A0A3Q0KM19_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	24.7	Very low	246 Å²	246	138.1 Å²	138.1	100%	1.212	82%	0.819	S	S	*	*				0	94.8	0	-75.5	-177.6	170.7	0	0	108.3
2	T	24.8	Very low	24.6	Very low	143 Å²	143	135.6 Å²	135.6	88%	0.877	81%	0.814	S	S	*	*			trans	-109.4	98	179.6	34.4	0	0	0	0	107.6
3	R	23.9	Very low	24.7	Very low	254 Å²	254	138.7 Å²	138.7	96%	0.958	80%	0.804	S	S	*	*			trans	-92.3	116.3	167.1	-96	-174.1	170.3	-157.3	-1.7	108	A5	R3-A5 PolarHBondContact O-N 3Å
4	S	24	Very low	24.6	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	80%	0.797	S	S	*	*			trans	-52.8	117.4	179.2	-41.3	0	0	0	0	111.8	S6	S4-S6 VanDerWaalsContact C-N 3.27Å; S4-S6 PolarHBondContact O-N 3.33Å
5	A	26.3	Very low	24.8	Very low	106 Å²	106	135.7 Å²	135.7	88%	0.876	79%	0.792	S	S	*	*			trans	-86.9	74.2	163.7	0	0	0	0	0	108.2	R3	R3-A5 PolarHBondContact O-N 3Å
6	S	22.9	Very low	25.1	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	80%	0.8	S	S	*	*			trans	-118.7	52.8	178.6	-49.3	0	0	0	0	109.5	S4	S4-S6 VanDerWaalsContact C-N 3.27Å; S4-S6 PolarHBondContact O-N 3.33Å
7	S	24.5	Very low	25.5	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	79%	0.787	S	S	*	*			trans	176.7	65.6	171	45.5	0	0	0	0	111.5	T9	S7-T9 VanDerWaalsContact C-N 3.27Å; S7-T9 PolarHBondContact O-N 3.46Å; S7-T9 VanDerWaalsContact O-N 3.17Å
8	A	23.2	Very low	26	Very low	104 Å²	104	134.7 Å²	134.7	86%	0.86	77%	0.766	S	S	*	*			trans	-82.7	82.9	159.4	0	0	0	0	0	107.6	V10	A8-V10 PolarHBondContact O-N 3.3Å
9	T	22.4	Very low	26.6	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	76%	0.76	S	S	*	*			trans	-57.4	120.1	162.3	28.8	0	0	0	0	107.7	S7 I11	S7-T9 VanDerWaalsContact C-N 3.27Å; S7-T9 PolarHBondContact O-N 3.46Å; S7-T9 VanDerWaalsContact O-N 3.17Å; T9-I11 VanDerWaalsContact C-N 3.3Å; T9-I11 PolarHBondContact O-N 3.07Å
10	V	24.1	Very low	27.1	Very low	132 Å²	132	133.3 Å²	133.3	80%	0.8	76%	0.759	S	S	*	*			trans	-63.8	97.5	169.9	177.5	0	0	0	0	106.4	A8 S12	A8-V10 PolarHBondContact O-N 3.3Å; V10-S12 VanDerWaalsContact C-N 3.31Å; V10-S12 PolarHBondContact O-N 3.24Å
11	I	23.8	Very low	27.6	Very low	111 Å²	111	127.7 Å²	127.7	57%	0.569	73%	0.728	S	S	*	*			trans	-68.8	99.3	164.8	-59.3	174.5	0	0	0	104.8	T9 Y13	T9-I11 VanDerWaalsContact C-N 3.3Å; T9-I11 PolarHBondContact O-N 3.07Å; I11-Y13 VanDerWaalsContact C-N 3.27Å; I11-Y13 HydrophobicContact CB-CE2 4.27Å; I11-Y13 HydrophobicContact CG2-CD2 4.2Å; I11-Y13 HydrophobicContact CG2-CE2 4.05Å; I11-Y13 WeakPolarHBondContact O-CD2 3.45Å; I11-Y13 PolarHBondContact O-N 3.33Å
12	S	23.7	Very low	27.9	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	71%	0.706	S	S	*	*			trans	-58.7	96.9	163.3	-85.1	0	0	0	0	107.5	V10 G14	V10-S12 VanDerWaalsContact C-N 3.31Å; V10-S12 PolarHBondContact O-N 3.24Å; S12-G14 VanDerWaalsContact C-N 3.33Å; S12-G14 PolarHBondContact O-N 3.37Å
13	Y	25	Very low	28.5	Very low	176 Å²	176	124.7 Å²	124.7	69%	0.69	70%	0.695	S	S	*	*			trans	-66.8	99.7	163.5	-76.9	-85.3	0	0	0	106.7	I11 F15	I11-Y13 VanDerWaalsContact C-N 3.27Å; I11-Y13 HydrophobicContact CB-CE2 4.27Å; I11-Y13 HydrophobicContact CG2-CD2 4.2Å; I11-Y13 HydrophobicContact CG2-CE2 4.05Å; I11-Y13 WeakPolarHBondContact O-CD2 3.45Å; I11-Y13 PolarHBondContact O-N 3.33Å; Y13-F15 WeakPolarHBondContact O-CD2 3.43Å; Y13-F15 PolarHBondContact O-N 3.45Å
14	G	24.3	Very low	29.1	Very low	68 Å²	68	114.1 Å²	114.1	70%	0.701	66%	0.66	S	S	*	*			trans	-58.5	106.6	167.4	0	0	0	0	0	108.5	S12 R16	S12-G14 VanDerWaalsContact C-N 3.33Å; S12-G14 PolarHBondContact O-N 3.37Å; G14-R16 PolarHBondContact O-N 2.79Å
15	F	27.5	Very low	29.8	Very low	165 Å²	165	115 Å²	115	72%	0.724	65%	0.652	S	S	*	*			trans	-69.8	96.6	174.6	-73.4	-86.1	0	0	0	108.3	Y13 C17	Y13-F15 WeakPolarHBondContact O-CD2 3.43Å; Y13-F15 PolarHBondContact O-N 3.45Å; F15-C17 PolarHBondContact O-N 3.12Å; F15-C17 VanDerWaalsContact O-N 3.09Å
16	R	28.8	Very low	30.4	Very low	243 Å²	243	112.7 Å²	112.7	92%	0.917	63%	0.633	S	S	*	*			trans	-68.7	103.9	167.1	-80	-175.6	173.6	-173.6	-1.7	108.2	G14 C18	G14-R16 PolarHBondContact O-N 2.79Å; R16-C18 PolarHBondContact O-N 3.13Å
17	C	31.6	Very low	31.1	Very low	86 Å²	86	113.3 Å²	113.3	58%	0.581	63%	0.628	S	S	*	*			trans	-59.9	126.6	171.5	-165.3	0	0	0	0	109	F15 K19	F15-C17 PolarHBondContact O-N 3.12Å; F15-C17 VanDerWaalsContact O-N 3.09Å; C17-K19 PolarHBondContact O-N 2.8Å; C17-K19 VanDerWaalsContact O-N 3.11Å
18	C	35.3	Very low	31.7	Very low	60 Å²	60	116.7 Å²	116.7	41%	0.405	63%	0.625	S	S	.	*			trans	-74.9	105.1	-178.5	-162.6	0	0	0	0	108.7	R16 A20 C21	R16-C18 PolarHBondContact O-N 3.13Å; C18-A20 PolarHBondContact O-N 3.35Å; C18-C21 PolarHBondContact O-N 3.02Å
19	K	38.1	Very low	32.4	Very low	151 Å²	151	119.1 Å²	119.1	66%	0.657	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-11.8	174.4	-74.9	-174.3	175.8	-174.9	0	113.9	C17 H54	C17-K19 PolarHBondContact O-N 2.8Å; C17-K19 VanDerWaalsContact O-N 3.11Å; K19-H54 VanDerWaalsContact CE-CE1 3.49Å; K19-H54 WeakPolarHBondContact CE-CE1 3.48Å; K19-H54 WeakPolarHBondContact CE-NE2 3.39Å; K19-H54 PolarHBondContact NZ-CE1 3.07Å; K19-H54 PolarHBondContact NZ-NE2 3.45Å
20	A	35.9	Very low	33.1	Very low	89 Å²	89	117.6 Å²	117.6	74%	0.736	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	5.1	-176.1	0	0	0	0	0	114.3	C18	C18-A20 PolarHBondContact O-N 3.35Å
21	C	38.2	Very low	33.5	Very low	16 Å²	16	114.5 Å²	114.5	11%	0.108	61%	0.609	C	S	.	*			trans	-85.1	118	178.1	174.9	0	0	0	0	111.7	C18 Y23 C24 Q25 H156	C18-C21 PolarHBondContact O-N 3.02Å; C21-Y23 PolarHBondContact O-N 2.9Å; C21-Y23 VanDerWaalsContact SG-CB 3.54Å; C21-Y23 PolarHBondContact SG-N 3.45Å; C21-C24 HydrophobicContact CB-CB 3.94Å; C21-C24 PolarHBondContact O-N 3Å; C21-C24 PolarHBondContact SG-N 3.14Å; C21-C24 VanDerWaalsContact SG-N 3.45Å; C21-Q25 PolarHBondContact O-N 2.88Å; C21-H156 PolarHBondContact SG-CE1 3.06Å; C21-H156 PolarHBondContact SG-NE2 3.48Å
22	E	38.3	Very low	34.2	Very low	163 Å²	163	114.6 Å²	114.6	76%	0.762	62%	0.615	S	S	*	*	H	α-helix	trans	-54.6	-35	174.9	-70.4	-174.3	151.7	0	0	112.8	Q25 A26	E22-Q25 VanDerWaalsContact O-CB 3.31Å; E22-Q25 WeakPolarHBondContact O-CB 3.35Å; E22-Q25 PolarHBondContact O-N 2.68Å; E22-A26 PolarHBondContact O-N 3.33Å
23	Y	35.7	Very low	34.6	Very low	164 Å²	164	117.8 Å²	117.8	64%	0.643	62%	0.618	S	S	*	*	H	α-helix	trans	-69	-39.9	176.1	-119.3	-89.4	0	0	0	112.8	C21 Q25 A26 I27 H156	C21-Y23 PolarHBondContact O-N 2.9Å; C21-Y23 VanDerWaalsContact SG-CB 3.54Å; C21-Y23 PolarHBondContact SG-N 3.45Å; Y23-Q25 PolarHBondContact O-N 3.29Å; Y23-A26 PolarHBondContact O-N 2.95Å; Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 3.33Å; Y23-I27 VanDerWaalsContact O-N 3.13Å; Y23-H156 WeakPolarHBondContact CB-NE2 3.47Å; Y23-H156 AromaticContact CG-NE2 3.91Å
24	C	38.1	Very low	34.8	Very low	31 Å²	31	114.3 Å²	114.3	21%	0.209	62%	0.62	C	S	.	*	H	α-helix	trans	-68.7	-26.3	173.9	-64.4	0	0	0	0	111.7	C21 R28	C21-C24 HydrophobicContact CB-CB 3.94Å; C21-C24 PolarHBondContact O-N 3Å; C21-C24 PolarHBondContact SG-N 3.14Å; C21-C24 VanDerWaalsContact SG-N 3.45Å; C24-R28 PolarHBondContact O-N 3.13Å
25	Q	38.8	Very low	34.9	Very low	122 Å²	122	120 Å²	120	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-72.3	-38.7	172.7	-131.4	177.7	9.8	0	0	112	C21 E22 Y23 R28 K29	C21-Q25 PolarHBondContact O-N 2.88Å; E22-Q25 VanDerWaalsContact O-CB 3.31Å; E22-Q25 WeakPolarHBondContact O-CB 3.35Å; E22-Q25 PolarHBondContact O-N 2.68Å; Y23-Q25 PolarHBondContact O-N 3.29Å; Q25-R28 PolarHBondContact O-N 3.46Å; Q25-K29 PolarHBondContact O-N 3.47Å
26	A	37.3	Very low	35	Very low	57 Å²	57	117.5 Å²	117.5	47%	0.471	63%	0.626	S	S	.	*	H	α-helix	trans	-67	-40.9	176.5	0	0	0	0	0	112.7	E22 Y23 R28 K29 A30	E22-A26 PolarHBondContact O-N 3.33Å; Y23-A26 PolarHBondContact O-N 2.95Å; A26-R28 VanDerWaalsContact C-N 3.34Å; A26-R28 PolarHBondContact O-N 3.13Å; A26-K29 PolarHBondContact O-N 2.98Å; A26-A30 PolarHBondContact O-N 3.48Å
27	I	39.1	Very low	34.8	Very low	115 Å²	115	112.4 Å²	112.4	59%	0.59	62%	0.615	S	S	*	*	H	α-helix	trans	-67.8	-34.8	177	-63.1	169.2	0	0	0	111.3	Y23 K29 A30 G31	Y23-I27 WeakPolarHBondContact O-CG1 3.33Å; Y23-I27 PolarHBondContact O-N 3.33Å; Y23-I27 VanDerWaalsContact O-N 3.13Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.28Å; I27-A30 PolarHBondContact O-N 3.3Å; I27-G31 PolarHBondContact O-N 3.2Å; I27-G31 VanDerWaalsContact O-N 3.08Å
28	R	36.5	Very low	34.7	Very low	174 Å²	174	115.2 Å²	115.2	66%	0.657	63%	0.625	S	S	*	*	H	α-helix	trans	-62.5	-36.7	172.4	-102.7	-173.3	-172.7	-168.4	0.5	113.1	C24 Q25 A26 T32	C24-R28 PolarHBondContact O-N 3.13Å; Q25-R28 PolarHBondContact O-N 3.46Å; A26-R28 VanDerWaalsContact C-N 3.34Å; A26-R28 PolarHBondContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 2.92Å
29	K	38.1	Very low	34.3	Very low	155 Å²	155	119 Å²	119	67%	0.674	64%	0.641	S	S	*	*	H	α-helix	trans	-73.7	-35.2	176.7	-74.1	-175.4	174.8	-175.1	0	112.3	Q25 A26 I27 T32	Q25-K29 PolarHBondContact O-N 3.47Å; A26-K29 PolarHBondContact O-N 2.98Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.28Å; K29-T32 PolarHBondContact O-OG1 3.03Å
30	A	36.8	Very low	33.9	Very low	84 Å²	84	119 Å²	119	69%	0.694	65%	0.648	S	S	*	*	H	α-helix	trans	-76.1	-23	178.5	0	0	0	0	0	114.1	A26 I27	A26-A30 PolarHBondContact O-N 3.48Å; I27-A30 PolarHBondContact O-N 3.3Å
31	G	33.6	Very low	33.7	Very low	66 Å²	66	120.2 Å²	120.2	68%	0.68	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	2.7	-178.3	0	0	0	0	0	115.8	I27	I27-G31 PolarHBondContact O-N 3.2Å; I27-G31 VanDerWaalsContact O-N 3.08Å
32	T	37.4	Very low	33.2	Very low	113 Å²	113	127.8 Å²	127.8	69%	0.693	69%	0.691	S	S	*	*	S	Bend	trans	-109.5	2.4	-173.9	34.2	0	0	0	0	114.3	R28 K29	R28-T32 PolarHBondContact O-OG1 2.92Å; K29-T32 PolarHBondContact O-OG1 3.03Å
33	E	32.2	Very low	32.8	Very low	175 Å²	175	127.9 Å²	127.9	82%	0.818	69%	0.691	S	S	*	*			trans	-119.1	12.8	-173.3	-63.9	-173.6	172.2	0	0	114.7
34	S	30	Very low	32.5	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	70%	0.704	S	S	*	*			trans	-104.5	77	175.9	-147.6	0	0	0	0	110.8	V36	S34-V36 PolarHBondContact O-N 3.4Å
35	E	26	Very low	32.1	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	73%	0.729	S	S	*	*			trans	-62.2	100.5	162	-79	-175.9	152.6	0	0	108.9
36	V	28.7	Very low	31.6	Very low	113 Å²	113	134 Å²	134	69%	0.685	74%	0.737	S	S	*	*			trans	-100.6	104	163.2	-178.8	0	0	0	0	107	S34 D38	S34-V36 PolarHBondContact O-N 3.4Å; V36-D38 PolarHBondContact O-N 3.15Å; V36-D38 VanDerWaalsContact O-N 3.13Å
37	I	25.4	Very low	31.1	Very low	136 Å²	136	138.9 Å²	138.9	70%	0.697	75%	0.754	S	S	*	*			trans	-66.8	101.2	173.6	-59.2	167.1	0	0	0	107.7
38	D	29.8	Very low	30.5	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	76%	0.761	S	S	*	*			trans	-106.2	98	166.5	-106.3	-25.5	0	0	0	109.9	V36 N40	V36-D38 PolarHBondContact O-N 3.15Å; V36-D38 VanDerWaalsContact O-N 3.13Å; D38-N40 VanDerWaalsContact C-N 3.3Å; D38-N40 PolarHBondContact O-N 3.06Å
39	N	27.3	Very low	30	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	77%	0.772	S	S	*	*			trans	-71	81	168.3	-81.5	-34.8	0	0	0	109.4
40	N	27.9	Very low	29.4	Very low	152 Å²	152	138 Å²	138	81%	0.813	77%	0.772	S	S	*	*	S	Bend	trans	169.4	130.9	146.9	-91.1	-34.5	0	0	0	110.3	D38	D38-N40 VanDerWaalsContact C-N 3.3Å; D38-N40 PolarHBondContact O-N 3.06Å
41	S	32.2	Very low	28.9	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	78%	0.778	S	S	*	*			trans	82.1	112.4	170.9	76.9	0	0	0	0	117	Q43	S41-Q43 VanDerWaalsContact C-N 3.28Å; S41-Q43 PolarHBondContact O-N 2.89Å
42	N	27.7	Very low	28.5	Very low	175 Å²	175	144 Å²	144	94%	0.936	79%	0.786	S	S	*	*	S	Bend	trans	-66.3	64.3	178.9	-68.7	-26	0	0	0	113.8
43	Q	30.1	Very low	27.9	Very low	165 Å²	165	146.5 Å²	146.5	77%	0.771	79%	0.789	S	S	*	*			trans	-143.6	93.4	169.3	-95.9	-177.4	-7.1	0	0	111.1	S41 N45	S41-Q43 VanDerWaalsContact C-N 3.28Å; S41-Q43 PolarHBondContact O-N 2.89Å; Q43-N45 PolarHBondContact O-N 3.08Å
44	E	29.9	Very low	27.7	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	78%	0.778	S	S	*	*			trans	-61.9	102.6	163.7	-69.9	-176.6	159.6	0	0	109.2
45	N	28.5	Very low	27.5	Very low	138 Å²	138	143.6 Å²	143.6	74%	0.738	77%	0.774	S	S	*	*			trans	-107.2	104.9	169.8	-114.5	-13.5	0	0	0	108.1	Q43 L47	Q43-N45 PolarHBondContact O-N 3.08Å; N45-L47 PolarHBondContact O-N 3.09Å; N45-L47 VanDerWaalsContact O-N 3.13Å
46	P	29.8	Very low	27.4	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	77%	0.772	S	S	*	*			trans	-68.5	115.3	179.7	26.4	-30.4	0	0	0	109.1	Y48	P46-Y48 PolarHBondContact O-N 3.44Å
47	L	27.2	Very low	27.4	Very low	159 Å²	159	143 Å²	143	83%	0.832	78%	0.778	S	S	*	*	S	Bend	trans	-70.3	39.6	178.1	-94.9	161.2	0	0	0	113.2	N45	N45-L47 PolarHBondContact O-N 3.09Å; N45-L47 VanDerWaalsContact O-N 3.13Å
48	Y	26.4	Very low	27.3	Very low	189 Å²	189	142.1 Å²	142.1	74%	0.741	78%	0.784	S	S	*	*	S	Bend	trans	-160.1	126.3	166.7	-87.6	-79.8	0	0	0	109.1	P46 C50	P46-Y48 PolarHBondContact O-N 3.44Å; Y48-C50 PolarHBondContact O-N 3.31Å
49	P	25.3	Very low	27.2	Very low	137 Å²	137	139.8 Å²	139.8	89%	0.89	79%	0.785	S	S	*	*			trans	-77.5	68.2	169.2	33.1	-31	0	0	0	108.7
50	C	25.4	Very low	27	Very low	99 Å²	99	140.6 Å²	140.6	67%	0.669	79%	0.79	S	S	*	*			trans	-82.7	111.3	159.6	-80.2	0	0	0	0	106.3	Y48 S52	Y48-C50 PolarHBondContact O-N 3.31Å; C50-S52 PolarHBondContact O-N 3Å
51	L	26.8	Very low	26.9	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	79%	0.792	S	S	*	*			trans	-36	106.9	172	-75.6	158.1	0	0	0	111.3	E53	L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 3.31Å
52	S	24.3	Very low	26.5	Very low	120 Å²	120	138.7 Å²	138.7	84%	0.839	79%	0.786	S	S	*	*			trans	-71.3	84	169.4	-44.6	0	0	0	0	108.9	C50	C50-S52 PolarHBondContact O-N 3Å
53	E	25.7	Very low	26.4	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	78%	0.779	S	S	*	*			trans	-133.5	70.9	164.8	-80.1	-167.3	170.9	0	0	110	L51	L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 3.31Å
54	H	27.8	Very low	26.2	Very low	126 Å²	126	137.4 Å²	137.4	58%	0.583	78%	0.78	S	S	*	*			trans	-153.6	136.1	156.2	-77.7	-30.1	0	0	0	105.7	K19	K19-H54 VanDerWaalsContact CE-CE1 3.49Å; K19-H54 WeakPolarHBondContact CE-CE1 3.48Å; K19-H54 WeakPolarHBondContact CE-NE2 3.39Å; K19-H54 PolarHBondContact NZ-CE1 3.07Å; K19-H54 PolarHBondContact NZ-NE2 3.45Å
55	S	25.8	Very low	25.9	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	77%	0.773	S	S	*	*			cis	172.2	108.1	-0.7	40.3	0	0	0	0	101.2
56	N	24.3	Very low	25.7	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	77%	0.771	S	S	*	*			trans	-154	136.6	168.1	-83.3	-31.2	0	0	0	106
57	T	27.4	Very low	25.5	Very low	131 Å²	131	129.3 Å²	129.3	80%	0.804	78%	0.775	S	S	*	*			trans	80.4	98.1	-174.7	73.5	0	0	0	0	112.7
58	S	24.6	Very low	25.5	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	77%	0.772	S	S	*	*				50.6	84.6	60.1	88.6	0	0	0	0	112
59	A	26.6	Very low	25.5	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	77%	0.769	S	S	*	*			trans	-170.6	105.9	146.2	0	0	0	0	0	107.8
60	D	23.5	Very low	25.5	Very low	156 Å²	156	128.6 Å²	128.6	83%	0.834	76%	0.763	S	S	*	*			trans	-39.6	136.4	143.5	-73.2	-54.3	0	0	0	110.1
61	C	25.7	Very low	25.4	Very low	129 Å²	129	128.8 Å²	128.8	87%	0.872	76%	0.763	S	S	*	*				178.7	130.5	125	-90.1	0	0	0	0	109.1
62	S	23.4	Very low	25.7	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	77%	0.765	S	S	*	*			trans	-68.1	172.2	179.2	55	0	0	0	0	113.5
63	E	25.2	Very low	25.7	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	76%	0.761	S	S	*	*			trans	92.3	140.8	146	-77.5	168	177.5	0	0	121
64	D	26	Very low	25.7	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	76%	0.762	S	S	*	*			trans	76.8	97.7	160.4	-63.2	-21.4	0	0	0	119.3
65	A	24.7	Very low	25.8	Very low	95 Å²	95	124.4 Å²	124.4	79%	0.785	77%	0.77	S	S	*	*				73.3	112.7	70.1	0	0	0	0	0	113
66	G	23.6	Very low	25.9	Very low	68 Å²	68	127.8 Å²	127.8	70%	0.701	78%	0.779	S	S	*	*			trans	96.5	139.1	133.3	0	0	0	0	0	116.8
67	S	26.4	Very low	26	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	78%	0.782	S	S	*	*			trans	87.6	132.1	156.7	87.5	0	0	0	0	116.2
68	F	25.6	Very low	26	Very low	175 Å²	175	137 Å²	137	77%	0.768	79%	0.788	S	S	*	*			cis	177.9	144.6	-4.5	-125.8	-142.9	0	0	0	104.4
69	L	26.6	Very low	26.3	Very low	132 Å²	132	136.9 Å²	136.9	69%	0.691	78%	0.784	S	S	*	*			trans	55.1	143.8	142.4	-52.7	178	0	0	0	119.4
70	E	25.9	Very low	26.3	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	78%	0.782	S	S	*	*			cis	-174.2	159.2	-1.9	-125.8	-173.9	131.5	0	0	104.3
71	P	24.5	Very low	26.2	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	78%	0.777	S	S	*	*			trans	-89.2	141.2	176.9	34.5	-26.9	0	0	0	111.2	T73	P71-T73 PolarHBondContact O-N 3.12Å
72	P	31.4	Very low	26.2	Very low	133 Å²	133	137.9 Å²	137.9	86%	0.864	78%	0.777	S	S	*	*			trans	-86.5	114.4	174.9	31.3	-28.3	0	0	0	111.3
73	T	25.8	Very low	26.2	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	79%	0.788	S	S	*	*			trans	-83.4	149.1	160	41.7	0	0	0	0	112.1	P71	P71-T73 PolarHBondContact O-N 3.12Å
74	S	25.8	Very low	26.1	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	79%	0.789	S	S	*	*			trans	83.7	113.8	154.5	77.3	0	0	0	0	120.1
75	S	29	Very low	26	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	79%	0.786	S	S	*	*				168	118.6	105	64.7	0	0	0	0	113.6
76	I	27	Very low	25.9	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	79%	0.791	S	S	*	*			trans	33.1	103.1	130.3	-44.4	171.9	0	0	0	118.6
77	R	27.9	Very low	25.9	Very low	238 Å²	238	144.5 Å²	144.5	90%	0.898	80%	0.797	S	S	*	*				165.7	112.6	125.8	-100.5	-178.5	-179.8	177.6	0.8	113
78	R	26.8	Very low	25.7	Very low	244 Å²	244	143.6 Å²	143.6	92%	0.921	79%	0.789	S	S	*	*			trans	42	156.8	138.2	-84.2	-164.5	-178.6	166.8	1.8	122.9
79	P	31.3	Very low	25.8	Very low	116 Å²	116	141.3 Å²	141.3	75%	0.753	79%	0.791	S	S	*	*			trans	-103.5	150.3	-140	39.4	-32.5	0	0	0	114
80	S	25.5	Very low	25.6	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	80%	0.795	S	S	*	*			trans	-167.5	123	161.8	31	0	0	0	0	108.4
81	G	21.8	Very low	25.5	Very low	70 Å²	70	141 Å²	141	72%	0.722	79%	0.793	S	S	*	*			trans	-67.3	154.7	-175.2	0	0	0	0	0	113.4
82	Y	26.1	Very low	25.5	Very low	223 Å²	223	141.6 Å²	141.6	88%	0.875	80%	0.798	S	S	*	*			trans	-140.9	109	151.7	-83.5	-81.4	0	0	0	107.9
83	L	22.8	Very low	25	Very low	170 Å²	170	143.5 Å²	143.5	89%	0.89	80%	0.796	S	S	*	*			trans	-54.5	133	152.4	-87.4	146.4	0	0	0	108.6
84	C	23.4	Very low	25	Very low	119 Å²	119	141.5 Å²	141.5	80%	0.804	79%	0.787	S	S	*	*			trans	175.4	132.6	152.7	-95.5	0	0	0	0	106.8
85	T	23.3	Very low	24.9	Very low	118 Å²	118	143.8 Å²	143.8	72%	0.724	79%	0.79	S	S	*	*			cis	-168.8	120.6	-4.8	11	0	0	0	0	102.5	L87	T85-L87 PolarHBondContact O-N 3Å
86	T	23.7	Very low	24.7	Very low	144 Å²	144	148.1 Å²	148.1	88%	0.883	79%	0.791	S	S	*	*			trans	-64.8	105.4	168	42.3	0	0	0	0	107.9
87	L	23.6	Very low	24.5	Very low	159 Å²	159	151.4 Å²	151.4	83%	0.832	79%	0.793	S	S	*	*			trans	-62.4	135.1	167.6	-81.3	163.6	0	0	0	108.8	T85	T85-L87 PolarHBondContact O-N 3Å
88	P	22.1	Very low	24.3	Very low	95 Å²	95	146.7 Å²	146.7	62%	0.617	79%	0.791	S	S	*	*			trans	-73.3	141.7	-174.4	31	-32.6	0	0	0	109.5	K90	P88-K90 VanDerWaalsContact C-N 3.34Å; P88-K90 PolarHBondContact O-N 3.27Å
89	P	26.7	Very low	24.1	Very low	126 Å²	126	140.5 Å²	140.5	82%	0.818	78%	0.78	S	S	*	*			trans	-66.3	101.6	162.2	27.9	-27.9	0	0	0	106.7
90	K	23.8	Very low	23.7	Very low	176 Å²	176	139 Å²	139	77%	0.765	78%	0.778	S	S	*	*			trans	-52.1	136.2	173.2	-80.1	-179.4	174.9	176	0	109.2	P88 C92	P88-K90 VanDerWaalsContact C-N 3.34Å; P88-K90 PolarHBondContact O-N 3.27Å; K90-C92 PolarHBondContact O-N 2.97Å; K90-C92 VanDerWaalsContact O-N 3.09Å
91	P	22.5	Very low	23.7	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	77%	0.774	S	S	*	*			trans	-73.3	103.7	172.8	30.2	-29.4	0	0	0	107.8	H93	P91-H93 VanDerWaalsContact C-N 3.26Å; P91-H93 PolarHBondContact O-N 3.11Å
92	C	24.5	Very low	23.8	Very low	116 Å²	116	142.4 Å²	142.4	78%	0.784	78%	0.777	S	S	*	*			trans	-74.2	89.1	165.9	-66.4	0	0	0	0	107.9	K90 S94	K90-C92 PolarHBondContact O-N 2.97Å; K90-C92 VanDerWaalsContact O-N 3.09Å; C92-S94 PolarHBondContact O-N 2.65Å; C92-S94 VanDerWaalsContact O-N 3.08Å
93	H	22.7	Very low	23.9	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.806	78%	0.778	S	S	*	*			trans	-59.1	100.2	153.6	-86	-79.9	0	0	0	108.1	P91	P91-H93 VanDerWaalsContact C-N 3.26Å; P91-H93 PolarHBondContact O-N 3.11Å
94	S	25.7	Very low	23.9	Very low	81 Å²	81	139.2 Å²	139.2	57%	0.566	77%	0.77	S	S	*	*			trans	-127	115	157	56.5	0	0	0	0	108.4	C92 Y96	C92-S94 PolarHBondContact O-N 2.65Å; C92-S94 VanDerWaalsContact O-N 3.08Å; S94-Y96 VanDerWaalsContact C-N 3.3Å; S94-Y96 PolarHBondContact O-N 3.36Å
95	N	22.3	Very low	24.1	Very low	160 Å²	160	139.3 Å²	139.3	86%	0.856	77%	0.77	S	S	*	*			trans	-62.7	85.4	177.3	-64.5	-43.8	0	0	0	109.8	R97	N95-R97 PolarHBondContact O-N 3.25Å
96	Y	24.9	Very low	24.2	Very low	198 Å²	198	141.6 Å²	141.6	78%	0.776	78%	0.776	S	S	*	*			trans	-87.1	91.5	162.6	-88	-84	0	0	0	108.6	S94 T98	S94-Y96 VanDerWaalsContact C-N 3.3Å; S94-Y96 PolarHBondContact O-N 3.36Å; Y96-T98 PolarHBondContact O-N 3.25Å
97	R	22.2	Very low	24.2	Very low	230 Å²	230	142.9 Å²	142.9	87%	0.868	77%	0.772	S	S	*	*			trans	-51.3	119.9	154.8	-101.8	-175.8	178.3	-166.6	-0.4	107	N95 V99	N95-R97 PolarHBondContact O-N 3.25Å; R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.27Å
98	T	24.4	Very low	24.4	Very low	140 Å²	140	142 Å²	142	86%	0.859	77%	0.773	S	S	*	*			trans	-60.8	95.6	163.1	-40.9	0	0	0	0	107	Y96 A100	Y96-T98 PolarHBondContact O-N 3.25Å; T98-A100 PolarHBondContact O-N 3.1Å
99	V	23.7	Very low	24.6	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.685	77%	0.771	S	S	*	*			trans	-70.6	108.3	163.8	179.7	0	0	0	0	105	R97 C101	R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.27Å; V99-C101 PolarHBondContact O-N 3.26Å
100	A	22.8	Very low	24.4	Very low	86 Å²	86	141.2 Å²	141.2	71%	0.711	77%	0.773	S	S	*	*			trans	-58.8	105.3	166.2	0	0	0	0	0	107.5	T98	T98-A100 PolarHBondContact O-N 3.1Å
101	C	25.5	Very low	24.4	Very low	101 Å²	101	137.8 Å²	137.8	68%	0.682	77%	0.771	S	S	*	*			trans	-94.6	105.9	164.5	-72.1	0	0	0	0	107.1	V99 L103	V99-C101 PolarHBondContact O-N 3.26Å; C101-L103 PolarHBondContact O-N 3.02Å
102	D	23.6	Very low	24.5	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	78%	0.78	S	S	*	*			trans	-50.7	99.1	163.1	-77.2	-43.8	0	0	0	109.4	H104	D102-H104 VanDerWaalsContact C-N 3.31Å; D102-H104 PolarHBondContact O-N 3.47Å
103	L	26.9	Very low	24.5	Very low	168 Å²	168	145.1 Å²	145.1	88%	0.88	78%	0.781	S	S	*	*			trans	-75.4	88.6	168.4	-85.8	152.6	0	0	0	107.9	C101	C101-L103 PolarHBondContact O-N 3.02Å
104	H	24.7	Very low	24.7	Very low	158 Å²	158	142.4 Å²	142.4	73%	0.731	78%	0.779	S	S	*	*			trans	-57.2	136.8	155.9	-88.2	19.4	0	0	0	109.5	D102 L106	D102-H104 VanDerWaalsContact C-N 3.31Å; D102-H104 PolarHBondContact O-N 3.47Å; H104-L106 PolarHBondContact O-N 3.1Å
105	P	25.9	Very low	24.7	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	79%	0.787	S	S	*	*			trans	-71.8	104.9	-179.7	29	-30.4	0	0	0	108.7	H107	P105-H107 PolarHBondContact O-N 3.16Å
106	L	26.3	Very low	24.8	Very low	166 Å²	166	144.6 Å²	144.6	87%	0.869	78%	0.783	S	S	*	*			trans	-67.9	100	166.8	-81.6	169.7	0	0	0	108.6	H104 V108	H104-L106 PolarHBondContact O-N 3.1Å; L106-V108 PolarHBondContact O-N 3.22Å
107	H	23.7	Very low	25	Very low	171 Å²	171	143.5 Å²	143.5	79%	0.792	79%	0.79	S	S	*	*			trans	-61.1	91.9	169.6	-159.9	-85	0	0	0	109	P105 S109	P105-H107 PolarHBondContact O-N 3.16Å; H107-S109 PolarHBondContact O-N 3.09Å
108	V	27.6	Very low	25.1	Very low	139 Å²	139	140.1 Å²	140.1	84%	0.842	78%	0.784	S	S	*	*			trans	-81.7	98.8	170.1	-178.2	0	0	0	0	107.6	L106 S110	L106-V108 PolarHBondContact O-N 3.22Å; V108-S110 PolarHBondContact O-N 3.07Å
109	S	25.2	Very low	25.2	Very low	85 Å²	85	142.8 Å²	142.8	59%	0.594	78%	0.778	S	S	*	*			trans	-54	130.7	173.3	-57.3	0	0	0	0	111.1	H107 S111	H107-S109 PolarHBondContact O-N 3.09Å; S109-S111 PolarHBondContact O-N 3.13Å
110	S	23	Very low	25.3	Very low	121 Å²	121	142.8 Å²	142.8	85%	0.846	78%	0.783	S	S	*	*			trans	-54.6	117.9	175.3	54.7	0	0	0	0	112.6	V108	V108-S110 PolarHBondContact O-N 3.07Å
111	S	23.7	Very low	25.6	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	78%	0.783	S	S	*	*			trans	-154	56	159.3	65.5	0	0	0	0	110.6	S109	S109-S111 PolarHBondContact O-N 3.13Å
112	F	25.9	Very low	25.6	Very low	208 Å²	208	145.8 Å²	145.8	91%	0.912	79%	0.785	S	S	*	*			trans	-143.1	100.3	159.8	-96.2	-80.4	0	0	0	108.6
113	E	23.9	Very low	25.7	Very low	173 Å²	173	146 Å²	146	81%	0.808	79%	0.786	S	S	*	*			trans	-64.3	126.4	172.2	-159.2	175.9	-157	0	0	108.6	T115	E113-T115 PolarHBondContact O-N 3.46Å
114	P	26.3	Very low	25.8	Very low	118 Å²	118	147.3 Å²	147.3	77%	0.766	79%	0.787	S	S	*	*			trans	-76.3	95.4	178.4	29	-29.4	0	0	0	108.6	H116	P114-H116 PolarHBondContact O-N 2.88Å
115	T	26.3	Very low	25.9	Very low	121 Å²	121	147.4 Å²	147.4	74%	0.742	79%	0.792	S	S	*	*			trans	-63.4	101.1	165.8	31.3	0	0	0	0	109.2	E113 L117	E113-T115 PolarHBondContact O-N 3.46Å; T115-L117 PolarHBondContact O-N 3.35Å
116	H	25.2	Very low	26.1	Very low	165 Å²	165	146.9 Å²	146.9	76%	0.764	79%	0.791	S	S	*	*			trans	10.8	80.4	155.7	-73.1	-98.5	0	0	0	116.3	P114 H118	P114-H116 PolarHBondContact O-N 2.88Å; H116-H118 PolarHBondContact O-N 3.12Å; H116-H118 VanDerWaalsContact O-N 3.08Å
117	L	27.7	Very low	26	Very low	176 Å²	176	148 Å²	148	92%	0.921	79%	0.792	S	S	*	*			trans	-81.8	81.5	154.9	-81.7	166.7	0	0	0	108.1	T115 R119	T115-L117 PolarHBondContact O-N 3.35Å; L117-R119 PolarHBondContact O-N 3.05Å
118	H	25.2	Very low	26.3	Very low	159 Å²	159	147.4 Å²	147.4	74%	0.736	79%	0.793	S	S	*	*			trans	-48.5	110.2	166.4	-116.8	-90.5	0	0	0	109.1	H116 S120	H116-H118 PolarHBondContact O-N 3.12Å; H116-H118 VanDerWaalsContact O-N 3.08Å; H118-S120 VanDerWaalsContact C-N 3.34Å; H118-S120 PolarHBondContact O-N 3.35Å
119	R	26	Very low	26.2	Very low	195 Å²	195	149.4 Å²	149.4	74%	0.736	79%	0.793	S	S	*	*			trans	-66.5	100	156.2	-80.9	-177.1	173.4	-152.6	-0.5	106.4	L117 Y121	L117-R119 PolarHBondContact O-N 3.05Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 HydrophobicContact CB-CD2 4.17Å; R119-Y121 HydrophobicContact CB-CE2 3.99Å; R119-Y121 PolarHBondContact O-N 3.24Å
120	S	26.8	Very low	26.5	Very low	114 Å²	114	154.7 Å²	154.7	80%	0.797	81%	0.809	S	S	*	*			trans	-67	92.4	166.5	54.9	0	0	0	0	108.3	H118 G122	H118-S120 VanDerWaalsContact C-N 3.34Å; H118-S120 PolarHBondContact O-N 3.35Å; S120-G122 PolarHBondContact O-N 2.83Å
121	Y	27.5	Very low	26.6	Very low	181 Å²	181	155.2 Å²	155.2	71%	0.71	80%	0.802	S	S	*	*			trans	-66	124	158.3	-78.9	-89.8	0	0	0	107.5	R119	R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 HydrophobicContact CB-CD2 4.17Å; R119-Y121 HydrophobicContact CB-CE2 3.99Å; R119-Y121 PolarHBondContact O-N 3.24Å
122	G	26.4	Very low	26.8	Very low	69 Å²	69	157.7 Å²	157.7	71%	0.711	80%	0.802	S	S	*	*			trans	-68.6	146.2	175.7	0	0	0	0	0	111.8	S120	S120-G122 PolarHBondContact O-N 2.83Å
123	N	25.1	Very low	26.7	Very low	154 Å²	154	153.1 Å²	153.1	82%	0.824	80%	0.795	S	S	*	*			trans	65.1	91.4	163.6	-75.4	3.3	0	0	0	117.5
124	E	29.9	Very low	26.9	Very low	194 Å²	194	150.4 Å²	150.4	91%	0.907	80%	0.796	S	S	*	*				-130.1	119.4	126.5	-69.5	-161.6	167.3	0	0	109
125	L	26.1	Very low	26.9	Very low	161 Å²	161	150.9 Å²	150.9	84%	0.843	80%	0.796	S	S	*	*			trans	-73.2	123.9	171.5	-72.2	155.5	0	0	0	107.8
126	S	30.2	Very low	26.9	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	80%	0.803	S	S	*	*			trans	-149.7	106.8	152.4	-48.9	0	0	0	0	108.2	I128	S126-I128 PolarHBondContact O-N 3.34Å
127	E	25	Very low	27	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	81%	0.807	S	S	*	*			trans	-58.5	117.4	168.5	-65.2	162.7	157.1	0	0	109.4
128	I	30.2	Very low	26.8	Very low	157 Å²	157	150 Å²	150	81%	0.805	80%	0.802	S	S	*	*			trans	-138.3	106.1	151	-62.5	-176.1	0	0	0	107	S126	S126-I128 PolarHBondContact O-N 3.34Å
129	E	25.4	Very low	26.8	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	80%	0.798	S	S	*	*			trans	-54.6	129.6	164.4	-63.1	167.9	142.9	0	0	109.9
130	Q	30.2	Very low	26.8	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	81%	0.808	S	S	*	*			trans	-162.7	134.3	137.4	-118.8	169.1	-7.1	0	0	113.4
131	D	25.2	Very low	26.7	Very low	131 Å²	131	151 Å²	151	70%	0.701	81%	0.808	S	S	*	*			trans	-77.9	152.8	-168.2	-93.9	-34.4	0	0	0	115.5
132	H	28.2	Very low	26.6	Very low	157 Å²	157	149 Å²	149	73%	0.727	82%	0.815	S	S	*	*			trans	60.6	120.3	138	-58.5	-38.6	0	0	0	122.8
133	S	24.1	Very low	26.3	Very low	111 Å²	111	151.8 Å²	151.8	78%	0.776	82%	0.818	S	S	*	*				69.7	106.3	127.3	65	0	0	0	0	119.8
134	S	28.9	Very low	26.3	Very low	117 Å²	117	149 Å²	149	82%	0.818	81%	0.811	S	S	*	*				-166.6	116.9	129.4	51	0	0	0	0	111.6
135	T	24.6	Very low	25.9	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	81%	0.805	S	S	*	*			trans	-56.7	134	170	-47.5	0	0	0	0	112.6
136	T	27.7	Very low	25.8	Very low	142 Å²	142	145.5 Å²	145.5	87%	0.871	80%	0.804	S	S	*	*			trans	-150.1	126.1	143.1	-8.4	0	0	0	0	111
137	Q	26.2	Very low	25.5	Very low	184 Å²	184	150.2 Å²	150.2	86%	0.86	81%	0.813	S	S	*	*			trans	-75.2	148.5	-176.6	-68.7	167.4	-17	0	0	112.4
138	S	23.5	Very low	25.4	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	79%	0.793	S	S	*	*			trans	-150.8	145.2	151.8	-178.7	0	0	0	0	109.1
139	P	25.6	Very low	25.2	Very low	101 Å²	101	143.7 Å²	143.7	66%	0.656	80%	0.797	S	S	*	*			trans	-113.4	115.7	-139.2	35.6	-23.3	0	0	0	113.2
140	Y	27.2	Very low	25.2	Very low	241 Å²	241	143.6 Å²	143.6	95%	0.945	80%	0.796	S	S	*	*			trans	-153.2	96.8	143.4	-84	-70.2	0	0	0	107.5
141	N	23	Very low	25.1	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	79%	0.787	S	S	*	*			trans	-98.7	105.1	-179.7	-141.6	8.9	0	0	0	107.3
142	T	25.1	Very low	25.3	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	80%	0.796	S	S	*	*			trans	-129.6	86.7	154.7	32	0	0	0	0	108.2	S144	T142-S144 PolarHBondContact O-N 3.38Å
143	T	21.6	Very low	25.3	Very low	128 Å²	128	135.9 Å²	135.9	79%	0.785	78%	0.775	S	S	*	*			trans	-56.6	119.6	155.7	24.7	0	0	0	0	110.5
144	S	24.1	Very low	25.8	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	77%	0.768	S	S	*	*			trans	-164.6	87.6	154.2	178.3	0	0	0	0	106.5	T142	T142-S144 PolarHBondContact O-N 3.38Å
145	T	22.4	Very low	25.8	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	74%	0.74	S	S	*	*				29	92.5	104.1	55.1	0	0	0	0	112.8
146	D	23.8	Very low	26.3	Very low	155 Å²	155	129.6 Å²	129.6	83%	0.829	72%	0.724	S	S	*	*				-164.8	110.2	126.7	-96.5	-21.3	0	0	0	110.2	G148	D146-G148 PolarHBondContact O-N 2.98Å
147	H	24	Very low	26.6	Very low	209 Å²	209	128 Å²	128	97%	0.968	71%	0.713	S	S	*	*			trans	-63.7	87.9	155.6	-73.1	-64.6	0	0	0	107.6
148	G	23.5	Very low	26.7	Very low	45 Å²	45	126.3 Å²	126.3	46%	0.464	71%	0.709	S	S	.	*			trans	-114.5	110.1	174.7	0	0	0	0	0	109.9	D146 H150	D146-G148 PolarHBondContact O-N 2.98Å; G148-H150 PolarHBondContact O-N 2.91Å
149	D	24.2	Very low	26.9	Very low	167 Å²	167	124 Å²	124	89%	0.893	70%	0.703	S	S	*	*			trans	-48.2	94.7	166	-70.3	-52.6	0	0	0	110.4	P151	D149-P151 WeakPolarHBondContact O-CD 3.19Å
150	H	27.1	Very low	26.9	Very low	179 Å²	179	127.5 Å²	127.5	83%	0.829	71%	0.709	S	S	*	*			trans	-84.7	107.5	168	-83.9	-63	0	0	0	108.3	G148 L152	G148-H150 PolarHBondContact O-N 2.91Å; H150-L152 PolarHBondContact O-N 2.83Å; H150-L152 VanDerWaalsContact O-N 3.12Å
151	P	27.5	Very low	27.1	Very low	112 Å²	112	125.5 Å²	125.5	73%	0.727	71%	0.707	S	S	*	*			trans	-64.4	119.7	176	27.3	-32.3	0	0	0	107.9	D149 C153	D149-P151 WeakPolarHBondContact O-CD 3.19Å; P151-C153 PolarHBondContact O-N 3.5Å
152	L	28.9	Very low	27.5	Very low	169 Å²	169	123.1 Å²	123.1	89%	0.885	69%	0.694	S	S	*	*			trans	-38.2	108.4	171	-74.4	153.5	0	0	0	109.9	H150 C154	H150-L152 PolarHBondContact O-N 2.83Å; H150-L152 VanDerWaalsContact O-N 3.12Å; L152-C154 PolarHBondContact O-N 3.45Å; L152-C154 VanDerWaalsContact O-N 3.11Å
153	C	29.1	Very low	27.7	Very low	42 Å²	42	119.6 Å²	119.6	28%	0.284	67%	0.673	S	S	.	*			trans	-64.2	113.1	-179.5	-175.2	0	0	0	0	109.3	P151 C155	P151-C153 PolarHBondContact O-N 3.5Å; C153-C155 PolarHBondContact O-N 2.89Å
154	C	32.8	Very low	28.2	Very low	95 Å²	95	120.6 Å²	120.6	64%	0.642	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-61.9	-3.4	-180	-74.8	0	0	0	0	114.7	L152	L152-C154 PolarHBondContact O-N 3.45Å; L152-C154 VanDerWaalsContact O-N 3.11Å
155	C	30.2	Very low	28.7	Very low	32 Å²	32	120 Å²	120	22%	0.216	66%	0.655	C	S	.	*	G	3₁₀ helix	trans	-87.8	-4.2	-175.2	-59.1	0	0	0	0	114.2	C153	C153-C155 PolarHBondContact O-N 2.89Å
156	H	35.8	Very low	29.2	Very low	96 Å²	96	118 Å²	118	44%	0.444	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-100.9	12.7	176.8	-57.4	137.5	0	0	0	114.8	C21 Y23 I158	C21-H156 PolarHBondContact SG-CE1 3.06Å; C21-H156 PolarHBondContact SG-NE2 3.48Å; Y23-H156 WeakPolarHBondContact CB-NE2 3.47Å; Y23-H156 AromaticContact CG-NE2 3.91Å; H156-I158 VanDerWaalsContact C-N 3.32Å
157	V	33.1	Very low	29.7	Very low	108 Å²	108	119.3 Å²	119.3	66%	0.655	63%	0.633	S	S	*	*			trans	-103.3	43.8	168.8	-163.5	0	0	0	0	109.2
158	I	27.9	Very low	30.2	Very low	148 Å²	148	114.5 Å²	114.5	76%	0.759	61%	0.614	S	S	*	*			trans	-128	100.1	177.2	-50	177.8	0	0	0	106.4	H156	H156-I158 VanDerWaalsContact C-N 3.32Å
159	G	27.6	Very low	30.7	Very low	68 Å²	68	118.2 Å²	118.2	70%	0.701	61%	0.614	S	S	*	*	S	Bend	trans	166	-22.5	-173.8	0	0	0	0	0	112.2
160	F	26.4	Very low	31.2	Very low	176 Å²	176	119.9 Å²	119.9	77%	0.772	61%	0.608	S	S	*	*			trans	-122.4	110.2	168.2	-73.7	-88.1	0	0	0	109.2	L162	F160-L162 HydrophobicContact CB-CD1 3.62Å; F160-L162 HydrophobicContact CB-CG 4.38Å; F160-L162 PolarHBondContact O-N 3.45Å
161	H	31.9	Very low	31.5	Very low	198 Å²	198	120.8 Å²	120.8	92%	0.917	60%	0.604	S	S	*	*			trans	-59.5	76.2	153	-103.6	-81.9	0	0	0	107.2	P163	H161-P163 WeakPolarHBondContact O-CD 3.45Å
162	L	30	Very low	32	Very low	99 Å²	99	120 Å²	120	52%	0.518	59%	0.593	S	S	.	*			trans	-67	114.1	164.5	-84.6	108.9	0	0	0	105.1	F160 H164 L166	F160-L162 HydrophobicContact CB-CD1 3.62Å; F160-L162 HydrophobicContact CB-CG 4.38Å; F160-L162 PolarHBondContact O-N 3.45Å; L162-H164 PolarHBondContact O-N 2.88Å; L162-L166 HydrophobicContact CB-CB 4.41Å; L162-L166 HydrophobicContact CB-CD1 4.41Å; L162-L166 HydrophobicContact CD2-CB 3.8Å; L162-L166 HydrophobicContact CD2-CD1 3.63Å; L162-L166 HydrophobicContact CD2-CG 4.32Å; L162-L166 HydrophobicContact CG-CD1 4.23Å
163	P	29.2	Very low	32.3	Very low	63 Å²	63	116.9 Å²	116.9	41%	0.409	57%	0.571	S	S	.	*			trans	-56.9	141.2	179.5	26.2	-36.3	0	0	0	108.6	H161 H165 L166	H161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-H165 VanDerWaalsContact CB-CD2 3.47Å; P163-H165 WeakPolarHBondContact CB-CD2 3.49Å; P163-H165 PolarHBondContact O-N 3.14Å; P163-L166 HydrophobicContact CG-CD1 4.2Å; P163-L166 PolarHBondContact O-N 3.49Å
164	H	32.3	Very low	32.6	Very low	149 Å²	149	118.7 Å²	118.7	69%	0.69	58%	0.584	S	S	*	*	H	α-helix	trans	-46.7	-23.3	-173.1	-79.4	-90.5	0	0	0	114.4	L162 L166 R167 L168	L162-H164 PolarHBondContact O-N 2.88Å; H164-L166 VanDerWaalsContact C-N 3.33Å; H164-L166 PolarHBondContact O-N 3.17Å; H164-R167 PolarHBondContact O-N 3.34Å; H164-L168 PolarHBondContact O-N 3.15Å
165	H	34.7	Very low	32.7	Very low	84 Å²	84	119.3 Å²	119.3	39%	0.389	58%	0.58	S	S	.	*	H	α-helix	trans	-56	-40	172.4	-32.2	-48.5	0	0	0	112.7	P163 R167 L168 Y169 Y379	P163-H165 VanDerWaalsContact CB-CD2 3.47Å; P163-H165 WeakPolarHBondContact CB-CD2 3.49Å; P163-H165 PolarHBondContact O-N 3.14Å; H165-R167 PolarHBondContact O-N 3.19Å; H165-L168 PolarHBondContact O-N 2.87Å; H165-Y169 WeakPolarHBondContact O-CD2 3.18Å; H165-Y169 PolarHBondContact O-N 3.01Å; H165-Y169 VanDerWaalsContact O-N 3.09Å; H165-Y379 AromaticContact CE1-CE1 3.83Å; H165-Y379 AromaticContact ND1-CE1 3.87Å; H165-Y379 AromaticContact NE2-CE1 3.95Å
166	L	33.2	Very low	33	Very low	83 Å²	83	122.6 Å²	122.6	44%	0.435	60%	0.599	S	S	.	*	H	α-helix	trans	-75	-23	-178.3	-70.1	170.1	0	0	0	113.6	L162 P163 H164 Y169 R170	L162-L166 HydrophobicContact CB-CB 4.41Å; L162-L166 HydrophobicContact CB-CD1 4.41Å; L162-L166 HydrophobicContact CD2-CB 3.8Å; L162-L166 HydrophobicContact CD2-CD1 3.63Å; L162-L166 HydrophobicContact CD2-CG 4.32Å; L162-L166 HydrophobicContact CG-CD1 4.23Å; P163-L166 HydrophobicContact CG-CD1 4.2Å; P163-L166 PolarHBondContact O-N 3.49Å; H164-L166 VanDerWaalsContact C-N 3.33Å; H164-L166 PolarHBondContact O-N 3.17Å; L166-Y169 HydrophobicContact CD2-CD2 4.35Å; L166-Y169 PolarHBondContact O-N 3.35Å; L166-R170 PolarHBondContact O-N 2.83Å
167	R	33.7	Very low	33	Very low	183 Å²	183	124.5 Å²	124.5	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-71.9	-33.3	172.3	-114.4	178.3	-179.5	157.8	0.4	112	H164 H165 R171	H164-R167 PolarHBondContact O-N 3.34Å; H165-R167 PolarHBondContact O-N 3.19Å; R167-R171 PolarHBondContact O-N 3.2Å
168	L	35.2	Very low	32.9	Very low	109 Å²	109	124.2 Å²	124.2	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-71	-39.9	171	-78.6	159.9	0	0	0	111.1	H164 H165 R170 R171 L172	H164-L168 PolarHBondContact O-N 3.15Å; H165-L168 PolarHBondContact O-N 2.87Å; L168-R170 PolarHBondContact O-N 3.4Å; L168-R171 PolarHBondContact O-N 2.69Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 WeakPolarHBondContact O-CG 3.2Å; L168-L172 PolarHBondContact O-N 3.44Å
169	Y	34	Very low	33.1	Very low	122 Å²	122	122.6 Å²	122.6	48%	0.478	60%	0.603	S	S	.	*	H	α-helix	trans	-59.3	-43.2	172.8	-83.2	-73.3	0	0	0	112.1	H165 L166 R171 L172 Y173	H165-Y169 WeakPolarHBondContact O-CD2 3.18Å; H165-Y169 PolarHBondContact O-N 3.01Å; H165-Y169 VanDerWaalsContact O-N 3.09Å; L166-Y169 HydrophobicContact CD2-CD2 4.35Å; L166-Y169 PolarHBondContact O-N 3.35Å; Y169-R171 VanDerWaalsContact C-N 3.3Å; Y169-R171 PolarHBondContact O-N 3.04Å; Y169-L172 PolarHBondContact O-N 3.37Å; Y169-L172 VanDerWaalsContact O-N 3.16Å; Y169-Y173 HydrophobicContact CD1-CD2 4.34Å; Y169-Y173 AromaticContact CD1-CE2 3.69Å; Y169-Y173 HydrophobicContact CD1-CE2 3.69Å; Y169-Y173 HydrophobicContact CG-CE2 4.36Å; Y169-Y173 WeakPolarHBondContact O-CB 3.16Å; Y169-Y173 WeakPolarHBondContact O-CD2 3.16Å; Y169-Y173 PolarHBondContact O-N 3.39Å
170	R	34.4	Very low	33.3	Very low	203 Å²	203	124.2 Å²	124.2	77%	0.766	60%	0.603	S	S	*	*	H	α-helix	trans	-64.6	-31	179.1	-148.7	175.4	-173.6	-179.5	1.5	113.6	L166 L168 S174	L166-R170 PolarHBondContact O-N 2.83Å; L168-R170 PolarHBondContact O-N 3.4Å; R170-S174 WeakPolarHBondContact O-CB 3.36Å; R170-S174 PolarHBondContact O-N 3.42Å; R170-S174 PolarHBondContact O-OG 2.92Å
171	R	33.8	Very low	33.4	Very low	197 Å²	197	119.9 Å²	119.9	74%	0.743	59%	0.59	S	S	*	*	H	α-helix	trans	-76.7	-35.2	172.6	-77.5	-176.8	174.3	176.1	-1.8	112.7	R167 L168 Y169 L175	R167-R171 PolarHBondContact O-N 3.2Å; L168-R171 PolarHBondContact O-N 2.69Å; Y169-R171 VanDerWaalsContact C-N 3.3Å; Y169-R171 PolarHBondContact O-N 3.04Å; R171-L175 PolarHBondContact O-N 3.07Å
172	L	36.8	Very low	33.1	Very low	95 Å²	95	115.3 Å²	115.3	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-70.4	-41.8	175.2	-78.7	160.4	0	0	0	112.1	L168 Y169 S174 L175 V176	L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 WeakPolarHBondContact O-CG 3.2Å; L168-L172 PolarHBondContact O-N 3.44Å; Y169-L172 PolarHBondContact O-N 3.37Å; Y169-L172 VanDerWaalsContact O-N 3.16Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 2.85Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 2.92Å; L172-L175 VanDerWaalsContact O-N 3.09Å; L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 3.49Å; L172-V176 VanDerWaalsContact O-N 3.07Å
173	Y	36.3	Very low	33	Very low	104 Å²	104	117.5 Å²	117.5	41%	0.408	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-33	175.1	-79.2	-71.7	0	0	0	112.4	Y169 L175 V176 D177 V615	Y169-Y173 HydrophobicContact CD1-CD2 4.34Å; Y169-Y173 AromaticContact CD1-CE2 3.69Å; Y169-Y173 HydrophobicContact CD1-CE2 3.69Å; Y169-Y173 HydrophobicContact CG-CE2 4.36Å; Y169-Y173 WeakPolarHBondContact O-CB 3.16Å; Y169-Y173 WeakPolarHBondContact O-CD2 3.16Å; Y169-Y173 PolarHBondContact O-N 3.39Å; Y173-L175 PolarHBondContact O-N 2.74Å; Y173-V176 PolarHBondContact O-N 2.87Å; Y173-D177 PolarHBondContact O-N 2.89Å; Y173-V615 WeakPolarHBondContact OH-CG1 3.16Å
174	S	35.6	Very low	32.8	Very low	81 Å²	81	124.8 Å²	124.8	57%	0.566	61%	0.613	S	S	*	*	H	α-helix	trans	-71.1	-16.8	173	-55.9	0	0	0	0	113.7	R170 L172	R170-S174 WeakPolarHBondContact O-CB 3.36Å; R170-S174 PolarHBondContact O-N 3.42Å; R170-S174 PolarHBondContact O-OG 2.92Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 2.85Å
175	L	34.7	Very low	32.5	Very low	107 Å²	107	127 Å²	127	56%	0.56	62%	0.617	S	S	*	*	H	α-helix	trans	-90.8	-28.3	175.2	-100.8	148.6	0	0	0	112.3	R171 L172 Y173 V181	R171-L175 PolarHBondContact O-N 3.07Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 2.92Å; L172-L175 VanDerWaalsContact O-N 3.09Å; Y173-L175 PolarHBondContact O-N 2.74Å; L175-V181 WeakPolarHBondContact O-CG2 3.21Å
176	V	37.1	Very low	32.1	Very low	101 Å²	101	128.5 Å²	128.5	61%	0.612	63%	0.634	S	S	*	*	H	α-helix	trans	-77.1	-29.1	177.2	176.2	0	0	0	0	111.7	L172 Y173 H178	L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 3.49Å; L172-V176 VanDerWaalsContact O-N 3.07Å; Y173-V176 PolarHBondContact O-N 2.87Å; V176-H178 VanDerWaalsContact C-N 3.32Å
177	D	34.6	Very low	31.7	Very low	136 Å²	136	129.4 Å²	129.4	73%	0.727	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	9.1	174	-70.7	-31.9	0	0	0	113.7	Y173 P179	Y173-D177 PolarHBondContact O-N 2.89Å; D177-P179 WeakPolarHBondContact O-CD 3.29Å
178	H	30.9	Very low	31.3	Very low	103 Å²	103	130.5 Å²	130.5	48%	0.477	66%	0.656	S	S	.	*			trans	-78.5	123.8	176.2	-149.7	-70.8	0	0	0	109.6	V176 C180 V181	V176-H178 VanDerWaalsContact C-N 3.32Å; H178-C180 PolarHBondContact ND1-SG 3.38Å; H178-C180 PolarHBondContact O-N 3.05Å; H178-V181 PolarHBondContact O-N 2.83Å
179	P	33.4	Very low	31	Very low	114 Å²	114	133.4 Å²	133.4	74%	0.74	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	7.7	-176.3	25	-34.5	0	0	0	115	D177	D177-P179 WeakPolarHBondContact O-CD 3.29Å
180	C	30.4	Very low	30.7	Very low	102 Å²	102	136.5 Å²	136.5	69%	0.689	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-6	179.2	-49.9	0	0	0	0	112.9	H178 S182	H178-C180 PolarHBondContact ND1-SG 3.38Å; H178-C180 PolarHBondContact O-N 3.05Å; C180-S182 PolarHBondContact O-N 3.03Å
181	V	29.1	Very low	30.2	Very low	84 Å²	84	130.9 Å²	130.9	51%	0.509	68%	0.681	S	S	.	*			trans	-94.2	78.1	174.1	-173.8	0	0	0	0	108.4	L175 H178 L183	L175-V181 WeakPolarHBondContact O-CG2 3.21Å; H178-V181 PolarHBondContact O-N 2.83Å; V181-L183 PolarHBondContact O-N 3.49Å
182	S	25.6	Very low	29.8	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	69%	0.69	S	S	*	*			trans	-64	103.1	172.6	-177.3	0	0	0	0	109.2	C180 Y184	C180-S182 PolarHBondContact O-N 3.03Å; S182-Y184 PolarHBondContact O-N 3.27Å
183	L	28	Very low	29.3	Very low	146 Å²	146	133.8 Å²	133.8	76%	0.764	70%	0.695	S	S	*	*			trans	-59.4	100	165.2	-77.8	164.9	0	0	0	108.2	V181 Y185	V181-L183 PolarHBondContact O-N 3.49Å; L183-Y185 PolarHBondContact O-N 3.02Å
184	Y	25.7	Very low	28.9	Very low	216 Å²	216	136.1 Å²	136.1	85%	0.847	71%	0.709	S	S	*	*			trans	-58.9	99.8	170.7	-123.8	-95.7	0	0	0	108.3	S182 P186	S182-Y184 PolarHBondContact O-N 3.27Å; Y184-P186 WeakPolarHBondContact O-CD 3.36Å
185	Y	25.3	Very low	28.5	Very low	196 Å²	196	137.6 Å²	137.6	77%	0.769	72%	0.715	S	S	*	*			trans	-70.5	122.1	164.5	-102.3	-93.2	0	0	0	108.1	L183 C187	L183-Y185 PolarHBondContact O-N 3.02Å; Y185-C187 VanDerWaalsContact C-N 3.32Å; Y185-C187 PolarHBondContact O-N 3.42Å
186	P	25.7	Very low	28.2	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	72%	0.723	S	S	*	*			trans	-75.6	92.4	164	29.9	-27.3	0	0	0	107.5	Y184 K188	Y184-P186 WeakPolarHBondContact O-CD 3.36Å; P186-K188 PolarHBondContact O-N 3.38Å
187	C	25.8	Very low	27.7	Very low	103 Å²	103	139.7 Å²	139.7	70%	0.696	73%	0.732	S	S	*	*			trans	-61.8	105.2	160.6	-85.1	0	0	0	0	107.8	Y185 H189	Y185-C187 VanDerWaalsContact C-N 3.32Å; Y185-C187 PolarHBondContact O-N 3.42Å; C187-H189 PolarHBondContact O-N 3.03Å
188	K	25.2	Very low	27.3	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	73%	0.732	S	S	*	*			trans	-64	83.9	158.8	-76.2	-176.7	175.5	-178.1	0	108.1	P186	P186-K188 PolarHBondContact O-N 3.38Å
189	H	28.4	Very low	27.2	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.787	75%	0.75	S	S	*	*			trans	-93.4	116	153.8	-95.1	-72	0	0	0	107.6	C187 A191	C187-H189 PolarHBondContact O-N 3.03Å; H189-A191 PolarHBondContact O-N 3.13Å; H189-A191 VanDerWaalsContact O-N 3.15Å
190	H	27.7	Very low	26.8	Very low	188 Å²	188	137.7 Å²	137.7	87%	0.87	75%	0.753	S	S	*	*			trans	-48.4	117.2	168.7	-92	-64	0	0	0	109.8	Y192	H190-Y192 PolarHBondContact O-N 3.36Å
191	A	23.3	Very low	26.6	Very low	85 Å²	85	138.8 Å²	138.8	70%	0.702	76%	0.76	S	S	*	*			trans	-64.7	109	161.2	0	0	0	0	0	108	H189 I193	H189-A191 PolarHBondContact O-N 3.13Å; H189-A191 VanDerWaalsContact O-N 3.15Å; A191-I193 HydrophobicContact CB-CG1 4.48Å
192	Y	26.6	Very low	26.5	Very low	234 Å²	234	139.8 Å²	139.8	92%	0.918	77%	0.771	S	S	*	*			trans	-90.8	106.7	157.9	-138	-92.1	0	0	0	106.2	H190	H190-Y192 PolarHBondContact O-N 3.36Å
193	I	25.5	Very low	26.5	Very low	118 Å²	118	142 Å²	142	61%	0.605	78%	0.78	S	S	*	*			trans	-85	153.7	174.3	-61.2	174.7	0	0	0	107.5	A191	A191-I193 HydrophobicContact CB-CG1 4.48Å
194	H	28	Very low	26.3	Very low	154 Å²	154	138.8 Å²	138.8	71%	0.713	78%	0.783	S	S	*	*			trans	108.7	94.5	167.4	-61.7	-72.4	0	0	0	112.8
195	T	27.2	Very low	26.3	Very low	111 Å²	111	133.4 Å²	133.4	68%	0.681	78%	0.783	S	S	*	*				103.7	132.2	85.3	47.4	0	0	0	0	107.1
196	T	28.7	Very low	26.4	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	78%	0.782	S	S	*	*			cis	-176.9	140.6	9.2	13.3	0	0	0	0	105.6
197	V	25.8	Very low	26.5	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	78%	0.782	S	S	*	*			trans	83	144.5	137.7	179.9	0	0	0	0	116.5
198	P	27.1	Very low	26.7	Very low	110 Å²	110	128.2 Å²	128.2	71%	0.714	78%	0.779	S	S	*	*				-128.7	175.9	-103	23	4.9	0	0	0	112.2
199	S	28.6	Very low	26.9	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	77%	0.772	S	S	*	*			trans	151	148.9	147.1	56.2	0	0	0	0	111.1
200	G	25.7	Very low	26.9	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	77%	0.766	S	S	*	*			trans	102.6	110.2	152.3	0	0	0	0	0	115.2
201	C	24.8	Very low	26.9	Very low	124 Å²	124	126.8 Å²	126.8	84%	0.838	76%	0.759	S	S	*	*			trans	-73.1	164.2	-176.2	-53.6	0	0	0	0	114.4
202	S	27.8	Very low	27.2	Very low	106 Å²	106	127.2 Å²	127.2	74%	0.741	76%	0.757	S	S	*	*			trans	88.2	96.3	144.3	-51.8	0	0	0	0	119.2
203	T	25.6	Very low	27.3	Very low	147 Å²	147	124.3 Å²	124.3	90%	0.902	76%	0.756	S	S	*	*			trans	18.2	116.2	131.8	43.8	0	0	0	0	118.6
204	G	24.9	Very low	27.4	Very low	79 Å²	79	123.5 Å²	123.5	81%	0.814	76%	0.761	S	S	*	*			trans	-165	126.9	164.1	0	0	0	0	0	110.5
205	A	25	Very low	27.5	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	76%	0.764	S	S	*	*			trans	-72.3	151.3	-165.6	0	0	0	0	0	115.6
206	A	27.9	Very low	27.5	Very low	89 Å²	89	127.1 Å²	127.1	74%	0.736	77%	0.773	S	S	*	*			trans	-166.1	89.8	146.8	0	0	0	0	0	107.7
207	T	28	Very low	27.6	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	78%	0.775	S	S	*	*				83.5	120	88.4	53.7	0	0	0	0	115.2
208	S	28.8	Very low	27.8	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	78%	0.776	S	S	*	*			trans	68.1	129.5	146.5	67.6	0	0	0	0	117.1
209	F	29.1	Very low	27.8	Very low	167 Å²	167	139.2 Å²	139.2	73%	0.732	79%	0.785	S	S	*	*				-151.3	128.3	51.6	-92.5	-100.5	0	0	0	109.7
210	R	29.4	Very low	27.7	Very low	178 Å²	178	139.2 Å²	139.2	67%	0.672	78%	0.78	S	S	*	*				61.4	130.9	108	-68.2	-166.7	177.8	-168.3	-0.4	113.8
211	R	28	Very low	27.7	Very low	188 Å²	188	142.5 Å²	142.5	71%	0.709	78%	0.778	S	S	*	*			cis	-174.9	146.9	20.2	-118.1	168.6	-176.2	-172.6	-4.9	110.6
212	S	29.8	Very low	27.7	Very low	95 Å²	95	142 Å²	142	66%	0.664	77%	0.771	S	S	*	*			trans	75.3	105.4	141.6	-46.1	0	0	0	0	119.3
213	L	27.3	Very low	27.6	Very low	172 Å²	172	143.1 Å²	143.1	90%	0.901	78%	0.776	S	S	*	*				67.3	135.4	67.6	-60.5	171.8	0	0	0	112.1
214	S	28.9	Very low	27.7	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	77%	0.766	S	S	*	*			cis	-170.4	137	36.3	178.7	0	0	0	0	109.6
215	S	29.1	Very low	27.7	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	76%	0.762	S	S	*	*			trans	-114.5	119.4	157.5	173.7	0	0	0	0	107.5
216	R	28.2	Very low	27.8	Very low	230 Å²	230	142.4 Å²	142.4	87%	0.868	76%	0.758	S	S	*	*			trans	-76.3	120.5	176.3	-76.7	179	168.4	-173.7	-2.8	109.4
217	H	29.5	Very low	27.8	Very low	167 Å²	167	144.8 Å²	144.8	77%	0.773	75%	0.753	S	S	*	*			trans	-142.5	133.1	146.9	-118.5	-42.6	0	0	0	110.1
218	R	30.1	Very low	27.8	Very low	220 Å²	220	149.4 Å²	149.4	83%	0.83	76%	0.757	S	S	*	*			trans	83.2	92.1	159.6	-57.7	-176.5	-178.7	-162.8	-1.2	116.9
219	Y	28.1	Very low	27.6	Very low	229 Å²	229	154.9 Å²	154.9	90%	0.898	77%	0.769	S	S	*	*				9.9	118.7	124.2	-78.5	-81.2	0	0	0	117.6
220	T	26.5	Very low	27.4	Very low	124 Å²	124	152 Å²	152	76%	0.761	77%	0.77	S	S	*	*			trans	85	79.3	136.3	-29.2	0	0	0	0	118.7
221	I	25.1	Very low	27.4	Very low	146 Å²	146	151.7 Å²	151.7	75%	0.749	78%	0.78	S	S	*	*			trans	-27.1	134.2	138.4	-61.7	164.3	0	0	0	111.1
222	T	23.9	Very low	27.6	Very low	114 Å²	114	149.6 Å²	149.6	70%	0.699	78%	0.783	S	S	*	*				-172.3	145.4	71.9	-22.6	0	0	0	0	109.5
223	P	27.4	Very low	27.4	Very low	130 Å²	130	149.9 Å²	149.9	84%	0.844	79%	0.785	S	S	*	*			trans	-116.5	128.9	132.9	5.7	13.3	0	0	0	109.5
224	A	27.3	Very low	27.5	Very low	84 Å²	84	153 Å²	153	69%	0.694	78%	0.784	S	S	*	*			trans	-59.9	142.7	173.9	0	0	0	0	0	111.7
225	S	24	Very low	27.5	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	79%	0.789	S	S	*	*			trans	3	139.7	148.9	57.6	0	0	0	0	118.5
226	V	26.7	Very low	27.6	Very low	126 Å²	126	154.1 Å²	154.1	76%	0.764	79%	0.794	S	S	*	*				-177	120.2	121.4	145.4	0	0	0	0	110.9
227	H	28.5	Very low	27.5	Very low	139 Å²	139	148.4 Å²	148.4	64%	0.644	79%	0.789	S	S	*	*			trans	83	104.4	144	-81.8	-110.6	0	0	0	123.9
228	R	27.8	Very low	27.5	Very low	218 Å²	218	147 Å²	147	82%	0.823	80%	0.797	S	S	*	*				66.1	105	118.1	-72.7	-167.9	175.3	167.5	-3	119.7
229	F	24.4	Very low	27.4	Very low	207 Å²	207	142.1 Å²	142.1	91%	0.908	80%	0.796	S	S	*	*			trans	-69.4	137.3	146.9	-80.5	-93.4	0	0	0	111.4
230	S	25.9	Very low	27.7	Very low	107 Å²	107	141 Å²	141	75%	0.748	80%	0.795	S	S	*	*			trans	-155.1	109.7	152.4	-101.2	0	0	0	0	107.2
231	I	29.7	Very low	28.1	Very low	172 Å²	172	139.6 Å²	139.6	88%	0.882	79%	0.791	S	S	*	*			trans	-129	108.8	155.1	-63.5	-178.5	0	0	0	105.8
232	D	31	Very low	28.4	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	80%	0.797	S	S	*	*			trans	-66.8	143.7	177.6	-87.3	-46.3	0	0	0	112.4
233	S	26	Very low	28.9	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	80%	0.802	S	S	*	*			trans	-52.2	142	160.9	46	0	0	0	0	114.6
234	R	30	Very low	29.1	Very low	237 Å²	237	142 Å²	142	89%	0.894	80%	0.798	S	S	*	*			trans	-169.9	98	147.3	-99.8	162.5	-165.6	-149.8	4.8	108.2
235	T	28	Very low	29.4	Very low	133 Å²	133	146.9 Å²	146.9	82%	0.816	81%	0.806	S	S	*	*				51.1	106.6	99.5	59	0	0	0	0	115.1
236	A	30.6	Very low	29.7	Very low	105 Å²	105	148 Å²	148	87%	0.868	81%	0.813	S	S	*	*			trans	-160.1	100.9	143.4	0	0	0	0	0	109.5
237	S	27.3	Very low	30.1	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	81%	0.814	S	S	*	*			trans	-63.8	144.8	163.2	47.4	0	0	0	0	111.9
238	C	29.5	Very low	30.5	Very low	139 Å²	139	147.9 Å²	147.9	94%	0.939	82%	0.821	S	S	*	*			trans	-158	100.1	148.3	-96.3	0	0	0	0	109.5
239	S	28.3	Very low	30.8	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	81%	0.812	S	S	*	*			trans	-91.8	134.9	163.1	20.9	0	0	0	0	109.6
240	K	34.4	Very low	31.2	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	81%	0.807	S	S	*	*			trans	-165.3	139.5	162.2	-91.3	-176.3	-179.2	-179.8	0	105.5
241	S	34.1	Very low	31.7	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	80%	0.801	S	S	*	*			cis	-170.3	139.9	-8.9	33.8	0	0	0	0	104.2
242	L	30.8	Very low	32	Very low	168 Å²	168	135.7 Å²	135.7	88%	0.88	79%	0.793	S	S	*	*			trans	-69.4	132.3	161.2	-94.6	143.9	0	0	0	107.7
243	D	35.4	Very low	32.3	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	79%	0.792	S	S	*	*			trans	-141.1	127.2	154.7	-82.9	-43.9	0	0	0	109.1
244	T	30.6	Very low	32.5	Very low	121 Å²	121	136.5 Å²	136.5	74%	0.742	80%	0.796	S	S	*	*			trans	-76.4	146.5	174.9	36.9	0	0	0	0	112.3
245	E	34.5	Very low	32.9	Very low	187 Å²	187	131.2 Å²	131.2	87%	0.874	79%	0.793	S	S	*	*			trans	168	106.9	143.2	-96.3	169.1	176.5	0	0	106.6
246	C	30.3	Very low	33.1	Very low	129 Å²	129	128 Å²	128	87%	0.872	79%	0.786	S	S	*	*				40.6	86.5	82.6	-74	0	0	0	0	114.3
247	D	35.3	Very low	33.1	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	78%	0.778	S	S	*	*			trans	-159.5	108	140	-122.2	-5.8	0	0	0	107.3
248	S	36.6	Very low	33.2	Very low	112 Å²	112	128.7 Å²	128.7	78%	0.783	77%	0.774	S	S	*	*				80.2	124.7	87.8	-64.5	0	0	0	0	112.8
249	G	33.4	Very low	33.2	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	77%	0.77	S	S	*	*			trans	122.1	72	166.1	0	0	0	0	0	112.8
250	L	34.7	Very low	33	Very low	152 Å²	152	132.5 Å²	132.5	80%	0.796	77%	0.77	S	S	*	*				99.1	120.9	85.6	-111.5	99.1	0	0	0	110.9
251	T	36.1	Very low	32.9	Very low	101 Å²	101	128.6 Å²	128.6	62%	0.62	77%	0.768	S	S	*	*			trans	67.4	133.5	136.1	58.9	0	0	0	0	117.4
252	D	34.7	Very low	32.5	Very low	133 Å²	133	131.2 Å²	131.2	71%	0.711	77%	0.773	S	S	*	*			cis	-174.5	157.2	14.4	-119	-25.8	0	0	0	109.1
253	I	37	Very low	32.4	Very low	148 Å²	148	130.7 Å²	130.7	76%	0.759	77%	0.766	S	S	*	*			trans	74.8	93.1	160.1	-53.6	148.5	0	0	0	115
254	S	30.1	Very low	32.2	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	77%	0.765	S	S	*	*				89.2	145.5	63	-82.8	0	0	0	0	115.4
255	P	39.5	Very low	32.2	Very low	126 Å²	126	134.2 Å²	134.2	82%	0.818	77%	0.769	S	S	*	*			trans	-116.6	172.5	-142.2	38.8	-24	0	0	0	112
256	G	31.6	Very low	31.9	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	77%	0.767	S	S	*	*			trans	-175.4	113	169.2	0	0	0	0	0	109.8
257	S	31.4	Very low	31.8	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	76%	0.764	S	S	*	*				76.7	92	92	166	0	0	0	0	109.4
258	N	29.3	Very low	31.4	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	77%	0.77	S	S	*	*				93.3	126	92.5	-77.1	-33.6	0	0	0	111.7
259	Y	29.4	Very low	31	Very low	216 Å²	216	131.6 Å²	131.6	85%	0.847	77%	0.772	S	S	*	*			trans	73.4	129.8	137.5	-83	-103.4	0	0	0	120.2
260	C	23.6	Very low	30.6	Very low	119 Å²	119	133.8 Å²	133.8	80%	0.804	78%	0.778	S	S	*	*			trans	-34.5	134.7	158.4	-63.6	0	0	0	0	113.5
261	S	32.3	Very low	30.2	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	78%	0.782	S	S	*	*			trans	-160.5	128	138.8	-84.7	0	0	0	0	111
262	I	25.3	Very low	30	Very low	151 Å²	151	136 Å²	136	77%	0.774	80%	0.795	S	S	*	*			trans	-44	130.1	164	-64.3	149.9	0	0	0	110
263	H	28.7	Very low	30.2	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.727	80%	0.797	S	S	*	*			trans	171.3	148.5	132.5	-102.6	-75.1	0	0	0	112.1
264	Q	32.8	Very low	29.8	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	80%	0.802	S	S	*	*			trans	83.2	86.9	160.6	-65.7	165.6	13.8	0	0	115.8
265	H	28.7	Very low	29.7	Very low	177 Å²	177	139.7 Å²	139.7	82%	0.819	81%	0.805	S	S	*	*				58.5	125.7	78.4	-78.5	-88.3	0	0	0	115.2
266	T	28.8	Very low	29.2	Very low	137 Å²	137	138.1 Å²	138.1	84%	0.84	80%	0.803	S	S	*	*			trans	93.1	80.2	148.4	-16.4	0	0	0	0	118.1
267	A	28.1	Very low	29.1	Very low	98 Å²	98	139 Å²	139	81%	0.81	80%	0.803	S	S	*	*	S	Bend		171.7	133.7	127.7	0	0	0	0	0	110.2
268	A	27.2	Very low	28.9	Very low	111 Å²	111	143.5 Å²	143.5	92%	0.917	81%	0.81	S	S	*	*			trans	75.6	47.2	178.5	0	0	0	0	0	117.6
269	Q	28.7	Very low	28.8	Very low	177 Å²	177	147.6 Å²	147.6	83%	0.827	82%	0.818	S	S	*	*			trans	-99.6	103.7	153.7	-102	-173.5	-15.1	0	0	109.6
270	S	25.2	Very low	28.8	Very low	108 Å²	108	149 Å²	149	76%	0.755	82%	0.822	S	S	*	*			trans	-180	99.2	140.6	59.6	0	0	0	0	108.6
271	C	25.8	Very low	28.9	Very low	133 Å²	133	148.7 Å²	148.7	90%	0.899	82%	0.82	S	S	*	*	S	Bend	trans	177.4	-10.4	150.6	-102.5	0	0	0	0	114.9
272	L	31.7	Very low	28.7	Very low	167 Å²	167	151.5 Å²	151.5	87%	0.874	82%	0.82	S	S	*	*	S	Bend	trans	-126	16.1	-170.6	-89.6	156.3	0	0	0	115.8
273	Q	38.9	Very low	28.8	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	82%	0.823	S	S	*	*	S	Bend	trans	-141.2	14.1	-179.3	-125	171.5	3.3	0	0	116.4
274	Q	28.3	Very low	28.7	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	83%	0.825	S	S	*	*	S	Bend	trans	-91.1	-0.4	171	-82.1	-174.7	1.8	0	0	114.3	A276	Q274-A276 VanDerWaalsContact C-N 3.32Å; Q274-A276 PolarHBondContact O-N 3.41Å
275	S	29.1	Very low	28.5	Very low	120 Å²	120	150 Å²	150	84%	0.839	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	4.1	-174.5	40.2	0	0	0	0	115.6
276	A	28.6	Very low	28.4	Very low	94 Å²	94	149.9 Å²	149.9	78%	0.777	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	9.4	-176	0	0	0	0	0	115.6	Q274	Q274-A276 VanDerWaalsContact C-N 3.32Å; Q274-A276 PolarHBondContact O-N 3.41Å
277	A	28.3	Very low	28.3	Very low	84 Å²	84	153 Å²	153	69%	0.694	83%	0.825	S	S	*	*			trans	-136.1	19.7	-171.2	0	0	0	0	0	116.5
278	K	28.5	Very low	28.5	Very low	193 Å²	193	155.6 Å²	155.6	84%	0.839	83%	0.825	S	S	*	*			trans	-94.4	20.4	173.3	-123.5	-180	-175.2	-176.6	0	114.4
279	Y	27.5	Very low	28.7	Very low	216 Å²	216	159.2 Å²	159.2	85%	0.847	83%	0.826	S	S	*	*			trans	-73	124.7	162.7	-91.9	-88.5	0	0	0	108.7
280	R	28.4	Very low	28.8	Very low	246 Å²	246	153.1 Å²	153.1	93%	0.928	81%	0.811	S	S	*	*	S	Bend	trans	83.9	69.7	-179.6	-58	-178.9	171.2	151	-2.2	116.3
281	S	26.4	Very low	29.1	Very low	111 Å²	111	154.3 Å²	154.3	78%	0.776	81%	0.814	S	S	*	*				167	93.1	124.5	64.5	0	0	0	0	110
282	Q	27.6	Very low	29.5	Very low	183 Å²	183	156.3 Å²	156.3	86%	0.855	81%	0.81	S	S	*	*			trans	-155.6	99.5	149.8	-114.2	171.1	16.5	0	0	107
283	L	27.8	Very low	29.7	Very low	157 Å²	157	159.2 Å²	159.2	82%	0.822	81%	0.809	S	S	*	*			trans	-58.1	133	167.7	-102.9	89.4	0	0	0	109.2
284	T	26.1	Very low	29.4	Very low	128 Å²	128	153.9 Å²	153.9	79%	0.785	79%	0.79	S	S	*	*			trans	37.6	92.3	147.3	44.4	0	0	0	0	117.5
285	E	29	Very low	29.9	Very low	160 Å²	160	155.4 Å²	155.4	75%	0.748	79%	0.787	S	S	*	*			trans	-148.9	118.8	149.9	-130.1	177.4	-164.5	0	0	108.9	R287	E285-R287 PolarHBondContact O-N 3.18Å
286	N	25.6	Very low	30.6	Very low	175 Å²	175	161 Å²	161	94%	0.936	79%	0.79	S	S	*	*			trans	-51.9	105.4	174.8	-76.5	-46.5	0	0	0	110.2
287	R	28.5	Very low	31.2	Very low	203 Å²	203	164.3 Å²	164.3	77%	0.766	80%	0.795	S	S	*	*			trans	-136.7	106.5	178.5	-103.7	-173.7	164.4	157.4	-1.6	112.3	E285	E285-R287 PolarHBondContact O-N 3.18Å
288	L	30.7	Very low	31.9	Very low	152 Å²	152	162.1 Å²	162.1	80%	0.796	78%	0.775	S	S	*	*			trans	55.7	106.8	147.9	-73.9	92.5	0	0	0	117.9	G290	L288-G290 PolarHBondContact O-N 2.93Å
289	I	31.8	Very low	32.3	Very low	186 Å²	186	157.5 Å²	157.5	95%	0.954	76%	0.759	S	S	*	*			trans	-66.7	78.8	158.9	-58.6	171	0	0	0	107.8
290	G	30.6	Very low	33.3	Very low	49 Å²	49	152 Å²	152	51%	0.505	75%	0.75	S	S	.	*			trans	-98.8	100.5	175.4	0	0	0	0	0	110.3	L288 Q292	L288-G290 PolarHBondContact O-N 2.93Å; G290-Q292 PolarHBondContact O-N 3.27Å
291	T	31.2	Very low	34.5	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	74%	0.735	S	S	*	*			trans	36.1	53.5	141.6	54.1	0	0	0	0	118.6	R293	T291-R293 VanDerWaalsContact C-N 3.32Å; T291-R293 PolarHBondContact O-N 3.46Å; T291-R293 VanDerWaalsContact O-N 3.13Å
292	Q	35	Very low	35.5	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	71%	0.711	S	S	*	*			trans	-78.1	88.3	152.5	-86.6	-172.2	0.1	0	0	108.8	G290 C294	G290-Q292 PolarHBondContact O-N 3.27Å; Q292-C294 PolarHBondContact O-N 3.49Å
293	R	35.5	Very low	36.5	Very low	227 Å²	227	140.1 Å²	140.1	86%	0.857	69%	0.692	S	S	*	*			trans	-68.9	112.2	167.2	-76	-175	176.7	-160.6	-2.2	108.6	T291 R295	T291-R293 VanDerWaalsContact C-N 3.32Å; T291-R293 PolarHBondContact O-N 3.46Å; T291-R293 VanDerWaalsContact O-N 3.13Å; R293-R295 PolarHBondContact O-N 3.02Å
294	C	33.5	Very low	37.5	Very low	52 Å²	52	138.9 Å²	138.9	35%	0.351	68%	0.682	S	S	.	*			trans	-53	123.8	168.6	-64.3	0	0	0	0	109.5	Q292 W303	Q292-C294 PolarHBondContact O-N 3.49Å; C294-W303 HydrophobicContact CB-CZ2 4.46Å
295	R	37.8	Very low	38.6	Very low	218 Å²	218	138.7 Å²	138.7	82%	0.823	67%	0.672	S	S	*	*			trans	-65.6	149.9	174	-78.3	-177.1	173.5	163	-0.9	108.9	R293 N297 S298	R293-R295 PolarHBondContact O-N 3.02Å; R295-N297 PolarHBondContact O-N 3.47Å; R295-S298 PolarHBondContact N-OG 3.34Å; R295-S298 WeakPolarHBondContact O-CB 3.4Å; R295-S298 PolarHBondContact O-N 3.04Å; R295-S298 PolarHBondContact O-OG 2.73Å
296	R	43.5	Very low	39.7	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-10.1	-177.2	-103.1	-179.2	171.4	-172.8	-3.7	116.4
297	N	41.5	Very low	40.6	Very low	163 Å²	163	134.3 Å²	134.3	87%	0.872	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	20.8	179.8	-57.7	-2.1	0	0	0	112.3	R295	R295-N297 PolarHBondContact O-N 3.47Å
298	S	43.7	Very low	41.6	Very low	39 Å²	39	130.1 Å²	130.1	27%	0.273	63%	0.631	S	S	.	*			trans	-77.8	137.5	176.9	-46.1	0	0	0	0	109.6	R295	R295-S298 PolarHBondContact N-OG 3.34Å; R295-S298 WeakPolarHBondContact O-CB 3.4Å; R295-S298 PolarHBondContact O-N 3.04Å; R295-S298 PolarHBondContact O-OG 2.73Å
299	D	37.5	Very low	42.4	Very low	96 Å²	96	128.7 Å²	128.7	51%	0.513	62%	0.624	S	S	.	*			trans	-48.8	134.7	-179.1	-158.1	-31.6	0	0	0	111.2	E301 S302	D299-E301 PolarHBondContact O-N 2.82Å; D299-E301 VanDerWaalsContact O-N 3.11Å; D299-S302 WeakPolarHBondContact CB-OG 3.42Å; D299-S302 PolarHBondContact N-OG 2.82Å; D299-S302 WeakPolarHBondContact O-CB 3.36Å; D299-S302 PolarHBondContact O-N 2.87Å; D299-S302 PolarHBondContact O-OG 2.86Å
300	P	46.5	Very low	42.9	Very low	100 Å²	100	126.5 Å²	126.5	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-50.3	-29	174.3	14.3	-29.5	0	0	0	114.6	W303 Q304	P300-W303 WeakPolarHBondContact O-CB 3.4Å; P300-W303 PolarHBondContact O-N 3.14Å; P300-Q304 PolarHBondContact O-N 2.81Å
301	E	54.9	Low	43.3	Very low	130 Å²	130	132.4 Å²	132.4	61%	0.607	62%	0.622	S	S	*	*	H	α-helix	trans	-62.5	-40	172	-88.6	-169.6	152	0	0	112.8	D299 W303 Q304 Q305	D299-E301 PolarHBondContact O-N 2.82Å; D299-E301 VanDerWaalsContact O-N 3.11Å; E301-W303 PolarHBondContact O-N 2.95Å; E301-Q304 PolarHBondContact O-N 2.86Å; E301-Q304 VanDerWaalsContact O-N 3.13Å; E301-Q305 PolarHBondContact O-N 3.39Å
302	S	48	Very low	43.5	Very low	41 Å²	41	129.3 Å²	129.3	29%	0.287	61%	0.606	S	S	.	*	H	α-helix	trans	-61.4	-32.7	176.6	-5.4	0	0	0	0	112.2	D299 F306	D299-S302 WeakPolarHBondContact CB-OG 3.42Å; D299-S302 PolarHBondContact N-OG 2.82Å; D299-S302 WeakPolarHBondContact O-CB 3.36Å; D299-S302 PolarHBondContact O-N 2.87Å; D299-S302 PolarHBondContact O-OG 2.86Å; S302-F306 PolarHBondContact O-N 3.29Å; S302-F306 VanDerWaalsContact O-N 3.14Å
303	W	48.4	Very low	43.3	Very low	119 Å²	119	129.2 Å²	129.2	45%	0.451	61%	0.605	S	S	.	*	H	α-helix	trans	-70.8	-37.3	175.7	-84.6	97.9	0	0	0	112.5	C294 P300 E301 F306 R307	C294-W303 HydrophobicContact CB-CZ2 4.46Å; P300-W303 WeakPolarHBondContact O-CB 3.4Å; P300-W303 PolarHBondContact O-N 3.14Å; E301-W303 PolarHBondContact O-N 2.95Å; W303-F306 PolarHBondContact O-N 2.93Å; W303-R307 PolarHBondContact O-N 3.3Å; W303-R307 VanDerWaalsContact O-N 3.1Å
304	Q	48.3	Very low	43	Very low	131 Å²	131	123.6 Å²	123.6	61%	0.612	60%	0.598	S	S	*	*	H	α-helix	trans	-68.5	-38.2	174.5	-73.9	-175.2	-6	0	0	111.8	P300 E301 F306 R307 N308	P300-Q304 PolarHBondContact O-N 2.81Å; E301-Q304 PolarHBondContact O-N 2.86Å; E301-Q304 VanDerWaalsContact O-N 3.13Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 2.91Å; Q304-R307 PolarHBondContact O-N 3.29Å; Q304-N308 PolarHBondContact O-N 3.48Å
305	Q	49.9	Very low	42.6	Very low	125 Å²	125	126.7 Å²	126.7	58%	0.584	62%	0.62	S	S	*	*	H	α-helix	trans	-62.1	-41	174	-70.3	179.3	5	0	0	112.1	E301 N308 L309	E301-Q305 PolarHBondContact O-N 3.39Å; Q305-N308 PolarHBondContact O-N 2.85Å; Q305-L309 WeakPolarHBondContact O-CB 3.24Å; Q305-L309 WeakPolarHBondContact O-CD1 3.43Å; Q305-L309 WeakPolarHBondContact O-CG 3.27Å; Q305-L309 PolarHBondContact O-N 3.37Å
306	F	50.8	Low	42.2	Very low	95 Å²	95	122.9 Å²	122.9	42%	0.417	62%	0.615	S	S	.	*	H	α-helix	trans	-66.1	-37.4	176.7	-157.9	-87.4	0	0	0	112.4	S302 W303 Q304 L309 Q310	S302-F306 PolarHBondContact O-N 3.29Å; S302-F306 VanDerWaalsContact O-N 3.14Å; W303-F306 PolarHBondContact O-N 2.93Å; Q304-F306 VanDerWaalsContact C-N 3.34Å; Q304-F306 PolarHBondContact O-N 2.91Å; F306-L309 PolarHBondContact O-N 3.27Å; F306-Q310 PolarHBondContact O-N 3.25Å
307	R	45.4	Very low	41.3	Very low	148 Å²	148	116.9 Å²	116.9	56%	0.558	61%	0.61	S	S	*	*	H	α-helix	trans	-64.1	-46.8	172	-72.7	-150.6	-148.4	-160.9	10	111.7	W303 Q304 L309 Q310 F311	W303-R307 PolarHBondContact O-N 3.3Å; W303-R307 VanDerWaalsContact O-N 3.1Å; Q304-R307 PolarHBondContact O-N 3.29Å; R307-L309 PolarHBondContact O-N 3.33Å; R307-Q310 PolarHBondContact O-N 3.45Å; R307-F311 WeakPolarHBondContact O-CD2 3.37Å; R307-F311 PolarHBondContact O-N 2.63Å; R307-F311 VanDerWaalsContact O-N 3.15Å
308	N	49.3	Very low	40.8	Very low	114 Å²	114	115.3 Å²	115.3	61%	0.61	60%	0.6	S	S	*	*	H	α-helix	trans	-62.5	-33.4	-179.9	-70.5	-15.4	0	0	0	112	Q304 Q305 F311 S312	Q304-N308 PolarHBondContact O-N 3.48Å; Q305-N308 PolarHBondContact O-N 2.85Å; N308-F311 PolarHBondContact O-N 2.89Å; N308-S312 WeakPolarHBondContact O-CB 3.28Å; N308-S312 PolarHBondContact O-N 3.21Å; N308-S312 PolarHBondContact O-OG 3.18Å; N308-S312 VanDerWaalsContact O-OG 3.12Å
309	L	46.9	Very low	39.8	Very low	122 Å²	122	120.9 Å²	120.9	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-69.4	-29.4	173.9	-80.7	158.2	0	0	0	113.8	Q305 F306 R307 S312	Q305-L309 WeakPolarHBondContact O-CB 3.24Å; Q305-L309 WeakPolarHBondContact O-CD1 3.43Å; Q305-L309 WeakPolarHBondContact O-CG 3.27Å; Q305-L309 PolarHBondContact O-N 3.37Å; F306-L309 PolarHBondContact O-N 3.27Å; R307-L309 PolarHBondContact O-N 3.33Å; L309-S312 WeakPolarHBondContact CA-OG 3.28Å; L309-S312 PolarHBondContact O-OG 3.01Å; L309-S312 VanDerWaalsContact O-OG 3.13Å
310	Q	42.8	Very low	39.6	Very low	140 Å²	140	124.5 Å²	124.5	65%	0.654	64%	0.643	S	S	*	*	H	α-helix	trans	-78.1	-24.7	174.5	-102.5	-174.6	-14.7	0	0	113.3	F306 R307	F306-Q310 PolarHBondContact O-N 3.25Å; R307-Q310 PolarHBondContact O-N 3.45Å
311	F	39.4	Very low	38.5	Very low	173 Å²	173	126.9 Å²	126.9	76%	0.759	65%	0.65	S	S	*	*	H	α-helix	trans	-93.8	-9.3	175.6	-71.6	-71.9	0	0	0	113.6	R307 N308 E313	R307-F311 WeakPolarHBondContact O-CD2 3.37Å; R307-F311 PolarHBondContact O-N 2.63Å; R307-F311 VanDerWaalsContact O-N 3.15Å; N308-F311 PolarHBondContact O-N 2.89Å; F311-E313 PolarHBondContact O-N 3.33Å
312	S	34.6	Very low	37.3	Very low	69 Å²	69	128.2 Å²	128.2	48%	0.483	66%	0.656	S	S	.	*			trans	-90.8	71.5	167.5	59.9	0	0	0	0	110.2	N308 L309	N308-S312 WeakPolarHBondContact O-CB 3.28Å; N308-S312 PolarHBondContact O-N 3.21Å; N308-S312 PolarHBondContact O-OG 3.18Å; N308-S312 VanDerWaalsContact O-OG 3.12Å; L309-S312 WeakPolarHBondContact CA-OG 3.28Å; L309-S312 PolarHBondContact O-OG 3.01Å; L309-S312 VanDerWaalsContact O-OG 3.13Å
313	E	31.4	Very low	36.3	Very low	174 Å²	174	133.3 Å²	133.3	81%	0.813	68%	0.68	S	S	*	*			trans	-61	134.3	157.1	-86.8	-170	152.6	0	0	108.1	F311 S315	F311-E313 PolarHBondContact O-N 3.33Å; E313-S315 PolarHBondContact O-N 2.91Å; E313-S315 VanDerWaalsContact O-N 3.07Å
314	P	28.3	Very low	35.3	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	70%	0.695	S	S	*	*			trans	-63	116.4	175.4	25.9	-30.1	0	0	0	108	L316	P314-L316 PolarHBondContact O-N 3.28Å
315	S	26.1	Very low	34.1	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	71%	0.707	S	S	*	*			trans	-63.5	83.3	163.7	31.8	0	0	0	0	108.8	E313 S317	E313-S315 PolarHBondContact O-N 2.91Å; E313-S315 VanDerWaalsContact O-N 3.07Å; S315-S317 VanDerWaalsContact C-N 3.32Å; S315-S317 PolarHBondContact O-N 3.08Å
316	L	28.6	Very low	33.1	Very low	137 Å²	137	138.4 Å²	138.4	72%	0.717	72%	0.716	S	S	*	*			trans	-83.2	84.3	162.7	-83.6	163.7	0	0	0	107.8	P314 I318	P314-L316 PolarHBondContact O-N 3.28Å; L316-I318 HydrophobicContact CD2-CD1 4.39Å; L316-I318 PolarHBondContact O-N 3.5Å
317	S	24.3	Very low	31.7	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	74%	0.739	S	S	*	*			trans	-65.6	110.3	154.4	54	0	0	0	0	108.1	S315	S315-S317 VanDerWaalsContact C-N 3.32Å; S315-S317 PolarHBondContact O-N 3.08Å
318	I	31.3	Very low	30.8	Very low	130 Å²	130	140.2 Å²	140.2	67%	0.667	75%	0.745	S	S	*	*			trans	-126.4	108.4	163.1	-63.8	177.5	0	0	0	106.8	L316 M320	L316-I318 HydrophobicContact CD2-CD1 4.39Å; L316-I318 PolarHBondContact O-N 3.5Å; I318-M320 HydrophobicContact CG2-CG 4.3Å; I318-M320 PolarHBondContact O-N 3.15Å
319	D	23.8	Very low	29.5	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	75%	0.75	S	S	*	*			trans	-54.1	123.5	162.9	-81.8	-44.6	0	0	0	110
320	M	32	Very low	28.5	Very low	171 Å²	171	144.1 Å²	144.1	84%	0.842	76%	0.76	S	S	*	*			trans	-135	74.5	158.5	-71.5	-79.5	-105	0	0	107.4	I318	I318-M320 HydrophobicContact CG2-CG 4.3Å; I318-M320 PolarHBondContact O-N 3.15Å
321	N	23.9	Very low	27.5	Very low	150 Å²	150	145 Å²	145	80%	0.802	77%	0.769	S	S	*	*			trans	-82.3	95.1	157.5	-177.3	29.1	0	0	0	106.8
322	E	30.9	Very low	27	Very low	158 Å²	158	140.2 Å²	140.2	74%	0.738	77%	0.768	S	S	*	*			trans	-153	115	165	-109.6	174.9	-153.4	0	0	110.7	F324	E322-F324 PolarHBondContact O-N 3.06Å
323	N	25	Very low	26.7	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	79%	0.785	S	S	*	*			trans	-47.1	126.5	171.7	-79.8	-31.3	0	0	0	112.2
324	F	28	Very low	26.6	Very low	172 Å²	172	142.5 Å²	142.5	75%	0.754	78%	0.778	S	S	*	*			trans	-131.1	91.7	153.8	-83.1	-82.8	0	0	0	109.8	E322 L326	E322-F324 PolarHBondContact O-N 3.06Å; F324-L326 PolarHBondContact O-N 3.06Å
325	D	22.8	Very low	26.9	Very low	161 Å²	161	145 Å²	145	86%	0.861	79%	0.786	S	S	*	*			trans	-61.6	111.5	156.6	-84.4	-40.3	0	0	0	108.5
326	L	28.7	Very low	27.6	Very low	150 Å²	150	149.3 Å²	149.3	79%	0.785	78%	0.784	S	S	*	*			trans	-117.4	90.9	166.4	-90.5	162.5	0	0	0	109.6	F324 V328	F324-L326 PolarHBondContact O-N 3.06Å; L326-V328 PolarHBondContact O-N 3.49Å
327	N	22.4	Very low	28	Very low	167 Å²	167	145.5 Å²	145.5	89%	0.893	77%	0.767	S	S	*	*			trans	-62	111.2	165.2	-131.6	1.7	0	0	0	109
328	V	26.5	Very low	28.6	Very low	114 Å²	114	145.5 Å²	145.5	69%	0.691	75%	0.754	S	S	*	*			trans	-136.1	108.5	163.4	-175.5	0	0	0	0	109.6	L326	L326-V328 PolarHBondContact O-N 3.49Å
329	S	22	Very low	28.6	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	75%	0.746	S	S	*	*			trans	-64.7	139.4	169.5	179.3	0	0	0	0	111
330	Y	25.4	Very low	29	Very low	216 Å²	216	142.4 Å²	142.4	85%	0.847	75%	0.747	S	S	*	*			trans	-124.3	95.7	163.9	-107.1	-87.7	0	0	0	108.9
331	D	23.3	Very low	28.9	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	74%	0.738	S	S	*	*			trans	-76.8	130.4	150	-94.9	-30.8	0	0	0	107.4
332	G	27.7	Very low	29.3	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	74%	0.74	S	S	*	*			trans	153.6	99.5	172.4	0	0	0	0	0	113.6
333	E	27.7	Very low	29.5	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	75%	0.748	S	S	*	*			trans	-56.4	135.6	-178.6	-63.6	172.9	130.6	0	0	114.1	N335	E333-N335 PolarHBondContact O-N 3.36Å
334	V	30.6	Very low	30.2	Very low	110 Å²	110	135.9 Å²	135.9	67%	0.667	73%	0.733	S	S	*	*			trans	39.7	69.6	150.6	-162.2	0	0	0	0	116.8	R336	V334-R336 HydrophobicContact CG1-CG 4.04Å; V334-R336 PolarHBondContact O-N 3.28Å
335	N	33.4	Very low	30.8	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	72%	0.72	S	S	*	*			trans	-80.3	98.5	164.4	-98.7	-8.7	0	0	0	110.6	E333	E333-N335 PolarHBondContact O-N 3.36Å
336	R	40.8	Very low	31.9	Very low	209 Å²	209	126.9 Å²	126.9	79%	0.789	69%	0.693	S	S	*	*			trans	-90.1	-10.5	174.4	-85.8	-178.4	172.8	135.1	-0.6	114.1	V334	V334-R336 HydrophobicContact CG1-CG 4.04Å; V334-R336 PolarHBondContact O-N 3.28Å
337	T	37.8	Very low	32.7	Very low	57 Å²	57	127.1 Å²	127.1	35%	0.35	70%	0.695	S	S	.	*	S	Bend	trans	-153.1	143.6	-176.3	37.2	0	0	0	0	109.7	A339 D398	T337-A339 VanDerWaalsContact C-N 3.34Å; T337-A339 PolarHBondContact O-N 3.02Å; T337-D398 HydrophobicContact CG2-CB 4.36Å
338	E	37.5	Very low	33.8	Very low	111 Å²	111	124.4 Å²	124.4	52%	0.519	68%	0.677	S	S	.	*	B	Isolated β-bridge	trans	-72.4	91.3	164.3	-83.4	-173.1	151	0	0	108.3	Y401	E338-Y401 WeakPolarHBondContact OE2-CE2 3.39Å; E338-Y401 PolarHBondContact OE2-OH 3.03Å
339	A	30.2	Very low	34.6	Very low	61 Å²	61	122.4 Å²	122.4	50%	0.504	67%	0.665	S	S	.	*			trans	-99.3	115.3	163.4	0	0	0	0	0	107.3	T337	T337-A339 VanDerWaalsContact C-N 3.34Å; T337-A339 PolarHBondContact O-N 3.02Å
340	L	31.8	Very low	35.5	Very low	162 Å²	162	122.6 Å²	122.6	85%	0.848	66%	0.658	S	S	*	*			trans	168.2	132	146.1	-89	147.6	0	0	0	113.5	S344	L340-S344 PolarHBondContact O-OG 3.08Å
341	S	31.3	Very low	36.2	Very low	95 Å²	95	114.4 Å²	114.4	66%	0.664	63%	0.631	S	S	*	*			trans	73.1	99.9	164.6	173.7	0	0	0	0	118	N343 S344	S341-N343 PolarHBondContact O-N 3.03Å; S341-S344 PolarHBondContact O-N 2.91Å; S341-S344 PolarHBondContact O-OG 3.01Å; S341-S344 VanDerWaalsContact O-OG 3.12Å
342	N	30.7	Very low	37.1	Very low	156 Å²	156	110.8 Å²	110.8	83%	0.834	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-26.3	104.8	163.8	-63.8	-21.3	0	0	0	112.5
343	N	37	Very low	37.8	Very low	169 Å²	169	109.1 Å²	109.1	90%	0.904	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.1	7.9	177	-58.8	-23	0	0	0	117.6	S341 Q345	S341-N343 PolarHBondContact O-N 3.03Å; N343-Q345 PolarHBondContact O-N 3.33Å
344	S	38.4	Very low	38.1	Very low	70 Å²	70	109.2 Å²	109.2	49%	0.49	58%	0.584	S	S	.	*			trans	-93.5	54.8	177.5	50.7	0	0	0	0	113.7	L340 S341	L340-S344 PolarHBondContact O-OG 3.08Å; S341-S344 PolarHBondContact O-N 2.91Å; S341-S344 PolarHBondContact O-OG 3.01Å; S341-S344 VanDerWaalsContact O-OG 3.12Å
345	Q	41	Very low	38.1	Very low	100 Å²	100	111.5 Å²	111.5	47%	0.467	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-76.1	129.1	162.5	-173.3	172.7	14.4	0	0	107.8	N343 D347 N369	N343-Q345 PolarHBondContact O-N 3.33Å; Q345-D347 PolarHBondContact O-N 2.95Å; Q345-N369 WeakPolarHBondContact CG-ND2 3.3Å; Q345-N369 PolarHBondContact NE2-ND2 3.02Å; Q345-N369 PolarHBondContact NE2-OD1 3.37Å
346	S	45.8	Very low	38.3	Very low	43 Å²	43	105.9 Å²	105.9	30%	0.301	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-56.8	137.7	174.6	43.5	0	0	0	0	110.1	Q348 N369	S346-Q348 PolarHBondContact O-N 3.15Å; S346-Q348 VanDerWaalsContact O-N 3.13Å; S346-N369 PolarHBondContact O-ND2 3.06Å; S346-N369 WeakPolarHBondContact OG-CB 3.16Å
347	D	46.3	Very low	37.9	Very low	155 Å²	155	102 Å²	102	83%	0.829	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-46.2	122.7	-177	-77.4	-32	0	0	0	110	Q345 T349	Q345-D347 PolarHBondContact O-N 2.95Å; D347-T349 PolarHBondContact O-N 3.43Å; D347-T349 VanDerWaalsContact O-N 3.07Å
348	Q	45.1	Very low	38.1	Very low	111 Å²	111	102.1 Å²	102.1	52%	0.519	56%	0.561	S	S	.	*			trans	-66	112.6	-175.6	-166.8	169.9	25.9	0	0	109.1	S346 Q371	S346-Q348 PolarHBondContact O-N 3.15Å; S346-Q348 VanDerWaalsContact O-N 3.13Å; Q348-Q371 HydrophobicContact CG-CB 4.43Å
349	T	42.1	Very low	37.9	Very low	71 Å²	71	105.5 Å²	105.5	44%	0.436	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	113.9	177.1	16.8	0	0	0	0	110.1	D347 V351	D347-T349 PolarHBondContact O-N 3.43Å; D347-T349 VanDerWaalsContact O-N 3.07Å; T349-V351 PolarHBondContact O-N 3.35Å
350	D	42.7	Very low	38	Very low	107 Å²	107	107.4 Å²	107.4	57%	0.572	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77	120.7	169.6	-74.9	-21.3	0	0	0	109.8	H373	D350-H373 IonicContact OD1-CD2 3.8Å
351	V	40.1	Very low	38.2	Very low	43 Å²	43	111 Å²	111	26%	0.261	58%	0.581	S	S	.	*			trans	-113.1	113.8	174	175.5	0	0	0	0	109.1	T349 I353 L370	T349-V351 PolarHBondContact O-N 3.35Å; V351-I353 HydrophobicContact CG1-CD1 4.34Å; V351-I353 HydrophobicContact CG1-CG1 4Å; V351-L370 HydrophobicContact CB-CD2 3.95Å; V351-L370 HydrophobicContact CG2-CD2 3.28Å
352	S	41.6	Very low	38.3	Very low	83 Å²	83	112 Å²	112	58%	0.58	58%	0.579	S	S	*	*			trans	-110.9	115.1	172.6	-165.3	0	0	0	0	110.4
353	I	42.2	Very low	38.3	Very low	36 Å²	36	113 Å²	113	19%	0.185	58%	0.58	C	S	.	*			trans	-104.1	106.8	175.8	-56.7	174.5	0	0	0	107.5	V351 S356 F358	V351-I353 HydrophobicContact CG1-CD1 4.34Å; V351-I353 HydrophobicContact CG1-CG1 4Å; I353-S356 WeakPolarHBondContact CG2-OG 3.21Å; I353-F358 HydrophobicContact CD1-CZ 4.43Å; I353-F358 HydrophobicContact CG2-CE2 4.4Å; I353-F358 HydrophobicContact CG2-CZ 4.27Å
354	R	33.9	Very low	38.6	Very low	183 Å²	183	111.7 Å²	111.7	69%	0.691	57%	0.567	S	S	*	*			trans	-111.9	130.1	170.5	-79.8	-176.1	167.7	-177.3	-1.9	109.9	S356	R354-S356 PolarHBondContact O-N 3.46Å
355	L	31.2	Very low	38.5	Very low	158 Å²	158	112.8 Å²	112.8	83%	0.827	57%	0.57	S	S	*	*	S	Bend	trans	55.1	50.2	172.3	-74.1	147.6	0	0	0	114.7
356	S	36	Very low	38.5	Very low	44 Å²	44	111.3 Å²	111.3	31%	0.308	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-102.7	134.7	174.9	-52.8	0	0	0	0	111.4	I353 R354	I353-S356 WeakPolarHBondContact CG2-OG 3.21Å; R354-S356 PolarHBondContact O-N 3.46Å
357	T	33.7	Very low	37.9	Very low	127 Å²	127	111.7 Å²	111.7	78%	0.779	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-102.9	120.8	167.8	47.7	0	0	0	0	108.4
358	F	42.1	Very low	37.8	Very low	60 Å²	60	107.1 Å²	107.1	26%	0.263	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-99.4	125.6	175.9	-62.4	-82.4	0	0	0	108.6	I353 K364 L383	I353-F358 HydrophobicContact CD1-CZ 4.43Å; I353-F358 HydrophobicContact CG2-CE2 4.4Å; I353-F358 HydrophobicContact CG2-CZ 4.27Å; F358-K364 HydrophobicContact CD1-CD 4.44Å; F358-K364 HydrophobicContact CE1-CD 4.08Å; F358-L383 HydrophobicContact CB-CD1 4.1Å
359	R	33.6	Very low	37.7	Very low	181 Å²	181	102.4 Å²	102.4	68%	0.683	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-92.5	149.1	172.1	-72.2	-172.1	-179.7	179.7	3.8	110.1	R361 V604	R359-R361 VanDerWaalsContact C-N 3.25Å; R359-R361 PolarHBondContact O-N 3.21Å; R359-V604 VanDerWaalsContact NH2-CG1 3.35Å
360	S	32.3	Very low	37.6	Very low	101 Å²	101	100.9 Å²	100.9	71%	0.706	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	38.6	-162.3	-169.3	0	0	0	0	117.6
361	R	35.7	Very low	37.5	Very low	237 Å²	237	99.8 Å²	99.8	89%	0.894	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	-9.1	176.8	-75.3	-166.4	-173.2	172.8	2.6	118.1	R359	R359-R361 VanDerWaalsContact C-N 3.25Å; R359-R361 PolarHBondContact O-N 3.21Å
362	D	33.4	Very low	37.3	Very low	117 Å²	117	102.2 Å²	102.2	63%	0.626	52%	0.522	S	S	*	.			trans	-102.6	106.3	-178.4	-59	-20.6	0	0	0	110.5	K364	D362-K364 HydrophobicContact CB-CG 4.47Å; D362-K364 PolarHBondContact O-N 3.02Å
363	M	30.4	Very low	37	Very low	176 Å²	176	103.8 Å²	103.8	87%	0.867	52%	0.52	S	S	*	.			trans	-64.1	103.4	163.4	-80.6	-155.4	-102.4	0	0	108
364	K	42.4	Very low	36.4	Very low	143 Å²	143	104.5 Å²	104.5	62%	0.622	54%	0.536	S	S	*	.			trans	-98.4	93.9	170.2	-70.7	-172.8	179.1	-174.1	0	108.6	F358 D362 L366	F358-K364 HydrophobicContact CD1-CD 4.44Å; F358-K364 HydrophobicContact CE1-CD 4.08Å; D362-K364 HydrophobicContact CB-CG 4.47Å; D362-K364 PolarHBondContact O-N 3.02Å; K364-L366 PolarHBondContact O-N 3.04Å
365	T	37.9	Very low	36.3	Very low	92 Å²	92	98.5 Å²	98.5	56%	0.564	53%	0.526	S	S	*	.			trans	-80.3	108.8	170.2	-22.5	0	0	0	0	108	G367 L403	T365-G367 PolarHBondContact O-N 2.96Å; T365-L403 HydrophobicContact CG2-CD2 3.47Å; T365-L403 VanDerWaalsContact CG2-CD2 3.47Å
366	L	40.5	Very low	36.2	Very low	70 Å²	70	96 Å²	96	37%	0.366	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-90.3	92.4	168.8	-87	162.8	0	0	0	107.1	K364 L370	K364-L366 PolarHBondContact O-N 3.04Å; L366-L370 HydrophobicContact CB-CD1 3.73Å; L366-L370 HydrophobicContact CD2-CD1 4.04Å; L366-L370 HydrophobicContact CG-CD1 4.37Å
367	G	33.6	Very low	36	Very low	50 Å²	50	98.9 Å²	98.9	52%	0.515	52%	0.522	S	S	.	.			trans	-95.9	159.8	167.5	0	0	0	0	0	110.4	T365	T365-G367 PolarHBondContact O-N 2.96Å
368	S	44.3	Very low	35.9	Very low	60 Å²	60	96.7 Å²	96.7	42%	0.42	50%	0.503	S	S	.	.	S	Bend	trans	87.3	164.5	-177.1	76.6	0	0	0	0	116.3	L370	S368-L370 WeakPolarHBondContact O-CG 3.12Å; S368-L370 PolarHBondContact O-N 2.94Å
369	N	41.4	Very low	35.3	Very low	11 Å²	11	99.2 Å²	99.2	6%	0.059	51%	0.511	C	S	.	.			trans	-60.8	83	-162.4	-167.9	32.1	0	0	0	114.1	Q345 S346 N391	Q345-N369 WeakPolarHBondContact CG-ND2 3.3Å; Q345-N369 PolarHBondContact NE2-ND2 3.02Å; Q345-N369 PolarHBondContact NE2-OD1 3.37Å; S346-N369 PolarHBondContact O-ND2 3.06Å; S346-N369 WeakPolarHBondContact OG-CB 3.16Å; N369-N391 PolarHBondContact OD1-ND2 3.28Å
370	L	41.3	Very low	35.2	Very low	40 Å²	40	94.8 Å²	94.8	21%	0.209	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	-173.9	-70	159.2	0	0	0	111.9	V351 L366 S368 F372	V351-L370 HydrophobicContact CB-CD2 3.95Å; V351-L370 HydrophobicContact CG2-CD2 3.28Å; L366-L370 HydrophobicContact CB-CD1 3.73Å; L366-L370 HydrophobicContact CD2-CD1 4.04Å; L366-L370 HydrophobicContact CG-CD1 4.37Å; S368-L370 WeakPolarHBondContact O-CG 3.12Å; S368-L370 PolarHBondContact O-N 2.94Å; L370-F372 HydrophobicContact CB-CE2 4.41Å
371	Q	39.9	Very low	35.1	Very low	84 Å²	84	95.1 Å²	95.1	39%	0.393	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.6	166.3	-169.2	166.9	22.9	0	0	109.6	Q348 H373	Q348-Q371 HydrophobicContact CG-CB 4.43Å; Q371-H373 PolarHBondContact O-N 3.06Å
372	F	35.7	Very low	34.6	Very low	93 Å²	93	93.1 Å²	93.1	41%	0.408	50%	0.5	S	S	.	.			trans	-81.9	101.8	178.7	-93.1	-87.8	0	0	0	111.5	L370 G374 V388	L370-F372 HydrophobicContact CB-CE2 4.41Å; F372-G374 PolarHBondContact O-N 3.17Å; F372-V388 HydrophobicContact CD2-CG1 4.41Å; F372-V388 HydrophobicContact CE2-CG1 3.73Å; F372-V388 HydrophobicContact CZ-CG1 4.29Å
373	H	34.7	Very low	34.4	Very low	117 Å²	117	90.5 Å²	90.5	54%	0.542	49%	0.485	S	S	.	.			trans	-88.1	81.7	166.7	-76.9	-67.5	0	0	0	111.1	D350 Q371	D350-H373 IonicContact OD1-CD2 3.8Å; Q371-H373 PolarHBondContact O-N 3.06Å
374	G	29.8	Very low	34.2	Very low	50 Å²	50	87.7 Å²	87.7	52%	0.515	48%	0.482	S	S	.	.			trans	64.9	96.9	159.8	0	0	0	0	0	117.2	F372 N376	F372-G374 PolarHBondContact O-N 3.17Å; G374-N376 PolarHBondContact O-N 2.89Å; G374-N376 VanDerWaalsContact O-N 3.14Å
375	A	32.7	Very low	33.5	Very low	57 Å²	57	88.1 Å²	88.1	47%	0.471	49%	0.491	S	S	.	.			trans	-79.7	87.4	168.5	0	0	0	0	0	111
376	N	29.3	Very low	33.2	Very low	105 Å²	105	87.9 Å²	87.9	56%	0.561	49%	0.493	S	S	*	.			trans	-85.3	116.3	170.2	-76.3	-13.3	0	0	0	110	G374	G374-N376 PolarHBondContact O-N 2.89Å; G374-N376 VanDerWaalsContact O-N 3.14Å
377	H	30.3	Very low	32.9	Very low	106 Å²	106	86.7 Å²	86.7	49%	0.491	49%	0.493	S	S	.	.			trans	70	59.2	172.1	-54.6	-60.9	0	0	0	117.8	Y629	H377-Y629 AromaticContact CE1-CE1 3.87Å
378	Q	32.6	Very low	33	Very low	81 Å²	81	88.9 Å²	88.9	38%	0.379	50%	0.497	S	S	.	.			trans	-83.2	121.6	161	-80	-175.6	-6.6	0	0	111.2	V380	Q378-V380 HydrophobicContact CB-CG2 4.09Å; Q378-V380 PolarHBondContact O-N 3.21Å
379	Y	28.6	Very low	32.6	Very low	113 Å²	113	89.3 Å²	89.3	44%	0.443	49%	0.494	S	S	.	.			trans	-84.7	91.2	164.2	-77.8	-87.2	0	0	0	108.5	H165 T381	H165-Y379 AromaticContact CE1-CE1 3.83Å; H165-Y379 AromaticContact ND1-CE1 3.87Å; H165-Y379 AromaticContact NE2-CE1 3.95Å; Y379-T381 PolarHBondContact O-N 3.06Å
380	V	33	Very low	32.5	Very low	88 Å²	88	93.2 Å²	93.2	53%	0.533	52%	0.522	S	S	.	.			trans	-83.7	89.4	175.6	-175.9	0	0	0	0	109	Q378 K382 L383	Q378-V380 HydrophobicContact CB-CG2 4.09Å; Q378-V380 PolarHBondContact O-N 3.21Å; V380-K382 PolarHBondContact O-N 2.74Å; V380-L383 HydrophobicContact CG1-CB 4.32Å; V380-L383 HydrophobicContact CG1-CD1 4.39Å
381	T	28.6	Very low	32.6	Very low	108 Å²	108	93.6 Å²	93.6	66%	0.663	53%	0.525	S	S	*	.			trans	-76.5	101.5	164.9	31.3	0	0	0	0	109	Y379 L383	Y379-T381 PolarHBondContact O-N 3.06Å; T381-L383 PolarHBondContact O-N 3.25Å
382	K	26.7	Very low	32.5	Very low	194 Å²	194	93.6 Å²	93.6	84%	0.843	53%	0.53	S	S	*	.			trans	32.6	68.2	167.9	-73.2	-175.5	175.3	-178	0	113.9	V380	V380-K382 PolarHBondContact O-N 2.74Å
383	L	28.5	Very low	32.7	Very low	62 Å²	62	93.1 Å²	93.1	33%	0.325	53%	0.532	S	S	.	.			trans	-83.4	115.1	163.5	-85.5	161.2	0	0	0	108.1	F358 V380 T381	F358-L383 HydrophobicContact CB-CD1 4.1Å; V380-L383 HydrophobicContact CG1-CB 4.32Å; V380-L383 HydrophobicContact CG1-CD1 4.39Å; T381-L383 PolarHBondContact O-N 3.25Å
384	C	25.5	Very low	32.8	Very low	117 Å²	117	95.2 Å²	95.2	79%	0.791	54%	0.535	S	S	*	.	S	Bend	trans	-67.5	127.5	160.3	-63.4	0	0	0	0	107.9
385	N	28.5	Very low	33.2	Very low	152 Å²	152	99.8 Å²	99.8	81%	0.813	55%	0.548	S	S	*	.			trans	62.2	53.7	167	-56.5	-10.2	0	0	0	118	A387	N385-A387 PolarHBondContact O-N 3.07Å
386	S	31.4	Very low	33.7	Very low	87 Å²	87	102.8 Å²	102.8	61%	0.608	56%	0.555	S	S	*	*			trans	-78.4	102.1	158.4	42.3	0	0	0	0	110
387	A	33.8	Very low	33.8	Very low	46 Å²	46	103.4 Å²	103.4	38%	0.38	56%	0.558	S	S	.	*			trans	-85.9	110.6	167.5	0	0	0	0	0	108.8	N385	N385-A387 PolarHBondContact O-N 3.07Å
388	V	35.9	Very low	33.7	Very low	96 Å²	96	101.2 Å²	101.2	58%	0.582	55%	0.55	S	S	*	.	B	Isolated β-bridge	trans	-105.2	103.1	165.3	179.3	0	0	0	0	105.2	F372	F372-V388 HydrophobicContact CD2-CG1 4.41Å; F372-V388 HydrophobicContact CE2-CG1 3.73Å; F372-V388 HydrophobicContact CZ-CG1 4.29Å
389	D	37.3	Very low	33.7	Very low	69 Å²	69	98.7 Å²	98.7	37%	0.369	54%	0.537	S	S	.	.			trans	-96.4	113.5	178.2	-158.2	23.4	0	0	0	108.5	A402	D389-A402 WeakPolarHBondContact OD2-CA 3.46Å; D389-A402 WeakPolarHBondContact OD2-CB 3.37Å; D389-A402 PolarHBondContact OD2-N 3.43Å
390	S	39.3	Very low	34	Very low	92 Å²	92	97.9 Å²	97.9	64%	0.643	54%	0.537	S	S	*	.			trans	-95.1	124.5	172.7	55.9	0	0	0	0	108	V392	S390-V392 PolarHBondContact O-N 3.37Å
391	N	41.5	Very low	34.2	Very low	49 Å²	49	98.1 Å²	98.1	26%	0.262	53%	0.529	S	S	.	.			trans	-35.7	127.8	-174.8	-63.8	-7.4	0	0	0	114.1	N369 D393	N369-N391 PolarHBondContact OD1-ND2 3.28Å; N391-D393 PolarHBondContact O-N 2.76Å
392	V	39.6	Very low	34.6	Very low	84 Å²	84	95.3 Å²	95.3	51%	0.509	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	93.5	163.3	-179.6	0	0	0	0	107.4	S390 R394	S390-V392 PolarHBondContact O-N 3.37Å; V392-R394 PolarHBondContact O-N 3.45Å; V392-R394 VanDerWaalsContact O-N 3.13Å
393	D	39.4	Very low	35.1	Very low	83 Å²	83	92 Å²	92	44%	0.444	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	104.6	171.4	-85.7	-25.8	0	0	0	109.7	N391 N395 Y399	N391-D393 PolarHBondContact O-N 2.76Å; D393-N395 PolarHBondContact O-N 3.34Å; D393-Y399 WeakPolarHBondContact OD1-CE1 3.49Å
394	R	35.7	Very low	35.2	Very low	161 Å²	161	94.2 Å²	94.2	61%	0.608	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	98.1	157.4	-81	-175.9	175.9	166.5	3.8	107.8	V392 N396 I397 D398	V392-R394 PolarHBondContact O-N 3.45Å; V392-R394 VanDerWaalsContact O-N 3.13Å; R394-N396 VanDerWaalsContact C-N 3.3Å; R394-N396 PolarHBondContact O-N 3.32Å; R394-N396 VanDerWaalsContact O-N 3.17Å; R394-I397 PolarHBondContact O-N 2.82Å; R394-D398 HydrophobicContact CB-CB 4.31Å; R394-D398 PolarHBondContact O-N 3.09Å
395	N	39.9	Very low	35.6	Very low	146 Å²	146	93.3 Å²	93.3	78%	0.781	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	26.5	168	-62	-23	0	0	0	116.7	D393 I397	D393-N395 PolarHBondContact O-N 3.34Å; N395-I397 WeakPolarHBondContact O-CG1 3.37Å; N395-I397 PolarHBondContact O-N 3.16Å; N395-I397 VanDerWaalsContact O-N 3.14Å
396	N	41.4	Very low	35.8	Very low	119 Å²	119	98.6 Å²	98.6	64%	0.636	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	19.4	175	-138.8	36.3	0	0	0	113.8	R394	R394-N396 VanDerWaalsContact C-N 3.3Å; R394-N396 PolarHBondContact O-N 3.32Å; R394-N396 VanDerWaalsContact O-N 3.17Å
397	I	31.8	Very low	35.7	Very low	119 Å²	119	99.9 Å²	99.9	61%	0.61	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-32.1	-175.6	-62.2	161.3	0	0	0	110.8	R394 N395	R394-I397 PolarHBondContact O-N 2.82Å; N395-I397 WeakPolarHBondContact O-CG1 3.37Å; N395-I397 PolarHBondContact O-N 3.16Å; N395-I397 VanDerWaalsContact O-N 3.14Å
398	D	29.6	Very low	35.5	Very low	60 Å²	60	99.9 Å²	99.9	32%	0.321	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.2	-178.8	-65	-44.9	0	0	0	110.3	T337 R394	T337-D398 HydrophobicContact CG2-CB 4.36Å; R394-D398 HydrophobicContact CB-CB 4.31Å; R394-D398 PolarHBondContact O-N 3.09Å
399	Y	32.5	Very low	35.1	Very low	28 Å²	28	103.6 Å²	103.6	11%	0.11	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.9	168.6	-65.4	-73.9	0	0	0	109.3	D393	D393-Y399 WeakPolarHBondContact OD1-CE1 3.49Å
400	E	33.4	Very low	34.5	Very low	95 Å²	95	110.1 Å²	110.1	44%	0.444	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	112	173.9	-167.6	173.7	-176.9	0	0	108.8
401	Y	37.8	Very low	33.9	Very low	94 Å²	94	109.4 Å²	109.4	37%	0.369	57%	0.566	S	S	.	*			trans	-89.8	102.7	173.8	-58.2	-80.6	0	0	0	108.7	E338 L403	E338-Y401 WeakPolarHBondContact OE2-CE2 3.39Å; E338-Y401 PolarHBondContact OE2-OH 3.03Å; Y401-L403 PolarHBondContact O-N 2.92Å
402	A	37.4	Very low	33	Very low	48 Å²	48	118.1 Å²	118.1	40%	0.397	60%	0.596	S	S	.	*			trans	-95.5	82.9	-173.5	0	0	0	0	0	111.4	D389 P404	D389-A402 WeakPolarHBondContact OD2-CA 3.46Å; D389-A402 WeakPolarHBondContact OD2-CB 3.37Å; D389-A402 PolarHBondContact OD2-N 3.43Å; A402-P404 WeakPolarHBondContact O-CD 3.48Å
403	L	36.6	Very low	32.5	Very low	125 Å²	125	119.8 Å²	119.8	65%	0.654	61%	0.609	S	S	*	*			trans	-70.7	120.3	161.5	-76	167.9	0	0	0	109.1	T365 Y401 D405	T365-L403 HydrophobicContact CG2-CD2 3.47Å; T365-L403 VanDerWaalsContact CG2-CD2 3.47Å; Y401-L403 PolarHBondContact O-N 2.92Å; L403-D405 VanDerWaalsContact C-N 3.33Å; L403-D405 PolarHBondContact O-N 3.31Å
404	P	31.2	Very low	31.7	Very low	108 Å²	108	123.3 Å²	123.3	70%	0.701	63%	0.626	S	S	*	*			trans	-80.5	83.7	-179.7	32.5	-31.4	0	0	0	109.2	A402	A402-P404 WeakPolarHBondContact O-CD 3.48Å
405	D	34.6	Very low	31.2	Very low	98 Å²	98	122.2 Å²	122.2	52%	0.524	64%	0.636	S	S	.	*			trans	-118.1	78.2	169	-145.6	-17.9	0	0	0	110.4	L403 S407 A408	L403-D405 VanDerWaalsContact C-N 3.33Å; L403-D405 PolarHBondContact O-N 3.31Å; D405-S407 PolarHBondContact O-N 3.25Å; D405-A408 PolarHBondContact OD1-N 3.41Å; D405-A408 WeakPolarHBondContact OD2-CB 3.31Å
406	R	31	Very low	30.4	Very low	263 Å²	263	118.2 Å²	118.2	99%	0.992	62%	0.624	S	S	*	*	S	Bend	trans	-82.7	6.1	173.7	-102.3	-174	-179.7	-172.8	1.2	113.1
407	S	30.2	Very low	29.6	Very low	114 Å²	114	122 Å²	122	80%	0.797	64%	0.635	S	S	*	*	S	Bend	trans	-125.4	-16	-176	42.4	0	0	0	0	115.7	D405 Q409	D405-S407 PolarHBondContact O-N 3.25Å; S407-Q409 PolarHBondContact O-N 3.09Å
408	A	30.1	Very low	29.2	Very low	47 Å²	47	121.5 Å²	121.5	39%	0.388	64%	0.637	S	S	.	*			trans	-96.8	88.2	174.2	0	0	0	0	0	111.5	D405 F410	D405-A408 PolarHBondContact OD1-N 3.41Å; D405-A408 WeakPolarHBondContact OD2-CB 3.31Å; A408-F410 PolarHBondContact O-N 3.44Å
409	Q	26.3	Very low	28.9	Very low	174 Å²	174	125 Å²	125	81%	0.813	66%	0.661	S	S	*	*	S	Bend	trans	-54.4	125.7	151.1	-71	174.8	0.9	0	0	106.4	S407	S407-Q409 PolarHBondContact O-N 3.09Å
410	F	25.4	Very low	28.6	Very low	205 Å²	205	128.2 Å²	128.2	90%	0.899	68%	0.684	S	S	*	*	S	Bend	trans	84.6	56	177	-48.9	-81.1	0	0	0	118.8	A408	A408-F410 PolarHBondContact O-N 3.44Å
411	A	25.9	Very low	28.1	Very low	77 Å²	77	131.8 Å²	131.8	64%	0.636	71%	0.706	S	S	*	*			trans	-138.2	93.8	154.1	0	0	0	0	0	110.7
412	R	24.2	Very low	27.5	Very low	232 Å²	232	135.9 Å²	135.9	88%	0.875	73%	0.726	S	S	*	*			trans	-67.5	138.2	170.8	-71.4	179.8	175.3	-177.3	-2.7	109	I414	R412-I414 PolarHBondContact O-N 3Å; R412-I414 VanDerWaalsContact O-N 3.12Å
413	P	27.2	Very low	26.9	Very low	120 Å²	120	138.4 Å²	138.4	78%	0.779	74%	0.739	S	S	*	*			trans	-66.5	113.3	177.2	25.9	-30.7	0	0	0	109.9	V415	P413-V415 PolarHBondContact O-N 3.32Å
414	I	24.4	Very low	26.4	Very low	156 Å²	156	136.9 Å²	136.9	80%	0.8	74%	0.744	S	S	*	*			trans	-78.2	101.5	168.7	-60.8	173.7	0	0	0	106.7	R412 A416	R412-I414 PolarHBondContact O-N 3Å; R412-I414 VanDerWaalsContact O-N 3.12Å; I414-A416 VanDerWaalsContact C-N 3.28Å; I414-A416 HydrophobicContact CG2-CB 4.15Å; I414-A416 PolarHBondContact O-N 3.49Å; I414-A416 VanDerWaalsContact O-N 3.07Å
415	V	25.2	Very low	26.1	Very low	138 Å²	138	140.7 Å²	140.7	84%	0.836	75%	0.75	S	S	*	*			trans	-78.4	83.8	167.2	-178.3	0	0	0	0	107.6	P413 K417	P413-V415 PolarHBondContact O-N 3.32Å; V415-K417 PolarHBondContact O-N 3.47Å
416	A	22.9	Very low	25.7	Very low	63 Å²	63	142.7 Å²	142.7	52%	0.521	76%	0.761	S	S	.	*			trans	-87.1	101.1	169.4	0	0	0	0	0	109	I414 T418	I414-A416 VanDerWaalsContact C-N 3.28Å; I414-A416 HydrophobicContact CG2-CB 4.15Å; I414-A416 PolarHBondContact O-N 3.49Å; I414-A416 VanDerWaalsContact O-N 3.07Å; A416-T418 VanDerWaalsContact C-N 3.27Å; A416-T418 PolarHBondContact O-N 3.31Å; A416-T418 PolarHBondContact O-OG1 3.41Å
417	K	23.9	Very low	25.5	Very low	198 Å²	198	137.5 Å²	137.5	86%	0.861	75%	0.751	S	S	*	*			trans	-67.5	85.5	169.9	-157.2	175.4	-170.5	176.2	0	108.5	V415	V415-K417 PolarHBondContact O-N 3.47Å
418	T	24.3	Very low	25.3	Very low	108 Å²	108	136.4 Å²	136.4	66%	0.663	74%	0.743	S	S	*	*			trans	-102.1	94.1	176.7	36.9	0	0	0	0	109.8	A416 T420	A416-T418 VanDerWaalsContact C-N 3.27Å; A416-T418 PolarHBondContact O-N 3.31Å; A416-T418 PolarHBondContact O-OG1 3.41Å; T418-T420 PolarHBondContact O-N 2.81Å
419	T	22.9	Very low	25.2	Very low	135 Å²	135	140.8 Å²	140.8	83%	0.828	76%	0.76	S	S	*	*			trans	-65.6	93.7	161.9	43.9	0	0	0	0	108.7
420	T	25.7	Very low	25.1	Very low	95 Å²	95	137.6 Å²	137.6	58%	0.583	76%	0.757	S	S	*	*			trans	-120.1	106.7	168.1	47.8	0	0	0	0	109.4	T418 F422	T418-T420 PolarHBondContact O-N 2.81Å; T420-F422 PolarHBondContact O-N 2.73Å; T420-F422 VanDerWaalsContact O-N 3.09Å
421	N	23.1	Very low	25	Very low	170 Å²	170	133.5 Å²	133.5	91%	0.909	75%	0.748	S	S	*	*			trans	-64.2	101.4	173.9	-76.5	-32.4	0	0	0	109.5
422	F	25.1	Very low	25	Very low	179 Å²	179	138.9 Å²	138.9	79%	0.785	76%	0.758	S	S	*	*			trans	-94.2	131.5	164.4	-79.7	-83.2	0	0	0	109.9	T420 A424	T420-F422 PolarHBondContact O-N 2.73Å; T420-F422 VanDerWaalsContact O-N 3.09Å; F422-A424 PolarHBondContact O-N 2.76Å; F422-A424 VanDerWaalsContact O-N 3.08Å
423	P	24.8	Very low	25	Very low	102 Å²	102	134.1 Å²	134.1	66%	0.662	75%	0.754	S	S	*	*			trans	-70.7	107.7	176.6	27.8	-30.5	0	0	0	109.3	F425	P423-F425 PolarHBondContact O-N 2.87Å; P423-F425 VanDerWaalsContact O-N 3.09Å
424	A	26.1	Very low	24.9	Very low	93 Å²	93	134 Å²	134	77%	0.769	75%	0.754	S	S	*	*			trans	-63.8	107.1	165.6	0	0	0	0	0	108.7	F422 N426	F422-A424 PolarHBondContact O-N 2.76Å; F422-A424 VanDerWaalsContact O-N 3.08Å; A424-N426 VanDerWaalsContact C-N 3.27Å; A424-N426 PolarHBondContact O-N 3.4Å
425	F	25	Very low	24.9	Very low	188 Å²	188	134.6 Å²	134.6	83%	0.825	76%	0.758	S	S	*	*			trans	-68.9	90.6	167.5	-82.7	-85.1	0	0	0	109	P423 I427	P423-F425 PolarHBondContact O-N 2.87Å; P423-F425 VanDerWaalsContact O-N 3.09Å; F425-I427 PolarHBondContact O-N 3.3Å; F425-I427 VanDerWaalsContact O-N 3.16Å
426	N	26.2	Very low	25	Very low	140 Å²	140	132.9 Å²	132.9	75%	0.749	76%	0.758	S	S	*	*			trans	-76.4	94.1	173.9	-152.7	-7.9	0	0	0	108.5	A424 S428	A424-N426 VanDerWaalsContact C-N 3.27Å; A424-N426 PolarHBondContact O-N 3.4Å; N426-S428 PolarHBondContact O-N 3.38Å; N426-S428 VanDerWaalsContact O-N 3.1Å
427	I	26.1	Very low	25.1	Very low	153 Å²	153	136.3 Å²	136.3	79%	0.785	77%	0.768	S	S	*	*			trans	-82.9	77.5	166.9	-55.5	176.6	0	0	0	106.7	F425 N429	F425-I427 PolarHBondContact O-N 3.3Å; F425-I427 VanDerWaalsContact O-N 3.16Å; I427-N429 PolarHBondContact O-N 3.09Å
428	S	27.4	Very low	25.2	Very low	91 Å²	91	133.5 Å²	133.5	64%	0.636	76%	0.758	S	S	*	*			trans	-68	120.1	166.4	42.9	0	0	0	0	108.5	N426 S430	N426-S428 PolarHBondContact O-N 3.38Å; N426-S428 VanDerWaalsContact O-N 3.1Å; S428-S430 PolarHBondContact O-N 3.45Å
429	N	27.4	Very low	25.4	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	76%	0.759	S	S	*	*			trans	-58.3	110.2	165.6	-84.8	-38.9	0	0	0	108	I427 V431	I427-N429 PolarHBondContact O-N 3.09Å; N429-V431 PolarHBondContact O-N 3.08Å
430	S	24.1	Very low	25.5	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	75%	0.752	S	S	*	*			trans	-50.5	124.3	161.8	54.7	0	0	0	0	110	S428	S428-S430 PolarHBondContact O-N 3.45Å
431	V	23.6	Very low	25.7	Very low	119 Å²	119	134.8 Å²	134.8	72%	0.721	76%	0.759	S	S	*	*				169.7	135	123.6	171.8	0	0	0	0	107.4	N429	N429-V431 PolarHBondContact O-N 3.08Å
432	F	25.8	Very low	25.7	Very low	191 Å²	191	136.3 Å²	136.3	84%	0.838	76%	0.759	S	S	*	*			trans	100	77.1	-179	-71.2	-77.4	0	0	0	116.9
433	T	23.6	Very low	25.6	Very low	131 Å²	131	133 Å²	133	80%	0.804	76%	0.756	S	S	*	*			trans	-75.6	134.6	143	20.2	0	0	0	0	109.5
434	P	25	Very low	25.5	Very low	118 Å²	118	136.1 Å²	136.1	77%	0.766	76%	0.762	S	S	*	*				-116.1	128.7	129.4	4.2	15	0	0	0	109.4	A436	P434-A436 PolarHBondContact O-N 2.99Å
435	L	23.7	Very low	25.4	Very low	168 Å²	168	138.5 Å²	138.5	88%	0.88	76%	0.759	S	S	*	*			trans	-49.3	129	164.3	-89.9	69.4	0	0	0	110.5
436	A	28.3	Very low	25.5	Very low	103 Å²	103	138.2 Å²	138.2	85%	0.851	76%	0.757	S	S	*	*			trans	-159.7	131.9	137.8	0	0	0	0	0	109.3	P434	P434-A436 PolarHBondContact O-N 2.99Å
437	N	25.1	Very low	25.3	Very low	134 Å²	134	141.2 Å²	141.2	72%	0.717	76%	0.764	S	S	*	*			trans	-86.1	156.4	-164.5	-158.9	21.2	0	0	0	111
438	E	26.9	Very low	25.3	Very low	139 Å²	139	139.4 Å²	139.4	65%	0.65	77%	0.765	S	S	*	*			trans	70.6	120.6	147.7	-81.6	170.9	-145.5	0	0	121.4
439	N	26.7	Very low	25.2	Very low	128 Å²	128	144.3 Å²	144.3	68%	0.684	78%	0.778	S	S	*	*			trans	77.4	112.6	133.4	-62.3	-20.2	0	0	0	119.1
440	S	26.7	Very low	25.2	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	78%	0.777	S	S	*	*				98.4	130.2	123.9	77.8	0	0	0	0	118.9
441	N	28.2	Very low	25.2	Very low	140 Å²	140	143.7 Å²	143.7	75%	0.749	78%	0.779	S	S	*	*			trans	74.4	106.4	147.9	-53.7	-28	0	0	0	117.2
442	F	23.4	Very low	25.5	Very low	203 Å²	203	145.4 Å²	145.4	89%	0.89	78%	0.784	S	S	*	*				51.8	106.5	92.1	-107.6	-86.7	0	0	0	113.5
443	C	23.4	Very low	25.5	Very low	108 Å²	108	142.2 Å²	142.2	73%	0.73	78%	0.78	S	S	*	*			trans	156.6	111.6	131.9	-84.1	0	0	0	0	108.7
444	Q	23.6	Very low	25.7	Very low	169 Å²	169	144.1 Å²	144.1	79%	0.79	79%	0.785	S	S	*	*				66.6	109.3	96.9	-131.4	-175.9	32.7	0	0	112.2
445	M	23.8	Very low	25.8	Very low	143 Å²	143	143.5 Å²	143.5	70%	0.704	78%	0.783	S	S	*	*				162.4	124.4	109.6	-82.4	-140.1	-102.9	0	0	114.2
446	K	26	Very low	26.2	Very low	182 Å²	182	144.7 Å²	144.7	79%	0.791	78%	0.784	S	S	*	*			trans	65.8	115.7	130.5	-67.6	-178	177	174.4	0	120.6
447	F	22.6	Very low	26.2	Very low	202 Å²	202	144.8 Å²	144.8	89%	0.886	78%	0.779	S	S	*	*			trans	-44	143.6	147.6	-75.7	-93.8	0	0	0	113.2
448	S	27	Very low	26.6	Very low	115 Å²	115	147.1 Å²	147.1	80%	0.804	78%	0.782	S	S	*	*			trans	-152.5	116.9	143.6	-70.2	0	0	0	0	109.1
449	Q	24.2	Very low	26.7	Very low	194 Å²	194	147.4 Å²	147.4	91%	0.907	79%	0.788	S	S	*	*			trans	-60.5	140.6	160.1	-73.7	171.8	-3.6	0	0	109.3
450	S	26.6	Very low	26.9	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	79%	0.792	S	S	*	*			trans	-159.6	107.5	147.8	37.9	0	0	0	0	109.7
451	T	26	Very low	26.9	Very low	129 Å²	129	148.4 Å²	148.4	79%	0.791	80%	0.8	S	S	*	*			trans	-59.3	118.5	159.3	35.2	0	0	0	0	110.2	T453	T451-T453 PolarHBondContact O-N 3.4Å; T451-T453 VanDerWaalsContact O-N 3.15Å
452	D	28.1	Very low	27	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	80%	0.8	S	S	*	*			trans	-79.7	88.3	166.2	-82.9	-35.1	0	0	0	110.1
453	T	27.6	Very low	27	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	79%	0.791	S	S	*	*			trans	-102	92.6	152.6	40.5	0	0	0	0	107.7	T451 S455	T451-T453 PolarHBondContact O-N 3.4Å; T451-T453 VanDerWaalsContact O-N 3.15Å; T453-S455 PolarHBondContact O-N 3.35Å
454	L	27.8	Very low	27.4	Very low	172 Å²	172	148.7 Å²	148.7	90%	0.901	80%	0.8	S	S	*	*			trans	-89.4	98.3	175.5	-159.8	81.9	0	0	0	109.8
455	S	27.1	Very low	27.7	Very low	104 Å²	104	147.7 Å²	147.7	73%	0.727	80%	0.8	S	S	*	*			trans	-119.4	107.1	161.2	54.2	0	0	0	0	108.1	T453	T453-S455 PolarHBondContact O-N 3.35Å
456	Q	31.5	Very low	28.1	Very low	194 Å²	194	146.3 Å²	146.3	91%	0.907	80%	0.804	S	S	*	*			trans	-155.2	112.5	157.2	-110.9	171.8	28.7	0	0	110.8
457	S	27.6	Very low	28.3	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	80%	0.799	S	S	*	*			trans	-79.2	152.1	167.2	57.5	0	0	0	0	111.4
458	K	33.2	Very low	28.7	Very low	182 Å²	182	139.6 Å²	139.6	79%	0.791	79%	0.793	S	S	*	*			trans	101.5	99.1	157.4	-66.3	179.9	175.8	175.3	0	118.1
459	N	30.3	Very low	28.9	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	79%	0.789	S	S	*	*				94.9	134.6	122	-66.1	-4	0	0	0	120.9
460	S	30	Very low	29.2	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	78%	0.782	S	S	*	*			trans	75.7	100.8	169.2	75.7	0	0	0	0	115.7
461	V	26.1	Very low	29.5	Very low	138 Å²	138	137 Å²	137	84%	0.836	79%	0.786	S	S	*	*				58.7	103.1	69.9	-174.7	0	0	0	0	111
462	V	30.2	Very low	29.7	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	79%	0.786	S	S	*	*				-174.7	125.9	112.9	160	0	0	0	0	108.1
463	S	24.8	Very low	30	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	79%	0.79	S	S	*	*			trans	-70.2	151.3	174.2	-45.7	0	0	0	0	112.6
464	Y	31.9	Very low	30.1	Very low	230 Å²	230	140.5 Å²	140.5	90%	0.902	79%	0.792	S	S	*	*			trans	-150.5	117.5	136.6	-94.7	-74.9	0	0	0	110.2
465	D	29	Very low	30.4	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	79%	0.792	S	S	*	*			trans	-56.9	149.1	164.3	-86	-60.8	0	0	0	112
466	S	33.5	Very low	30.6	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	79%	0.789	S	S	*	*			trans	-174.2	89	139	-75	0	0	0	0	111.3
467	S	29	Very low	30.6	Very low	98 Å²	98	141.8 Å²	141.8	69%	0.685	78%	0.782	S	S	*	*			trans	20.7	132	130.7	55.3	0	0	0	0	122.2
468	L	31.5	Very low	30.6	Very low	145 Å²	145	144.5 Å²	144.5	76%	0.759	78%	0.781	S	S	*	*				114.9	123.6	128.5	-78.3	151.3	0	0	0	120.1
469	N	32	Very low	30.4	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	78%	0.777	S	S	*	*			trans	82.5	101.9	147.6	-67.6	-17.6	0	0	0	118.6
470	S	28.6	Very low	30.3	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	78%	0.782	S	S	*	*				83.9	100.9	63.5	70.1	0	0	0	0	114
471	S	33.8	Very low	30.2	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	79%	0.787	S	S	*	*			trans	-167	97	147.2	49.3	0	0	0	0	110.8
472	S	29.8	Very low	30.4	Very low	112 Å²	112	151 Å²	151	78%	0.783	79%	0.786	S	S	*	*			trans	-2.5	122.5	152.1	53.5	0	0	0	0	120.2
473	Q	34.4	Very low	30.3	Very low	199 Å²	199	150.4 Å²	150.4	93%	0.93	79%	0.787	S	S	*	*			trans	-132.4	110.4	135.7	-83.6	-168.7	-6	0	0	109
474	Q	31	Very low	30.4	Very low	171 Å²	171	153.1 Å²	153.1	80%	0.799	79%	0.793	S	S	*	*			trans	-75.1	116.6	172.4	-76.2	-179.8	-17.4	0	0	109.6
475	Q	34.3	Very low	30.4	Very low	192 Å²	192	149.9 Å²	149.9	90%	0.897	79%	0.791	S	S	*	*			trans	-104	108.7	151.5	-81.2	-173.9	-11.1	0	0	107.5	Q477	Q475-Q477 PolarHBondContact O-N 3.25Å
476	Q	30.2	Very low	30.3	Very low	144 Å²	144	150.1 Å²	150.1	67%	0.673	79%	0.791	S	S	*	*			trans	-68.8	112.4	176.9	-72.2	-178	-4.9	0	0	110	F478	Q476-F478 HydrophobicContact CB-CE2 4.2Å
477	Q	30.8	Very low	30.2	Very low	160 Å²	160	150.5 Å²	150.5	75%	0.748	79%	0.794	S	S	*	*			trans	-91	104.9	170.6	-158.7	174.2	17.2	0	0	108.1	Q475 H479	Q475-Q477 PolarHBondContact O-N 3.25Å; Q477-H479 PolarHBondContact O-N 3.07Å
478	F	28.5	Very low	30.1	Very low	162 Å²	162	150.2 Å²	150.2	71%	0.711	80%	0.797	S	S	*	*			trans	-77	107.1	175.9	-78.6	-86.1	0	0	0	110.4	Q476	Q476-F478 HydrophobicContact CB-CE2 4.2Å
479	H	28.3	Very low	30.1	Very low	156 Å²	156	152.7 Å²	152.7	72%	0.722	81%	0.805	S	S	*	*			trans	-91.6	114	166	-78.5	-71.9	0	0	0	110.2	Q477	Q477-H479 PolarHBondContact O-N 3.07Å
480	F	28.1	Very low	29.9	Very low	197 Å²	197	158 Å²	158	86%	0.864	82%	0.815	S	S	*	*			trans	-84.4	110.9	167	-82.2	-85.6	0	0	0	110.2
481	R	29.3	Very low	29.9	Very low	232 Å²	232	158.2 Å²	158.2	88%	0.875	82%	0.816	S	S	*	*			trans	-96.2	123.3	167.2	-112.1	-175.1	176.5	-176.4	-0.1	109	S483	R481-S483 PolarHBondContact O-N 2.95Å
482	P	28.7	Very low	29.8	Very low	125 Å²	125	161.5 Å²	161.5	81%	0.812	82%	0.819	S	S	*	*			trans	-77.6	111.8	166.4	-7.1	23.9	0	0	0	109.4	L484	P482-L484 PolarHBondContact O-N 3Å
483	S	29.4	Very low	29.5	Very low	112 Å²	112	163.9 Å²	163.9	78%	0.783	82%	0.822	S	S	*	*			trans	-74.4	114.6	171.2	-59	0	0	0	0	110	R481	R481-S483 PolarHBondContact O-N 2.95Å
484	L	27.2	Very low	29.4	Very low	159 Å²	159	159.3 Å²	159.3	83%	0.832	81%	0.809	S	S	*	*			trans	-77.2	117.7	161.4	-74.4	164	0	0	0	108	P482	P482-L484 PolarHBondContact O-N 3Å
485	L	31.5	Very low	29.2	Very low	163 Å²	163	158.3 Å²	158.3	85%	0.853	81%	0.808	S	S	*	*			trans	-113	99.3	160.5	-74.3	174.4	0	0	0	107.9
486	L	26.7	Very low	28.7	Very low	153 Å²	153	154.5 Å²	154.5	80%	0.801	80%	0.802	S	S	*	*			trans	-71.7	125.5	148.5	-88	97.1	0	0	0	107.1
487	S	31.4	Very low	28.6	Very low	123 Å²	123	152.6 Å²	152.6	86%	0.86	81%	0.805	S	S	*	*			trans	-127.4	118.2	148.9	-82.8	0	0	0	0	107.6
488	A	27	Very low	28.3	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	81%	0.807	S	S	*	*			trans	-98.5	128.8	173.9	0	0	0	0	0	108.8
489	E	31.9	Very low	28.1	Very low	197 Å²	197	151.9 Å²	151.9	92%	0.921	82%	0.815	S	S	*	*			trans	-155.3	105.6	158.9	-93.1	179.5	153.6	0	0	103.4
490	R	27.6	Very low	27.9	Very low	245 Å²	245	154.4 Å²	154.4	93%	0.925	82%	0.819	S	S	*	*			cis	80	77.8	42.6	-149.9	-175	-165.2	177.8	4.7	113.7
491	S	29	Very low	27.9	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	82%	0.816	S	S	*	*			trans	171.9	141.8	147.7	51.1	0	0	0	0	107.1
492	E	30.1	Very low	27.5	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	80%	0.804	S	S	*	*			cis	-168.9	137.5	-0.3	-107	172.2	162.6	0	0	103.8
493	L	25.1	Very low	27.5	Very low	162 Å²	162	145.2 Å²	145.2	85%	0.848	80%	0.802	S	S	*	*			trans	-71.2	165.8	166.7	-103.2	108	0	0	0	109.1
494	P	30.5	Very low	27.3	Very low	102 Å²	102	145.5 Å²	145.5	66%	0.662	80%	0.799	S	S	*	*				-162.9	167.3	52.4	45	-22	0	0	0	121.1
495	I	27	Very low	27	Very low	151 Å²	151	143 Å²	143	77%	0.774	79%	0.793	S	S	*	*			trans	77.9	132.5	139.2	-68.3	154.6	0	0	0	122.5
496	S	25.1	Very low	26.7	Very low	111 Å²	111	145 Å²	145	78%	0.776	80%	0.795	S	S	*	*			trans	77.7	127.5	153.2	-170.6	0	0	0	0	116.8
497	S	28.3	Very low	26.6	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	80%	0.795	S	S	*	*			cis	-153.2	128.3	40.6	53	0	0	0	0	112.9
498	V	23.4	Very low	26.3	Very low	129 Å²	129	145.1 Å²	145.1	78%	0.782	80%	0.795	S	S	*	*			trans	-77.7	132.5	156.6	171.5	0	0	0	0	107.7
499	M	25.6	Very low	26.3	Very low	178 Å²	178	152.1 Å²	152.1	88%	0.877	80%	0.802	S	S	*	*			trans	-137	99.9	155.4	-89.6	-128.4	-170.6	0	0	109.3
500	Y	22.6	Very low	26	Very low	209 Å²	209	147.7 Å²	147.7	82%	0.82	79%	0.793	S	S	*	*			trans	-63.3	135.9	147.3	-106.1	-105.5	0	0	0	108.2
501	T	27.7	Very low	25.9	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	79%	0.789	S	S	*	*			trans	-158.6	118.3	137.5	34.2	0	0	0	0	108.2
502	S	22.5	Very low	25.9	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	79%	0.793	S	S	*	*			trans	-54.8	156.2	153.8	48.4	0	0	0	0	109.8
503	D	28	Very low	25.9	Very low	143 Å²	143	143 Å²	143	77%	0.765	78%	0.781	S	S	*	*				166	114.9	127.1	-75.6	-11.2	0	0	0	111.2
504	T	25.1	Very low	26.1	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	78%	0.779	S	S	*	*			trans	0.8	137.9	144.5	51	0	0	0	0	120
505	C	21	Very low	26.1	Very low	105 Å²	105	142.1 Å²	142.1	71%	0.709	79%	0.785	S	S	*	*			trans	57	122.6	140.8	-60	0	0	0	0	118.3
506	F	26	Very low	26.4	Very low	205 Å²	205	140.3 Å²	140.3	90%	0.899	78%	0.781	S	S	*	*				179.3	116.8	124.6	-94.4	-69	0	0	0	110
507	S	23.2	Very low	26.6	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	78%	0.783	S	S	*	*			trans	-57.2	140.3	157.9	-70.9	0	0	0	0	110.1
508	L	26.7	Very low	26.6	Very low	165 Å²	165	142 Å²	142	86%	0.864	78%	0.781	S	S	*	*			trans	-164.8	120.8	147.7	-103.9	150.1	0	0	0	111.5
509	R	25.3	Very low	27.1	Very low	239 Å²	239	140.3 Å²	140.3	90%	0.902	77%	0.774	S	S	*	*			trans	-56.7	146	166.9	-70.2	174.8	170.5	-176	-3.3	111.3
510	S	26.1	Very low	27.4	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	77%	0.767	S	S	*	*			trans	-176.1	110.4	140.6	24.1	0	0	0	0	109.2
511	N	25.9	Very low	27.6	Very low	159 Å²	159	135.6 Å²	135.6	85%	0.85	77%	0.765	S	S	*	*				65.1	117.3	101.1	-75	-12.8	0	0	0	114.4
512	K	29.9	Very low	27.8	Very low	196 Å²	196	134.7 Å²	134.7	85%	0.852	77%	0.765	S	S	*	*				172.1	135.4	103.4	-125.8	166	176.4	171.5	0	113.5
513	S	29.6	Very low	28.1	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	77%	0.772	S	S	*	*			trans	62.1	142.2	139	57.4	0	0	0	0	120.2
514	N	29.1	Very low	28.1	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	77%	0.767	S	S	*	*			cis	-170.1	138.6	4.4	-95.5	-15.4	0	0	0	107.7
515	A	31.1	Very low	28.3	Very low	95 Å²	95	138.3 Å²	138.3	79%	0.785	77%	0.77	S	S	*	*			trans	-171.7	83.5	149.4	0	0	0	0	0	106.5
516	V	31.5	Very low	28.6	Very low	113 Å²	113	139.2 Å²	139.2	69%	0.685	77%	0.774	S	S	*	*				76.1	114	86.5	175.1	0	0	0	0	112.6
517	N	30.1	Very low	28.9	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	77%	0.771	S	S	*	*			trans	78.4	134.7	162.4	-56.9	-13.7	0	0	0	116.9
518	S	29.6	Very low	29	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	77%	0.769	S	S	*	*			cis	-179.7	150	-0.9	164.2	0	0	0	0	105
519	S	32.7	Very low	29.2	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	77%	0.768	S	S	*	*			trans	62.9	131.9	158.2	35.6	0	0	0	0	117.1
520	D	32.3	Very low	29.5	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	76%	0.759	S	S	*	*			cis	-159.3	127.5	10.7	-79.8	-40.4	0	0	0	105.6
521	I	27.6	Very low	29.7	Very low	151 Å²	151	135 Å²	135	77%	0.774	75%	0.753	S	S	*	*				60.1	127.2	92.9	-58.1	174.9	0	0	0	114.9
522	S	30.9	Very low	30	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	75%	0.745	S	S	*	*			trans	95.9	141.3	159.9	80.7	0	0	0	0	116.7
523	L	28.3	Very low	30	Very low	149 Å²	149	132.2 Å²	132.2	78%	0.78	74%	0.742	S	S	*	*			cis	178	149.9	-21.4	-159.9	76	0	0	0	104.1
524	C	28.2	Very low	30.1	Very low	99 Å²	99	133.8 Å²	133.8	67%	0.669	75%	0.753	S	S	*	*			trans	70.7	145.9	158.7	-66.2	0	0	0	0	117.8
525	K	29.8	Very low	30	Very low	178 Å²	178	129.9 Å²	129.9	77%	0.774	75%	0.748	S	S	*	*			cis	-177.3	145.3	-13.9	-115	177.7	176.9	177.7	0	103.1
526	P	26.7	Very low	29.8	Very low	124 Å²	124	134 Å²	134	81%	0.805	76%	0.757	S	S	*	*			trans	-88.2	132.1	173	33.4	-27.5	0	0	0	110.3
527	Q	31.7	Very low	29.5	Very low	178 Å²	178	132.8 Å²	132.8	83%	0.832	76%	0.758	S	S	*	*			trans	-160	117.8	163.6	-118.3	173.1	-15.1	0	0	111.8
528	T	26.5	Very low	29.2	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	76%	0.757	S	S	*	*			trans	-1.9	133.3	147.3	35.8	0	0	0	0	119.5
529	E	31	Very low	29	Very low	179 Å²	179	134.6 Å²	134.6	84%	0.836	76%	0.763	S	S	*	*				-170.4	126.2	118.6	-112	175.6	171.9	0	0	113.9
530	M	30.6	Very low	28.7	Very low	145 Å²	145	135.8 Å²	135.8	71%	0.714	77%	0.768	S	S	*	*			trans	58.3	131.1	139.7	-74.6	-176.7	71.6	0	0	125.2
531	D	30.8	Very low	28.6	Very low	112 Å²	112	136.2 Å²	136.2	60%	0.599	77%	0.769	S	S	*	*			trans	84.2	96.1	136.8	-70.7	-0.8	0	0	0	121.6
532	N	32.1	Very low	28.5	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	77%	0.765	S	S	*	*				177.4	105.2	94	-89.1	-43.3	0	0	0	109.5
533	Q	30.7	Very low	28.4	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	77%	0.772	S	S	*	*				78.6	113.8	106.2	-75.4	-170.9	12.8	0	0	115.5
534	S	31.4	Very low	28.4	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	77%	0.77	S	S	*	*			trans	62.3	120.8	152.9	45.2	0	0	0	0	117.3
535	G	26	Very low	28.3	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	78%	0.776	S	S	*	*			cis	129.8	135.1	20.9	0	0	0	0	0	108.4
536	L	28.6	Very low	28.4	Very low	183 Å²	183	136.3 Å²	136.3	96%	0.958	78%	0.779	S	S	*	*			trans	95.1	102.5	167	-58.6	163	0	0	0	117.4
537	A	23.5	Very low	28.4	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	78%	0.778	S	S	*	*			trans	-75.2	170.9	161.6	0	0	0	0	0	112.6
538	C	24.2	Very low	28.4	Very low	118 Å²	118	131.4 Å²	131.4	80%	0.797	77%	0.773	S	S	*	*			trans	80.8	103.9	156.7	-56.6	0	0	0	0	117.9
539	Q	26.4	Very low	28.6	Very low	171 Å²	171	132 Å²	132	80%	0.799	77%	0.771	S	S	*	*				163.4	154.2	99.1	-89.3	-155.2	-7.1	0	0	112.3
540	P	25.8	Very low	28.5	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	77%	0.766	S	S	*	*			trans	-83.4	132.9	179.7	34.2	-29.7	0	0	0	110.2
541	L	29.9	Very low	28.6	Very low	146 Å²	146	130.6 Å²	130.6	76%	0.764	77%	0.772	S	S	*	*			trans	-111.3	111	175.5	-115.3	96	0	0	0	112.8
542	V	25.3	Very low	28.4	Very low	114 Å²	114	129.1 Å²	129.1	69%	0.691	78%	0.776	S	S	*	*			trans	-51.2	137.5	151.9	177.2	0	0	0	0	109.9	T544	V542-T544 WeakPolarHBondContact CG1-OG1 3.47Å
543	W	29.9	Very low	28.4	Very low	243 Å²	243	130 Å²	130	92%	0.92	78%	0.78	S	S	*	*			trans	-109	94.4	161.6	-79.7	70.3	0	0	0	108.8
544	T	28.1	Very low	28.3	Very low	119 Å²	119	127.2 Å²	127.2	73%	0.73	78%	0.775	S	S	*	*			trans	-81.6	151.5	166.2	-11.9	0	0	0	0	109.2	V542	V542-T544 WeakPolarHBondContact CG1-OG1 3.47Å
545	G	25.2	Very low	28	Very low	77 Å²	77	126.1 Å²	126.1	79%	0.794	77%	0.767	S	S	*	*			trans	-60.3	156.3	-171.6	0	0	0	0	0	116.3
546	V	31.9	Very low	28.1	Very low	137 Å²	137	129.3 Å²	129.3	83%	0.83	77%	0.767	S	S	*	*			trans	-123.7	105.4	162.4	-176.4	0	0	0	0	106.9
547	S	26.6	Very low	28.3	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	76%	0.76	S	S	*	*			trans	-71.4	130.2	156.1	179.9	0	0	0	0	107.9
548	A	31.3	Very low	28.5	Very low	88 Å²	88	133.9 Å²	133.9	73%	0.727	77%	0.766	S	S	*	*			trans	-159	123.7	156.5	0	0	0	0	0	108.9
549	D	32.2	Very low	29	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	76%	0.764	S	S	*	*			trans	-61.1	165.7	-175.2	-66.4	-57.7	0	0	0	115.6
550	D	28.8	Very low	28.9	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	76%	0.763	S	S	*	*			trans	51.2	110.5	141.4	-69.7	-25.2	0	0	0	118.5
551	D	32.1	Very low	29.1	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	77%	0.771	S	S	*	*				173.2	135	95.5	-101.5	-36	0	0	0	112.3
552	A	27.6	Very low	28.9	Very low	81 Å²	81	138.8 Å²	138.8	67%	0.669	77%	0.773	S	S	*	*			trans	-70.3	132	162.4	0	0	0	0	0	109.9
553	N	30.2	Very low	29.1	Very low	146 Å²	146	139 Å²	139	78%	0.781	78%	0.779	S	S	*	*			trans	-178.8	118.8	135.2	-100	-40.2	0	0	0	114.8
554	T	29.2	Very low	28.9	Very low	111 Å²	111	135 Å²	135	68%	0.681	78%	0.776	S	S	*	*				42.4	118	127.7	48.8	0	0	0	0	121.9
555	S	25.7	Very low	29	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	79%	0.786	S	S	*	*			trans	49.2	130.4	135.7	77.3	0	0	0	0	121.1
556	L	28.5	Very low	29	Very low	136 Å²	136	144.3 Å²	144.3	71%	0.712	79%	0.79	S	S	*	*				166.8	137.9	112.2	-102.5	122.1	0	0	0	111.9
557	K	32.8	Very low	28.9	Very low	188 Å²	188	144.1 Å²	144.1	82%	0.817	79%	0.788	S	S	*	*			trans	85	107.9	146.5	-75.1	165.3	174.1	177.2	0	121
558	Q	27.8	Very low	28.9	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	79%	0.793	S	S	*	*			trans	-60.9	167.8	148.9	-70.5	-176	-43.9	0	0	112.2
559	P	32.8	Very low	28.6	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	79%	0.789	S	S	*	*				-143.4	143.3	104.2	34.4	-18.2	0	0	0	116.4
560	F	25.2	Very low	28.4	Very low	178 Å²	178	148.2 Å²	148.2	78%	0.781	80%	0.795	S	S	*	*			trans	31.5	125.8	133.5	-89.8	-99.4	0	0	0	121.4
561	M	29.8	Very low	28.1	Very low	185 Å²	185	147.6 Å²	147.6	91%	0.911	80%	0.796	S	S	*	*				-176.6	141.4	93.4	-107.9	-161.8	140.6	0	0	112.6
562	E	25.7	Very low	27.9	Very low	172 Å²	172	146 Å²	146	80%	0.804	79%	0.792	S	S	*	*			trans	-104.2	133.5	-173.1	-169.5	169.3	-155.2	0	0	108.9
563	S	30.3	Very low	27.7	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	80%	0.796	S	S	*	*			trans	-154	119.6	155.9	60.9	0	0	0	0	112.1
564	N	25.4	Very low	27.5	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	80%	0.798	S	S	*	*			trans	-70.1	126.8	167.2	-80.3	-57.4	0	0	0	110.1
565	M	30.8	Very low	27.3	Very low	189 Å²	189	147.4 Å²	147.4	93%	0.931	79%	0.793	S	S	*	*			trans	-139.6	136	155.1	-90.6	-140.6	173.9	0	0	111.9
566	K	24.4	Very low	27.4	Very low	204 Å²	204	150.9 Å²	150.9	89%	0.887	80%	0.804	S	S	*	*			trans	-117.8	101.2	-164.9	174.6	-172.9	-174.7	-179.6	0	107.7
567	V	30.2	Very low	27.4	Very low	132 Å²	132	152.3 Å²	152.3	80%	0.8	81%	0.807	S	S	*	*			trans	-157.4	99.4	169.2	-173.1	0	0	0	0	107.1
568	K	25.9	Very low	27.2	Very low	202 Å²	202	148.2 Å²	148.2	88%	0.878	81%	0.808	S	S	*	*				66	108.8	82.8	-154.1	179.4	-170.6	-177.4	0	113.7
569	G	25.3	Very low	27.3	Very low	63 Å²	63	145 Å²	145	65%	0.649	80%	0.797	S	S	*	*			trans	77.6	118.8	156.6	0	0	0	0	0	116.1
570	N	27.4	Very low	27	Very low	159 Å²	159	148 Å²	148	85%	0.85	79%	0.794	S	S	*	*				179.2	116.7	112	-84.5	-6.6	0	0	0	110.4
571	T	23.1	Very low	27.1	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	80%	0.8	S	S	*	*			trans	-47.7	129.7	157.1	-31.1	0	0	0	0	109.8
572	V	28.5	Very low	27	Very low	121 Å²	121	143.6 Å²	143.6	73%	0.733	79%	0.785	S	S	*	*			trans	-126.1	86	158.4	-177.5	0	0	0	0	106.8
573	Q	23.3	Very low	27.3	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	79%	0.787	S	S	*	*			trans	-68	123.7	149.3	-87.1	176.9	-65.9	0	0	106.7
574	C	26.2	Very low	27.2	Very low	120 Å²	120	142.6 Å²	142.6	81%	0.811	78%	0.778	S	S	*	*			trans	-112.7	87.7	157.7	-76.1	0	0	0	0	107.4
575	S	24.6	Very low	27.4	Very low	84 Å²	84	141.7 Å²	141.7	59%	0.587	77%	0.773	S	S	*	*			trans	-57.6	131.4	157.3	4.5	0	0	0	0	109.2
576	N	28.3	Very low	27.5	Very low	172 Å²	172	141.1 Å²	141.1	92%	0.92	77%	0.77	S	S	*	*			trans	-123.9	95.2	149.5	-97.3	-8.1	0	0	0	106.9
577	E	26.8	Very low	27.7	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	77%	0.765	S	S	*	*			trans	-64.5	127.6	166.5	-65	174.1	155.8	0	0	109.6
578	A	29.6	Very low	27.8	Very low	101 Å²	101	138.6 Å²	138.6	84%	0.835	77%	0.765	S	S	*	*			trans	-143.1	73.3	148.8	0	0	0	0	0	106.3
579	N	29.9	Very low	28	Very low	112 Å²	112	138.1 Å²	138.1	60%	0.599	77%	0.766	S	S	*	*				69.7	106.6	96.3	-96.9	-4.8	0	0	0	115.4
580	Y	25.4	Very low	28.5	Very low	182 Å²	182	141.3 Å²	141.3	71%	0.714	77%	0.772	S	S	*	*			trans	63.9	125.8	150.5	-54.8	-76.2	0	0	0	117.2
581	L	29.1	Very low	28.6	Very low	173 Å²	173	139.9 Å²	139.9	91%	0.906	77%	0.765	S	S	*	*			cis	-134.6	130.5	49	-86	99.8	0	0	0	114.3
582	T	26	Very low	29	Very low	96 Å²	96	138.7 Å²	138.7	59%	0.589	76%	0.761	S	S	*	*			trans	-74.8	127.5	163.6	7.1	0	0	0	0	111	T584	T582-T584 HydrophobicContact CG2-CG2 4.23Å
583	I	33.7	Very low	29.4	Very low	167 Å²	167	140.2 Å²	140.2	86%	0.856	77%	0.765	S	S	*	*			trans	-129.2	85.5	140.6	-58.4	-178.2	0	0	0	106.4
584	T	27.4	Very low	29.9	Very low	102 Å²	102	139.1 Å²	139.1	63%	0.626	77%	0.765	S	S	*	*			trans	-61.8	123.5	157	34.8	0	0	0	0	109.4	T582	T582-T584 HydrophobicContact CG2-CG2 4.23Å
585	D	29.9	Very low	30.2	Very low	141 Å²	141	142.5 Å²	142.5	75%	0.754	77%	0.766	S	S	*	*				164.8	121	121.7	-95.8	-23.7	0	0	0	110.1
586	M	33.1	Very low	30.6	Very low	176 Å²	176	144 Å²	144	87%	0.867	77%	0.774	S	S	*	*			trans	159.4	76.8	140.4	-82	-69.3	151.9	0	0	107.7	H588	M586-H588 PolarHBondContact O-N 3.06Å
587	S	29	Very low	30.9	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	77%	0.77	S	S	*	*			trans	-67.7	116.2	169.9	53.7	0	0	0	0	111.1
588	H	31.5	Very low	31.5	Very low	172 Å²	172	143.6 Å²	143.6	80%	0.796	77%	0.77	S	S	*	*			trans	-129.5	114.1	150.7	-93	-70.8	0	0	0	109.1	M586 V590	M586-H588 PolarHBondContact O-N 3.06Å; H588-V590 PolarHBondContact O-N 2.92Å
589	H	29.9	Very low	31.9	Very low	193 Å²	193	146 Å²	146	89%	0.894	77%	0.774	S	S	*	*			trans	-3.2	97.2	165.1	-90.3	-76.6	0	0	0	116.7
590	V	35.2	Very low	32.5	Very low	130 Å²	130	144.3 Å²	144.3	79%	0.788	77%	0.771	S	S	*	*			trans	-93.9	108.1	156.5	178.3	0	0	0	0	107.2	H588 S592	H588-V590 PolarHBondContact O-N 2.92Å; V590-S592 PolarHBondContact O-N 3.13Å
591	N	30.3	Very low	33.5	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	78%	0.777	S	S	*	*			trans	-61.3	99.2	168.8	-162.9	7.8	0	0	0	108.1	N593	N591-N593 VanDerWaalsContact C-N 3.25Å; N591-N593 PolarHBondContact O-N 3.07Å
592	S	31.5	Very low	34.8	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	75.2	-178	57.8	0	0	0	0	110.2	V590	V590-S592 PolarHBondContact O-N 3.13Å
593	N	36.6	Very low	36.6	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.6	3.4	160	-94.2	-21.8	0	0	0	113.6	N591 K595	N591-N593 VanDerWaalsContact C-N 3.25Å; N591-N593 PolarHBondContact O-N 3.07Å; N593-K595 PolarHBondContact O-N 3.12Å
594	N	34.5	Very low	38.2	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	74%	0.738	S	S	*	*			trans	-99.1	84.7	172.7	-70.9	-14.6	0	0	0	109.6
595	K	31.6	Very low	40.2	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	74%	0.737	S	S	*	*			trans	-49.2	129.7	161.7	-142.5	174.3	-172.7	-179.8	0	106.9	N593 Q597	N593-K595 PolarHBondContact O-N 3.12Å; K595-Q597 PolarHBondContact O-N 3.17Å
596	P	34.2	Very low	42	Very low	116 Å²	116	132 Å²	132	75%	0.753	72%	0.72	S	S	*	*			trans	-60.4	107.4	170.4	24.3	-29.1	0	0	0	106	L598	P596-L598 VanDerWaalsContact C-N 3.31Å; P596-L598 PolarHBondContact O-N 3.11Å
597	Q	33	Very low	43.7	Very low	182 Å²	182	127.8 Å²	127.8	85%	0.85	70%	0.701	S	S	*	*			trans	-62.7	101.4	174.5	-163	172.8	15.6	0	0	104.7	K595 V599	K595-Q597 PolarHBondContact O-N 3.17Å; Q597-V599 PolarHBondContact O-N 2.93Å
598	L	40.1	Very low	45.6	Very low	147 Å²	147	124.9 Å²	124.9	77%	0.77	68%	0.683	S	S	*	*			trans	-52	107.5	172.5	-85.8	148.6	0	0	0	106.4	P596 S600	P596-L598 VanDerWaalsContact C-N 3.31Å; P596-L598 PolarHBondContact O-N 3.11Å; L598-S600 PolarHBondContact O-N 3.23Å; L598-S600 PolarHBondContact O-OG 2.87Å
599	V	39.1	Very low	47.2	Very low	151 Å²	151	119.4 Å²	119.4	92%	0.915	67%	0.665	S	S	*	*			trans	-71	77.8	171.1	-176.1	0	0	0	0	105.6	Q597	Q597-V599 PolarHBondContact O-N 2.93Å
600	S	41.7	Very low	48.9	Very low	77 Å²	77	116.4 Å²	116.4	54%	0.538	65%	0.647	S	S	.	*			trans	-134.2	61.1	-170.8	60.7	0	0	0	0	110.9	L598	L598-S600 PolarHBondContact O-N 3.23Å; L598-S600 PolarHBondContact O-OG 2.87Å
601	D	45.4	Very low	50.1	Low	158 Å²	158	115.2 Å²	115.2	85%	0.845	63%	0.633	S	S	*	*			trans	-134.6	80	154.3	-77.1	-37.6	0	0	0	107.3	S603	D601-S603 PolarHBondContact O-N 3Å
602	V	58.1	Low	51.6	Low	103 Å²	103	116 Å²	116	62%	0.624	63%	0.633	S	S	*	*			trans	-63.3	110.7	165.4	177.6	0	0	0	0	105.9	E606 L607	V602-E606 HydrophobicContact CG1-CB 3.8Å; V602-L607 HydrophobicContact CG1-CB 4.17Å
603	S	62.8	Low	52.9	Low	54 Å²	54	117.5 Å²	117.5	38%	0.378	63%	0.629	S	S	.	*			trans	-61	150.2	-179	71.3	0	0	0	0	110	D601 N605 E606 L607	D601-S603 PolarHBondContact O-N 3Å; S603-N605 PolarHBondContact O-N 2.87Å; S603-E606 PolarHBondContact N-OE2 3.33Å; S603-E606 PolarHBondContact O-N 3.45Å; S603-E606 WeakPolarHBondContact OG-CG 3.1Å; S603-E606 PolarHBondContact OG-N 3.06Å; S603-L607 PolarHBondContact O-N 3.23Å
604	V	67.3	Low	53.6	Low	88 Å²	88	116.3 Å²	116.3	53%	0.533	62%	0.62	S	S	.	*	H	α-helix	trans	-54.1	-29.3	174.8	178.5	0	0	0	0	111.1	R359 A608	R359-V604 VanDerWaalsContact NH2-CG1 3.35Å; V604-A608 WeakPolarHBondContact O-CB 3.42Å; V604-A608 PolarHBondContact O-N 2.97Å
605	N	69.4	Low	54.4	Low	110 Å²	110	111.5 Å²	111.5	59%	0.588	60%	0.595	S	S	*	*	H	α-helix	trans	-72.7	-39	175.9	-76	29.3	0	0	0	112.7	S603 A608 S609	S603-N605 PolarHBondContact O-N 2.87Å; N605-A608 PolarHBondContact O-N 3Å; N605-S609 VanDerWaalsContact O-CB 3.29Å; N605-S609 WeakPolarHBondContact O-CB 3.13Å; N605-S609 PolarHBondContact O-N 3.27Å; N605-S609 PolarHBondContact O-OG 3.42Å
606	E	68.9	Low	55.4	Low	89 Å²	89	110.2 Å²	110.2	42%	0.416	59%	0.592	S	S	.	*	H	α-helix	trans	-68.1	-39.9	173.2	-78.5	-178.5	139.6	0	0	111.6	V602 S603 S609 Y610	V602-E606 HydrophobicContact CG1-CB 3.8Å; S603-E606 PolarHBondContact N-OE2 3.33Å; S603-E606 PolarHBondContact O-N 3.45Å; S603-E606 WeakPolarHBondContact OG-CG 3.1Å; S603-E606 PolarHBondContact OG-N 3.06Å; E606-S609 PolarHBondContact O-N 3.03Å; E606-Y610 VanDerWaalsContact O-CB 3.28Å; E606-Y610 WeakPolarHBondContact O-CB 3.2Å; E606-Y610 PolarHBondContact O-N 3.31Å
607	L	68.8	Low	56.3	Low	88 Å²	88	110.5 Å²	110.5	46%	0.461	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-43.3	174.1	-174.9	65.1	0	0	0	111.3	V602 S603 Y610 M611	V602-L607 HydrophobicContact CG1-CB 4.17Å; S603-L607 PolarHBondContact O-N 3.23Å; L607-Y610 PolarHBondContact O-N 3.03Å; L607-M611 HydrophobicContact CG-SD 4.36Å; L607-M611 WeakPolarHBondContact O-CB 3.47Å; L607-M611 VanDerWaalsContact O-CG 3.27Å; L607-M611 WeakPolarHBondContact O-CG 3.43Å; L607-M611 PolarHBondContact O-N 3.22Å
608	A	67.2	Low	57.3	Low	49 Å²	49	105.2 Å²	105.2	41%	0.405	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-43.3	176	0	0	0	0	0	111.5	V604 N605 M611 E612	V604-A608 WeakPolarHBondContact O-CB 3.42Å; V604-A608 PolarHBondContact O-N 2.97Å; N605-A608 PolarHBondContact O-N 3Å; A608-M611 PolarHBondContact O-N 3.46Å; A608-E612 WeakPolarHBondContact O-CB 3.44Å; A608-E612 PolarHBondContact O-N 3.48Å
609	S	65.9	Low	58.2	Low	58 Å²	58	102.3 Å²	102.3	41%	0.406	57%	0.573	S	S	.	*	H	α-helix	trans	-62	-46.1	175.2	-59.6	0	0	0	0	110.6	N605 E606 M611 E612 H613	N605-S609 VanDerWaalsContact O-CB 3.29Å; N605-S609 WeakPolarHBondContact O-CB 3.13Å; N605-S609 PolarHBondContact O-N 3.27Å; N605-S609 PolarHBondContact O-OG 3.42Å; E606-S609 PolarHBondContact O-N 3.03Å; S609-M611 VanDerWaalsContact C-N 3.33Å; S609-M611 PolarHBondContact O-N 3.13Å; S609-E612 PolarHBondContact O-N 3.29Å; S609-H613 PolarHBondContact O-N 3.23Å; S609-H613 PolarHBondContact O-ND1 3.45Å
610	Y	65.2	Low	58.8	Low	130 Å²	130	105.2 Å²	105.2	51%	0.51	57%	0.567	S	S	.	*	H	α-helix	trans	-59.8	-42.8	176.4	-177.9	-100.8	0	0	0	112.1	E606 L607 H613 M614	E606-Y610 VanDerWaalsContact O-CB 3.28Å; E606-Y610 WeakPolarHBondContact O-CB 3.2Å; E606-Y610 PolarHBondContact O-N 3.31Å; L607-Y610 PolarHBondContact O-N 3.03Å; Y610-H613 PolarHBondContact O-N 3.08Å; Y610-M614 HydrophobicContact CD1-CG 4.25Å; Y610-M614 HydrophobicContact CE1-CE 3.7Å; Y610-M614 HydrophobicContact CE1-CG 3.91Å; Y610-M614 HydrophobicContact CE1-SD 4.04Å; Y610-M614 HydrophobicContact CE2-CG 4.24Å; Y610-M614 HydrophobicContact CE2-SD 4.41Å; Y610-M614 WeakPolarHBondContact O-CB 3.48Å; Y610-M614 VanDerWaalsContact O-CG 3.24Å; Y610-M614 WeakPolarHBondContact O-CG 3.48Å; Y610-M614 PolarHBondContact O-N 2.83Å; Y610-M614 PolarHBondContact OH-SD 3.37Å
611	M	61.5	Low	60	Low	104 Å²	104	105.6 Å²	105.6	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-36.6	175.7	-71.7	-176.1	70.7	0	0	112.7	L607 A608 S609 H613 M614 V615	L607-M611 HydrophobicContact CG-SD 4.36Å; L607-M611 WeakPolarHBondContact O-CB 3.47Å; L607-M611 VanDerWaalsContact O-CG 3.27Å; L607-M611 WeakPolarHBondContact O-CG 3.43Å; L607-M611 PolarHBondContact O-N 3.22Å; A608-M611 PolarHBondContact O-N 3.46Å; S609-M611 VanDerWaalsContact C-N 3.33Å; S609-M611 PolarHBondContact O-N 3.13Å; M611-H613 VanDerWaalsContact C-N 3.29Å; M611-H613 PolarHBondContact O-N 2.88Å; M611-M614 PolarHBondContact O-N 3.24Å; M611-V615 VanDerWaalsContact O-CB 3.3Å; M611-V615 WeakPolarHBondContact O-CB 3.49Å; M611-V615 WeakPolarHBondContact O-CG2 3.49Å; M611-V615 PolarHBondContact O-N 2.85Å
612	E	61.4	Low	61.2	Low	145 Å²	145	101.4 Å²	101.4	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-67.6	-29.8	177	-166.1	172.6	-169	0	0	112.1	A608 S609	A608-E612 WeakPolarHBondContact O-CB 3.44Å; A608-E612 PolarHBondContact O-N 3.48Å; S609-E612 PolarHBondContact O-N 3.29Å
613	H	59.2	Low	61.8	Low	134 Å²	134	102.5 Å²	102.5	62%	0.62	54%	0.543	S	S	*	.	H	α-helix	trans	-84.7	-23.6	175.9	-68.6	72	0	0	0	113.4	S609 Y610 M611	S609-H613 PolarHBondContact O-N 3.23Å; S609-H613 PolarHBondContact O-ND1 3.45Å; Y610-H613 PolarHBondContact O-N 3.08Å; M611-H613 VanDerWaalsContact C-N 3.29Å; M611-H613 PolarHBondContact O-N 2.88Å
614	M	50.8	Low	62.2	Low	128 Å²	128	106.7 Å²	106.7	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-90.4	-35.8	178.7	-74.8	-110.1	-62	0	0	113	Y610 M611	Y610-M614 HydrophobicContact CD1-CG 4.25Å; Y610-M614 HydrophobicContact CE1-CE 3.7Å; Y610-M614 HydrophobicContact CE1-CG 3.91Å; Y610-M614 HydrophobicContact CE1-SD 4.04Å; Y610-M614 HydrophobicContact CE2-CG 4.24Å; Y610-M614 HydrophobicContact CE2-SD 4.41Å; Y610-M614 WeakPolarHBondContact O-CB 3.48Å; Y610-M614 VanDerWaalsContact O-CG 3.24Å; Y610-M614 WeakPolarHBondContact O-CG 3.48Å; Y610-M614 PolarHBondContact O-N 2.83Å; Y610-M614 PolarHBondContact OH-SD 3.37Å; M611-M614 PolarHBondContact O-N 3.24Å
615	V	51.5	Low	62.4	Low	38 Å²	38	103.9 Å²	103.9	23%	0.23	54%	0.544	C	S	.	.	S	Bend	trans	-96.2	101.5	177.8	-175.3	0	0	0	0	107.1	Y173 M611 I617	Y173-V615 WeakPolarHBondContact OH-CG1 3.16Å; M611-V615 VanDerWaalsContact O-CB 3.3Å; M611-V615 WeakPolarHBondContact O-CB 3.49Å; M611-V615 WeakPolarHBondContact O-CG2 3.49Å; M611-V615 PolarHBondContact O-N 2.85Å; V615-I617 HydrophobicContact CB-CG1 4.45Å; V615-I617 HydrophobicContact CG1-CG1 3.76Å; V615-I617 PolarHBondContact O-N 3.13Å
616	H	51.9	Low	62.5	Low	165 Å²	165	103.6 Å²	103.6	76%	0.764	54%	0.539	S	S	*	.			trans	-64.7	82.6	165.8	-178.5	-77.4	0	0	0	108.3	P618	H616-P618 WeakPolarHBondContact O-CD 3.42Å
617	I	52.7	Low	62.9	Low	123 Å²	123	107.5 Å²	107.5	63%	0.631	55%	0.55	S	S	*	*			trans	-69.6	109.7	163	-57.6	178.9	0	0	0	104.2	V615 G619	V615-I617 HydrophobicContact CB-CG1 4.45Å; V615-I617 HydrophobicContact CG1-CG1 3.76Å; V615-I617 PolarHBondContact O-N 3.13Å; I617-G619 PolarHBondContact O-N 3.05Å
618	P	54.3	Low	63.3	Low	70 Å²	70	109.9 Å²	109.9	46%	0.455	56%	0.561	S	S	.	*			trans	-59.3	115.3	176	-17.3	32.4	0	0	0	106.8	H616 R620	H616-P618 WeakPolarHBondContact O-CD 3.42Å; P618-R620 VanDerWaalsContact CB-O 3.28Å; P618-R620 WeakPolarHBondContact CB-O 3.44Å; P618-R620 CarbonylContact O-C 3.31Å; P618-R620 VanDerWaalsContact O-C 3.31Å; P618-R620 PolarHBondContact O-N 2.87Å
619	G	59.6	Low	63.6	Low	86 Å²	86	113.9 Å²	113.9	89%	0.887	57%	0.566	S	S	*	*	S	Bend	trans	-57.7	-8.4	176.8	0	0	0	0	0	113.4	I617	I617-G619 PolarHBondContact O-N 3.05Å
620	R	51.8	Low	63.7	Low	213 Å²	213	119.3 Å²	119.3	80%	0.804	59%	0.59	S	S	*	*	S	Bend	trans	-126.5	113.9	159.2	-65	-173.3	178.5	-172.5	-1	108.6	P618 S622	P618-R620 VanDerWaalsContact CB-O 3.28Å; P618-R620 WeakPolarHBondContact CB-O 3.44Å; P618-R620 CarbonylContact O-C 3.31Å; P618-R620 VanDerWaalsContact O-C 3.31Å; P618-R620 PolarHBondContact O-N 2.87Å; R620-S622 PolarHBondContact O-N 3Å
621	M	66.4	Low	63.6	Low	84 Å²	84	118.8 Å²	118.8	41%	0.414	59%	0.594	S	S	.	*			trans	-55.5	134.3	163.7	-174.4	165.8	42.4	0	0	108.1	A625 Q626	M621-A625 HydrophobicContact CG-CB 3.3Å; M621-A625 HydrophobicContact SD-CB 3.98Å; M621-Q626 HydrophobicContact CE-CB 3.71Å; M621-Q626 HydrophobicContact CE-CG 3.78Å; M621-Q626 HydrophobicContact CG-CB 4.31Å; M621-Q626 HydrophobicContact SD-CB 4.4Å
622	S	71.4	Confident	63.7	Low	71 Å²	71	119.5 Å²	119.5	50%	0.497	60%	0.598	S	S	.	*			trans	-57.8	148.5	174.6	68.7	0	0	0	0	109	R620 M624 A625 Q626	R620-S622 PolarHBondContact O-N 3Å; S622-M624 PolarHBondContact O-N 2.98Å; S622-M624 VanDerWaalsContact O-N 3.08Å; S622-A625 CarbonylContact O-C 3.58Å; S622-A625 WeakPolarHBondContact O-CA 3.33Å; S622-A625 PolarHBondContact O-N 3.45Å; S622-A625 WeakPolarHBondContact OG-CB 3.31Å; S622-A625 PolarHBondContact OG-N 2.83Å; S622-A625 VanDerWaalsContact OG-N 3.15Å; S622-Q626 PolarHBondContact O-N 2.96Å
623	E	69	Low	63.9	Low	125 Å²	125	118.1 Å²	118.1	58%	0.584	59%	0.594	S	S	*	*	H	α-helix	trans	-52.4	-36.2	178.6	-172.7	-173.5	179.8	0	0	111.5	Q626 R627	E623-Q626 PolarHBondContact O-N 3.01Å; E623-R627 WeakPolarHBondContact O-CB 2.91Å; E623-R627 VanDerWaalsContact O-CG 3.31Å; E623-R627 WeakPolarHBondContact O-CG 3.49Å; E623-R627 PolarHBondContact O-N 2.91Å; E623-R627 IonicContact OE1-CZ 3.31Å; E623-R627 VanDerWaalsContact OE1-CZ 3.31Å; E623-R627 IonicContact OE1-NE 3.48Å; E623-R627 PolarHBondContact OE1-NE 3.35Å; E623-R627 IonicContact OE1-NH2 2.63Å; E623-R627 PolarHBondContact OE1-NH2 2.97Å
624	M	72.5	Confident	64.2	Low	142 Å²	142	117.2 Å²	117.2	70%	0.7	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-45	174	179.2	169.6	-82.2	0	0	112.9	S622 Q626 R627 M628	S622-M624 PolarHBondContact O-N 2.98Å; S622-M624 VanDerWaalsContact O-N 3.08Å; M624-Q626 VanDerWaalsContact C-N 3.3Å; M624-Q626 PolarHBondContact O-N 2.95Å; M624-R627 PolarHBondContact O-N 3.28Å; M624-M628 HydrophobicContact CG-CE 4.39Å; M624-M628 PolarHBondContact O-N 3.01Å
625	A	70.5	Confident	65	Low	29 Å²	29	116.5 Å²	116.5	24%	0.24	59%	0.59	C	S	.	*	H	α-helix	trans	-67.1	-33.5	176	0	0	0	0	0	111.6	M621 S622 M628 Y629	M621-A625 HydrophobicContact CG-CB 3.3Å; M621-A625 HydrophobicContact SD-CB 3.98Å; S622-A625 CarbonylContact O-C 3.58Å; S622-A625 WeakPolarHBondContact O-CA 3.33Å; S622-A625 PolarHBondContact O-N 3.45Å; S622-A625 WeakPolarHBondContact OG-CB 3.31Å; S622-A625 PolarHBondContact OG-N 2.83Å; S622-A625 VanDerWaalsContact OG-N 3.15Å; A625-M628 PolarHBondContact O-N 3.11Å; A625-Y629 WeakPolarHBondContact O-CB 3.16Å; A625-Y629 PolarHBondContact O-N 3.09Å
626	Q	72.2	Confident	65.9	Low	104 Å²	104	121.7 Å²	121.7	49%	0.486	61%	0.614	S	S	.	*	H	α-helix	trans	-66.5	-39.7	174	-167.7	167.6	14.4	0	0	112	M621 S622 E623 M624 M628 Y629 L630	M621-Q626 HydrophobicContact CE-CB 3.71Å; M621-Q626 HydrophobicContact CE-CG 3.78Å; M621-Q626 HydrophobicContact CG-CB 4.31Å; M621-Q626 HydrophobicContact SD-CB 4.4Å; S622-Q626 PolarHBondContact O-N 2.96Å; E623-Q626 PolarHBondContact O-N 3.01Å; M624-Q626 VanDerWaalsContact C-N 3.3Å; M624-Q626 PolarHBondContact O-N 2.95Å; Q626-M628 VanDerWaalsContact C-N 3.32Å; Q626-Y629 PolarHBondContact O-N 3.06Å; Q626-L630 HydrophobicContact CG-CD1 4.46Å; Q626-L630 WeakPolarHBondContact O-CG 3.47Å; Q626-L630 PolarHBondContact O-N 3.4Å
627	R	76.6	Confident	66.9	Low	171 Å²	171	118.6 Å²	118.6	65%	0.645	60%	0.603	S	S	*	*	H	α-helix	trans	-71.9	-19.2	173.9	-72.3	179.9	-172.2	-179.6	1.2	114.6	E623 M624 L630	E623-R627 WeakPolarHBondContact O-CB 2.91Å; E623-R627 VanDerWaalsContact O-CG 3.31Å; E623-R627 WeakPolarHBondContact O-CG 3.49Å; E623-R627 PolarHBondContact O-N 2.91Å; E623-R627 IonicContact OE1-CZ 3.31Å; E623-R627 VanDerWaalsContact OE1-CZ 3.31Å; E623-R627 IonicContact OE1-NE 3.48Å; E623-R627 PolarHBondContact OE1-NE 3.35Å; E623-R627 IonicContact OE1-NH2 2.63Å; E623-R627 PolarHBondContact OE1-NH2 2.97Å; M624-R627 PolarHBondContact O-N 3.28Å; R627-L630 VanDerWaalsContact O-OXT 3.12Å
628	M	76.7	Confident	68	Low	139 Å²	139	118.3 Å²	118.3	69%	0.685	60%	0.601	S	S	*	*	H	α-helix	trans	-86.6	-25.8	171.6	-76.5	-169.4	-64.6	0	0	112.6	M624 A625 Q626	M624-M628 HydrophobicContact CG-CE 4.39Å; M624-M628 PolarHBondContact O-N 3.01Å; A625-M628 PolarHBondContact O-N 3.11Å; Q626-M628 VanDerWaalsContact C-N 3.32Å
629	Y	74.6	Confident	69.1	Low	132 Å²	132	122.3 Å²	122.3	52%	0.518	61%	0.613	S	S	.	*	H	α-helix	trans	-79.3	-41.4	177.8	178.4	-96.4	0	0	0	112.3	H377 A625 Q626	H377-Y629 AromaticContact CE1-CE1 3.87Å; A625-Y629 WeakPolarHBondContact O-CB 3.16Å; A625-Y629 PolarHBondContact O-N 3.09Å; Q626-Y629 PolarHBondContact O-N 3.06Å
630	L	68.2	Low	70	Confident	172 Å²	172	125.6 Å²	125.6	90%	0.901	59%	0.588	S	S	*	*			trans	-67.5	0	164.5	-66.6	171.5	0	0	0	109.9	Q626 R627	Q626-L630 HydrophobicContact CG-CD1 4.46Å; Q626-L630 WeakPolarHBondContact O-CG 3.47Å; Q626-L630 PolarHBondContact O-N 3.4Å; R627-L630 VanDerWaalsContact O-OXT 3.12Å

Retrieved 630 of 630 residues in 662.8 ms (Link to these results)

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