1	85%	0.847	76%	0.764	S	S	*	*			trans	-87	107.6	165.7	-93	-66.8	0	0	0	110.1	P396	P396-H398 PolarHBondContact O-N 3.23Å
399	H	27.4	Very low	29.3	Very low	140 Å²	140	168.7 Å²	168.7	65%	0.648	77%	0.771	S	S	*	*			trans	-73.4	143.6	174.6	-97.3	-61.4	0	0	0	111.8	H397	H397-H399 PolarHBondContact O-N 2.93Å
400	Y	26.1	Very low	29.8	Very low	202 Å²	202	165.1 Å²	165.1	79%	0.792	76%	0.763	S	S	*	*			trans	66.1	112.5	155.4	-76.9	-108.2	0	0	0	118.2
401	Y	33.2	Very low	30.4	Very low	210 Å²	210	161.1 Å²	161.1	82%	0.824	76%	0.762	S	S	*	*				-168.5	99.9	115.7	-104.6	-77.1	0	0	0	108.8	H403	Y401-H403 PolarHBondContact O-N 3.1Å
402	N	27.4	Very low	30.5	Very low	165 Å²	165	162.4 Å²	162.4	88%	0.882	77%	0.768	S	S	*	*			trans	-71.5	113.5	162	-85.4	-37.9	0	0	0	107.5
403	H	29.8	Very low	30.8	Very low	169 Å²	169	163.6 Å²	163.6	78%	0.782	77%	0.774	S	S	*	*			trans	-96.6	120.2	163.8	-103.3	41.9	0	0	0	109.1	Y401	Y401-H403 PolarHBondContact O-N 3.1Å
404	P	35.1	Very low	30.7	Very low	104 Å²	104	164.8 Å²	164.8	68%	0.675	78%	0.776	S	S	*	*			trans	-83	142.5	178.6	31.9	-30.6	0	0	0	111.5
405	N	28.9	Very low	31	Very low	135 Å²	135	165.2 Å²	165.2	72%	0.722	78%	0.778	S	S	*	*			trans	56.3	79.8	148	-63.3	-23.4	0	0	0	118.3
406	N	31.4	Very low	31.5	Very low	164 Å²	164	161 Å²	161	88%	0.877	78%	0.777	S	S	*	*			trans	-98.7	96.1	147.8	-86.9	-20.6	0	0	0	109.9	Y408	N406-Y408 PolarHBondContact O-N 3.43Å
407	R	30.2	Very low	31.3	Very low	213 Å²	213	164 Å²	164	80%	0.804	78%	0.782	S	S	*	*			trans	-63.4	105	163.4	-68.7	172.8	-179.8	164.8	-1	108.5
408	Y	31.9	Very low	31.6	Very low	217 Å²	217	166.3 Å²	166.3	85%	0.851	79%	0.79	S	S	*	*			trans	-130	95.1	156.4	-99.7	-90.8	0	0	0	108	N406	N406-Y408 PolarHBondContact O-N 3.43Å
409	H	29.9	Very low	31.4	Very low	172 Å²	172	164.3 Å²	164.3	80%	0.796	79%	0.786	S	S	*	*			trans	-78	125.8	168.1	-79.7	-74.7	0	0	0	109
410	P	37.1	Very low	31.6	Very low	95 Å²	95	167.1 Å²	167.1	62%	0.617	79%	0.792	S	S	*	*			trans	-75.8	142.4	158.6	5.9	9.4	0	0	0	109.6	H412	P410-H412 PolarHBondContact O-N 3.36Å
411	P	37.3	Very low	31.8	Very low	122 Å²	122	162.4 Å²	162.4	79%	0.792	79%	0.788	S	S	*	*			trans	-76.4	105.5	179.1	28.3	-26.7	0	0	0	109.5	H413	P411-H413 PolarHBondContact O-N 3Å; P411-H413 VanDerWaalsContact O-N 3.13Å
412	H	33.9	Very low	31.5	Very low	181 Å²	181	160.6 Å²	160.6	84%	0.838	79%	0.793	S	S	*	*			trans	-68.5	109.7	168.9	-85.6	-79.6	0	0	0	109.5	P410 K414	P410-H412 PolarHBondContact O-N 3.36Å; H412-K414 PolarHBondContact O-N 2.65Å
413	H	31.7	Very low	31.6	Very low	186 Å²	186	156.1 Å²	156.1	86%	0.861	78%	0.779	S	S	*	*			trans	-53.2	118	170.6	-100.6	-81.5	0	0	0	110.5	P411 Q415	P411-H413 PolarHBondContact O-N 3Å; P411-H413 VanDerWaalsContact O-N 3.13Å; H413-Q415 PolarHBondContact O-N 2.67Å; H413-Q415 VanDerWaalsContact O-N 3.11Å
414	K	31.5	Very low	31.5	Very low	204 Å²	204	156.8 Å²	156.8	89%	0.887	78%	0.782	S	S	*	*			trans	-63.6	103.8	170.8	-66.8	177.5	178.1	179.4	0	108.8	H412	H412-K414 PolarHBondContact O-N 2.65Å
415	Q	33	Very low	31.1	Very low	179 Å²	179	162 Å²	162	84%	0.836	79%	0.79	S	S	*	*			trans	-78.5	128.4	160.2	-82.7	-169.5	-10	0	0	108.7	H413 Q417	H413-Q415 PolarHBondContact O-N 2.67Å; H413-Q415 VanDerWaalsContact O-N 3.11Å; Q415-Q417 PolarHBondContact O-N 3.24Å
416	P	32.6	Very low	31.1	Very low	113 Å²	113	161.9 Å²	161.9	73%	0.734	79%	0.794	S	S	*	*			trans	-69.5	120.3	-178.5	25.9	-30.7	0	0	0	110.1	K418	P416-K418 PolarHBondContact O-N 2.88Å
417	Q	31.7	Very low	31	Very low	173 Å²	173	162.4 Å²	162.4	81%	0.808	79%	0.791	S	S	*	*			trans	-62.1	103.4	165.8	-72	-166.3	-19.4	0	0	108.4	Q415 N419	Q415-Q417 PolarHBondContact O-N 3.24Å; Q417-N419 PolarHBondContact O-N 2.72Å; Q417-N419 VanDerWaalsContact O-N 3.08Å
418	K	30.6	Very low	31	Very low	165 Å²	165	160.2 Å²	160.2	72%	0.717	80%	0.795	S	S	*	*			trans	-72.1	98.5	165.2	-78.5	-176.3	177.5	-180	0	107.4	P416 Y420	P416-K418 PolarHBondContact O-N 2.88Å; K418-Y420 HydrophobicContact CB-CE2 4.2Å; K418-Y420 PolarHBondContact O-N 3.22Å
419	N	28.7	Very low	30.5	Very low	141 Å²	141	160.6 Å²	160.6	75%	0.754	80%	0.796	S	S	*	*			trans	-58.6	99.6	165.3	-70.4	-33.9	0	0	0	108.4	Q417 S421	Q417-N419 PolarHBondContact O-N 2.72Å; Q417-N419 VanDerWaalsContact O-N 3.08Å; N419-S421 VanDerWaalsContact C-N 3.34Å; N419-S421 PolarHBondContact O-N 2.93Å; N419-S421 VanDerWaalsContact O-N 3.16Å
420	Y	31.7	Very low	30.4	Very low	200 Å²	200	160.3 Å²	160.3	78%	0.784	80%	0.801	S	S	*	*			trans	-76.7	97.1	159.7	-76.1	-83.9	0	0	0	106.8	K418 N422	K418-Y420 HydrophobicContact CB-CE2 4.2Å; K418-Y420 PolarHBondContact O-N 3.22Å; Y420-N422 PolarHBondContact O-N 3.21Å
421	S	29.3	Very low	29.9	Very low	102 Å²	102	161.8 Å²	161.8	71%	0.713	81%	0.813	S	S	*	*			trans	-62.1	117.1	168.9	47.5	0	0	0	0	109.4	N419 A423	N419-S421 VanDerWaalsContact C-N 3.34Å; N419-S421 PolarHBondContact O-N 2.93Å; N419-S421 VanDerWaalsContact O-N 3.16Å; S421-A423 VanDerWaalsContact C-N 3.35Å; S421-A423 PolarHBondContact O-N 3.28Å
422	N	28.8	Very low	29.5	Very low	173 Å²	173	160.8 Å²	160.8	93%	0.925	81%	0.809	S	S	*	*			trans	-64.7	91.1	164.2	-77.9	-27.5	0	0	0	109.3	Y420	Y420-N422 PolarHBondContact O-N 3.21Å
423	A	28.3	Very low	29.2	Very low	71 Å²	71	163.8 Å²	163.8	59%	0.587	81%	0.813	S	S	*	*			trans	-152.9	136.7	167	0	0	0	0	0	108.8	S421	S421-A423 VanDerWaalsContact C-N 3.35Å; S421-A423 PolarHBondContact O-N 3.28Å
424	H	28.6	Very low	29.1	Very low	182 Å²	182	163.8 Å²	163.8	84%	0.843	81%	0.81	S	S	*	*			trans	84.2	77.8	-177.8	-60.2	-86.4	0	0	0	116.7
425	Y	26.2	Very low	28.8	Very low	215 Å²	215	161.9 Å²	161.9	84%	0.843	81%	0.805	S	S	*	*				-162	67.8	120.9	-127.6	-94.7	0	0	0	111.2
426	T	27.7	Very low	28.9	Very low	132 Å²	132	159 Å²	159	81%	0.81	80%	0.801	S	S	*	*			trans	-105.6	96.8	156.4	44.5	0	0	0	0	106.2
427	Q	30.3	Very low	28.8	Very low	174 Å²	174	160 Å²	160	81%	0.813	81%	0.805	S	S	*	*			trans	-173.5	65.5	159.3	-82.6	-120.7	30.1	0	0	110
428	L	29.2	Very low	28.7	Very low	168 Å²	168	162 Å²	162	88%	0.88	81%	0.805	S	S	*	*			trans	-149.1	51.4	153.1	-77.5	-175.6	0	0	0	109.2
429	Y	23.1	Very low	28.8	Very low	225 Å²	225	159.9 Å²	159.9	88%	0.882	81%	0.808	S	S	*	*			trans	-103.2	98.5	155.1	-96.4	-88.8	0	0	0	105.8
430	N	27.4	Very low	28.6	Very low	166 Å²	166	160.5 Å²	160.5	89%	0.888	81%	0.811	S	S	*	*			trans	179.9	66.3	154.8	-89.6	-19.4	0	0	0	109.7
431	S	26.6	Very low	28.6	Very low	126 Å²	126	157.3 Å²	157.3	88%	0.881	81%	0.808	S	S	*	*	S	Bend	trans	-131.8	93.5	155.6	-91.9	0	0	0	0	108.6	R433	S431-R433 PolarHBondContact O-N 2.86Å
432	S	29.4	Very low	28.5	Very low	100 Å²	100	162.6 Å²	162.6	70%	0.699	82%	0.818	S	S	*	*			trans	-0.8	98.1	159.7	-164.8	0	0	0	0	115	K434	S432-K434 PolarHBondContact O-N 2.65Å
433	R	26.2	Very low	28.6	Very low	245 Å²	245	160.4 Å²	160.4	93%	0.925	81%	0.805	S	S	*	*			trans	-61.1	87.6	159.8	-130.1	-176.3	-164.9	-179.2	3.4	107.3	S431 E435	S431-R433 PolarHBondContact O-N 2.86Å; R433-E435 VanDerWaalsContact C-N 3.27Å; R433-E435 PolarHBondContact O-N 2.87Å; R433-E435 VanDerWaalsContact O-N 3.11Å
434	K	29.4	Very low	28.4	Very low	185 Å²	185	168.1 Å²	168.1	80%	0.804	82%	0.819	S	S	*	*			trans	-79	88.7	162.8	-79.5	-172.5	177.3	179.3	0	107	S432 P436	S432-K434 PolarHBondContact O-N 2.65Å; K434-P436 VanDerWaalsContact O-CD 3.31Å; K434-P436 WeakPolarHBondContact O-CD 3.1Å
435	E	26.8	Very low	28.4	Very low	165 Å²	165	164.8 Å²	164.8	77%	0.771	81%	0.808	S	S	*	*			trans	-58.2	117.9	169	-147.4	176.5	-160.7	0	0	107.9	R433 V437	R433-E435 VanDerWaalsContact C-N 3.27Å; R433-E435 PolarHBondContact O-N 2.87Å; R433-E435 VanDerWaalsContact O-N 3.11Å; E435-V437 PolarHBondContact O-N 3.09Å
436	P	34.5	Very low	28.4	Very low	118 Å²	118	160.2 Å²	160.2	77%	0.766	81%	0.807	S	S	*	*			trans	-69.8	101.6	176.4	25.6	-30	0	0	0	108.2	K434 R438	K434-P436 VanDerWaalsContact O-CD 3.31Å; K434-P436 WeakPolarHBondContact O-CD 3.1Å; P436-R438 PolarHBondContact O-N 2.74Å
437	V	31	Very low	28.5	Very low	133 Å²	133	163.9 Å²	163.9	81%	0.806	81%	0.807	S	S	*	*			trans	-54.2	111.4	169.9	176.1	0	0	0	0	107.7	E435 P439	E435-V437 PolarHBondContact O-N 3.09Å; V437-P439 WeakPolarHBondContact O-CD 3.47Å
438	R	29.9	Very low	28.4	Very low	216 Å²	216	160.8 Å²	160.8	82%	0.815	81%	0.805	S	S	*	*			trans	-56.7	124.2	173	-90.2	-178.6	173.9	149.5	-1.1	109	P436 N440	P436-R438 PolarHBondContact O-N 2.74Å; R438-N440 PolarHBondContact O-N 3Å
439	P	31	Very low	28.3	Very low	121 Å²	121	156.7 Å²	156.7	79%	0.786	79%	0.79	S	S	*	*			trans	-68.9	100.3	171.2	25.3	-29.8	0	0	0	109.3	V437 N441	V437-P439 WeakPolarHBondContact O-CD 3.47Å; P439-N441 PolarHBondContact O-N 3.4Å; P439-N441 VanDerWaalsContact O-N 3.1Å
440	N	26.1	Very low	28.4	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	78%	0.783	S	S	*	*			trans	-77.7	69.8	165.2	-95.5	-22.7	0	0	0	109.3	R438	R438-N440 PolarHBondContact O-N 3Å
441	N	31	Very low	28.3	Very low	133 Å²	133	150.5 Å²	150.5	71%	0.711	78%	0.776	S	S	*	*			trans	-114.7	91.9	166.7	-80.6	-6	0	0	0	109.5	P439 I443	P439-N441 PolarHBondContact O-N 3.4Å; P439-N441 VanDerWaalsContact O-N 3.1Å; N441-I443 VanDerWaalsContact C-N 3.32Å; N441-I443 PolarHBondContact O-N 3.25Å; N441-I443 VanDerWaalsContact O-N 3.09Å
442	K	27.6	Very low	28.3	Very low	213 Å²	213	151.8 Å²	151.8	93%	0.926	77%	0.773	S	S	*	*			trans	-62	96.7	151.8	-75.3	174.4	176.8	175.1	0	107.1
443	I	29.5	Very low	28.1	Very low	128 Å²	128	151.9 Å²	151.9	66%	0.656	77%	0.77	S	S	*	*			trans	-118.3	118	157.6	-59.3	179.8	0	0	0	106.8	N441 D445	N441-I443 VanDerWaalsContact C-N 3.32Å; N441-I443 PolarHBondContact O-N 3.25Å; N441-I443 VanDerWaalsContact O-N 3.09Å; I443-D445 VanDerWaalsContact CG2-OD2 3.25Å; I443-D445 WeakPolarHBondContact CG2-OD2 3.37Å
444	R	25.1	Very low	28.2	Very low	232 Å²	232	149.3 Å²	149.3	88%	0.875	76%	0.76	S	S	*	*			trans	-104.6	77.5	-170.2	-177	-169.5	-167.5	-175.9	2.9	105.8
445	D	28.5	Very low	28	Very low	113 Å²	113	148 Å²	148	60%	0.604	76%	0.757	S	S	*	*			trans	-113.6	99.7	174.5	-68.8	-30.9	0	0	0	110.2	I443 Y447	I443-D445 VanDerWaalsContact CG2-OD2 3.25Å; I443-D445 WeakPolarHBondContact CG2-OD2 3.37Å; D445-Y447 HydrophobicContact CB-CD2 4Å; D445-Y447 HydrophobicContact CB-CE2 3.77Å; D445-Y447 PolarHBondContact O-N 3.12Å
446	S	26.6	Very low	27.9	Very low	118 Å²	118	149 Å²	149	83%	0.825	76%	0.755	S	S	*	*			trans	-59.4	91.3	163.1	-47.2	0	0	0	0	109.1
447	Y	30.2	Very low	27.4	Very low	210 Å²	210	150.9 Å²	150.9	82%	0.824	75%	0.753	S	S	*	*			trans	-90.5	111.7	162.1	-79.1	-79	0	0	0	109.6	D445	D445-Y447 HydrophobicContact CB-CD2 4Å; D445-Y447 HydrophobicContact CB-CE2 3.77Å; D445-Y447 PolarHBondContact O-N 3.12Å
448	S	26.5	Very low	27.2	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	75%	0.753	S	S	*	*			trans	-46.5	143.7	-179.2	-163.9	0	0	0	0	113.1	G450	S448-G450 PolarHBondContact O-N 3.1Å
449	S	27.5	Very low	27.1	Very low	82 Å²	82	147.6 Å²	147.6	57%	0.573	75%	0.752	S	S	*	*			trans	-60.5	105.4	171.8	80.9	0	0	0	0	109.4	Y451	S449-Y451 VanDerWaalsContact C-N 3.33Å; S449-Y451 PolarHBondContact O-N 3.37Å; S449-Y451 VanDerWaalsContact O-N 3.14Å; S449-Y451 WeakPolarHBondContact OG-CD2 3.36Å; S449-Y451 WeakPolarHBondContact OG-CE2 3.22Å
450	G	25.5	Very low	26.8	Very low	70 Å²	70	150.3 Å²	150.3	72%	0.722	76%	0.755	S	S	*	*			trans	-81.3	84.1	170.8	0	0	0	0	0	108.5	S448 N452	S448-G450 PolarHBondContact O-N 3.1Å; G450-N452 VanDerWaalsContact C-N 3.29Å; G450-N452 PolarHBondContact O-N 2.95Å
451	Y	25.3	Very low	27	Very low	191 Å²	191	151.3 Å²	151.3	75%	0.749	75%	0.754	S	S	*	*			trans	-63.5	93.5	163.7	-73.7	-83	0	0	0	108.3	S449 T453	S449-Y451 VanDerWaalsContact C-N 3.33Å; S449-Y451 PolarHBondContact O-N 3.37Å; S449-Y451 VanDerWaalsContact O-N 3.14Å; S449-Y451 WeakPolarHBondContact OG-CD2 3.36Å; S449-Y451 WeakPolarHBondContact OG-CE2 3.22Å; Y451-T453 PolarHBondContact O-N 2.91Å
452	N	27	Very low	26.9	Very low	152 Å²	152	152 Å²	152	81%	0.813	76%	0.758	S	S	*	*			trans	-88.3	73.5	160.2	-86.1	-23	0	0	0	108.2	G450 R454	G450-N452 VanDerWaalsContact C-N 3.29Å; G450-N452 PolarHBondContact O-N 2.95Å; N452-R454 PolarHBondContact O-N 3.03Å
453	T	24.8	Very low	26.7	Very low	103 Å²	103	152 Å²	152	63%	0.632	76%	0.758	S	S	*	*			trans	-67.5	83.7	161.6	-31.5	0	0	0	0	106.8	Y451 Q455	Y451-T453 PolarHBondContact O-N 2.91Å; T453-Q455 HydrophobicContact CG2-CG 4.16Å; T453-Q455 PolarHBondContact O-N 2.89Å
454	R	28.5	Very low	26.6	Very low	191 Å²	191	151.9 Å²	151.9	72%	0.721	76%	0.763	S	S	*	*			trans	-73.3	84.7	164.5	-78.7	-166.4	177	-163.8	1.3	107.6	N452 Y456	N452-R454 PolarHBondContact O-N 3.03Å; R454-Y456 HydrophobicContact CB-CD2 4.37Å; R454-Y456 HydrophobicContact CB-CE2 4.01Å; R454-Y456 PolarHBondContact NH1-OH 3.16Å; R454-Y456 PolarHBondContact O-N 3.02Å; R454-Y456 VanDerWaalsContact O-N 3.09Å
455	Q	24.9	Very low	26.5	Very low	158 Å²	158	152.1 Å²	152.1	74%	0.738	76%	0.764	S	S	*	*			trans	-60.6	100.4	159.5	-69.2	-175	-17.7	0	0	107.3	T453 Q457	T453-Q455 HydrophobicContact CG2-CG 4.16Å; T453-Q455 PolarHBondContact O-N 2.89Å; Q455-Q457 PolarHBondContact O-N 3.48Å
456	Y	24.5	Very low	26.3	Very low	186 Å²	186	152.9 Å²	152.9	73%	0.729	78%	0.777	S	S	*	*			trans	-78.1	102	159	-75.9	-81.8	0	0	0	106.4	R454 T458	R454-Y456 HydrophobicContact CB-CD2 4.37Å; R454-Y456 HydrophobicContact CB-CE2 4.01Å; R454-Y456 PolarHBondContact NH1-OH 3.16Å; R454-Y456 PolarHBondContact O-N 3.02Å; R454-Y456 VanDerWaalsContact O-N 3.09Å; Y456-T458 PolarHBondContact O-N 2.94Å
457	Q	25.6	Very low	26.2	Very low	156 Å²	156	151.6 Å²	151.6	73%	0.729	77%	0.768	S	S	*	*			trans	-55.1	123	168.9	-93.2	168.1	-17.4	0	0	109.5	Q455 N459	Q455-Q457 PolarHBondContact O-N 3.48Å; Q457-N459 PolarHBondContact O-N 3.05Å; Q457-N459 VanDerWaalsContact O-N 3.1Å
458	T	25.4	Very low	25.9	Very low	130 Å²	130	147.5 Å²	147.5	80%	0.798	77%	0.765	S	S	*	*			trans	-62.4	96.7	162.4	38.1	0	0	0	0	109	Y456 E460	Y456-T458 PolarHBondContact O-N 2.94Å; T458-E460 VanDerWaalsContact C-N 3.29Å; T458-E460 PolarHBondContact O-N 2.79Å; T458-E460 VanDerWaalsContact O-N 3.16Å
459	N	28.7	Very low	25.9	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	76%	0.759	S	S	*	*			trans	-81.6	82.6	164.1	-77.5	-9	0	0	0	108.4	Q457 E461	Q457-N459 PolarHBondContact O-N 3.05Å; Q457-N459 VanDerWaalsContact O-N 3.1Å; N459-E461 PolarHBondContact O-N 3.42Å
460	E	25.2	Very low	25.8	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	77%	0.77	S	S	*	*			trans	-72.4	71.1	162.3	-78	-169	139.1	0	0	109.7	T458	T458-E460 VanDerWaalsContact C-N 3.29Å; T458-E460 PolarHBondContact O-N 2.79Å; T458-E460 VanDerWaalsContact O-N 3.16Å
461	E	29.6	Very low	26	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.813	77%	0.771	S	S	*	*			trans	-159.1	70.5	169.6	-117.7	173.1	-151.8	0	0	110.6	N459	N459-E461 PolarHBondContact O-N 3.42Å
462	N	27.7	Very low	26	Very low	146 Å²	146	154.8 Å²	154.8	78%	0.781	78%	0.776	S	S	*	*			trans	-159.9	83.5	145.1	-97.5	-34.1	0	0	0	109.5	T464	N462-T464 PolarHBondContact O-N 2.92Å
463	K	25.1	Very low	25.9	Very low	215 Å²	215	154 Å²	154	94%	0.935	77%	0.77	S	S	*	*			trans	-64.8	79.3	153.9	-81.6	176	174.2	170.1	0	108.2	R465	K463-R465 PolarHBondContact O-N 2.8Å
464	T	26.9	Very low	26	Very low	124 Å²	124	154.9 Å²	154.9	76%	0.761	78%	0.777	S	S	*	*			trans	-78.3	112.1	162.3	24.6	0	0	0	0	108.1	N462	N462-T464 PolarHBondContact O-N 2.92Å
465	R	23.4	Very low	25.9	Very low	238 Å²	238	151.5 Å²	151.5	90%	0.898	78%	0.778	S	S	*	*			trans	-37.3	136.6	173.7	-77.6	170.8	169.8	177.5	-4.2	112	K463 S467	K463-R465 PolarHBondContact O-N 2.8Å; R465-S467 PolarHBondContact O-N 3.2Å
466	C	22.6	Very low	26	Very low	129 Å²	129	148 Å²	148	87%	0.872	77%	0.771	S	S	*	*			trans	-52.4	101.7	158.3	-60.9	0	0	0	0	108.4
467	S	25	Very low	26.1	Very low	91 Å²	91	147.8 Å²	147.8	64%	0.636	78%	0.776	S	S	*	*			trans	-93.6	95.9	166	-164.9	0	0	0	0	107	R465 N469	R465-S467 PolarHBondContact O-N 3.2Å; S467-N469 VanDerWaalsContact C-N 3.35Å; S467-N469 PolarHBondContact O-N 3.28Å
468	T	25.2	Very low	26.1	Very low	124 Å²	124	147.8 Å²	147.8	76%	0.761	78%	0.779	S	S	*	*			trans	-62.6	93.4	160.4	43.3	0	0	0	0	108.6
469	N	26.4	Very low	26.1	Very low	121 Å²	121	148.9 Å²	148.9	65%	0.647	78%	0.779	S	S	*	*			trans	-114.8	110.2	163.4	-76.7	-15.6	0	0	0	108.9	S467 D471	S467-N469 VanDerWaalsContact C-N 3.35Å; S467-N469 PolarHBondContact O-N 3.28Å; N469-D471 VanDerWaalsContact C-N 3.28Å; N469-D471 PolarHBondContact O-N 3.34Å
470	N	25	Very low	26.1	Very low	150 Å²	150	149.3 Å²	149.3	80%	0.802	78%	0.78	S	S	*	*			trans	-64.1	81.4	169.2	-68.1	-49.5	0	0	0	109.9	K472	N470-K472 PolarHBondContact O-N 2.94Å
471	D	29	Very low	26.2	Very low	137 Å²	137	145.1 Å²	145.1	73%	0.733	77%	0.771	S	S	*	*			trans	-94	87.1	166.1	-73.1	-28.4	0	0	0	109.2	N469 I473	N469-D471 VanDerWaalsContact C-N 3.28Å; N469-D471 PolarHBondContact O-N 3.34Å; D471-I473 PolarHBondContact O-N 2.79Å
472	K	25.7	Very low	26	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.857	77%	0.773	S	S	*	*			trans	-51.4	98.7	155.9	-70.3	174	175.1	-179.7	0	108.3	N470 P474	N470-K472 PolarHBondContact O-N 2.94Å; K472-P474 WeakPolarHBondContact O-CD 3.15Å
473	I	25.5	Very low	26.1	Very low	136 Å²	136	145.2 Å²	145.2	70%	0.697	77%	0.771	S	S	*	*			trans	-103.8	101.2	159.4	-56.8	-179.8	0	0	0	106.5	D471 V475	D471-I473 PolarHBondContact O-N 2.79Å; I473-V475 HydrophobicContact CG2-CG2 3.78Å; I473-V475 PolarHBondContact O-N 2.85Å
474	P	26.2	Very low	26.1	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	76%	0.762	S	S	*	*			trans	-76.1	100.6	170.1	30	-27.9	0	0	0	107.5	K472 S476	K472-P474 WeakPolarHBondContact O-CD 3.15Å; P474-S476 PolarHBondContact O-N 2.89Å
475	V	27	Very low	26.1	Very low	121 Å²	121	142.3 Å²	142.3	73%	0.733	76%	0.764	S	S	*	*			trans	-89.1	103.2	166.1	-175.4	0	0	0	0	107.1	I473	I473-V475 HydrophobicContact CG2-CG2 3.78Å; I473-V475 PolarHBondContact O-N 2.85Å
476	S	26.6	Very low	26.3	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	76%	0.762	S	S	*	*			trans	-31.9	131.9	168.3	49.4	0	0	0	0	114.2	P474 M478	P474-S476 PolarHBondContact O-N 2.89Å; S476-M478 PolarHBondContact O-N 3.41Å
477	E	25.4	Very low	26.6	Very low	180 Å²	180	134.7 Å²	134.7	84%	0.841	75%	0.752	S	S	*	*			trans	-37.6	98	152.6	-64.4	166	168.5	0	0	110.6	N479	E477-N479 PolarHBondContact O-N 3.17Å
478	M	26.2	Very low	26.8	Very low	157 Å²	157	136.1 Å²	136.1	77%	0.773	76%	0.757	S	S	*	*			trans	-91.5	94.2	156.8	-88.4	-173.3	-63.2	0	0	106.9	S476 I480	S476-M478 PolarHBondContact O-N 3.41Å; M478-I480 PolarHBondContact O-N 3.2Å
479	N	25.5	Very low	26.9	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	76%	0.762	S	S	*	*			trans	-45.4	103.3	154.8	-78.8	-46.3	0	0	0	108.7	E477	E477-N479 PolarHBondContact O-N 3.17Å
480	I	28.1	Very low	27.1	Very low	159 Å²	159	140.6 Å²	140.6	82%	0.815	77%	0.771	S	S	*	*			trans	-96.8	100.8	157.9	-53.8	176	0	0	0	104.5	M478	M478-I480 PolarHBondContact O-N 3.2Å
481	S	27.2	Very low	27.4	Very low	92 Å²	92	139 Å²	139	64%	0.643	77%	0.769	S	S	*	*			trans	-49.7	137.9	170.2	46.9	0	0	0	0	111.1	D483	S481-D483 PolarHBondContact O-N 2.89Å; S481-D483 VanDerWaalsContact O-N 3.16Å
482	E	26.2	Very low	27.4	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	77%	0.773	S	S	*	*			trans	-41	112.1	160.5	-61.7	167.1	165.8	0	0	110.7
483	D	29.1	Very low	27.5	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	77%	0.769	S	S	*	*			trans	-119.6	86.9	153.5	-103.9	-23.8	0	0	0	107.2	S481 Q485	S481-D483 PolarHBondContact O-N 2.89Å; S481-D483 VanDerWaalsContact O-N 3.16Å; D483-Q485 PolarHBondContact O-N 3.48Å
484	S	26.2	Very low	27.6	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	77%	0.774	S	S	*	*			trans	-58.2	84.3	159.6	46.8	0	0	0	0	109.5
485	Q	27.4	Very low	27.9	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	77%	0.773	S	S	*	*			trans	-98.6	94.6	162.2	-76.6	-169.9	3	0	0	109.2	D483 G487	D483-Q485 PolarHBondContact O-N 3.48Å; Q485-G487 PolarHBondContact O-N 3.04Å
486	V	27.1	Very low	27.9	Very low	141 Å²	141	140.1 Å²	140.1	86%	0.855	77%	0.773	S	S	*	*			trans	-60.9	84.8	160.3	179	0	0	0	0	107.4	T488	V486-T488 PolarHBondContact O-N 3.44Å
487	G	28.7	Very low	28.2	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	78%	0.784	S	S	*	*			trans	-84.7	90.8	175.9	0	0	0	0	0	110.6	Q485	Q485-G487 PolarHBondContact O-N 3.04Å
488	T	29.5	Very low	28.3	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	78%	0.776	S	S	*	*			trans	8.4	115.9	149.5	51.7	0	0	0	0	118.6	V486 E490	V486-T488 PolarHBondContact O-N 3.44Å; T488-E490 PolarHBondContact O-N 3.23Å
489	D	27.2	Very low	28.6	Very low	160 Å²	160	139 Å²	139	86%	0.856	78%	0.775	S	S	*	*			trans	-2.2	98.5	141.3	-55.9	-36.3	0	0	0	116.5
490	E	29.4	Very low	28.8	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	78%	0.777	S	S	*	*			trans	-110.9	107.6	147	-83.3	-151.4	156.4	0	0	108.9	T488 I492	T488-E490 PolarHBondContact O-N 3.23Å; E490-I492 PolarHBondContact O-N 3.11Å
491	P	32.2	Very low	28.7	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	77%	0.772	S	S	*	*			trans	-69	105.7	171	27.3	-30.1	0	0	0	107.8	Q493	P491-Q493 PolarHBondContact O-N 3.27Å
492	I	28.4	Very low	28.9	Very low	160 Å²	160	137 Å²	137	82%	0.821	77%	0.773	S	S	*	*			trans	-59.7	108.8	171.3	-62.3	174	0	0	0	106.9	E490 T494	E490-I492 PolarHBondContact O-N 3.11Å; I492-T494 PolarHBondContact O-N 3.49Å
493	Q	28.7	Very low	28.9	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	77%	0.77	S	S	*	*			trans	-53.5	120.9	178.4	-69.3	178.5	-3.6	0	0	109.5	P491 N495	P491-Q493 PolarHBondContact O-N 3.27Å; Q493-N495 PolarHBondContact O-N 3Å
494	T	28.1	Very low	28.9	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	77%	0.774	S	S	*	*			trans	-62.7	99.4	165.6	45.8	0	0	0	0	108	I492 D496	I492-T494 PolarHBondContact O-N 3.49Å; T494-D496 PolarHBondContact O-N 3.42Å; T494-D496 VanDerWaalsContact O-N 3.09Å
495	N	30.8	Very low	28.9	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	77%	0.773	S	S	*	*			trans	-69.3	100.6	162.5	-72	-47.1	0	0	0	107	Q493 P497	Q493-N495 PolarHBondContact O-N 3Å; N495-P497 WeakPolarHBondContact O-CD 3.36Å
496	D	26.9	Very low	29	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	77%	0.768	S	S	*	*			trans	-53.9	110.6	163.4	-95.8	-36.1	0	0	0	109.1	T494 T498	T494-D496 PolarHBondContact O-N 3.42Å; T494-D496 VanDerWaalsContact O-N 3.09Å; D496-T498 VanDerWaalsContact C-N 3.27Å; D496-T498 PolarHBondContact O-N 3.19Å
497	P	33.3	Very low	29	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	76%	0.763	S	S	*	*			trans	-77.9	93.6	160	13.1	6.5	0	0	0	105.9	N495	N495-P497 WeakPolarHBondContact O-CD 3.36Å
498	T	28.4	Very low	29	Very low	109 Å²	109	147.3 Å²	147.3	67%	0.669	77%	0.773	S	S	*	*			trans	-63.5	151	161.4	-44.7	0	0	0	0	107.9	D496	D496-T498 VanDerWaalsContact C-N 3.27Å; D496-T498 PolarHBondContact O-N 3.19Å
499	E	33.1	Very low	28.8	Very low	164 Å²	164	144.7 Å²	144.7	77%	0.766	76%	0.763	S	S	*	*	S	Bend	trans	91.6	94	159.3	-48.1	-173.5	174.5	0	0	117.3	S501	E499-S501 PolarHBondContact O-N 3.4Å
500	D	28.8	Very low	28.8	Very low	158 Å²	158	142.1 Å²	142.1	85%	0.845	76%	0.758	S	S	*	*				48.9	73.6	119.8	-61.2	-15.5	0	0	0	117	P502	D500-P502 WeakPolarHBondContact O-CD 3.18Å
501	S	26.4	Very low	28.5	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	75%	0.748	S	S	*	*			trans	-83.5	115.7	154.9	-155.4	0	0	0	0	109.1	E499	E499-S501 PolarHBondContact O-N 3.4Å
502	P	30.4	Very low	28.1	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	75%	0.748	S	S	*	*			trans	-75.8	140.9	-173.2	31.1	-32.9	0	0	0	110.7	D500 F504	D500-P502 WeakPolarHBondContact O-CD 3.18Å; P502-F504 PolarHBondContact O-N 2.93Å
503	Y	27.7	Very low	27.9	Very low	206 Å²	206	139.2 Å²	139.2	81%	0.808	75%	0.748	S	S	*	*			trans	36.7	80.8	150.1	-77.4	-96.5	0	0	0	115.6	E505	Y503-E505 HydrophobicContact CD1-CG 4.3Å; Y503-E505 PolarHBondContact O-N 3.17Å
504	F	27.7	Very low	27.6	Very low	185 Å²	185	138.3 Å²	138.3	81%	0.811	75%	0.748	S	S	*	*			trans	-72.2	81.9	146.2	-81.7	-85.5	0	0	0	107.4	P502 L506	P502-F504 PolarHBondContact O-N 2.93Å; F504-L506 PolarHBondContact O-N 2.83Å
505	E	27.4	Very low	27.6	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	74%	0.741	S	S	*	*			trans	-62	89.7	152.3	-83.3	-175	153.8	0	0	106.2	Y503 D507	Y503-E505 HydrophobicContact CD1-CG 4.3Å; Y503-E505 PolarHBondContact O-N 3.17Å; E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 2.95Å
506	L	29.3	Very low	27.3	Very low	131 Å²	131	137.8 Å²	137.8	69%	0.686	74%	0.739	S	S	*	*			trans	-63.7	101.9	162	-96.2	144.6	0	0	0	106	F504 F508	F504-L506 PolarHBondContact O-N 2.83Å; L506-F508 VanDerWaalsContact C-N 3.26Å; L506-F508 HydrophobicContact CB-CE2 4.23Å; L506-F508 WeakPolarHBondContact O-CD2 3.39Å; L506-F508 PolarHBondContact O-N 3.06Å
507	D	26.1	Very low	27.3	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	74%	0.737	S	S	*	*			trans	-50.5	92.1	166.6	-84.3	-37	0	0	0	108.9	E505 A509	E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 2.95Å; D507-A509 HydrophobicContact CB-CB 4.36Å; D507-A509 PolarHBondContact O-N 3.15Å
508	F	29.1	Very low	26.8	Very low	201 Å²	201	139.3 Å²	139.3	88%	0.882	73%	0.733	S	S	*	*			trans	-72.6	46.9	161.1	-72.6	-83.5	0	0	0	109.2	L506 S510	L506-F508 VanDerWaalsContact C-N 3.26Å; L506-F508 HydrophobicContact CB-CE2 4.23Å; L506-F508 WeakPolarHBondContact O-CD2 3.39Å; L506-F508 PolarHBondContact O-N 3.06Å; F508-S510 PolarHBondContact O-N 2.81Å
509	A	25.7	Very low	26.8	Very low	66 Å²	66	142.8 Å²	142.8	55%	0.545	74%	0.742	S	S	.	*			trans	-91.1	101.8	173.3	0	0	0	0	0	108.2	D507	D507-A509 HydrophobicContact CB-CB 4.36Å; D507-A509 PolarHBondContact O-N 3.15Å
510	S	26.7	Very low	26.4	Very low	106 Å²	106	146 Å²	146	74%	0.741	75%	0.747	S	S	*	*			trans	77.2	23	149.8	74.5	0	0	0	0	120	F508 I512	F508-S510 PolarHBondContact O-N 2.81Å; S510-I512 PolarHBondContact O-N 2.66Å
511	G	22.5	Very low	26.4	Very low	60 Å²	60	142.4 Å²	142.4	62%	0.619	74%	0.74	S	S	*	*			trans	-73.6	75.2	154.5	0	0	0	0	0	109.9	F513	G511-F513 WeakPolarHBondContact O-CD2 3.27Å; G511-F513 PolarHBondContact O-N 3.11Å
512	I	24.2	Very low	26.3	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	74%	0.744	S	S	*	*			trans	-63.7	94.3	169.2	-61	172	0	0	0	105.7	S510 D514	S510-I512 PolarHBondContact O-N 2.66Å; I512-D514 PolarHBondContact O-N 2.71Å
513	F	25	Very low	25.9	Very low	184 Å²	184	148 Å²	148	81%	0.807	75%	0.748	S	S	*	*			trans	-64.4	106.6	169.1	-73.4	-85.2	0	0	0	106.4	G511 V515	G511-F513 WeakPolarHBondContact O-CD2 3.27Å; G511-F513 PolarHBondContact O-N 3.11Å; F513-V515 PolarHBondContact O-N 2.7Å
514	D	22.7	Very low	25.9	Very low	143 Å²	143	146 Å²	146	77%	0.765	74%	0.744	S	S	*	*			trans	-68.2	82.7	172.1	-137.4	1.7	0	0	0	106.4	I512 Q516	I512-D514 PolarHBondContact O-N 2.71Å; D514-Q516 VanDerWaalsContact C-N 3.28Å; D514-Q516 PolarHBondContact O-N 2.72Å
515	V	26.4	Very low	25.8	Very low	110 Å²	110	144.2 Å²	144.2	67%	0.667	74%	0.742	S	S	*	*			trans	-65.7	96.8	173.4	179.5	0	0	0	0	105.4	F513 I517	F513-V515 PolarHBondContact O-N 2.7Å; V515-I517 HydrophobicContact CG1-CG1 4.02Å; V515-I517 PolarHBondContact O-N 2.99Å
516	Q	25.8	Very low	25.7	Very low	154 Å²	154	142.6 Å²	142.6	72%	0.72	74%	0.743	S	S	*	*			trans	-65.5	86.3	169.4	-71.4	-176.5	0.5	0	0	107.6	D514 H518	D514-Q516 VanDerWaalsContact C-N 3.28Å; D514-Q516 PolarHBondContact O-N 2.72Å; Q516-H518 VanDerWaalsContact C-N 3.25Å; Q516-H518 PolarHBondContact O-N 2.92Å
517	I	26.1	Very low	25.7	Very low	132 Å²	132	143.1 Å²	143.1	68%	0.677	75%	0.746	S	S	*	*			trans	-63.8	96.4	167.5	-58.1	171.7	0	0	0	105.1	V515 E519	V515-I517 HydrophobicContact CG1-CG1 4.02Å; V515-I517 PolarHBondContact O-N 2.99Å; I517-E519 HydrophobicContact CG2-CG 4.15Å; I517-E519 PolarHBondContact O-N 3.13Å
518	H	24.3	Very low	25.7	Very low	164 Å²	164	139.7 Å²	139.7	76%	0.759	74%	0.744	S	S	*	*			trans	-61.4	95.7	159.7	-88.8	-85	0	0	0	106.1	Q516 R520	Q516-H518 VanDerWaalsContact C-N 3.25Å; Q516-H518 PolarHBondContact O-N 2.92Å; H518-R520 PolarHBondContact O-N 3.43Å
519	E	28	Very low	25.7	Very low	182 Å²	182	136.7 Å²	136.7	85%	0.85	74%	0.736	S	S	*	*			trans	-65.6	61.8	165.2	-72.3	-168.7	156.9	0	0	109	I517 A521	I517-E519 HydrophobicContact CG2-CG 4.15Å; I517-E519 PolarHBondContact O-N 3.13Å; E519-A521 PolarHBondContact O-N 2.96Å
520	R	25.1	Very low	25.9	Very low	230 Å²	230	140.1 Å²	140.1	87%	0.868	75%	0.745	S	S	*	*			trans	-77.4	83.7	166.5	-160.1	170.6	-171.6	175.8	1	106.3	H518 R522	H518-R520 PolarHBondContact O-N 3.43Å; R520-R522 PolarHBondContact O-N 2.91Å; R520-R522 VanDerWaalsContact O-N 3.1Å
521	A	27.2	Very low	26.4	Very low	84 Å²	84	142.3 Å²	142.3	69%	0.694	75%	0.748	S	S	*	*			trans	33.1	68.8	155.3	0	0	0	0	0	114.6	E519 S523	E519-A521 PolarHBondContact O-N 2.96Å; A521-S523 PolarHBondContact O-N 3.36Å
522	R	23.9	Very low	26.9	Very low	213 Å²	213	144.3 Å²	144.3	80%	0.804	75%	0.753	S	S	*	*			trans	-64.4	91.1	153.9	-78.4	-175.6	167.5	-171	-3.7	106.7	R520 F524	R520-R522 PolarHBondContact O-N 2.91Å; R520-R522 VanDerWaalsContact O-N 3.1Å; R522-F524 HydrophobicContact CB-CD2 4.44Å; R522-F524 HydrophobicContact CB-CE2 4.11Å; R522-F524 WeakPolarHBondContact O-CD2 3.39Å; R522-F524 PolarHBondContact O-N 3.06Å
523	S	23.1	Very low	27.4	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	76%	0.756	S	S	*	*			trans	-63.8	95.2	163.1	48.2	0	0	0	0	106.5	A521 L525	A521-S523 PolarHBondContact O-N 3.36Å; S523-L525 PolarHBondContact O-N 3Å
524	F	27.3	Very low	27.7	Very low	165 Å²	165	144.4 Å²	144.4	72%	0.724	76%	0.757	S	S	*	*			trans	-62.6	96.7	163.4	-69.5	-88.2	0	0	0	106.2	R522 T526	R522-F524 HydrophobicContact CB-CD2 4.44Å; R522-F524 HydrophobicContact CB-CE2 4.11Å; R522-F524 WeakPolarHBondContact O-CD2 3.39Å; R522-F524 PolarHBondContact O-N 3.06Å; F524-T526 PolarHBondContact O-N 2.97Å
525	L	25.3	Very low	28.1	Very low	148 Å²	148	141.7 Å²	141.7	78%	0.775	75%	0.749	S	S	*	*			trans	-63.1	82.6	151.4	-105.5	152.4	0	0	0	105.2	S523 L527	S523-L525 PolarHBondContact O-N 3Å; L525-L527 PolarHBondContact O-N 3.32Å
526	T	26.5	Very low	28.4	Very low	124 Å²	124	144.9 Å²	144.9	76%	0.761	76%	0.757	S	S	*	*			trans	-61.6	89.1	155.9	36.3	0	0	0	0	105.4	F524 G528	F524-T526 PolarHBondContact O-N 2.97Å; T526-G528 PolarHBondContact O-N 3.13Å
527	L	29	Very low	28.5	Very low	142 Å²	142	143.3 Å²	143.3	74%	0.743	75%	0.753	S	S	*	*			trans	-57.1	100.8	155.1	-73.1	163.4	0	0	0	104.1	L525 I529	L525-L527 PolarHBondContact O-N 3.32Å; L527-I529 PolarHBondContact O-N 2.83Å
528	G	26.1	Very low	28.7	Very low	69 Å²	69	144.3 Å²	144.3	71%	0.711	76%	0.76	S	S	*	*			trans	-60.2	95.9	165.3	0	0	0	0	0	105.8	T526 D530	T526-G528 PolarHBondContact O-N 3.13Å; G528-D530 VanDerWaalsContact C-N 3.27Å; G528-D530 PolarHBondContact O-N 2.94Å
529	I	29.7	Very low	28.6	Very low	137 Å²	137	142.1 Å²	142.1	70%	0.703	76%	0.762	S	S	*	*			trans	-68.5	101.7	162	-59.9	173.8	0	0	0	102.5	L527 D531	L527-I529 PolarHBondContact O-N 2.83Å; I529-D531 PolarHBondContact O-N 2.88Å
530	D	30.1	Very low	28.4	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	76%	0.761	S	S	*	*			trans	-57	112.1	166.3	-90.3	-34.2	0	0	0	106.1	G528 S532	G528-D530 VanDerWaalsContact C-N 3.27Å; G528-D530 PolarHBondContact O-N 2.94Å; D530-S532 PolarHBondContact O-N 2.95Å
531	D	35.5	Very low	28.4	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	22.3	177.5	-71.7	-37.1	0	0	0	113	I529	I529-D531 PolarHBondContact O-N 2.88Å
532	S	33.1	Very low	28.3	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-7.6	-167.8	-58.9	0	0	0	0	114.5	D530	D530-S532 PolarHBondContact O-N 2.95Å
533	E	35.3	Very low	28.3	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	76%	0.757	S	S	*	*			trans	-134.2	12.3	-175	-66.8	-163	-175.5	0	0	116.9	S535	E533-S535 PolarHBondContact O-N 2.95Å
534	L	31.4	Very low	28.5	Very low	159 Å²	159	137 Å²	137	83%	0.832	75%	0.748	S	S	*	*			trans	-77	67.9	158.4	-86.7	155	0	0	0	109.2	Q536	L534-Q536 PolarHBondContact O-N 2.89Å
535	S	30.6	Very low	28.5	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	75%	0.753	S	S	*	*			trans	-42.1	111.9	155.9	155.9	0	0	0	0	107.7	E533 N537	E533-S535 PolarHBondContact O-N 2.95Å; S535-N537 PolarHBondContact O-N 2.9Å
536	Q	33.1	Very low	28.6	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	76%	0.759	S	S	*	*	S	Bend	trans	-65.3	16.8	-178.9	-71.9	178.9	-24.6	0	0	114.3	L534	L534-Q536 PolarHBondContact O-N 2.89Å
537	N	28.3	Very low	28.5	Very low	121 Å²	121	136.1 Å²	136.1	65%	0.647	75%	0.746	S	S	*	*			trans	-113	120.1	-179.4	-65.2	-15.4	0	0	0	107.9	S535	S535-N537 PolarHBondContact O-N 2.9Å
538	D	29.2	Very low	28.4	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	75%	0.752	S	S	*	*	S	Bend	trans	106.3	58.2	167.7	-51.1	-17.3	0	0	0	115.8
539	C	23.2	Very low	28.4	Very low	118 Å²	118	140.7 Å²	140.7	80%	0.797	76%	0.755	S	S	*	*			trans	-168.9	58.3	136.9	-95.2	0	0	0	0	110.6	T541	C539-T541 PolarHBondContact O-N 2.93Å; C539-T541 VanDerWaalsContact O-N 3.17Å
540	Y	23.6	Very low	28.1	Very low	211 Å²	211	137.3 Å²	137.3	83%	0.827	75%	0.754	S	S	*	*			trans	-80.8	72.7	154.1	-75.9	-84.7	0	0	0	107.7	N542	Y540-N542 VanDerWaalsContact C-N 3.31Å; Y540-N542 PolarHBondContact O-N 3.33Å; Y540-N542 VanDerWaalsContact O-N 3.09Å
541	T	25	Very low	27.7	Very low	116 Å²	116	137.6 Å²	137.6	71%	0.712	75%	0.752	S	S	*	*			trans	-72.8	100.2	158.7	-4.6	0	0	0	0	105.5	C539 I543	C539-T541 PolarHBondContact O-N 2.93Å; C539-T541 VanDerWaalsContact O-N 3.17Å; T541-I543 PolarHBondContact O-N 2.75Å
542	N	24.3	Very low	27.2	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	76%	0.755	S	S	*	*			trans	-42.9	102.9	170.3	-82.4	-46.8	0	0	0	109.8	Y540 S544	Y540-N542 VanDerWaalsContact C-N 3.31Å; Y540-N542 PolarHBondContact O-N 3.33Å; Y540-N542 VanDerWaalsContact O-N 3.09Å; N542-S544 PolarHBondContact O-N 3.06Å
543	I	25.1	Very low	26.8	Very low	161 Å²	161	142.8 Å²	142.8	83%	0.826	75%	0.752	S	S	*	*			trans	-78.8	67.7	158.7	-55.3	171.8	0	0	0	105.3	T541 E545	T541-I543 PolarHBondContact O-N 2.75Å; I543-E545 PolarHBondContact O-N 3.07Å
544	S	26.3	Very low	26.2	Very low	80 Å²	80	139.4 Å²	139.4	56%	0.559	75%	0.749	S	S	*	*			trans	-72.7	118	161.1	-55.8	0	0	0	0	106.1	N542	N542-S544 PolarHBondContact O-N 3.06Å
545	E	28.4	Very low	26	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	74%	0.743	S	S	*	*			trans	65.5	59.6	150.4	-54.2	175.6	-172.5	0	0	117	I543 S547	I543-E545 PolarHBondContact O-N 3.07Å; E545-S547 PolarHBondContact O-N 2.75Å
546	L	26.5	Very low	25.8	Very low	170 Å²	170	140.1 Å²	140.1	89%	0.89	75%	0.749	S	S	*	*			trans	-84.2	81.7	140.4	-114	89.1	0	0	0	108.1	T548	L546-T548 PolarHBondContact O-N 2.8Å
547	S	25.6	Very low	25.6	Very low	71 Å²	71	139.2 Å²	139.2	50%	0.497	75%	0.749	S	S	.	*			trans	-48	128.2	168.2	175.2	0	0	0	0	110.2	E545 H549	E545-S547 PolarHBondContact O-N 2.75Å; S547-H549 PolarHBondContact O-N 2.68Å; S547-H549 PolarHBondContact OG-CD2 3.07Å; S547-H549 PolarHBondContact OG-NE2 2.89Å
548	T	26.1	Very low	25.5	Very low	143 Å²	143	138 Å²	138	88%	0.877	75%	0.749	S	S	*	*			trans	-65.6	40.3	175	42.4	0	0	0	0	113.3	L546 G550	L546-T548 PolarHBondContact O-N 2.8Å; T548-G550 PolarHBondContact O-N 2.95Å; T548-G550 VanDerWaalsContact O-N 3.11Å
549	H	25.3	Very low	25.6	Very low	163 Å²	163	133.9 Å²	133.9	76%	0.755	73%	0.732	S	S	*	*			trans	-76.9	103.4	170.7	-77.4	-45.2	0	0	0	109.2	S547 M551	S547-H549 PolarHBondContact O-N 2.68Å; S547-H549 PolarHBondContact OG-CD2 3.07Å; S547-H549 PolarHBondContact OG-NE2 2.89Å; H549-M551 PolarHBondContact O-N 2.82Å
550	G	23.1	Very low	26.2	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	73%	0.73	S	S	*	*			trans	-49.7	107.4	176.5	0	0	0	0	0	111.4	T548	T548-G550 PolarHBondContact O-N 2.95Å; T548-G550 VanDerWaalsContact O-N 3.11Å
551	M	23.4	Very low	26.7	Very low	146 Å²	146	134.4 Å²	134.4	72%	0.719	73%	0.725	S	S	*	*			trans	-105.9	76.6	147.4	-73.2	-118.7	69.5	0	0	106	H549 R553	H549-M551 PolarHBondContact O-N 2.82Å; M551-R553 HydrophobicContact CE-CG 4.02Å; M551-R553 PolarHBondContact O-N 3.13Å
552	H	24	Very low	27	Very low	186 Å²	186	133.4 Å²	133.4	86%	0.861	72%	0.716	S	S	*	*			trans	-60.2	72.3	150.3	-81.3	-81.1	0	0	0	107.7	S554	H552-S554 VanDerWaalsContact C-N 3.34Å
553	R	24	Very low	27.3	Very low	175 Å²	175	131.8 Å²	131.8	66%	0.66	71%	0.706	S	S	*	*			trans	-97.1	84.2	152.5	-85.1	-177.5	175.6	-139.4	0.5	104.7	M551 H555	M551-R553 HydrophobicContact CE-CG 4.02Å; M551-R553 PolarHBondContact O-N 3.13Å; R553-H555 PolarHBondContact O-CD2 3.42Å; R553-H555 PolarHBondContact O-N 2.96Å
554	S	24	Very low	27.7	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	70%	0.701	S	S	*	*			trans	-52.4	92.6	151.9	46.5	0	0	0	0	106.6	H552 S556	H552-S554 VanDerWaalsContact C-N 3.34Å; S554-S556 PolarHBondContact O-N 2.84Å
555	H	26.4	Very low	28.1	Very low	155 Å²	155	137.3 Å²	137.3	72%	0.718	71%	0.711	S	S	*	*			trans	-65.3	96.7	157.6	-70.1	-75.3	0	0	0	104	R553 L557	R553-H555 PolarHBondContact O-CD2 3.42Å; R553-H555 PolarHBondContact O-N 2.96Å; H555-L557 PolarHBondContact O-N 2.73Å
556	S	27.3	Very low	28.2	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	71%	0.708	S	S	*	*			trans	-52	112.9	165.8	55.8	0	0	0	0	105.5	S554	S554-S556 PolarHBondContact O-N 2.84Å
557	L	27.8	Very low	28.2	Very low	157 Å²	157	136.5 Å²	136.5	82%	0.822	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-48.4	129.7	166.4	-70.6	167.4	0	0	0	106.4	H555 S559	H555-L557 PolarHBondContact O-N 2.73Å; L557-S559 PolarHBondContact O-N 2.92Å; L557-S559 VanDerWaalsContact O-N 3.07Å
558	P	27.5	Very low	28.4	Very low	97 Å²	97	140.7 Å²	140.7	63%	0.63	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-51	124.5	175	-20	29.9	0	0	0	106.9	L560	P558-L560 PolarHBondContact O-N 2.83Å
559	S	31.5	Very low	28.5	Very low	67 Å²	67	141.7 Å²	141.7	47%	0.469	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-56.7	137.9	177.8	89.2	0	0	0	0	107.1	L557 R561 D562	L557-S559 PolarHBondContact O-N 2.92Å; L557-S559 VanDerWaalsContact O-N 3.07Å; S559-R561 PolarHBondContact O-N 2.91Å; S559-D562 PolarHBondContact O-N 3.13Å
560	L	34.2	Very low	28.8	Very low	144 Å²	144	141.7 Å²	141.7	75%	0.754	71%	0.711	S	S	*	*	H	α-helix	trans	-51.6	-17.3	179.9	-89.6	155.4	0	0	0	113.5	P558 D562 L563 E564	P558-L560 PolarHBondContact O-N 2.83Å; L560-D562 VanDerWaalsContact C-N 3.31Å; L560-D562 PolarHBondContact O-N 3.37Å; L560-L563 PolarHBondContact O-N 3.39Å; L560-E564 PolarHBondContact O-N 2.82Å
561	R	33.9	Very low	29	Very low	195 Å²	195	142.9 Å²	142.9	74%	0.736	71%	0.709	S	S	*	*	H	α-helix	trans	-66.1	-24.2	172.4	-73.1	-167.2	172	-169.8	-1.7	115	S559 L563	S559-R561 PolarHBondContact O-N 2.91Å; R561-L563 VanDerWaalsContact C-N 3.35Å
562	D	32.8	Very low	29.2	Very low	95 Å²	95	145 Å²	145	51%	0.508	72%	0.715	S	S	.	*	H	α-helix	trans	-80.4	-20.3	174.6	-71.2	-27.7	0	0	0	112	S559 L560	S559-D562 PolarHBondContact O-N 3.13Å; L560-D562 VanDerWaalsContact C-N 3.31Å; L560-D562 PolarHBondContact O-N 3.37Å
563	L	30.2	Very low	29.4	Very low	106 Å²	106	143.9 Å²	143.9	56%	0.555	71%	0.71	S	S	*	*	H	α-helix	trans	-74.2	-32.5	173.4	-123.2	98.7	0	0	0	111.9	L560 R561 R565 N566	L560-L563 PolarHBondContact O-N 3.39Å; R561-L563 VanDerWaalsContact C-N 3.35Å; L563-R565 VanDerWaalsContact C-N 3.27Å; L563-R565 PolarHBondContact O-N 3.03Å; L563-N566 PolarHBondContact O-N 2.83Å
564	E	33.9	Very low	29.6	Very low	152 Å²	152	142.3 Å²	142.3	71%	0.71	72%	0.715	S	S	*	*	H	α-helix	trans	-68.2	-24.8	176.2	-74.2	-179.9	167.6	0	0	112.7	L560	L560-E564 PolarHBondContact O-N 2.82Å
565	R	33.9	Very low	29.6	Very low	205 Å²	205	142.6 Å²	142.6	77%	0.774	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-18.4	177.7	-74.4	-169	-178.1	-160.4	1	114.8	L563	L563-R565 VanDerWaalsContact C-N 3.27Å; L563-R565 PolarHBondContact O-N 3.03Å
566	N	30.4	Very low	29.6	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-4.1	178.3	-74.7	-22.6	0	0	0	113.9	L563	L563-N566 PolarHBondContact O-N 2.83Å
567	Y	26.6	Very low	29.5	Very low	188 Å²	188	141.2 Å²	141.2	74%	0.737	71%	0.714	S	S	*	*			trans	-103.2	67.8	160.9	-75.8	-85.6	0	0	0	108.3	L569	Y567-L569 VanDerWaalsContact C-N 3.26Å; Y567-L569 PolarHBondContact O-N 2.95Å
568	Q	29.1	Very low	29.4	Very low	159 Å²	159	139.1 Å²	139.1	74%	0.743	71%	0.709	S	S	*	*			trans	-55	108.6	145.3	-97.3	171.6	-15.9	0	0	104.9	H570	Q568-H570 PolarHBondContact O-N 3.13Å
569	L	29.2	Very low	29.2	Very low	164 Å²	164	140.9 Å²	140.9	86%	0.859	72%	0.719	S	S	*	*			trans	-46	105.3	155.7	-95.1	108.2	0	0	0	104.2	Y567 S571	Y567-L569 VanDerWaalsContact C-N 3.26Å; Y567-L569 PolarHBondContact O-N 2.95Å; L569-S571 PolarHBondContact O-N 2.92Å
570	H	30.8	Very low	29	Very low	162 Å²	162	143.1 Å²	143.1	75%	0.75	73%	0.73	S	S	*	*			trans	-56.6	101.6	154	-72.8	-59.7	0	0	0	102.7	Q568 F572	Q568-H570 PolarHBondContact O-N 3.13Å; H570-F572 VanDerWaalsContact C-N 3.32Å; H570-F572 PolarHBondContact O-N 2.62Å
571	S	27.6	Very low	28.5	Very low	91 Å²	91	141.2 Å²	141.2	64%	0.636	73%	0.729	S	S	*	*			trans	-40.5	113.8	155.7	46	0	0	0	0	103.8	L569 E573	L569-S571 PolarHBondContact O-N 2.92Å; S571-E573 PolarHBondContact O-N 3.16Å
572	F	28.4	Very low	28.2	Very low	191 Å²	191	139.1 Å²	139.1	84%	0.838	73%	0.731	S	S	*	*			trans	-59.9	87.8	165.3	-86.4	-98.5	0	0	0	103.8	H570 D574	H570-F572 VanDerWaalsContact C-N 3.32Å; H570-F572 PolarHBondContact O-N 2.62Å; F572-D574 PolarHBondContact O-N 3.22Å; F572-D574 VanDerWaalsContact O-N 3.08Å
573	E	28.4	Very low	28	Very low	163 Å²	163	141.7 Å²	141.7	76%	0.762	75%	0.745	S	S	*	*			trans	-49.7	117.9	155.7	-80.3	176.9	155.5	0	0	103.5	S571 C575	S571-E573 PolarHBondContact O-N 3.16Å; E573-C575 VanDerWaalsContact C-N 3.35Å; E573-C575 PolarHBondContact O-N 3.44Å
574	D	28	Very low	27.9	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	76%	0.757	S	S	*	*			trans	-37.2	105	178	-66.2	-53	0	0	0	107.8	F572 T576	F572-D574 PolarHBondContact O-N 3.22Å; F572-D574 VanDerWaalsContact O-N 3.08Å; D574-T576 HydrophobicContact CB-CG2 4.25Å; D574-T576 PolarHBondContact O-N 2.71Å; D574-T576 PolarHBondContact O-OG1 2.77Å
575	C	23.4	Very low	27.5	Very low	114 Å²	114	139.2 Å²	139.2	77%	0.77	76%	0.759	S	S	*	*			trans	-69.2	71.1	166.3	-72.7	0	0	0	0	105.1	E573 T577	E573-C575 VanDerWaalsContact C-N 3.35Å; E573-C575 PolarHBondContact O-N 3.44Å; C575-T577 PolarHBondContact O-N 3.29Å
576	T	25.8	Very low	27.2	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	75%	0.754	S	S	*	*			trans	-56.3	95	157	41.8	0	0	0	0	103.6	D574 P578	D574-T576 HydrophobicContact CB-CG2 4.25Å; D574-T576 PolarHBondContact O-N 2.71Å; D574-T576 PolarHBondContact O-OG1 2.77Å; T576-P578 WeakPolarHBondContact O-CD 3.47Å
577	T	25.9	Very low	27.2	Very low	115 Å²	115	133.4 Å²	133.4	71%	0.706	76%	0.758	S	S	*	*			trans	-44.8	121.7	165	43	0	0	0	0	105.8	C575 T579	C575-T577 PolarHBondContact O-N 3.29Å; T577-T579 PolarHBondContact O-N 3.04Å
578	P	25.8	Very low	27.5	Very low	112 Å²	112	132.3 Å²	132.3	73%	0.727	76%	0.759	S	S	*	*			trans	-54.8	110.1	-178.8	18.3	-29.3	0	0	0	107	T576 T580	T576-P578 WeakPolarHBondContact O-CD 3.47Å; P578-T580 PolarHBondContact O-N 3.44Å; P578-T580 PolarHBondContact O-OG1 2.81Å
579	T	24.2	Very low	27.6	Very low	135 Å²	135	130.7 Å²	130.7	83%	0.828	76%	0.756	S	S	*	*			trans	-65.2	76.6	158.8	31.3	0	0	0	0	105.1	T577 S581	T577-T579 PolarHBondContact O-N 3.04Å; T579-S581 PolarHBondContact O-N 3.09Å
580	T	25.9	Very low	27.7	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	75%	0.748	S	S	*	*			trans	-57.3	97.5	151.2	17.1	0	0	0	0	104.5	P578 L582	P578-T580 PolarHBondContact O-N 3.44Å; P578-T580 PolarHBondContact O-OG1 2.81Å; T580-L582 PolarHBondContact O-N 3.23Å
581	S	25.4	Very low	27.8	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	74%	0.742	S	S	*	*			trans	-52.2	89.6	160	45.8	0	0	0	0	106.4	T579 N583	T579-S581 PolarHBondContact O-N 3.09Å; S581-N583 PolarHBondContact O-N 3.24Å
582	L	27.2	Very low	28.1	Very low	151 Å²	151	127 Å²	127	79%	0.791	75%	0.746	S	S	*	*			trans	-65.4	97.3	162.2	-72.4	172.3	0	0	0	104.2	T580 T584	T580-L582 PolarHBondContact O-N 3.23Å; L582-T584 PolarHBondContact O-N 3.01Å
583	N	27.5	Very low	28.2	Very low	148 Å²	148	126.2 Å²	126.2	79%	0.791	74%	0.742	S	S	*	*			trans	-37.4	112	166.9	-95.9	-33.5	0	0	0	107.6	S581 G585	S581-N583 PolarHBondContact O-N 3.24Å; N583-G585 PolarHBondContact O-N 2.69Å
584	T	29.4	Very low	28.3	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	75%	0.747	S	S	*	*			trans	-68.7	19.8	170.1	40.8	0	0	0	0	111.9	L582 G586	L582-T584 PolarHBondContact O-N 3.01Å; T584-G586 PolarHBondContact O-N 3.18Å
585	G	25.1	Very low	28.4	Very low	74 Å²	74	128.7 Å²	128.7	76%	0.763	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	95.1	171.2	0	0	0	0	0	109.7	N583	N583-G585 PolarHBondContact O-N 2.69Å
586	G	26.8	Very low	28.8	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.2	18.7	161.7	0	0	0	0	0	116.8	T584 E588	T584-G586 PolarHBondContact O-N 3.18Å; G586-E588 PolarHBondContact O-N 2.96Å
587	I	29.7	Very low	28.9	Very low	162 Å²	162	126.1 Å²	126.1	83%	0.831	75%	0.748	S	S	*	*			trans	-76.7	73.5	157	-51.6	178.6	0	0	0	106.7	D589	I587-D589 PolarHBondContact O-N 3.01Å
588	E	34	Very low	29	Very low	165 Å²	165	126.7 Å²	126.7	77%	0.771	75%	0.752	S	S	*	*			trans	-61.3	128.8	157.6	-77.3	-175.4	168.6	0	0	107.3	G586 L590	G586-E588 PolarHBondContact O-N 2.96Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.36Å
589	D	32	Very low	29.2	Very low	125 Å²	125	128.4 Å²	128.4	67%	0.668	75%	0.754	S	S	*	*			trans	-55.6	88.4	-178.1	-151.2	-19.7	0	0	0	110.7	I587 S591	I587-D589 PolarHBondContact O-N 3.01Å; D589-S591 PolarHBondContact O-N 2.75Å; D589-S591 VanDerWaalsContact O-N 3.07Å; D589-S591 WeakPolarHBondContact OD1-CB 3.19Å; D589-S591 PolarHBondContact OD1-OG 3.15Å
590	L	31.3	Very low	29.4	Very low	133 Å²	133	127 Å²	127	70%	0.696	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-72.7	9.3	178.4	-79.1	170.1	0	0	0	112.8	E588 T592 K593	E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.36Å; L590-T592 PolarHBondContact O-N 2.93Å; L590-K593 PolarHBondContact O-N 3.48Å
591	S	31.3	Very low	29.4	Very low	90 Å²	90	127.3 Å²	127.3	63%	0.629	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-62.5	-9.9	175.3	61.8	0	0	0	0	113.9	D589	D589-S591 PolarHBondContact O-N 2.75Å; D589-S591 VanDerWaalsContact O-N 3.07Å; D589-S591 WeakPolarHBondContact OD1-CB 3.19Å; D589-S591 PolarHBondContact OD1-OG 3.15Å
592	T	34	Very low	29.4	Very low	116 Å²	116	130.7 Å²	130.7	71%	0.712	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-102.8	1.1	179.5	51	0	0	0	0	116	L590	L590-T592 PolarHBondContact O-N 2.93Å
593	K	31.4	Very low	29.5	Very low	175 Å²	175	128.8 Å²	128.8	76%	0.761	75%	0.749	S	S	*	*			trans	-103	3	-175.5	-122.9	177.7	-173.2	173.8	0	117.2	L590 K595	L590-K593 PolarHBondContact O-N 3.48Å; K593-K595 PolarHBondContact O-N 3.34Å
594	I	30.5	Very low	29.4	Very low	169 Å²	169	127.7 Å²	127.7	87%	0.867	75%	0.749	S	S	*	*			trans	-81.2	60.8	166.7	-47	179.6	0	0	0	109	A596	I594-A596 PolarHBondContact O-N 2.91Å
595	K	30.1	Very low	29.2	Very low	187 Å²	187	131.4 Å²	131.4	81%	0.813	75%	0.749	S	S	*	*			trans	-81.8	105.5	160.8	-86.4	-175.1	176.9	178.3	0	107.5	K593 A597	K593-K595 PolarHBondContact O-N 3.34Å; K595-A597 PolarHBondContact O-N 2.85Å
596	A	30.6	Very low	29.3	Very low	84 Å²	84	135 Å²	135	69%	0.694	75%	0.749	S	S	*	*			trans	37	70.2	146.6	0	0	0	0	0	116	I594 T598	I594-A596 PolarHBondContact O-N 2.91Å; A596-T598 PolarHBondContact O-N 2.96Å; A596-T598 VanDerWaalsContact O-N 3.16Å
597	A	27.9	Very low	29.3	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	76%	0.758	S	S	*	*			trans	-79.8	86.1	153.5	0	0	0	0	0	107.1	K595 I599	K595-A597 PolarHBondContact O-N 2.85Å; A597-I599 VanDerWaalsContact C-N 3.32Å; A597-I599 PolarHBondContact O-N 2.94Å
598	T	29.5	Very low	29.3	Very low	128 Å²	128	138.4 Å²	138.4	79%	0.785	75%	0.753	S	S	*	*			trans	-62.9	90.6	172.9	-32.1	0	0	0	0	108.1	A596 S600	A596-T598 PolarHBondContact O-N 2.96Å; A596-T598 VanDerWaalsContact O-N 3.16Å; T598-S600 PolarHBondContact O-N 3.47Å; T598-S600 VanDerWaalsContact O-N 3.15Å
599	I	29.6	Very low	28.9	Very low	148 Å²	148	139.1 Å²	139.1	76%	0.759	76%	0.756	S	S	*	*			trans	-76.7	104	170.3	-54.7	173.2	0	0	0	105.9	A597 V601	A597-I599 VanDerWaalsContact C-N 3.32Å; A597-I599 PolarHBondContact O-N 2.94Å; I599-V601 PolarHBondContact O-N 3.07Å
600	S	27.2	Very low	28.9	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	76%	0.763	S	S	*	*			trans	-61.4	101.1	172	54	0	0	0	0	108.9	T598 E602	T598-S600 PolarHBondContact O-N 3.47Å; T598-S600 VanDerWaalsContact O-N 3.15Å; S600-E602 PolarHBondContact O-N 3.27Å
601	V	27.8	Very low	28.6	Very low	121 Å²	121	142.2 Å²	142.2	73%	0.733	77%	0.773	S	S	*	*			trans	-76	101.8	166	-177.4	0	0	0	0	106.1	I599 T603	I599-V601 PolarHBondContact O-N 3.07Å; V601-T603 PolarHBondContact O-N 3.47Å
602	E	25.3	Very low	28.5	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	78%	0.778	S	S	*	*			trans	-57.3	104.4	167.1	-96.3	-177.9	152	0	0	108.5	S600 T604	S600-E602 PolarHBondContact O-N 3.27Å; E602-T604 PolarHBondContact O-N 2.81Å
603	T	29.1	Very low	28	Very low	110 Å²	110	146.1 Å²	146.1	68%	0.675	79%	0.787	S	S	*	*			trans	-69.3	96	170.4	35.5	0	0	0	0	108.3	V601 Y605	V601-T603 PolarHBondContact O-N 3.47Å; T603-Y605 WeakPolarHBondContact O-CD2 3.45Å; T603-Y605 PolarHBondContact O-N 3.06Å
604	T	25.7	Very low	27.9	Very low	126 Å²	126	143.9 Å²	143.9	77%	0.773	79%	0.787	S	S	*	*			trans	-68.7	107.5	170	-27	0	0	0	0	108	E602 I606	E602-T604 PolarHBondContact O-N 2.81Å; T604-I606 PolarHBondContact O-N 3.35Å
605	Y	25	Very low	27.7	Very low	209 Å²	209	141 Å²	141	82%	0.82	78%	0.783	S	S	*	*			trans	-61.2	93.9	176.1	-81.5	-100.2	0	0	0	110.6	T603 K607	T603-Y605 WeakPolarHBondContact O-CD2 3.45Å; T603-Y605 PolarHBondContact O-N 3.06Å; Y605-K607 PolarHBondContact O-N 3.18Å
606	I	27.1	Very low	27.6	Very low	149 Å²	149	138 Å²	138	76%	0.764	79%	0.785	S	S	*	*			trans	-89.3	102.4	162	-56.1	178.4	0	0	0	106.4	T604 S608	T604-I606 PolarHBondContact O-N 3.35Å; I606-S608 PolarHBondContact O-N 2.8Å
607	K	26.4	Very low	27.4	Very low	195 Å²	195	138 Å²	138	85%	0.848	79%	0.786	S	S	*	*			trans	-62.2	95.9	170.3	-73.7	179	175.9	-179.4	0	108.9	Y605	Y605-K607 PolarHBondContact O-N 3.18Å
608	S	28.6	Very low	27.3	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	79%	0.785	S	S	*	*			trans	-100.2	98	162.3	58	0	0	0	0	108.2	I606 N610	I606-S608 PolarHBondContact O-N 2.8Å; S608-N610 VanDerWaalsContact C-N 3.31Å; S608-N610 PolarHBondContact O-N 3.08Å
609	E	26.7	Very low	27.3	Very low	181 Å²	181	138.7 Å²	138.7	85%	0.846	78%	0.784	S	S	*	*			trans	-60.8	95.5	162.1	-69.3	175.6	168.4	0	0	107.7
610	N	31.2	Very low	27.1	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	79%	0.788	S	S	*	*			trans	-173.1	97.1	151	-89.1	-27.8	0	0	0	108.5	S608 V612	S608-N610 VanDerWaalsContact C-N 3.31Å; S608-N610 PolarHBondContact O-N 3.08Å; N610-V612 PolarHBondContact O-N 2.96Å; N610-V612 VanDerWaalsContact O-N 3.08Å
611	N	25.7	Very low	27.2	Very low	169 Å²	169	135 Å²	135	90%	0.904	78%	0.778	S	S	*	*			trans	-58.9	101.9	170.9	-81	-35.1	0	0	0	110.5
612	V	28.5	Very low	27.3	Very low	121 Å²	121	134.5 Å²	134.5	73%	0.733	78%	0.78	S	S	*	*			trans	-132.7	95.5	154.3	-171.5	0	0	0	0	107.8	N610 V614	N610-V612 PolarHBondContact O-N 2.96Å; N610-V612 VanDerWaalsContact O-N 3.08Å; V612-V614 HydrophobicContact CG1-CG2 4.05Å; V612-V614 PolarHBondContact O-N 3.18Å
613	N	23.6	Very low	27.6	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	78%	0.777	S	S	*	*			trans	-58.1	110.9	165.5	-92.3	-19.4	0	0	0	108.8
614	V	29	Very low	27.8	Very low	127 Å²	127	134 Å²	134	77%	0.77	78%	0.783	S	S	*	*			trans	-125.7	110.2	155.2	-167.1	0	0	0	0	107.4	V612	V612-V614 HydrophobicContact CG1-CG2 4.05Å; V612-V614 PolarHBondContact O-N 3.18Å
615	S	27.8	Very low	28.1	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	78%	0.782	S	S	*	*			trans	-55.7	128.7	179.2	43.9	0	0	0	0	112.4	A617	S615-A617 PolarHBondContact O-N 3.05Å
616	S	26.2	Very low	28.5	Very low	122 Å²	122	130.7 Å²	130.7	85%	0.853	78%	0.782	S	S	*	*			trans	-66.5	105.6	166.2	49.7	0	0	0	0	110.7
617	A	27.4	Very low	28.7	Very low	86 Å²	86	131.7 Å²	131.7	71%	0.711	78%	0.784	S	S	*	*			trans	-97.1	97.8	160.5	0	0	0	0	0	107.9	S615 V619	S615-A617 PolarHBondContact O-N 3.05Å; A617-V619 PolarHBondContact O-N 2.81Å
618	S	26.6	Very low	28.9	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	78%	0.778	S	S	*	*			trans	-67.1	94.2	166.1	55.5	0	0	0	0	108.7
619	V	28.3	Very low	29.1	Very low	128 Å²	128	129.1 Å²	129.1	78%	0.776	78%	0.778	S	S	*	*			trans	-102.4	82.5	164.5	-173.7	0	0	0	0	106.6	A617 G621	A617-V619 PolarHBondContact O-N 2.81Å; V619-G621 PolarHBondContact O-N 3.18Å
620	C	26.7	Very low	29.5	Very low	123 Å²	123	127.2 Å²	127.2	83%	0.831	77%	0.774	S	S	*	*			trans	-69.8	81.5	160	-62.9	0	0	0	0	106.7	S622	C620-S622 PolarHBondContact O-N 3.12Å
621	G	27.7	Very low	29.8	Very low	51 Å²	51	127.7 Å²	127.7	53%	0.526	77%	0.773	S	S	.	*			trans	-70.7	109.4	171.2	0	0	0	0	0	109	V619 D623	V619-G621 PolarHBondContact O-N 3.18Å; G621-D623 PolarHBondContact O-N 3.04Å
622	S	30	Very low	30.4	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	77%	0.768	S	S	*	*			trans	-72.1	75.8	-179.3	50.8	0	0	0	0	112.2	C620	C620-S622 PolarHBondContact O-N 3.12Å
623	D	31.3	Very low	31	Very low	141 Å²	141	128.4 Å²	128.4	75%	0.754	77%	0.767	S	S	*	*			trans	-120.3	-1.4	175.6	-73.8	-23.1	0	0	0	114.4	G621 A625	G621-D623 PolarHBondContact O-N 3.04Å; D623-A625 VanDerWaalsContact C-N 3.3Å; D623-A625 PolarHBondContact O-N 3.06Å
624	V	34	Very low	31.8	Very low	133 Å²	133	128.7 Å²	128.7	81%	0.806	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	1.8	-176.7	-161.3	0	0	0	0	113.2
625	A	32.8	Very low	32.3	Very low	91 Å²	91	130 Å²	130	75%	0.752	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.5	-177	0	0	0	0	0	114.9	D623	D623-A625 VanDerWaalsContact C-N 3.3Å; D623-A625 PolarHBondContact O-N 3.06Å
626	Q	32.5	Very low	32.9	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	77%	0.771	S	S	*	*	S	Bend	trans	-99.7	-5.2	-176.2	-100.2	-179.6	-8.2	0	0	115.7
627	E	31.5	Very low	33.6	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-91.6	-7.9	-174.1	-135.5	162	-159.8	0	0	114.4
628	C	31.1	Very low	34	Very low	109 Å²	109	147.1 Å²	147.1	74%	0.736	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-87.7	-4.3	-177.4	-67.1	0	0	0	0	115.7
629	N	32.7	Very low	34.3	Very low	136 Å²	136	149.2 Å²	149.2	73%	0.727	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-103.5	3.6	-173.9	-75.2	-9.3	0	0	0	115.7
630	N	35.7	Very low	34.7	Very low	140 Å²	140	150.4 Å²	150.4	75%	0.749	79%	0.791	S	S	*	*	S	Bend	trans	-104.5	5	-177.3	-78	-4	0	0	0	115.2
631	M	35.9	Very low	35.1	Very low	164 Å²	164	152 Å²	152	81%	0.808	79%	0.788	S	S	*	*	S	Bend	trans	-96.8	-7.3	179.5	-96.7	-172.1	-71.3	0	0	115.3
632	E	39.3	Very low	35.6	Very low	172 Å²	172	158.3 Å²	158.3	80%	0.804	81%	0.805	S	S	*	*	S	Bend	trans	-91	-14.1	-179.3	-76.7	-168.8	155.2	0	0	114.8
633	D	41	Very low	36	Very low	132 Å²	132	161.5 Å²	161.5	71%	0.706	81%	0.807	S	S	*	*	S	Bend	trans	-89.4	-9.4	-174.4	-90.5	-15.8	0	0	0	115.1
634	E	40	Very low	36.3	Very low	174 Å²	174	162.9 Å²	162.9	81%	0.813	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-11.2	-179	-130.9	-178	-170.5	0	0	114.3
635	N	39.5	Very low	36.5	Very low	156 Å²	156	165.2 Å²	165.2	83%	0.834	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	9.9	175.9	-83.1	-27.6	0	0	0	114.3
636	R	41.2	Very low	36.8	Very low	230 Å²	230	171.4 Å²	171.4	87%	0.868	82%	0.816	S	S	*	*			trans	-119.6	6.8	176.7	-75.6	-165	-158	-143.6	5.9	115.6
637	R	41.4	Very low	37.2	Very low	298 Å²	298	171 Å²	171	100%	1.125	82%	0.815	S	S	*	*			trans	-105.5	0	169.2	-75.6	-174	176.6	-174.4	1.5	110

Retrieved 637 of 637 residues in 265.4 ms (Link to these results)

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