A0A3Q0KBI6_SCHMA Loading...

Putative homeobox protein

AlphaFold DB , UniProt , Accession A0A3Q0KBI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 764 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.6	Very low	34	Very low	241 Å²	241	156.7 Å²	156.7	100%	1.187	83%	0.833	S	S	*	*				0	121.4	0	-63	159.7	170.7	0	0	108.3
2	L	32.6	Very low	34.2	Very low	165 Å²	165	158.2 Å²	158.2	86%	0.864	83%	0.831	S	S	*	*			cis	-151.7	156.8	-34.5	-123.7	173.1	0	0	0	107.3
3	H	27.8	Very low	34.5	Very low	157 Å²	157	160 Å²	160	73%	0.727	84%	0.841	S	S	*	*			trans	-86.3	171.7	172.7	-173.7	-89.7	0	0	0	109.6
4	N	38.3	Very low	34.4	Very low	125 Å²	125	158.3 Å²	158.3	67%	0.668	83%	0.832	S	S	*	*			trans	81.6	152.3	-172.9	-44	-25.5	0	0	0	112.2
5	L	38.4	Very low	34.6	Very low	174 Å²	174	159 Å²	159	91%	0.911	84%	0.836	S	S	*	*			cis	-106.7	158.2	6.8	-81.3	72.5	0	0	0	113.7
6	S	34	Very low	34.5	Very low	105 Å²	105	154.5 Å²	154.5	73%	0.734	82%	0.822	S	S	*	*			trans	-130.5	165.7	160.5	-176.5	0	0	0	0	108
7	Q	34	Very low	34.7	Very low	184 Å²	184	157.4 Å²	157.4	86%	0.86	83%	0.826	S	S	*	*			trans	81.6	142.5	170.1	-55.9	178.8	-22.3	0	0	119.3
8	S	32.3	Very low	34.7	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	83%	0.828	S	S	*	*			trans	76.8	92	151.8	-152.5	0	0	0	0	120
9	Q	35.5	Very low	34.9	Very low	192 Å²	192	151.4 Å²	151.4	90%	0.897	83%	0.825	S	S	*	*				-147.9	119.1	114.9	-121.2	172.9	-0.3	0	0	111.2
10	T	30.6	Very low	34.8	Very low	118 Å²	118	151.4 Å²	151.4	72%	0.724	83%	0.825	S	S	*	*			trans	-123.6	129.6	166	48.1	0	0	0	0	107
11	D	35	Very low	34.7	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	82%	0.823	S	S	*	*			trans	-169.7	106.9	156.3	-82.4	-33.3	0	0	0	104.7
12	E	35.8	Very low	34.7	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	80%	0.804	S	S	*	*				73.4	92.1	83.4	-168.3	172.1	-120.7	0	0	114
13	L	39.1	Very low	34.5	Very low	182 Å²	182	147.8 Å²	147.8	95%	0.953	80%	0.802	S	S	*	*			trans	-145.8	101	149.2	-80.6	-174.2	0	0	0	109.2
14	D	32.5	Very low	34.8	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	81%	0.809	S	S	*	*			trans	-86.7	145.9	171.4	179.3	20.8	0	0	0	111	S16	D14-S16 PolarHBondContact OD1-N 3.28Å
15	L	37	Very low	34.2	Very low	169 Å²	169	149.6 Å²	149.6	89%	0.885	82%	0.817	S	S	*	*			trans	-160.5	75.1	162.7	-115.4	168	0	0	0	112.8
16	S	33.1	Very low	34	Very low	87 Å²	87	147.2 Å²	147.2	61%	0.608	81%	0.814	S	S	*	*			trans	-28.9	138.7	172.2	64.2	0	0	0	0	119.9	D14	D14-S16 PolarHBondContact OD1-N 3.28Å
17	K	39	Very low	33.8	Very low	204 Å²	204	147.7 Å²	147.7	89%	0.887	82%	0.818	S	S	*	*			trans	-170.9	84.8	144.6	-106.4	164.4	-174.7	172.3	0	109.3
18	S	34.3	Very low	33.8	Very low	125 Å²	125	145.1 Å²	145.1	87%	0.874	82%	0.82	S	S	*	*				65.9	108.7	80.2	-171.6	0	0	0	0	113.2
19	G	37.8	Very low	33.8	Very low	75 Å²	75	145.2 Å²	145.2	77%	0.773	82%	0.82	S	S	*	*			trans	171.6	29.9	-178.1	0	0	0	0	0	118.1
20	D	32.2	Very low	33.8	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	82%	0.819	S	S	*	*			trans	-64.6	160.4	168.7	-70.9	-71.3	0	0	0	112.4
21	I	34.6	Very low	33.9	Very low	155 Å²	155	145.3 Å²	145.3	80%	0.795	82%	0.824	S	S	*	*				170.1	112.5	121.5	-86.9	161.5	0	0	0	112
22	H	34.9	Very low	33.7	Very low	168 Å²	168	146.3 Å²	146.3	78%	0.778	83%	0.829	S	S	*	*			trans	45.7	128.1	140.7	-90.5	-102.8	0	0	0	124.4
23	L	28.3	Very low	33.6	Very low	159 Å²	159	143.9 Å²	143.9	83%	0.832	83%	0.831	S	S	*	*			trans	-39.5	144.1	139.3	-64.2	152.3	0	0	0	113.8
24	L	33.9	Very low	33.2	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	83%	0.825	S	S	*	*			trans	-165.6	138.7	132.7	-108.4	166.9	0	0	0	112.7
25	N	25.8	Very low	33.3	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	83%	0.827	S	S	*	*			trans	-86.4	141.7	165.8	-101.5	-19.9	0	0	0	109.4
26	S	34.3	Very low	33.2	Very low	124 Å²	124	137 Å²	137	87%	0.867	82%	0.822	S	S	*	*			trans	-163.1	143	150.1	-86.3	0	0	0	0	112.1
27	S	29.5	Very low	33.4	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	83%	0.826	S	S	*	*			trans	-95.2	154.9	-175.2	-50.2	0	0	0	0	112.6
28	S	34.7	Very low	33.2	Very low	129 Å²	129	133 Å²	133	90%	0.902	82%	0.821	S	S	*	*			trans	-157	153.3	149	-84.7	0	0	0	0	111.3
29	S	31.5	Very low	33.4	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	82%	0.815	S	S	*	*			trans	-115.8	-171.4	-162.5	-57.3	0	0	0	0	112.3
30	M	34.8	Very low	33.2	Very low	178 Å²	178	133.3 Å²	133.3	88%	0.877	81%	0.811	S	S	*	*			trans	86.4	140.3	171.1	-55.5	-173.3	165.6	0	0	115.2
31	T	33.6	Very low	33.4	Very low	134 Å²	134	131.6 Å²	131.6	82%	0.822	81%	0.811	S	S	*	*			cis	-147.5	165	0.3	-6.5	0	0	0	0	112.3
32	L	30.4	Very low	33.3	Very low	174 Å²	174	129.5 Å²	129.5	91%	0.911	81%	0.81	S	S	*	*			trans	-91.1	150.2	178.3	-68.1	162.6	0	0	0	112.9
33	S	33.3	Very low	33.3	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	82%	0.816	S	S	*	*			trans	-156.4	152.8	148	55.9	0	0	0	0	110.1
34	S	31.7	Very low	33.4	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	81%	0.812	S	S	*	*			trans	-149.9	142.7	-155.5	56.7	0	0	0	0	114.9
35	S	35.4	Very low	33.5	Very low	110 Å²	110	126 Å²	126	77%	0.769	81%	0.813	S	S	*	*			trans	-156.4	117.4	158.8	45.8	0	0	0	0	113.2
36	S	34.3	Very low	33.9	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	81%	0.814	S	S	*	*			trans	-0.7	154.7	134.5	59	0	0	0	0	119.1
37	S	36.6	Very low	33.7	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	82%	0.816	S	S	*	*			cis	-164.9	152.5	35.3	53.4	0	0	0	0	114.6
38	S	35.4	Very low	33.9	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	82%	0.818	S	S	*	*			trans	40.9	145.1	141.6	65.7	0	0	0	0	121.7
39	S	37.4	Very low	33.6	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	81%	0.812	S	S	*	*			cis	-158.3	169.3	29.2	54.5	0	0	0	0	114.6
40	S	34.9	Very low	33.9	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	82%	0.816	S	S	*	*			trans	-26.3	155.9	161.4	54.8	0	0	0	0	118
41	S	36.2	Very low	33.9	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	81%	0.811	S	S	*	*			cis	-150.2	161	45.2	-64.6	0	0	0	0	116.9
42	S	32.6	Very low	33.7	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	82%	0.815	S	S	*	*			trans	-93.8	156.4	-172	-39.3	0	0	0	0	114.7
43	S	34.8	Very low	33.9	Very low	130 Å²	130	128.1 Å²	128.1	91%	0.909	81%	0.808	S	S	*	*			trans	-162.3	141.4	134	-84.1	0	0	0	0	111
44	S	31.4	Very low	33.7	Very low	106 Å²	106	128 Å²	128	74%	0.741	81%	0.807	S	S	*	*			trans	-150.6	124.8	-168.8	56.7	0	0	0	0	112.9
45	M	35.7	Very low	34	Very low	183 Å²	183	128.9 Å²	128.9	90%	0.901	81%	0.808	S	S	*	*			trans	-147.4	119.5	153.4	-69	-161.8	174.3	0	0	106.6
46	L	33.4	Very low	33.7	Very low	161 Å²	161	129.4 Å²	129.4	84%	0.843	81%	0.812	S	S	*	*				75.4	127.1	64.4	-71.6	175.6	0	0	0	113.4
47	L	30.4	Very low	33.9	Very low	172 Å²	172	129.7 Å²	129.7	90%	0.901	81%	0.813	S	S	*	*			trans	-86.7	140	179.1	-54.9	92.2	0	0	0	110.8
48	T	34.2	Very low	33.7	Very low	139 Å²	139	130.4 Å²	130.4	85%	0.853	82%	0.819	S	S	*	*			trans	-140.9	141.5	160.2	46.6	0	0	0	0	110.5
49	S	27.1	Very low	33.7	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	82%	0.823	S	S	*	*			trans	-92.8	145.7	173.6	-54.1	0	0	0	0	110.3	T51	S49-T51 PolarHBondContact O-N 2.6Å
50	P	39.5	Very low	33.4	Very low	132 Å²	132	131.4 Å²	131.4	86%	0.857	83%	0.825	S	S	*	*			trans	-81.6	108	176.5	31.2	-32.4	0	0	0	111.6
51	T	32.9	Very low	33.3	Very low	126 Å²	126	132.6 Å²	132.6	77%	0.773	83%	0.834	S	S	*	*			trans	-83	139.4	167.7	-56.4	0	0	0	0	110.2	S49 I53	S49-T51 PolarHBondContact O-N 2.6Å; T51-I53 PolarHBondContact O-N 3.25Å
52	L	30.5	Very low	33	Very low	174 Å²	174	132 Å²	132	91%	0.911	83%	0.83	S	S	*	*			trans	-66.2	128.9	175.7	-64.9	169.8	0	0	0	111.3
53	I	35.6	Very low	32.8	Very low	151 Å²	151	132 Å²	132	77%	0.774	83%	0.829	S	S	*	*			trans	-131.6	125.4	166.3	-63.6	-178.8	0	0	0	108.6	T51	T51-I53 PolarHBondContact O-N 3.25Å
54	S	28.5	Very low	32.6	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	82%	0.824	S	S	*	*			trans	-94.2	132.1	175.2	54.2	0	0	0	0	111.2
55	T	36.6	Very low	32.5	Very low	139 Å²	139	133.2 Å²	133.2	85%	0.853	83%	0.832	S	S	*	*			trans	-127.2	137.7	165.7	49.8	0	0	0	0	110.5
56	S	30.9	Very low	32.1	Very low	121 Å²	121	129.3 Å²	129.3	85%	0.846	82%	0.823	S	S	*	*			trans	-106.9	133.4	-167.7	54.8	0	0	0	0	112.9
57	S	36.9	Very low	32.1	Very low	118 Å²	118	127.2 Å²	127.2	83%	0.825	82%	0.819	S	S	*	*			trans	-154.3	110.6	155.4	59	0	0	0	0	112.1
58	S	32.8	Very low	32.2	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	82%	0.817	S	S	*	*			trans	-32	135.8	169.5	51.2	0	0	0	0	117.4
59	S	35.3	Very low	32.1	Very low	124 Å²	124	124.6 Å²	124.6	87%	0.867	81%	0.813	S	S	*	*				-165.2	155.9	114.2	38.6	0	0	0	0	112.5
60	S	31.3	Very low	32.4	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	80%	0.804	S	S	*	*			trans	-65.6	136.8	-172.3	50	0	0	0	0	115.7
61	S	33	Very low	32.4	Very low	125 Å²	125	122 Å²	122	87%	0.874	79%	0.786	S	S	*	*				-172.7	168.6	114	41.3	0	0	0	0	112.1
62	S	30.6	Very low	32.4	Very low	105 Å²	105	122 Å²	122	73%	0.734	79%	0.785	S	S	*	*			trans	-86.3	153.5	-159.5	49.3	0	0	0	0	116.9
63	S	28.5	Very low	32.5	Very low	109 Å²	109	117.2 Å²	117.2	76%	0.762	77%	0.767	S	S	*	*			trans	93.1	151.3	144.4	80.3	0	0	0	0	121.1
64	S	29.6	Very low	32.7	Very low	114 Å²	114	111.8 Å²	111.8	80%	0.797	74%	0.742	S	S	*	*			trans	61.3	86.1	176.4	59.1	0	0	0	0	118.2	S66	S64-S66 PolarHBondContact O-N 2.97Å
65	T	28.7	Very low	33.1	Very low	148 Å²	148	109.7 Å²	109.7	91%	0.908	72%	0.721	S	S	*	*			trans	-76.3	109	160.3	47.5	0	0	0	0	110.6
66	S	28.1	Very low	33.2	Very low	102 Å²	102	108.2 Å²	108.2	71%	0.713	70%	0.704	S	S	*	*			trans	-90.7	137.9	169.1	-167.1	0	0	0	0	110.2	S64 T68	S64-S66 PolarHBondContact O-N 2.97Å; S66-T68 PolarHBondContact O-N 3.28Å
67	P	34.1	Very low	33.7	Very low	116 Å²	116	108 Å²	108	75%	0.753	69%	0.69	S	S	*	*			trans	-68.9	122.9	-178.6	27.5	-34.1	0	0	0	111.3	C69	P67-C69 PolarHBondContact O-N 3.46Å; P67-C69 VanDerWaalsContact O-N 3.07Å
68	T	31.4	Very low	33.8	Very low	140 Å²	140	106.9 Å²	106.9	86%	0.859	67%	0.674	S	S	*	*			trans	-62.8	109.2	178.9	-41.7	0	0	0	0	110.5	S66 L70	S66-T68 PolarHBondContact O-N 3.28Å; T68-L70 PolarHBondContact O-N 3.12Å
69	C	32.3	Very low	34.2	Very low	116 Å²	116	109.3 Å²	109.3	78%	0.784	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-69.1	131.6	178.2	58.1	0	0	0	0	110.9	P67	P67-C69 PolarHBondContact O-N 3.46Å; P67-C69 VanDerWaalsContact O-N 3.07Å
70	L	32.5	Very low	34.7	Very low	111 Å²	111	109 Å²	109	58%	0.581	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-69.9	137.3	169	-68	175.9	0	0	0	109.1	T68 I75 I78	T68-L70 PolarHBondContact O-N 3.12Å; L70-I75 HydrophobicContact CB-CD1 4.23Å; L70-I75 HydrophobicContact CB-CG1 3.92Å; L70-I78 HydrophobicContact CD1-CD1 4.41Å
71	T	40.3	Very low	35.1	Very low	79 Å²	79	106.9 Å²	106.9	49%	0.485	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-64.6	152.7	176.5	77.4	0	0	0	0	110.7	S73 S74 I75	T71-S73 PolarHBondContact O-N 3.18Å; T71-S74 WeakPolarHBondContact O-CB 3Å; T71-S74 PolarHBondContact O-N 2.63Å; T71-S74 PolarHBondContact OG1-N 2.87Å; T71-S74 PolarHBondContact OG1-OG 3.1Å; T71-I75 PolarHBondContact O-N 2.87Å
72	V	33.9	Very low	35.4	Very low	124 Å²	124	108.8 Å²	108.8	75%	0.752	62%	0.624	S	S	*	*	H	α-helix	trans	-56.3	-36.5	177.3	-179.8	0	0	0	0	111.2	I75 H76	V72-I75 PolarHBondContact O-N 3.07Å; V72-H76 WeakPolarHBondContact O-CB 3.47Å; V72-H76 PolarHBondContact O-N 3.4Å
73	S	32.3	Very low	35.9	Very low	75 Å²	75	106.9 Å²	106.9	52%	0.524	61%	0.611	S	S	.	*	H	α-helix	trans	-60	-49.7	173.4	-50.9	0	0	0	0	112.1	T71 I75 H76 E77	T71-S73 PolarHBondContact O-N 3.18Å; S73-I75 VanDerWaalsContact C-N 3.31Å; S73-I75 PolarHBondContact O-N 3.02Å; S73-H76 WeakPolarHBondContact O-CB 3.48Å; S73-H76 PolarHBondContact O-N 3.17Å; S73-H76 VanDerWaalsContact O-N 3.14Å; S73-E77 WeakPolarHBondContact O-CG 3.49Å; S73-E77 PolarHBondContact O-N 3.05Å
74	S	38.7	Very low	36.5	Very low	37 Å²	37	109 Å²	109	26%	0.259	61%	0.607	S	S	.	*	H	α-helix	trans	-61.1	-38.9	178.7	-49.5	0	0	0	0	112.2	T71 I78	T71-S74 WeakPolarHBondContact O-CB 3Å; T71-S74 PolarHBondContact O-N 2.63Å; T71-S74 PolarHBondContact OG1-N 2.87Å; T71-S74 PolarHBondContact OG1-OG 3.1Å; S74-I78 WeakPolarHBondContact O-CD1 3.39Å; S74-I78 VanDerWaalsContact O-CG1 3.24Å; S74-I78 WeakPolarHBondContact O-CG1 3.24Å; S74-I78 PolarHBondContact O-N 3.16Å; S74-I78 VanDerWaalsContact O-N 3.07Å
75	I	37.4	Very low	37	Very low	74 Å²	74	109 Å²	109	38%	0.379	60%	0.595	S	S	.	*	H	α-helix	trans	-65.5	-44.3	175.6	-65	170.3	0	0	0	110.4	L70 T71 V72 S73 I78 Y79	L70-I75 HydrophobicContact CB-CD1 4.23Å; L70-I75 HydrophobicContact CB-CG1 3.92Å; T71-I75 PolarHBondContact O-N 2.87Å; V72-I75 PolarHBondContact O-N 3.07Å; S73-I75 VanDerWaalsContact C-N 3.31Å; S73-I75 PolarHBondContact O-N 3.02Å; I75-I78 PolarHBondContact O-N 3.03Å; I75-Y79 HydrophobicContact CG2-CD2 3.88Å; I75-Y79 HydrophobicContact CG2-CE2 3.87Å; I75-Y79 VanDerWaalsContact O-CD2 3.31Å; I75-Y79 WeakPolarHBondContact O-CD2 3.49Å; I75-Y79 PolarHBondContact O-N 3.19Å
76	H	38.5	Very low	37.5	Very low	107 Å²	107	105.9 Å²	105.9	50%	0.495	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-41.2	177.9	178.4	-116.2	0	0	0	112.5	V72 S73 Y79 Q80	V72-H76 WeakPolarHBondContact O-CB 3.47Å; V72-H76 PolarHBondContact O-N 3.4Å; S73-H76 WeakPolarHBondContact O-CB 3.48Å; S73-H76 PolarHBondContact O-N 3.17Å; S73-H76 VanDerWaalsContact O-N 3.14Å; H76-Y79 PolarHBondContact O-N 3.18Å; H76-Q80 PolarHBondContact CE1-NE2 3.27Å; H76-Q80 PolarHBondContact NE2-NE2 3.42Å; H76-Q80 WeakPolarHBondContact O-CG 3.35Å; H76-Q80 PolarHBondContact O-N 3.16Å
77	E	41.6	Very low	38.1	Very low	118 Å²	118	104.8 Å²	104.8	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-62.1	-41	174.2	-74.1	168.2	-179.2	0	0	112.4	S73 Q80 S81	S73-E77 WeakPolarHBondContact O-CG 3.49Å; S73-E77 PolarHBondContact O-N 3.05Å; E77-Q80 PolarHBondContact O-N 3.39Å; E77-S81 VanDerWaalsContact O-CB 3.3Å; E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 2.83Å; E77-S81 PolarHBondContact O-OG 3.46Å
78	I	39.9	Very low	38.5	Very low	94 Å²	94	102.3 Å²	102.3	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-43.5	173.8	-70.4	164.2	0	0	0	110.6	L70 S74 I75 S81 R82	L70-I78 HydrophobicContact CD1-CD1 4.41Å; S74-I78 WeakPolarHBondContact O-CD1 3.39Å; S74-I78 VanDerWaalsContact O-CG1 3.24Å; S74-I78 WeakPolarHBondContact O-CG1 3.24Å; S74-I78 PolarHBondContact O-N 3.16Å; S74-I78 VanDerWaalsContact O-N 3.07Å; I75-I78 PolarHBondContact O-N 3.03Å; I78-S81 PolarHBondContact O-N 3.48Å; I78-R82 VanDerWaalsContact O-CB 3.27Å; I78-R82 WeakPolarHBondContact O-CB 3.32Å; I78-R82 PolarHBondContact O-N 3.43Å
79	Y	41.2	Very low	39	Very low	166 Å²	166	101 Å²	101	65%	0.651	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-41.7	176.4	-88.1	-71.2	0	0	0	113	I75 H76 S83	I75-Y79 HydrophobicContact CG2-CD2 3.88Å; I75-Y79 HydrophobicContact CG2-CE2 3.87Å; I75-Y79 VanDerWaalsContact O-CD2 3.31Å; I75-Y79 WeakPolarHBondContact O-CD2 3.49Å; I75-Y79 PolarHBondContact O-N 3.19Å; H76-Y79 PolarHBondContact O-N 3.18Å; Y79-S83 VanDerWaalsContact O-CB 3.28Å; Y79-S83 WeakPolarHBondContact O-CB 3.43Å; Y79-S83 PolarHBondContact O-N 3.38Å
80	Q	44.4	Very low	39.4	Very low	117 Å²	117	98.4 Å²	98.4	55%	0.547	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-45.8	174.8	-72.1	-162.1	1.4	0	0	111.7	H76 E77 R82 S83 F84	H76-Q80 PolarHBondContact CE1-NE2 3.27Å; H76-Q80 PolarHBondContact NE2-NE2 3.42Å; H76-Q80 WeakPolarHBondContact O-CG 3.35Å; H76-Q80 PolarHBondContact O-N 3.16Å; E77-Q80 PolarHBondContact O-N 3.39Å; Q80-R82 PolarHBondContact O-N 2.94Å; Q80-S83 PolarHBondContact O-N 3.29Å; Q80-F84 PolarHBondContact O-N 3.08Å
81	S	39.4	Very low	40.2	Very low	67 Å²	67	96.4 Å²	96.4	47%	0.469	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-43.6	178.6	-57.6	0	0	0	0	111.8	E77 I78 F84 M85	E77-S81 VanDerWaalsContact O-CB 3.3Å; E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 2.83Å; E77-S81 PolarHBondContact O-OG 3.46Å; I78-S81 PolarHBondContact O-N 3.48Å; S81-F84 PolarHBondContact O-N 3.47Å; S81-M85 PolarHBondContact O-N 3.44Å; S81-M85 VanDerWaalsContact O-N 3.08Å
82	R	40.7	Very low	40.5	Very low	165 Å²	165	100.3 Å²	100.3	62%	0.623	50%	0.499	S	S	*	.	H	α-helix	trans	-67.5	-39.2	177.3	-167.2	170.8	-176.8	167.7	0.3	112.1	I78 Q80 I86	I78-R82 VanDerWaalsContact O-CB 3.27Å; I78-R82 WeakPolarHBondContact O-CB 3.32Å; I78-R82 PolarHBondContact O-N 3.43Å; Q80-R82 PolarHBondContact O-N 2.94Å; R82-I86 HydrophobicContact CG-CD1 4.21Å; R82-I86 WeakPolarHBondContact O-CD1 3.47Å; R82-I86 VanDerWaalsContact O-CG1 3.29Å; R82-I86 WeakPolarHBondContact O-CG1 3.2Å; R82-I86 PolarHBondContact O-N 3.35Å; R82-I86 VanDerWaalsContact O-N 3.08Å
83	S	39.3	Very low	40.6	Very low	65 Å²	65	97.5 Å²	97.5	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-43.9	173.4	-174.4	0	0	0	0	111.9	Y79 Q80 I86 N87	Y79-S83 VanDerWaalsContact O-CB 3.28Å; Y79-S83 WeakPolarHBondContact O-CB 3.43Å; Y79-S83 PolarHBondContact O-N 3.38Å; Q80-S83 PolarHBondContact O-N 3.29Å; S83-I86 PolarHBondContact O-N 3.2Å; S83-N87 PolarHBondContact O-N 3.27Å; S83-N87 PolarHBondContact O-ND2 2.9Å
84	F	42.4	Very low	41.1	Very low	155 Å²	155	98.1 Å²	98.1	68%	0.68	48%	0.483	S	S	*	.	H	α-helix	trans	-61.6	-46.3	177.8	-171.4	-90.8	0	0	0	112	Q80 S81 I86 N87 D88	Q80-F84 PolarHBondContact O-N 3.08Å; S81-F84 PolarHBondContact O-N 3.47Å; F84-I86 PolarHBondContact O-N 3.34Å; F84-N87 PolarHBondContact O-N 3.43Å; F84-D88 PolarHBondContact O-N 2.89Å
85	M	40	Very low	41.5	Very low	112 Å²	112	101.1 Å²	101.1	55%	0.552	49%	0.492	S	S	*	.	H	α-helix	trans	-61.7	-40.9	176.6	-72.7	-174.1	-73.7	0	0	112.9	S81 N87 D88 I89	S81-M85 PolarHBondContact O-N 3.44Å; S81-M85 VanDerWaalsContact O-N 3.08Å; M85-N87 PolarHBondContact O-N 2.79Å; M85-D88 PolarHBondContact O-N 3.32Å; M85-I89 WeakPolarHBondContact O-CB 3.5Å; M85-I89 WeakPolarHBondContact O-CD1 3.44Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.44Å; M85-I89 PolarHBondContact O-N 3.34Å
86	I	40	Very low	42	Very low	83 Å²	83	102 Å²	102	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-42.5	176.5	-70.1	165	0	0	0	110.9	R82 S83 F84 I89 L90	R82-I86 HydrophobicContact CG-CD1 4.21Å; R82-I86 WeakPolarHBondContact O-CD1 3.47Å; R82-I86 VanDerWaalsContact O-CG1 3.29Å; R82-I86 WeakPolarHBondContact O-CG1 3.2Å; R82-I86 PolarHBondContact O-N 3.35Å; R82-I86 VanDerWaalsContact O-N 3.08Å; S83-I86 PolarHBondContact O-N 3.2Å; F84-I86 PolarHBondContact O-N 3.34Å; I86-I89 PolarHBondContact O-N 3.26Å; I86-L90 HydrophobicContact CG2-CD1 3.91Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CB 3.41Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.49Å; I86-L90 PolarHBondContact O-N 2.78Å
87	N	38.8	Very low	42.2	Very low	79 Å²	79	100.6 Å²	100.6	42%	0.422	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-40.9	177.7	-77.9	-85.2	0	0	0	112.5	S83 F84 M85 L90 D91	S83-N87 PolarHBondContact O-N 3.27Å; S83-N87 PolarHBondContact O-ND2 2.9Å; F84-N87 PolarHBondContact O-N 3.43Å; M85-N87 PolarHBondContact O-N 2.79Å; N87-L90 PolarHBondContact O-N 3.3Å; N87-D91 PolarHBondContact O-N 2.82Å
88	D	43.5	Very low	42.3	Very low	64 Å²	64	101.8 Å²	101.8	34%	0.342	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-36.6	176.7	-170.2	60.8	0	0	0	112.1	F84 M85 R92	F84-D88 PolarHBondContact O-N 2.89Å; M85-D88 PolarHBondContact O-N 3.32Å; D88-R92 VanDerWaalsContact O-CB 3.3Å; D88-R92 WeakPolarHBondContact O-CB 3.44Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.25Å; D88-R92 IonicContact OD1-NE 2.64Å; D88-R92 IonicContact OD2-CZ 3.25Å; D88-R92 IonicContact OD2-NE 3.24Å; D88-R92 PolarHBondContact OD2-NE 3.16Å; D88-R92 IonicContact OD2-NH2 2.78Å; D88-R92 PolarHBondContact OD2-NH2 3.25Å
89	I	42.5	Very low	42.4	Very low	112 Å²	112	100.8 Å²	100.8	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-64.7	-43.5	172.4	-69.1	164.8	0	0	0	111.1	M85 I86 R92 S93	M85-I89 WeakPolarHBondContact O-CB 3.5Å; M85-I89 WeakPolarHBondContact O-CD1 3.44Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.44Å; M85-I89 PolarHBondContact O-N 3.34Å; I86-I89 PolarHBondContact O-N 3.26Å; I89-R92 PolarHBondContact O-N 3.48Å; I89-S93 WeakPolarHBondContact O-CB 3.37Å; I89-S93 PolarHBondContact O-N 3.49Å
90	L	40.1	Very low	42.6	Very low	62 Å²	62	96 Å²	96	33%	0.325	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-44.8	178.5	-73.7	170.5	0	0	0	112.4	I86 N87 S93 N94 L448	I86-L90 HydrophobicContact CG2-CD1 3.91Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CB 3.41Å; I86-L90 VanDerWaalsContact O-CG 3.31Å; I86-L90 WeakPolarHBondContact O-CG 3.49Å; I86-L90 PolarHBondContact O-N 2.78Å; N87-L90 PolarHBondContact O-N 3.3Å; L90-S93 PolarHBondContact O-N 3.38Å; L90-N94 WeakPolarHBondContact O-CB 3.42Å; L90-N94 PolarHBondContact O-N 3.02Å; L90-N94 PolarHBondContact O-ND2 3.44Å; L90-L448 HydrophobicContact CD1-CD2 4.36Å
91	D	48.5	Very low	42.6	Very low	70 Å²	70	95.3 Å²	95.3	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-33.5	176.5	-82.8	-21.3	0	0	0	111.6	N87 Q95 R440	N87-D91 PolarHBondContact O-N 2.82Å; D91-Q95 VanDerWaalsContact O-CB 3.24Å; D91-Q95 WeakPolarHBondContact O-CB 3.43Å; D91-Q95 PolarHBondContact O-N 2.94Å; D91-R440 IonicContact OD1-CZ 2.69Å; D91-R440 IonicContact OD1-NH1 2.69Å; D91-R440 PolarHBondContact OD1-NH1 2.96Å; D91-R440 IonicContact OD1-NH2 3.66Å; D91-R440 PolarHBondContact OD1-NH2 3.14Å; D91-R440 IonicContact OD2-NH1 3.14Å
92	R	47.2	Very low	42.9	Very low	161 Å²	161	95.4 Å²	95.4	61%	0.608	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-41.2	168.8	-74.6	175.1	-162.6	-143.1	12.5	112.9	D88 I89 Q95 T96	D88-R92 VanDerWaalsContact O-CB 3.3Å; D88-R92 WeakPolarHBondContact O-CB 3.44Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.25Å; D88-R92 IonicContact OD1-NE 2.64Å; D88-R92 IonicContact OD2-CZ 3.25Å; D88-R92 IonicContact OD2-NE 3.24Å; D88-R92 PolarHBondContact OD2-NE 3.16Å; D88-R92 IonicContact OD2-NH2 2.78Å; D88-R92 PolarHBondContact OD2-NH2 3.25Å; I89-R92 PolarHBondContact O-N 3.48Å; R92-Q95 PolarHBondContact O-N 3.32Å; R92-T96 WeakPolarHBondContact O-CB 3.24Å; R92-T96 PolarHBondContact O-N 3.36Å; R92-T96 PolarHBondContact O-OG1 3.01Å
93	S	36.9	Very low	43.1	Very low	65 Å²	65	93.6 Å²	93.6	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-51.4	176.1	-175.5	0	0	0	0	110.5	I89 L90 Q95 T96 T97	I89-S93 WeakPolarHBondContact O-CB 3.37Å; I89-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-N 3.38Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.46Å; S93-T96 WeakPolarHBondContact O-CB 3.5Å; S93-T96 PolarHBondContact O-N 3.06Å; S93-T96 VanDerWaalsContact O-N 3.07Å; S93-T97 PolarHBondContact O-N 2.99Å; S93-T97 PolarHBondContact O-OG1 3.44Å
94	N	41	Very low	43.4	Very low	87 Å²	87	96.6 Å²	96.6	47%	0.465	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-42	175.8	-73.4	-49	0	0	0	112.5	L90 T96 T97 Y98	L90-N94 WeakPolarHBondContact O-CB 3.42Å; L90-N94 PolarHBondContact O-N 3.02Å; L90-N94 PolarHBondContact O-ND2 3.44Å; N94-T96 VanDerWaalsContact C-N 3.34Å; N94-T97 PolarHBondContact O-N 3.36Å; N94-Y98 VanDerWaalsContact O-CB 3.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.48Å; N94-Y98 PolarHBondContact O-N 3.41Å
95	Q	48.9	Very low	43.2	Very low	100 Å²	100	94.8 Å²	94.8	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-35	176.3	-168.1	66.5	66	0	0	112	D91 R92 S93 N99	D91-Q95 VanDerWaalsContact O-CB 3.24Å; D91-Q95 WeakPolarHBondContact O-CB 3.43Å; D91-Q95 PolarHBondContact O-N 2.94Å; R92-Q95 PolarHBondContact O-N 3.32Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.46Å; Q95-N99 PolarHBondContact NE2-OD1 3.16Å; Q95-N99 VanDerWaalsContact O-CB 3.24Å; Q95-N99 WeakPolarHBondContact O-CB 3.34Å; Q95-N99 PolarHBondContact O-N 3.08Å; Q95-N99 PolarHBondContact O-ND2 2.94Å; Q95-N99 PolarHBondContact O-OD1 3.1Å
96	T	46.6	Very low	43	Very low	94 Å²	94	97.2 Å²	97.2	58%	0.577	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-44.9	175.5	-55.8	0	0	0	0	110.8	R92 S93 N94 N99 S100	R92-T96 WeakPolarHBondContact O-CB 3.24Å; R92-T96 PolarHBondContact O-N 3.36Å; R92-T96 PolarHBondContact O-OG1 3.01Å; S93-T96 WeakPolarHBondContact O-CB 3.5Å; S93-T96 PolarHBondContact O-N 3.06Å; S93-T96 VanDerWaalsContact O-N 3.07Å; N94-T96 VanDerWaalsContact C-N 3.34Å; T96-N99 PolarHBondContact O-N 3.45Å; T96-S100 WeakPolarHBondContact O-CB 3.37Å; T96-S100 PolarHBondContact O-N 3.43Å
97	T	42.8	Very low	43	Very low	76 Å²	76	99.3 Å²	99.3	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-47.3	174.4	-56.9	0	0	0	0	111.5	S93 N94 S100 I101	S93-T97 PolarHBondContact O-N 2.99Å; S93-T97 PolarHBondContact O-OG1 3.44Å; N94-T97 PolarHBondContact O-N 3.36Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.49Å; T97-I101 HydrophobicContact CG2-CD1 3.95Å; T97-I101 WeakPolarHBondContact O-CG1 3.33Å; T97-I101 PolarHBondContact O-N 3.1Å
98	Y	43.9	Very low	42.9	Very low	144 Å²	144	104 Å²	104	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-59.3	-48.3	175.8	-179.8	-93.9	0	0	0	111.8	N94 S100 I101 V102	N94-Y98 VanDerWaalsContact O-CB 3.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.48Å; N94-Y98 PolarHBondContact O-N 3.41Å; Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.37Å; Y98-I101 PolarHBondContact O-N 3.04Å; Y98-V102 HydrophobicContact CD1-CG2 4.13Å; Y98-V102 HydrophobicContact CD2-CG2 4.48Å; Y98-V102 HydrophobicContact CE1-CG2 3.75Å; Y98-V102 HydrophobicContact CE2-CG2 4.14Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CB 3.47Å; Y98-V102 WeakPolarHBondContact O-CG2 3.44Å; Y98-V102 PolarHBondContact O-N 3.42Å
99	N	42.3	Very low	42.7	Very low	73 Å²	73	108.4 Å²	108.4	39%	0.39	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-36.2	177.5	-68.4	-1.9	0	0	0	111.7	Q95 T96 N103	Q95-N99 PolarHBondContact NE2-OD1 3.16Å; Q95-N99 VanDerWaalsContact O-CB 3.24Å; Q95-N99 WeakPolarHBondContact O-CB 3.34Å; Q95-N99 PolarHBondContact O-N 3.08Å; Q95-N99 PolarHBondContact O-ND2 2.94Å; Q95-N99 PolarHBondContact O-OD1 3.1Å; T96-N99 PolarHBondContact O-N 3.45Å; N99-N103 WeakPolarHBondContact O-CB 3.5Å; N99-N103 PolarHBondContact O-N 3.47Å; N99-N103 PolarHBondContact O-ND2 3.49Å
100	S	45.3	Very low	42.5	Very low	65 Å²	65	109.4 Å²	109.4	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-66.7	-42.7	175.8	-165.2	0	0	0	0	112	T96 T97 Y98 N104	T96-S100 WeakPolarHBondContact O-CB 3.37Å; T96-S100 PolarHBondContact O-N 3.43Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.49Å; Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.37Å; S100-N104 PolarHBondContact O-N 3.38Å; S100-N104 PolarHBondContact O-ND2 3.36Å
101	I	43.5	Very low	42.2	Very low	103 Å²	103	109.3 Å²	109.3	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-66.2	-42.9	176.3	-67.3	166.4	0	0	0	110.9	T97 Y98 N105	T97-I101 HydrophobicContact CG2-CD1 3.95Å; T97-I101 WeakPolarHBondContact O-CG1 3.33Å; T97-I101 PolarHBondContact O-N 3.1Å; Y98-I101 PolarHBondContact O-N 3.04Å; I101-N105 PolarHBondContact O-N 3.05Å; I101-N105 PolarHBondContact O-ND2 3.36Å
102	V	46.4	Very low	41.4	Very low	69 Å²	69	116.4 Å²	116.4	42%	0.418	59%	0.59	S	S	.	*	H	α-helix	trans	-69.3	-39.7	179.8	170.5	0	0	0	0	112.1	Y98 N104 N105	Y98-V102 HydrophobicContact CD1-CG2 4.13Å; Y98-V102 HydrophobicContact CD2-CG2 4.48Å; Y98-V102 HydrophobicContact CE1-CG2 3.75Å; Y98-V102 HydrophobicContact CE2-CG2 4.14Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CB 3.47Å; Y98-V102 WeakPolarHBondContact O-CG2 3.44Å; Y98-V102 PolarHBondContact O-N 3.42Å; V102-N104 VanDerWaalsContact C-N 3.32Å; V102-N104 PolarHBondContact O-N 3.48Å; V102-N105 PolarHBondContact O-N 3.09Å
103	N	45.9	Very low	40.9	Very low	126 Å²	126	116.9 Å²	116.9	67%	0.674	60%	0.597	S	S	*	*	H	α-helix	trans	-72.2	-23.1	-179.3	-71.5	-12.6	0	0	0	113.5	N99	N99-N103 WeakPolarHBondContact O-CB 3.5Å; N99-N103 PolarHBondContact O-N 3.47Å; N99-N103 PolarHBondContact O-ND2 3.49Å
104	N	44.7	Very low	40.9	Very low	129 Å²	129	118.9 Å²	118.9	69%	0.69	60%	0.601	S	S	*	*	H	α-helix	trans	-88.1	-10	175.6	-75.2	-68.2	0	0	0	114	S100 V102	S100-N104 PolarHBondContact O-N 3.38Å; S100-N104 PolarHBondContact O-ND2 3.36Å; V102-N104 VanDerWaalsContact C-N 3.32Å; V102-N104 PolarHBondContact O-N 3.48Å
105	N	38	Very low	40.5	Very low	117 Å²	117	121.4 Å²	121.4	63%	0.626	61%	0.605	S	S	*	*			trans	-111	65.2	-178.9	-75.5	-77.6	0	0	0	111.6	I101 V102 E107	I101-N105 PolarHBondContact O-N 3.05Å; I101-N105 PolarHBondContact O-ND2 3.36Å; V102-N105 PolarHBondContact O-N 3.09Å; N105-E107 PolarHBondContact O-N 3.37Å
106	H	36.1	Very low	39.7	Very low	163 Å²	163	121.5 Å²	121.5	76%	0.755	61%	0.609	S	S	*	*			trans	-83.4	46.2	-179.5	-145.2	60.8	0	0	0	113.9
107	E	39.9	Very low	39.2	Very low	126 Å²	126	122.3 Å²	122.3	59%	0.589	61%	0.606	S	S	*	*			trans	-123.6	90.1	177.9	-161.5	179.9	-135.9	0	0	110.1	N105 D109 K110	N105-E107 PolarHBondContact O-N 3.37Å; E107-D109 PolarHBondContact O-N 3.35Å; E107-K110 IonicContact OE1-NZ 3.03Å; E107-K110 VanDerWaalsContact OE2-CE 3.24Å; E107-K110 WeakPolarHBondContact OE2-CE 3.39Å; E107-K110 IonicContact OE2-NZ 3.85Å; E107-K110 PolarHBondContact OE2-NZ 3.5Å
108	K	36.1	Very low	38.7	Very low	177 Å²	177	124.6 Å²	124.6	77%	0.77	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	78.4	-173.6	-64.8	177.1	-176	169.2	0	112.1
109	D	40.3	Very low	38.4	Very low	157 Å²	157	122.4 Å²	122.4	84%	0.84	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.7	-19.5	155.9	-97.6	-33	0	0	0	114.6	E107 G111	E107-D109 PolarHBondContact O-N 3.35Å; D109-G111 PolarHBondContact O-N 3.29Å
110	K	38.5	Very low	37.9	Very low	133 Å²	133	123 Å²	123	58%	0.578	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-76.6	-1.9	-175.1	-67.6	169.4	-179.1	167.6	0	115.1	E107 Y112 K113	E107-K110 IonicContact OE1-NZ 3.03Å; E107-K110 VanDerWaalsContact OE2-CE 3.24Å; E107-K110 WeakPolarHBondContact OE2-CE 3.39Å; E107-K110 IonicContact OE2-NZ 3.85Å; E107-K110 PolarHBondContact OE2-NZ 3.5Å; K110-Y112 VanDerWaalsContact C-N 3.27Å; K110-Y112 PolarHBondContact O-N 2.84Å; K110-Y112 VanDerWaalsContact O-N 3.12Å; K110-K113 PolarHBondContact O-N 3.34Å; K110-K113 VanDerWaalsContact O-N 3.16Å
111	G	32.5	Very low	37.5	Very low	60 Å²	60	123.8 Å²	123.8	62%	0.619	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-63.6	-18.7	-169	0	0	0	0	0	116.8	D109	D109-G111 PolarHBondContact O-N 3.29Å
112	Y	32.7	Very low	37.2	Very low	220 Å²	220	121.4 Å²	121.4	86%	0.863	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-91.9	-13.2	177.4	-80	-80.3	0	0	0	114.5	K110	K110-Y112 VanDerWaalsContact C-N 3.27Å; K110-Y112 PolarHBondContact O-N 2.84Å; K110-Y112 VanDerWaalsContact O-N 3.12Å
113	K	36.9	Very low	36.7	Very low	171 Å²	171	123.4 Å²	123.4	74%	0.743	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-42	177	-105.9	-171.6	172	-170	0	112.9	K110 Y115 N116 E117	K110-K113 PolarHBondContact O-N 3.34Å; K110-K113 VanDerWaalsContact O-N 3.16Å; K113-Y115 PolarHBondContact O-N 3.17Å; K113-N116 PolarHBondContact O-N 3.49Å; K113-N116 VanDerWaalsContact O-N 3.17Å; K113-E117 PolarHBondContact O-N 2.98Å
114	L	36.7	Very low	36.1	Very low	106 Å²	106	118.3 Å²	118.3	56%	0.555	57%	0.574	S	S	*	*	H	α-helix	trans	-59.1	-19.4	-178.9	-82.4	162	0	0	0	114.5	E117 Q118	L114-E117 WeakPolarHBondContact CD2-OE2 3.31Å; L114-Q118 VanDerWaalsContact O-CB 3.32Å; L114-Q118 WeakPolarHBondContact O-CB 3.43Å; L114-Q118 PolarHBondContact O-N 3.22Å
115	Y	32.3	Very low	35.8	Very low	140 Å²	140	120 Å²	120	55%	0.549	57%	0.572	S	S	.	*	H	α-helix	trans	-72.4	-35.6	179.1	-142.2	-83.5	0	0	0	112.3	K113	K113-Y115 PolarHBondContact O-N 3.17Å
116	N	33	Very low	35.7	Very low	103 Å²	103	117.4 Å²	117.4	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-79.9	-43.4	178.5	-62	11	0	0	0	110.6	K113 Q118 E119 D120	K113-N116 PolarHBondContact O-N 3.49Å; K113-N116 VanDerWaalsContact O-N 3.17Å; N116-Q118 PolarHBondContact O-N 3.36Å; N116-Q118 VanDerWaalsContact O-N 3.12Å; N116-E119 WeakPolarHBondContact O-CA 3.23Å; N116-E119 WeakPolarHBondContact O-CB 3.43Å; N116-E119 PolarHBondContact O-N 3.18Å; N116-D120 PolarHBondContact O-N 3.11Å
117	E	34.6	Very low	35.9	Very low	110 Å²	110	110.8 Å²	110.8	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-55.7	-32.1	177.2	-149.8	163.4	-132.1	0	0	111.6	K113 L114 I121	K113-E117 PolarHBondContact O-N 2.98Å; L114-E117 WeakPolarHBondContact CD2-OE2 3.31Å; E117-I121 WeakPolarHBondContact O-CD1 3.4Å; E117-I121 VanDerWaalsContact O-CG1 3.25Å; E117-I121 WeakPolarHBondContact O-CG1 3.47Å; E117-I121 PolarHBondContact O-N 3Å; E117-I121 VanDerWaalsContact O-N 3.16Å
118	Q	33	Very low	35.7	Very low	125 Å²	125	107.9 Å²	107.9	58%	0.584	52%	0.516	S	S	*	.	H	α-helix	trans	-82.6	-17.1	175.7	-163.8	164.2	86.9	0	0	114.2	L114 N116 Q122	L114-Q118 VanDerWaalsContact O-CB 3.32Å; L114-Q118 WeakPolarHBondContact O-CB 3.43Å; L114-Q118 PolarHBondContact O-N 3.22Å; N116-Q118 PolarHBondContact O-N 3.36Å; N116-Q118 VanDerWaalsContact O-N 3.12Å; Q118-Q122 PolarHBondContact O-N 3.5Å
119	E	36.8	Very low	35.9	Very low	97 Å²	97	100 Å²	100	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-80.5	-39.3	166.7	-69.3	-171.5	155.9	0	0	111.1	N116 I121 Q122 M123	N116-E119 WeakPolarHBondContact O-CA 3.23Å; N116-E119 WeakPolarHBondContact O-CB 3.43Å; N116-E119 PolarHBondContact O-N 3.18Å; E119-I121 PolarHBondContact O-N 3.14Å; E119-Q122 PolarHBondContact O-N 2.99Å; E119-M123 PolarHBondContact O-N 3.47Å
120	D	33.3	Very low	35.6	Very low	85 Å²	85	97.4 Å²	97.4	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-60.4	-42.5	173.5	-68.4	-43	0	0	0	112.1	N116 N124	N116-D120 PolarHBondContact O-N 3.11Å; D120-N124 WeakPolarHBondContact O-CB 3.32Å; D120-N124 PolarHBondContact O-N 2.99Å
121	I	35.5	Very low	35.4	Very low	82 Å²	82	92.7 Å²	92.7	42%	0.421	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-44.6	173.2	-71.1	165.5	0	0	0	111.2	E117 E119 N124 Y125	E117-I121 WeakPolarHBondContact O-CD1 3.4Å; E117-I121 VanDerWaalsContact O-CG1 3.25Å; E117-I121 WeakPolarHBondContact O-CG1 3.47Å; E117-I121 PolarHBondContact O-N 3Å; E117-I121 VanDerWaalsContact O-N 3.16Å; E119-I121 PolarHBondContact O-N 3.14Å; I121-N124 PolarHBondContact O-N 3.29Å; I121-Y125 HydrophobicContact CG2-CD2 3.79Å; I121-Y125 HydrophobicContact CG2-CE2 3.6Å; I121-Y125 VanDerWaalsContact O-CD2 3.25Å; I121-Y125 WeakPolarHBondContact O-CD2 3.24Å; I121-Y125 PolarHBondContact O-N 3.06Å
122	Q	37.1	Very low	35.8	Very low	53 Å²	53	96 Å²	96	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-65.5	-43.9	179.6	-178.9	64.7	63.8	0	0	111.5	Q118 E119 N124 Y125 D126	Q118-Q122 PolarHBondContact O-N 3.5Å; E119-Q122 PolarHBondContact O-N 2.99Å; Q122-N124 VanDerWaalsContact C-N 3.32Å; Q122-N124 PolarHBondContact O-N 3.11Å; Q122-Y125 PolarHBondContact O-N 2.69Å; Q122-D126 PolarHBondContact NE2-OD2 3.04Å; Q122-D126 PolarHBondContact O-N 3.38Å; Q122-D126 VanDerWaalsContact O-N 3.11Å
123	M	35.9	Very low	36	Very low	111 Å²	111	87 Å²	87	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-45.2	173.2	-75.1	-164.5	-68.7	0	0	111	E119 Y125 D126 L127	E119-M123 PolarHBondContact O-N 3.47Å; M123-Y125 VanDerWaalsContact C-N 3.32Å; M123-Y125 PolarHBondContact O-N 2.89Å; M123-D126 PolarHBondContact O-N 3Å; M123-L127 WeakPolarHBondContact O-CB 3.44Å; M123-L127 PolarHBondContact O-N 3.08Å
124	N	35.1	Very low	35.8	Very low	19 Å²	19	87.3 Å²	87.3	10%	0.102	41%	0.405	C	S	.	.	H	α-helix	trans	-62.3	-33.8	177.4	-102	-56.7	0	0	0	113.8	D120 I121 Q122 N128 H203 Y206	D120-N124 WeakPolarHBondContact O-CB 3.32Å; D120-N124 PolarHBondContact O-N 2.99Å; I121-N124 PolarHBondContact O-N 3.29Å; Q122-N124 VanDerWaalsContact C-N 3.32Å; Q122-N124 PolarHBondContact O-N 3.11Å; N124-N128 VanDerWaalsContact O-CB 3.3Å; N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 2.95Å; N124-N128 PolarHBondContact O-ND2 3.12Å; N124-H203 PolarHBondContact OD1-ND1 3.48Å; N124-H203 VanDerWaalsContact OD1-ND1 3.16Å; N124-Y206 HydrophobicContact CB-CE1 4.49Å; N124-Y206 WeakPolarHBondContact ND2-CD1 3.26Å; N124-Y206 VanDerWaalsContact ND2-CD2 3.26Å; N124-Y206 WeakPolarHBondContact ND2-CD2 3.34Å; N124-Y206 WeakPolarHBondContact ND2-CE2 3.4Å; N124-Y206 WeakPolarHBondContact OD1-CD1 3.4Å
125	Y	37	Very low	35.5	Very low	166 Å²	166	86 Å²	86	65%	0.651	40%	0.397	S	S	*	.	H	α-helix	trans	-69.9	-49	175.6	-84.4	-65.4	0	0	0	112.7	I121 Q122 M123 L127 N128 G129	I121-Y125 HydrophobicContact CG2-CD2 3.79Å; I121-Y125 HydrophobicContact CG2-CE2 3.6Å; I121-Y125 VanDerWaalsContact O-CD2 3.25Å; I121-Y125 WeakPolarHBondContact O-CD2 3.24Å; I121-Y125 PolarHBondContact O-N 3.06Å; Q122-Y125 PolarHBondContact O-N 2.69Å; M123-Y125 VanDerWaalsContact C-N 3.32Å; M123-Y125 PolarHBondContact O-N 2.89Å; Y125-L127 PolarHBondContact O-N 2.9Å; Y125-N128 PolarHBondContact O-N 2.84Å; Y125-G129 PolarHBondContact O-N 2.78Å
126	D	37.3	Very low	35.4	Very low	62 Å²	62	84 Å²	84	33%	0.332	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-32.6	177.8	-70	-49.3	0	0	0	111.3	Q122 M123 G129 Y130	Q122-D126 PolarHBondContact NE2-OD2 3.04Å; Q122-D126 PolarHBondContact O-N 3.38Å; Q122-D126 VanDerWaalsContact O-N 3.11Å; M123-D126 PolarHBondContact O-N 3Å; D126-G129 PolarHBondContact O-N 2.93Å; D126-Y130 WeakPolarHBondContact O-CB 3.49Å; D126-Y130 PolarHBondContact O-N 3.36Å
127	L	40	Very low	35.3	Very low	24 Å²	24	82.8 Å²	82.8	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-76.7	-41.3	179	-175.4	47.6	0	0	0	114	M123 Y125 G129 Y130 I131 I199 H203	M123-L127 WeakPolarHBondContact O-CB 3.44Å; M123-L127 PolarHBondContact O-N 3.08Å; Y125-L127 PolarHBondContact O-N 2.9Å; L127-G129 PolarHBondContact O-N 3.13Å; L127-Y130 PolarHBondContact O-N 3.17Å; L127-I131 HydrophobicContact CD1-CD1 3.64Å; L127-I131 HydrophobicContact CD1-CG1 3.99Å; L127-I131 HydrophobicContact CG-CD1 3.99Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.41Å; L127-I131 PolarHBondContact O-N 3.46Å; L127-I199 HydrophobicContact CD1-CG2 3.4Å; L127-I199 HydrophobicContact CD2-CG2 3.45Å; L127-I199 VanDerWaalsContact CD2-CG2 3.45Å; L127-I199 HydrophobicContact CG-CG2 4.02Å; L127-H203 HydrophobicContact CD2-CB 3.61Å; L127-H203 HydrophobicContact CG-CB 3.98Å
128	N	34.4	Very low	35	Very low	64 Å²	64	81.1 Å²	81.1	34%	0.342	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-40.6	168.4	-90.1	-72.8	0	0	0	110.8	N124 Y125 K132	N124-N128 VanDerWaalsContact O-CB 3.3Å; N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 2.95Å; N124-N128 PolarHBondContact O-ND2 3.12Å; Y125-N128 PolarHBondContact O-N 2.84Å; N128-K132 WeakPolarHBondContact O-CB 3.46Å; N128-K132 PolarHBondContact O-N 3.26Å; N128-K132 VanDerWaalsContact O-N 3.14Å
129	G	41.1	Very low	34.9	Very low	13 Å²	13	79.7 Å²	79.7	13%	0.134	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-54.8	170.5	0	0	0	0	0	111.7	Y125 D126 L127 I131 H133	Y125-G129 PolarHBondContact O-N 2.78Å; D126-G129 PolarHBondContact O-N 2.93Å; L127-G129 PolarHBondContact O-N 3.13Å; G129-I131 PolarHBondContact O-N 3.16Å; G129-H133 VanDerWaalsContact O-CB 3.32Å; G129-H133 WeakPolarHBondContact O-CB 3.43Å; G129-H133 PolarHBondContact O-CD2 3.12Å; G129-H133 VanDerWaalsContact O-CD2 3.25Å; G129-H133 PolarHBondContact O-N 3.24Å
130	Y	34.9	Very low	34.9	Very low	102 Å²	102	80.4 Å²	80.4	40%	0.4	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-45.1	-176.3	-157.4	-85.3	0	0	0	113.4	D126 L127 H133 R134	D126-Y130 WeakPolarHBondContact O-CB 3.49Å; D126-Y130 PolarHBondContact O-N 3.36Å; L127-Y130 PolarHBondContact O-N 3.17Å; Y130-H133 PolarHBondContact O-N 2.69Å; Y130-R134 HydrophobicContact CE1-CB 4.47Å; Y130-R134 WeakPolarHBondContact O-CB 3.5Å; Y130-R134 PolarHBondContact O-N 2.81Å; Y130-R134 PolarHBondContact OH-NH1 3.32Å
131	I	34.2	Very low	34.9	Very low	33 Å²	33	82.9 Å²	82.9	17%	0.169	40%	0.396	C	S	.	.	H	α-helix	trans	-66.3	-50.4	-179	-74	169.5	0	0	0	110.6	L127 G129 H133 R134 M135 F200 H203	L127-I131 HydrophobicContact CD1-CD1 3.64Å; L127-I131 HydrophobicContact CD1-CG1 3.99Å; L127-I131 HydrophobicContact CG-CD1 3.99Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.41Å; L127-I131 PolarHBondContact O-N 3.46Å; G129-I131 PolarHBondContact O-N 3.16Å; I131-H133 PolarHBondContact O-N 3.31Å; I131-H133 VanDerWaalsContact O-N 3.07Å; I131-R134 PolarHBondContact O-N 2.98Å; I131-M135 HydrophobicContact CG2-CG 4.37Å; I131-M135 HydrophobicContact CG2-SD 3.95Å; I131-M135 WeakPolarHBondContact O-CB 3.36Å; I131-M135 PolarHBondContact O-N 3.37Å; I131-F200 HydrophobicContact CD1-CD2 4.03Å; I131-F200 HydrophobicContact CD1-CE2 4.38Å; I131-F200 HydrophobicContact CG1-CD2 4.4Å; I131-H203 HydrophobicContact CD1-CB 4.02Å; I131-H203 WeakPolarHBondContact CD1-CD2 3.25Å
132	K	39.4	Very low	35	Very low	130 Å²	130	84.8 Å²	84.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-61.3	-19.9	179.8	-167.8	178.8	-177.9	-168.3	0	113.5	N128	N128-K132 WeakPolarHBondContact O-CB 3.46Å; N128-K132 PolarHBondContact O-N 3.26Å; N128-K132 VanDerWaalsContact O-N 3.14Å
133	H	36.9	Very low	35	Very low	32 Å²	32	88.6 Å²	88.6	15%	0.148	42%	0.419	C	S	.	.	H	α-helix	trans	-113.8	-5.2	-175.2	-77.2	-69.6	0	0	0	115.9	G129 Y130 I131 Y470 Q475	G129-H133 VanDerWaalsContact O-CB 3.32Å; G129-H133 WeakPolarHBondContact O-CB 3.43Å; G129-H133 PolarHBondContact O-CD2 3.12Å; G129-H133 VanDerWaalsContact O-CD2 3.25Å; G129-H133 PolarHBondContact O-N 3.24Å; Y130-H133 PolarHBondContact O-N 2.69Å; I131-H133 PolarHBondContact O-N 3.31Å; I131-H133 VanDerWaalsContact O-N 3.07Å; H133-Y470 HydrophobicContact CB-CD1 3.8Å; H133-Y470 HydrophobicContact CB-CG 4.32Å; H133-Y470 PolarHBondContact CD2-O 3.05Å; H133-Y470 VanDerWaalsContact CE1-CA 3.45Å; H133-Y470 WeakPolarHBondContact CE1-CA 3.34Å; H133-Y470 AromaticContact CG-CD1 3.89Å; H133-Y470 AromaticContact ND1-CD1 3.59Å; H133-Y470 PolarHBondContact NE2-O 2.92Å; H133-Q475 VanDerWaalsContact CE1-CG 3.49Å; H133-Q475 WeakPolarHBondContact CE1-CG 3.44Å; H133-Q475 PolarHBondContact CE1-NE2 3.27Å
134	R	33.7	Very low	34.9	Very low	177 Å²	177	87 Å²	87	67%	0.668	41%	0.413	S	S	*	.	H	α-helix	trans	-126.1	-16.6	174.8	-74.7	-176.4	167.6	-150.2	-8.1	115.1	Y130 I131 I136	Y130-R134 HydrophobicContact CE1-CB 4.47Å; Y130-R134 WeakPolarHBondContact O-CB 3.5Å; Y130-R134 PolarHBondContact O-N 2.81Å; Y130-R134 PolarHBondContact OH-NH1 3.32Å; I131-R134 PolarHBondContact O-N 2.98Å; R134-I136 VanDerWaalsContact C-N 3.3Å; R134-I136 PolarHBondContact O-N 3.36Å; R134-I136 VanDerWaalsContact O-N 3.09Å
135	M	29.7	Very low	35	Very low	79 Å²	79	89.2 Å²	89.2	39%	0.389	43%	0.425	S	S	.	.			trans	-82.4	78	166.8	-65.1	-166.2	76.4	0	0	110.4	I131 P137 F200	I131-M135 HydrophobicContact CG2-CG 4.37Å; I131-M135 HydrophobicContact CG2-SD 3.95Å; I131-M135 WeakPolarHBondContact O-CB 3.36Å; I131-M135 PolarHBondContact O-N 3.37Å; M135-P137 WeakPolarHBondContact O-CD 3.5Å; M135-F200 HydrophobicContact CE-CE2 4.34Å; M135-F200 HydrophobicContact SD-CE2 3.67Å; M135-F200 HydrophobicContact SD-CZ 4.39Å
136	I	30	Very low	35	Very low	96 Å²	96	86.1 Å²	86.1	49%	0.492	42%	0.419	S	S	.	.			trans	-63.2	125.2	160	-59.7	174.7	0	0	0	106.6	R134 C138 E140 Y141	R134-I136 VanDerWaalsContact C-N 3.3Å; R134-I136 PolarHBondContact O-N 3.36Å; R134-I136 VanDerWaalsContact O-N 3.09Å; I136-C138 PolarHBondContact O-N 3.24Å; I136-E140 HydrophobicContact CG2-CB 4.25Å; I136-Y141 HydrophobicContact CG2-CD2 4.47Å
137	P	31	Very low	35.1	Very low	79 Å²	79	90.1 Å²	90.1	51%	0.513	43%	0.433	S	S	.	.			trans	-57.3	131.6	176.2	-24.3	34.7	0	0	0	110.7	M135 D139 E140	M135-P137 WeakPolarHBondContact O-CD 3.5Å; P137-D139 PolarHBondContact O-N 3.18Å; P137-E140 WeakPolarHBondContact O-CB 3.29Å; P137-E140 PolarHBondContact O-N 3.35Å
138	C	29.6	Very low	34.8	Very low	74 Å²	74	95.7 Å²	95.7	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-57.6	-25.4	-174.4	-65.3	0	0	0	0	113.1	I136 Y141 K142	I136-C138 PolarHBondContact O-N 3.24Å; C138-Y141 WeakPolarHBondContact O-CB 3.36Å; C138-Y141 PolarHBondContact O-N 2.92Å; C138-K142 WeakPolarHBondContact O-CG 3.3Å; C138-K142 PolarHBondContact O-N 2.67Å
139	D	31	Very low	35.1	Very low	95 Å²	95	99.6 Å²	99.6	51%	0.508	47%	0.467	S	S	.	.	H	α-helix	trans	-71.3	-29.7	178	-52.7	-53.1	0	0	0	113.5	P137 Y141 K142 Q143	P137-D139 PolarHBondContact O-N 3.18Å; D139-Y141 VanDerWaalsContact C-N 3.29Å; D139-K142 PolarHBondContact O-N 3.38Å; D139-K142 IonicContact OD1-NZ 3.67Å; D139-K142 PolarHBondContact OD1-NZ 3.37Å; D139-Q143 WeakPolarHBondContact O-CG 3.24Å; D139-Q143 PolarHBondContact O-N 2.87Å
140	E	35.3	Very low	34.8	Very low	113 Å²	113	108.4 Å²	108.4	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-71.6	-29.7	172.7	-162.8	168.7	-135.6	0	0	110.9	I136 P137 N144	I136-E140 HydrophobicContact CG2-CB 4.25Å; P137-E140 WeakPolarHBondContact O-CB 3.29Å; P137-E140 PolarHBondContact O-N 3.35Å; E140-N144 WeakPolarHBondContact O-CB 3.42Å; E140-N144 PolarHBondContact O-N 2.76Å; E140-N144 PolarHBondContact O-ND2 3.06Å
141	Y	33	Very low	34.9	Very low	137 Å²	137	108.6 Å²	108.6	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-42.1	169.9	-131.6	-84.9	0	0	0	112	I136 C138 D139 N144 N145	I136-Y141 HydrophobicContact CG2-CD2 4.47Å; C138-Y141 WeakPolarHBondContact O-CB 3.36Å; C138-Y141 PolarHBondContact O-N 2.92Å; D139-Y141 VanDerWaalsContact C-N 3.29Å; Y141-N144 PolarHBondContact O-N 2.98Å; Y141-N145 PolarHBondContact O-N 3.43Å
142	K	38.1	Very low	35.1	Very low	122 Å²	122	111.9 Å²	111.9	53%	0.53	53%	0.531	S	S	.	.	H	α-helix	trans	-57.7	-50.5	173.9	-69.1	171.3	-165.2	156.6	0	111	C138 D139 N144 N145 L146	C138-K142 WeakPolarHBondContact O-CG 3.3Å; C138-K142 PolarHBondContact O-N 2.67Å; D139-K142 PolarHBondContact O-N 3.38Å; D139-K142 IonicContact OD1-NZ 3.67Å; D139-K142 PolarHBondContact OD1-NZ 3.37Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 3.37Å; K142-N145 PolarHBondContact O-N 2.94Å; K142-L146 VanDerWaalsContact O-CD1 3.23Å; K142-L146 WeakPolarHBondContact O-CD1 3.44Å; K142-L146 PolarHBondContact O-N 3.04Å
143	Q	37.6	Very low	34.8	Very low	132 Å²	132	112.1 Å²	112.1	62%	0.617	54%	0.538	S	S	*	.	H	α-helix	trans	-60.3	-39.7	179.6	-70	-167.7	25	0	0	113	D139 K147	D139-Q143 WeakPolarHBondContact O-CG 3.24Å; D139-Q143 PolarHBondContact O-N 2.87Å; Q143-K147 WeakPolarHBondContact O-CB 3.4Å; Q143-K147 PolarHBondContact O-N 2.92Å; Q143-K147 VanDerWaalsContact O-N 3.12Å
144	N	34.7	Very low	34.7	Very low	78 Å²	78	117.7 Å²	117.7	42%	0.417	57%	0.569	S	S	.	*	H	α-helix	trans	-80.5	-12	-179.7	-74.1	-61.5	0	0	0	114.8	E140 Y141 K142 R148	E140-N144 WeakPolarHBondContact O-CB 3.42Å; E140-N144 PolarHBondContact O-N 2.76Å; E140-N144 PolarHBondContact O-ND2 3.06Å; Y141-N144 PolarHBondContact O-N 2.98Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 3.37Å; N144-R148 PolarHBondContact O-NE 2.93Å; N144-R148 VanDerWaalsContact O-NE 3.16Å; N144-R148 PolarHBondContact O-NH2 3.43Å
145	N	36.4	Very low	34.6	Very low	65 Å²	65	117.1 Å²	117.1	35%	0.348	58%	0.579	S	S	.	*	H	α-helix	trans	-94.6	-33.8	168.6	-84.9	-6.4	0	0	0	112.9	Y141 K142 K147 R148 K149	Y141-N145 PolarHBondContact O-N 3.43Å; K142-N145 PolarHBondContact O-N 2.94Å; N145-K147 VanDerWaalsContact C-N 3.34Å; N145-R148 PolarHBondContact O-N 3.05Å; N145-R148 PolarHBondContact OD1-NH2 3.08Å; N145-R148 VanDerWaalsContact OD1-NH2 3.07Å; N145-K149 PolarHBondContact O-N 3.34Å
146	L	36.8	Very low	34.7	Very low	101 Å²	101	120 Å²	120	53%	0.529	60%	0.602	S	S	.	*	H	α-helix	trans	-60.4	-44.8	168.4	-91.9	77	0	0	0	110.8	K142 R148 K149 Y150	K142-L146 VanDerWaalsContact O-CD1 3.23Å; K142-L146 WeakPolarHBondContact O-CD1 3.44Å; K142-L146 PolarHBondContact O-N 3.04Å; L146-R148 PolarHBondContact O-N 3.49Å; L146-R148 VanDerWaalsContact O-N 3.13Å; L146-K149 PolarHBondContact O-N 3.15Å; L146-Y150 VanDerWaalsContact O-CD2 3.29Å; L146-Y150 WeakPolarHBondContact O-CD2 3.46Å; L146-Y150 PolarHBondContact O-N 3.38Å; L146-Y150 VanDerWaalsContact O-N 3.15Å
147	K	39.4	Very low	35	Very low	146 Å²	146	121.4 Å²	121.4	64%	0.635	62%	0.615	S	S	*	*	H	α-helix	trans	-60.4	-18.5	173.1	-81.4	-179.9	176.3	172.4	0	114.5	Q143 N145 T151	Q143-K147 WeakPolarHBondContact O-CB 3.4Å; Q143-K147 PolarHBondContact O-N 2.92Å; Q143-K147 VanDerWaalsContact O-N 3.12Å; N145-K147 VanDerWaalsContact C-N 3.34Å; K147-T151 WeakPolarHBondContact O-CG2 3.48Å; K147-T151 PolarHBondContact O-OG1 3.22Å
148	R	34.9	Very low	35.1	Very low	141 Å²	141	124.1 Å²	124.1	53%	0.532	63%	0.625	S	S	.	*	H	α-helix	trans	-90.8	-44.6	173.6	-99.3	176.4	-71.3	179.5	0.7	112.8	N144 N145 L146 Y150 T151 T152	N144-R148 PolarHBondContact O-NE 2.93Å; N144-R148 VanDerWaalsContact O-NE 3.16Å; N144-R148 PolarHBondContact O-NH2 3.43Å; N145-R148 PolarHBondContact O-N 3.05Å; N145-R148 PolarHBondContact OD1-NH2 3.08Å; N145-R148 VanDerWaalsContact OD1-NH2 3.07Å; L146-R148 PolarHBondContact O-N 3.49Å; L146-R148 VanDerWaalsContact O-N 3.13Å; R148-Y150 VanDerWaalsContact C-N 3.35Å; R148-Y150 PolarHBondContact O-N 2.85Å; R148-T151 PolarHBondContact O-N 2.79Å; R148-T151 PolarHBondContact O-OG1 3.27Å; R148-T152 PolarHBondContact O-OG1 2.93Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å
149	K	39.5	Very low	35.4	Very low	147 Å²	147	127.2 Å²	127.2	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-54.5	-48.7	175.2	-86.5	-178.5	171	172.7	0	111.5	N145 L146 T151 T152	N145-K149 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 3.15Å; K149-T151 PolarHBondContact O-N 3.42Å; K149-T152 PolarHBondContact O-N 2.89Å
150	Y	34.5	Very low	35.5	Very low	197 Å²	197	128.2 Å²	128.2	77%	0.773	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	6.4	177.2	-69.7	-64.6	0	0	0	115.9	L146 R148	L146-Y150 VanDerWaalsContact O-CD2 3.29Å; L146-Y150 WeakPolarHBondContact O-CD2 3.46Å; L146-Y150 PolarHBondContact O-N 3.38Å; L146-Y150 VanDerWaalsContact O-N 3.15Å; R148-Y150 VanDerWaalsContact C-N 3.35Å; R148-Y150 PolarHBondContact O-N 2.85Å
151	T	38.2	Very low	35.5	Very low	106 Å²	106	131.7 Å²	131.7	65%	0.65	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	8	177.1	59.8	0	0	0	0	114	K147 R148 K149	K147-T151 WeakPolarHBondContact O-CG2 3.48Å; K147-T151 PolarHBondContact O-OG1 3.22Å; R148-T151 PolarHBondContact O-N 2.79Å; R148-T151 PolarHBondContact O-OG1 3.27Å; K149-T151 PolarHBondContact O-N 3.42Å
152	T	36.7	Very low	35.6	Very low	103 Å²	103	131.3 Å²	131.3	63%	0.632	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-11.3	-174.6	-46	0	0	0	0	114.3	R148 K149 N154	R148-T152 PolarHBondContact O-OG1 2.93Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å; K149-T152 PolarHBondContact O-N 2.89Å; T152-N154 PolarHBondContact O-N 2.89Å
153	D	33.8	Very low	35.3	Very low	135 Å²	135	131.7 Å²	131.7	72%	0.722	67%	0.667	S	S	*	*	S	Bend	trans	-86.3	0.3	-175.5	-63	-28.1	0	0	0	115
154	N	34.9	Very low	35.2	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	67%	0.674	S	S	*	*	S	Bend	trans	-113.9	76.1	178.6	-77.1	-38.6	0	0	0	111.6	T152	T152-N154 PolarHBondContact O-N 2.89Å
155	N	32.2	Very low	35	Very low	164 Å²	164	139.2 Å²	139.2	88%	0.877	70%	0.696	S	S	*	*	S	Bend	trans	174.7	48	151	-92.7	-23.4	0	0	0	115.4
156	T	31.6	Very low	35	Very low	140 Å²	140	141 Å²	141	86%	0.859	71%	0.711	S	S	*	*			trans	-145.2	111.4	163.3	-45.2	0	0	0	0	112.6
157	T	35.2	Very low	34.7	Very low	125 Å²	125	145.9 Å²	145.9	77%	0.767	73%	0.728	S	S	*	*			trans	-139.9	147.8	161.9	47.9	0	0	0	0	111
158	N	32.9	Very low	34.2	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	72%	0.724	S	S	*	*			trans	75.6	104.8	166.7	-62.8	-10.6	0	0	0	119.6
159	N	36.1	Very low	33.9	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	73%	0.733	S	S	*	*			trans	92.8	144.8	133.1	-57.8	-22.8	0	0	0	120.5
160	N	34.7	Very low	33.4	Very low	115 Å²	115	141 Å²	141	62%	0.615	74%	0.737	S	S	*	*			cis	-166.9	154.3	-39.9	-136	-23.1	0	0	0	110.9
161	Y	33.8	Very low	33.3	Very low	187 Å²	187	140.9 Å²	140.9	73%	0.733	75%	0.746	S	S	*	*			trans	58.1	124.1	158.5	-67.4	-55.9	0	0	0	122.4
162	N	35.2	Very low	32.8	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	76%	0.756	S	S	*	*				71	148.7	128.4	-64	20.7	0	0	0	121.5
163	D	32.2	Very low	32.4	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	76%	0.761	S	S	*	*			cis	-168.9	-169	-27.2	-112.2	-34.4	0	0	0	109.7
164	D	35.3	Very low	32.1	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	77%	0.768	S	S	*	*			trans	79.4	75.3	157	-67.9	-28.2	0	0	0	121.3
165	Y	30	Very low	31.9	Very low	224 Å²	224	153.5 Å²	153.5	88%	0.878	77%	0.773	S	S	*	*				65.8	150.9	120.2	-95.8	-105.4	0	0	0	124.1
166	P	36.4	Very low	31.8	Very low	104 Å²	104	157.5 Å²	157.5	68%	0.675	78%	0.776	S	S	*	*			trans	-120.3	-178.5	-170.8	43.4	-29.9	0	0	0	115.2
167	F	31.3	Very low	31.7	Very low	202 Å²	202	157 Å²	157	89%	0.886	77%	0.772	S	S	*	*			trans	-145.5	159.9	160.1	-137.8	-96	0	0	0	114.1
168	S	28.8	Very low	31.2	Very low	78 Å²	78	156.7 Å²	156.7	55%	0.545	78%	0.775	S	S	.	*			trans	-108.6	162.8	-170.2	59.9	0	0	0	0	112.3
169	N	28.8	Very low	31.1	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	78%	0.776	S	S	*	*				179.6	161.5	69.2	-122.5	-28.4	0	0	0	115.3
170	T	28	Very low	30.7	Very low	119 Å²	119	153.9 Å²	153.9	73%	0.73	77%	0.77	S	S	*	*			trans	41.7	115.4	151.6	58.6	0	0	0	0	122.3
171	M	33	Very low	30.3	Very low	195 Å²	195	156.8 Å²	156.8	96%	0.961	79%	0.785	S	S	*	*				-153.6	163.6	98.9	-111.6	-161.8	177.7	0	0	111.9
172	K	28.3	Very low	30	Very low	195 Å²	195	153.6 Å²	153.6	85%	0.848	78%	0.778	S	S	*	*			trans	-89.8	135.7	-170.9	-59	173.1	-178	176.7	0	111.2
173	N	28.6	Very low	29.6	Very low	139 Å²	139	153.5 Å²	153.5	74%	0.743	78%	0.782	S	S	*	*			trans	-173.5	138.8	132.7	-95.8	-5.6	0	0	0	112.2
174	E	26.4	Very low	29.5	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	78%	0.778	S	S	*	*			trans	28.1	93.8	149.6	-58.4	-179.6	167.4	0	0	118.3
175	R	31.3	Very low	29.4	Very low	239 Å²	239	154.4 Å²	154.4	90%	0.902	78%	0.781	S	S	*	*			trans	-133.3	133.4	158.5	-72.4	-168.6	175.5	-173.5	-1.3	111.4
176	R	29.7	Very low	29.6	Very low	248 Å²	248	151.5 Å²	151.5	94%	0.936	78%	0.776	S	S	*	*			trans	-63.6	138.4	170.6	-66.9	177	175.8	175.1	-2.8	109.1	S178	R176-S178 PolarHBondContact O-N 3.18Å
177	T	28.6	Very low	29.3	Very low	128 Å²	128	151 Å²	151	79%	0.785	77%	0.767	S	S	*	*			trans	-71.8	110.4	-174.9	46.8	0	0	0	0	111.9	T179	T177-T179 PolarHBondContact O-N 2.84Å
178	S	25.7	Very low	29.2	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	76%	0.759	S	S	*	*			trans	-74.4	104.5	157.9	51.7	0	0	0	0	108.9	R176	R176-S178 PolarHBondContact O-N 3.18Å
179	T	30.3	Very low	29.5	Very low	121 Å²	121	148.1 Å²	148.1	74%	0.742	76%	0.758	S	S	*	*			trans	-77.8	155.8	173.7	38.3	0	0	0	0	111.7	T177	T177-T179 PolarHBondContact O-N 2.84Å
180	P	27.5	Very low	29.9	Very low	96 Å²	96	146.2 Å²	146.2	62%	0.623	76%	0.756	S	S	*	*			trans	-90.5	166.3	-153.1	-5.7	25	0	0	0	114.6	M182	P180-M182 HydrophobicContact CB-CG 3.74Å; P180-M182 HydrophobicContact CG-CG 3.95Å; P180-M182 HydrophobicContact CG-SD 4.15Å; P180-M182 PolarHBondContact O-N 2.98Å
181	L	26.7	Very low	30	Very low	177 Å²	177	150.6 Å²	150.6	93%	0.927	76%	0.76	S	S	*	*			trans	-72.6	73.3	167.2	-166.4	80.9	0	0	0	109.8	T183	L181-T183 PolarHBondContact O-N 3.35Å
182	M	27.4	Very low	30.2	Very low	120 Å²	120	145.2 Å²	145.2	59%	0.591	73%	0.734	S	S	*	*			trans	-85.4	108.9	-171.3	-66.9	-150.4	65.7	0	0	113.2	P180 N184	P180-M182 HydrophobicContact CB-CG 3.74Å; P180-M182 HydrophobicContact CG-CG 3.95Å; P180-M182 HydrophobicContact CG-SD 4.15Å; P180-M182 PolarHBondContact O-N 2.98Å; M182-N184 PolarHBondContact O-N 3.2Å
183	T	27.9	Very low	31	Very low	125 Å²	125	139.9 Å²	139.9	77%	0.767	71%	0.714	S	S	*	*			trans	-76.8	106.1	157.4	50	0	0	0	0	109.4	L181	L181-T183 PolarHBondContact O-N 3.35Å
184	N	30.5	Very low	32	Very low	116 Å²	116	137.2 Å²	137.2	62%	0.62	70%	0.699	S	S	*	*			trans	-166.2	150.7	157.9	-91.9	-19.5	0	0	0	108.5	M182 E186	M182-N184 PolarHBondContact O-N 3.2Å; N184-E186 PolarHBondContact O-N 2.89Å
185	E	32	Very low	33.1	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	68%	0.681	S	S	*	*	S	Bend	trans	-88.7	4.3	-168.7	-67	-179.2	125.6	0	0	114.4
186	E	33.6	Very low	34	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	66%	0.655	S	S	*	*	S	Bend	trans	-102.8	-25.3	-164.5	-59.4	-179	141.7	0	0	115.1	N184 C188	N184-E186 PolarHBondContact O-N 2.89Å; E186-C188 PolarHBondContact O-N 3.43Å
187	D	31.8	Very low	35.2	Very low	93 Å²	93	114.7 Å²	114.7	50%	0.497	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-78.2	-6.9	-168.9	-86.1	-42.1	0	0	0	116	H189 S190	D187-H189 PolarHBondContact O-N 3.06Å; D187-S190 WeakPolarHBondContact O-CB 3.18Å; D187-S190 PolarHBondContact O-N 3.24Å
188	C	28.3	Very low	36.8	Very low	107 Å²	107	111.2 Å²	111.2	72%	0.723	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-57.4	-27.2	-176.3	-71.9	0	0	0	0	113.8	E186	E186-C188 PolarHBondContact O-N 3.43Å
189	H	34.1	Very low	38.2	Very low	113 Å²	113	109 Å²	109	52%	0.523	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-78.7	-16.5	179.2	-63.7	-89.4	0	0	0	113.8	D187 Y191	D187-H189 PolarHBondContact O-N 3.06Å; H189-Y191 VanDerWaalsContact C-N 3.31Å; H189-Y191 PolarHBondContact O-N 3.02Å
190	S	37.8	Very low	39.7	Very low	94 Å²	94	103.9 Å²	103.9	66%	0.657	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.7	-180	-164.4	0	0	0	0	113.3	D187	D187-S190 WeakPolarHBondContact O-CB 3.18Å; D187-S190 PolarHBondContact O-N 3.24Å
191	Y	29.6	Very low	41.4	Very low	212 Å²	212	100 Å²	100	83%	0.831	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-86.8	-0.7	-173.6	-99.3	-84.3	0	0	0	115.9	H189	H189-Y191 VanDerWaalsContact C-N 3.31Å; H189-Y191 PolarHBondContact O-N 3.02Å
192	M	38.9	Very low	43.2	Very low	82 Å²	82	96.1 Å²	96.1	40%	0.404	49%	0.491	S	S	.	.	S	Bend	trans	-90.7	114.8	165.5	-73.2	-157.6	-176.6	0	0	110.7	H196 K197	M192-H196 HydrophobicContact CB-CB 4.19Å; M192-H196 HydrophobicContact CG-CB 4.39Å; M192-H196 HydrophobicContact SD-CB 4.45Å; M192-K197 HydrophobicContact CB-CG 3.81Å
193	N	44.2	Very low	44.8	Very low	82 Å²	82	90.7 Å²	90.7	44%	0.439	46%	0.464	S	S	.	.			trans	-52.6	151.2	164.3	-179	21.9	0	0	0	110.3	D195 H196 K197	N193-D195 PolarHBondContact ND2-OD2 3Å; N193-D195 PolarHBondContact O-N 3.35Å; N193-D195 VanDerWaalsContact O-N 3.16Å; N193-H196 WeakPolarHBondContact O-CA 3.44Å; N193-H196 WeakPolarHBondContact O-CB 3.23Å; N193-H196 PolarHBondContact O-N 2.92Å; N193-K197 PolarHBondContact O-N 3.08Å
194	I	50	Low	46.5	Very low	83 Å²	83	85.7 Å²	85.7	43%	0.426	43%	0.432	S	S	.	.	H	α-helix	trans	-53.3	-38.3	178.3	-63.8	173.5	0	0	0	110.6	H196 K197 K198	I194-H196 PolarHBondContact O-N 2.92Å; I194-K197 PolarHBondContact O-N 3.28Å; I194-K198 HydrophobicContact CG2-CD 3.99Å; I194-K198 HydrophobicContact CG2-CG 4.49Å; I194-K198 WeakPolarHBondContact O-CB 3.44Å; I194-K198 WeakPolarHBondContact O-CG 3.4Å; I194-K198 PolarHBondContact O-N 3.4Å
195	D	50	Low	48	Very low	89 Å²	89	83.8 Å²	83.8	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-41	174.8	-54	-47.6	0	0	0	112	N193 K198 I199	N193-D195 PolarHBondContact ND2-OD2 3Å; N193-D195 PolarHBondContact O-N 3.35Å; N193-D195 VanDerWaalsContact O-N 3.16Å; D195-K198 PolarHBondContact O-N 3.06Å; D195-I199 WeakPolarHBondContact O-CB 3.47Å; D195-I199 WeakPolarHBondContact O-CD1 3.07Å; D195-I199 WeakPolarHBondContact O-CG1 3.33Å; D195-I199 PolarHBondContact O-N 3.27Å
196	H	49.7	Very low	49.6	Very low	78 Å²	78	79 Å²	79	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-39.2	176.1	-61.4	173.8	0	0	0	111.8	M192 N193 I194 I199 F200	M192-H196 HydrophobicContact CB-CB 4.19Å; M192-H196 HydrophobicContact CG-CB 4.39Å; M192-H196 HydrophobicContact SD-CB 4.45Å; N193-H196 WeakPolarHBondContact O-CA 3.44Å; N193-H196 WeakPolarHBondContact O-CB 3.23Å; N193-H196 PolarHBondContact O-N 2.92Å; I194-H196 PolarHBondContact O-N 2.92Å; H196-I199 PolarHBondContact O-N 3.2Å; H196-F200 WeakPolarHBondContact O-CB 3.41Å; H196-F200 PolarHBondContact O-N 3.39Å
197	K	55.4	Low	50.8	Low	33 Å²	33	74 Å²	74	14%	0.143	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-45.1	174.3	-63.1	-170.1	177.4	-178.8	0	111.4	M192 N193 I194 F200 I201 Y231 D235 I239	M192-K197 HydrophobicContact CB-CG 3.81Å; N193-K197 PolarHBondContact O-N 3.08Å; I194-K197 PolarHBondContact O-N 3.28Å; K197-F200 PolarHBondContact O-N 3.5Å; K197-I201 PolarHBondContact O-N 3.49Å; K197-Y231 HydrophobicContact CB-CE1 4.01Å; K197-Y231 HydrophobicContact CD-CE1 4.09Å; K197-Y231 HydrophobicContact CG-CE1 3.97Å; K197-D235 IonicContact NZ-OD1 2.8Å; K197-D235 PolarHBondContact NZ-OD1 2.92Å; K197-I239 HydrophobicContact CB-CD1 3.66Å; K197-I239 HydrophobicContact CB-CG1 4.24Å; K197-I239 HydrophobicContact CD-CD1 4.11Å
198	K	60.7	Low	51.9	Low	55 Å²	55	72.5 Å²	72.5	24%	0.239	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-48.8	174.1	-79.1	171.9	173.9	179.9	0	111.9	I194 D195 I201 N202 I239 N241	I194-K198 HydrophobicContact CG2-CD 3.99Å; I194-K198 HydrophobicContact CG2-CG 4.49Å; I194-K198 WeakPolarHBondContact O-CB 3.44Å; I194-K198 WeakPolarHBondContact O-CG 3.4Å; I194-K198 PolarHBondContact O-N 3.4Å; D195-K198 PolarHBondContact O-N 3.06Å; K198-I201 PolarHBondContact O-N 2.92Å; K198-N202 WeakPolarHBondContact O-CB 3.36Å; K198-N202 PolarHBondContact O-N 3.47Å; K198-I239 WeakPolarHBondContact CE-O 3.29Å; K198-I239 HydrophobicContact CG-CG2 3.76Å; K198-N241 PolarHBondContact NZ-OD1 3.07Å
199	I	56.4	Low	53.4	Low	74 Å²	74	73.5 Å²	73.5	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-44.9	178	-74.3	166.7	0	0	0	110.9	L127 D195 H196 N202 H203	L127-I199 HydrophobicContact CD1-CG2 3.4Å; L127-I199 HydrophobicContact CD2-CG2 3.45Å; L127-I199 VanDerWaalsContact CD2-CG2 3.45Å; L127-I199 HydrophobicContact CG-CG2 4.02Å; D195-I199 WeakPolarHBondContact O-CB 3.47Å; D195-I199 WeakPolarHBondContact O-CD1 3.07Å; D195-I199 WeakPolarHBondContact O-CG1 3.33Å; D195-I199 PolarHBondContact O-N 3.27Å; H196-I199 PolarHBondContact O-N 3.2Å; I199-N202 PolarHBondContact O-N 3.04Å; I199-H203 PolarHBondContact O-N 3.33Å
200	F	61.3	Low	54.5	Low	13 Å²	13	73.7 Å²	73.7	6%	0.057	36%	0.361	C	S	.	.	H	α-helix	trans	-61.3	-45.8	176.5	179.9	-93.6	0	0	0	112.6	I131 M135 H196 K197 N202 H203 M204 L227 Y231	I131-F200 HydrophobicContact CD1-CD2 4.03Å; I131-F200 HydrophobicContact CD1-CE2 4.38Å; I131-F200 HydrophobicContact CG1-CD2 4.4Å; M135-F200 HydrophobicContact CE-CE2 4.34Å; M135-F200 HydrophobicContact SD-CE2 3.67Å; M135-F200 HydrophobicContact SD-CZ 4.39Å; H196-F200 WeakPolarHBondContact O-CB 3.41Å; H196-F200 PolarHBondContact O-N 3.39Å; K197-F200 PolarHBondContact O-N 3.5Å; F200-N202 PolarHBondContact O-N 3.33Å; F200-H203 WeakPolarHBondContact O-CB 3.23Å; F200-H203 PolarHBondContact O-N 2.94Å; F200-M204 HydrophobicContact CD1-CG 4.06Å; F200-M204 HydrophobicContact CE1-CE 4.16Å; F200-M204 HydrophobicContact CE1-CG 3.57Å; F200-M204 HydrophobicContact CE1-SD 4.25Å; F200-M204 HydrophobicContact CE2-CG 4.33Å; F200-M204 HydrophobicContact CE2-SD 4.41Å; F200-M204 HydrophobicContact CZ-CE 3.92Å; F200-M204 HydrophobicContact CZ-CG 3.73Å; F200-M204 HydrophobicContact CZ-SD 3.84Å; F200-M204 WeakPolarHBondContact O-CG 3.32Å; F200-M204 PolarHBondContact O-N 3.36Å; F200-L227 HydrophobicContact CE1-CD2 4.08Å; F200-Y231 AromaticContact CD1-CE2 3.52Å; F200-Y231 HydrophobicContact CD1-CE2 3.52Å; F200-Y231 AromaticContact CD1-CZ 3.68Å; F200-Y231 WeakPolarHBondContact CD1-OH 3.38Å; F200-Y231 AromaticContact CE1-CE2 3.57Å; F200-Y231 HydrophobicContact CE1-CE2 3.57Å
201	I	63.3	Low	55.2	Low	14 Å²	14	73.2 Å²	73.2	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-37.7	178.6	-78.2	161.7	0	0	0	111.5	K197 K198 H203 M204 K205 L227 Y231 L236 I239	K197-I201 PolarHBondContact O-N 3.49Å; K198-I201 PolarHBondContact O-N 2.92Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 2.73Å; I201-M204 PolarHBondContact O-N 3.36Å; I201-K205 WeakPolarHBondContact O-CG 3.41Å; I201-K205 PolarHBondContact O-N 3.47Å; I201-L227 HydrophobicContact CG1-CD2 4.09Å; I201-Y231 HydrophobicContact CD1-CD1 4.32Å; I201-Y231 HydrophobicContact CD1-CE1 4.3Å; I201-L236 HydrophobicContact CD1-CD2 3.84Å; I201-I239 HydrophobicContact CD1-CD1 3.63Å; I201-I239 HydrophobicContact CD1-CG2 3.92Å
202	N	64	Low	56	Low	96 Å²	96	70.2 Å²	70.2	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-66.2	-33.3	173.3	-72.8	-5.2	0	0	0	112.3	K198 I199 F200 Y206	K198-N202 WeakPolarHBondContact O-CB 3.36Å; K198-N202 PolarHBondContact O-N 3.47Å; I199-N202 PolarHBondContact O-N 3.04Å; F200-N202 PolarHBondContact O-N 3.33Å; N202-Y206 WeakPolarHBondContact O-CB 3.36Å; N202-Y206 PolarHBondContact O-N 3Å
203	H	62.2	Low	56.5	Low	6 Å²	6	74.2 Å²	74.2	3%	0.028	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-46.3	170.6	-170.5	65.2	0	0	0	112.3	N124 L127 I131 I199 F200 I201 K205 Y206 Q207	N124-H203 PolarHBondContact OD1-ND1 3.48Å; N124-H203 VanDerWaalsContact OD1-ND1 3.16Å; L127-H203 HydrophobicContact CD2-CB 3.61Å; L127-H203 HydrophobicContact CG-CB 3.98Å; I131-H203 HydrophobicContact CD1-CB 4.02Å; I131-H203 WeakPolarHBondContact CD1-CD2 3.25Å; I199-H203 PolarHBondContact O-N 3.33Å; F200-H203 WeakPolarHBondContact O-CB 3.23Å; F200-H203 PolarHBondContact O-N 2.94Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 2.73Å; H203-K205 VanDerWaalsContact C-N 3.27Å; H203-K205 PolarHBondContact O-N 3.43Å; H203-Y206 PolarHBondContact O-N 3.28Å; H203-Y206 VanDerWaalsContact O-N 3.14Å; H203-Q207 PolarHBondContact CE1-NE2 3.49Å; H203-Q207 VanDerWaalsContact CE1-NE2 3.27Å; H203-Q207 PolarHBondContact NE2-NE2 2.66Å; H203-Q207 VanDerWaalsContact O-CG 3.29Å; H203-Q207 WeakPolarHBondContact O-CG 3.45Å; H203-Q207 PolarHBondContact O-N 3.39Å
204	M	61.8	Low	56.6	Low	19 Å²	19	76 Å²	76	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-35.9	179.2	-66.1	-72.4	-94.7	0	0	111.4	F200 I201 L208 I223 K226 L227	F200-M204 HydrophobicContact CD1-CG 4.06Å; F200-M204 HydrophobicContact CE1-CE 4.16Å; F200-M204 HydrophobicContact CE1-CG 3.57Å; F200-M204 HydrophobicContact CE1-SD 4.25Å; F200-M204 HydrophobicContact CE2-CG 4.33Å; F200-M204 HydrophobicContact CE2-SD 4.41Å; F200-M204 HydrophobicContact CZ-CE 3.92Å; F200-M204 HydrophobicContact CZ-CG 3.73Å; F200-M204 HydrophobicContact CZ-SD 3.84Å; F200-M204 WeakPolarHBondContact O-CG 3.32Å; F200-M204 PolarHBondContact O-N 3.36Å; I201-M204 PolarHBondContact O-N 3.36Å; M204-L208 WeakPolarHBondContact O-CG 3.41Å; M204-L208 PolarHBondContact O-N 3.11Å; M204-I223 HydrophobicContact CB-CG2 4.31Å; M204-I223 HydrophobicContact CE-CB 4.28Å; M204-I223 HydrophobicContact CE-CG1 4.41Å; M204-I223 HydrophobicContact CE-CG2 3.81Å; M204-I223 WeakPolarHBondContact CE-O 3.3Å; M204-I223 HydrophobicContact SD-CG2 4.33Å; M204-K226 HydrophobicContact CE-CB 4.06Å; M204-L227 HydrophobicContact CB-CD1 4.43Å; M204-L227 HydrophobicContact CB-CD2 4.49Å; M204-L227 HydrophobicContact CE-CD2 4.42Å; M204-L227 HydrophobicContact CE-CG 4.01Å; M204-L227 HydrophobicContact CG-CD2 4.33Å
205	K	63	Low	56.5	Low	76 Å²	76	75.5 Å²	75.5	33%	0.33	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-51.1	168.3	-73.3	177.8	175.6	-174.8	0	112.2	I201 H203 Q207 L208 D209	I201-K205 WeakPolarHBondContact O-CG 3.41Å; I201-K205 PolarHBondContact O-N 3.47Å; H203-K205 VanDerWaalsContact C-N 3.27Å; H203-K205 PolarHBondContact O-N 3.43Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.03Å; K205-L208 WeakPolarHBondContact O-CA 3.17Å; K205-L208 WeakPolarHBondContact O-CB 3.2Å; K205-L208 PolarHBondContact O-N 3.35Å; K205-D209 PolarHBondContact O-N 3.49Å
206	Y	66.4	Low	56.4	Low	77 Å²	77	73.4 Å²	73.4	30%	0.302	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-39.1	178.8	-178.6	-92	0	0	0	112.5	N124 N202 H203 L208 D209 Q210	N124-Y206 HydrophobicContact CB-CE1 4.49Å; N124-Y206 WeakPolarHBondContact ND2-CD1 3.26Å; N124-Y206 VanDerWaalsContact ND2-CD2 3.26Å; N124-Y206 WeakPolarHBondContact ND2-CD2 3.34Å; N124-Y206 WeakPolarHBondContact ND2-CE2 3.4Å; N124-Y206 WeakPolarHBondContact OD1-CD1 3.4Å; N202-Y206 WeakPolarHBondContact O-CB 3.36Å; N202-Y206 PolarHBondContact O-N 3Å; H203-Y206 PolarHBondContact O-N 3.28Å; H203-Y206 VanDerWaalsContact O-N 3.14Å; Y206-L208 VanDerWaalsContact C-N 3.32Å; Y206-L208 PolarHBondContact O-N 3.21Å; Y206-D209 PolarHBondContact O-N 3.32Å; Y206-Q210 HydrophobicContact CD1-CG 3.86Å; Y206-Q210 HydrophobicContact CE1-CG 3.41Å; Y206-Q210 VanDerWaalsContact CE1-CG 3.41Å; Y206-Q210 HydrophobicContact CE2-CG 4.3Å; Y206-Q210 HydrophobicContact CG-CG 4.46Å; Y206-Q210 VanDerWaalsContact O-CG 3.29Å; Y206-Q210 WeakPolarHBondContact O-CG 3.25Å; Y206-Q210 PolarHBondContact O-N 2.91Å; Y206-Q210 PolarHBondContact OH-OE1 2.8Å
207	Q	57	Low	56.5	Low	59 Å²	59	74.3 Å²	74.3	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-40.3	173.8	-67.8	-77.2	12.7	0	0	111.5	H203 K205 Q210 H211 I223	H203-Q207 PolarHBondContact CE1-NE2 3.49Å; H203-Q207 VanDerWaalsContact CE1-NE2 3.27Å; H203-Q207 PolarHBondContact NE2-NE2 2.66Å; H203-Q207 VanDerWaalsContact O-CG 3.29Å; H203-Q207 WeakPolarHBondContact O-CG 3.45Å; H203-Q207 PolarHBondContact O-N 3.39Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.03Å; Q207-Q210 PolarHBondContact O-N 2.78Å; Q207-H211 PolarHBondContact O-CD2 3.32Å; Q207-I223 HydrophobicContact CB-CD1 4.23Å
208	L	56.1	Low	56.5	Low	60 Å²	60	79 Å²	79	31%	0.314	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-44	172.7	-67.1	164.3	0	0	0	111.6	M204 K205 Y206 Q210 H211 R220 I223	M204-L208 WeakPolarHBondContact O-CG 3.41Å; M204-L208 PolarHBondContact O-N 3.11Å; K205-L208 WeakPolarHBondContact O-CA 3.17Å; K205-L208 WeakPolarHBondContact O-CB 3.2Å; K205-L208 PolarHBondContact O-N 3.35Å; Y206-L208 VanDerWaalsContact C-N 3.32Å; Y206-L208 PolarHBondContact O-N 3.21Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.08Å; L208-H211 PolarHBondContact O-N 3Å; L208-R220 HydrophobicContact CD2-CB 4.18Å; L208-R220 HydrophobicContact CD2-CG 4.14Å; L208-I223 HydrophobicContact CD1-CG2 4.07Å; L208-I223 HydrophobicContact CD2-CB 4.4Å; L208-I223 HydrophobicContact CD2-CD1 3.9Å; L208-I223 HydrophobicContact CD2-CG2 4.15Å; L208-I223 HydrophobicContact CG-CD1 4.15Å; L208-I223 HydrophobicContact CG-CG2 4.1Å
209	D	59.7	Low	56.3	Low	129 Å²	129	78 Å²	78	69%	0.69	40%	0.397	S	S	*	.	H	α-helix	trans	-68.1	-19.8	-179.7	-64.3	-31.1	0	0	0	113.7	K205 Y206	K205-D209 PolarHBondContact O-N 3.49Å; Y206-D209 PolarHBondContact O-N 3.32Å
210	Q	56.7	Low	56.4	Low	116 Å²	116	77.9 Å²	77.9	54%	0.542	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.1	175.5	-69.2	-62.3	-81.7	0	0	114	Y206 Q207 L208 D212	Y206-Q210 HydrophobicContact CD1-CG 3.86Å; Y206-Q210 HydrophobicContact CE1-CG 3.41Å; Y206-Q210 VanDerWaalsContact CE1-CG 3.41Å; Y206-Q210 HydrophobicContact CE2-CG 4.3Å; Y206-Q210 HydrophobicContact CG-CG 4.46Å; Y206-Q210 VanDerWaalsContact O-CG 3.29Å; Y206-Q210 WeakPolarHBondContact O-CG 3.25Å; Y206-Q210 PolarHBondContact O-N 2.91Å; Y206-Q210 PolarHBondContact OH-OE1 2.8Å; Q207-Q210 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.08Å; Q210-D212 PolarHBondContact O-N 2.94Å
211	H	52.8	Low	56.5	Low	84 Å²	84	81.7 Å²	81.7	39%	0.389	41%	0.409	S	S	.	.			trans	-93	93.7	-179.2	-91.3	-76.7	0	0	0	111.9	Q207 L208	Q207-H211 PolarHBondContact O-CD2 3.32Å; L208-H211 PolarHBondContact O-N 3Å
212	D	47.4	Very low	56.3	Low	150 Å²	150	86.1 Å²	86.1	80%	0.802	43%	0.433	S	S	*	.			trans	-46.6	152	166	-94.7	-35.4	0	0	0	112.3	Q210 H214	Q210-D212 PolarHBondContact O-N 2.94Å; D212-H214 PolarHBondContact O-N 3.18Å
213	E	48.1	Very low	55.9	Low	165 Å²	165	82.4 Å²	82.4	77%	0.771	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	24.1	-163.6	-57.7	-174.4	111.9	0	0	118.4
214	H	45.8	Very low	55.7	Low	120 Å²	120	83.1 Å²	83.1	56%	0.556	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	12	-170.4	-73.5	-9.6	0	0	0	116.1	D212 K324	D212-H214 PolarHBondContact O-N 3.18Å; H214-K324 PolarHBondContact CD2-NZ 2.93Å; H214-K324 VanDerWaalsContact CD2-NZ 3.34Å; H214-K324 PolarHBondContact NE2-NZ 2.97Å
215	S	49.6	Very low	56	Low	72 Å²	72	83.7 Å²	83.7	50%	0.503	43%	0.426	S	S	.	.	S	Bend	trans	-152.5	31	167.8	-167	0	0	0	0	112.3	T219	S215-T219 PolarHBondContact O-OG1 2.97Å
216	V	46.7	Very low	55.9	Low	46 Å²	46	84.6 Å²	84.6	28%	0.279	43%	0.43	S	S	.	.	H	α-helix	trans	-74.6	-48.8	-157.7	179.9	0	0	0	0	112.9	T219 R220	V216-T219 PolarHBondContact O-N 3.11Å; V216-R220 WeakPolarHBondContact O-CB 3.34Å; V216-R220 PolarHBondContact O-N 3.22Å
217	D	53.3	Low	55.6	Low	97 Å²	97	82.8 Å²	82.8	52%	0.519	43%	0.426	S	S	.	.	H	α-helix	trans	-69.6	-44.2	-163	-61	-53.6	0	0	0	114.3	T219 R220 Q221	D217-T219 PolarHBondContact O-N 3Å; D217-R220 PolarHBondContact O-N 3.22Å; D217-Q221 VanDerWaalsContact O-CB 3.31Å; D217-Q221 WeakPolarHBondContact O-CB 3.47Å; D217-Q221 VanDerWaalsContact O-CG 3.29Å; D217-Q221 WeakPolarHBondContact O-CG 3.45Å; D217-Q221 PolarHBondContact O-N 2.86Å
218	D	55.4	Low	55.9	Low	132 Å²	132	85.7 Å²	85.7	71%	0.706	44%	0.437	S	S	*	.	H	α-helix	trans	-61.8	-45	175.5	-70.8	-21.6	0	0	0	111.6	R220 Q221 L222	D218-R220 VanDerWaalsContact C-N 3.35Å; D218-R220 PolarHBondContact O-N 3.31Å; D218-Q221 PolarHBondContact O-N 3.17Å; D218-L222 VanDerWaalsContact O-CB 3.3Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 2.99Å
219	T	56	Low	56	Low	34 Å²	34	89.8 Å²	89.8	21%	0.209	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-41.5	-178.1	-43.6	0	0	0	0	110.7	S215 V216 D217 L222 I223	S215-T219 PolarHBondContact O-OG1 2.97Å; V216-T219 PolarHBondContact O-N 3.11Å; D217-T219 PolarHBondContact O-N 3Å; T219-L222 PolarHBondContact O-N 3.03Å; T219-I223 HydrophobicContact CG2-CD1 4.14Å; T219-I223 WeakPolarHBondContact O-CB 3.24Å; T219-I223 VanDerWaalsContact O-CG1 3.27Å; T219-I223 WeakPolarHBondContact O-CG1 3.16Å; T219-I223 PolarHBondContact O-N 3.24Å
220	R	57.9	Low	55.6	Low	71 Å²	71	86.2 Å²	86.2	27%	0.268	43%	0.434	S	S	.	.	H	α-helix	trans	-66.1	-47.8	175.8	-176.5	-178.6	-165	160.3	9.4	111.9	L208 V216 D217 D218 L222 I223 E224 L256	L208-R220 HydrophobicContact CD2-CB 4.18Å; L208-R220 HydrophobicContact CD2-CG 4.14Å; V216-R220 WeakPolarHBondContact O-CB 3.34Å; V216-R220 PolarHBondContact O-N 3.22Å; D217-R220 PolarHBondContact O-N 3.22Å; D218-R220 VanDerWaalsContact C-N 3.35Å; D218-R220 PolarHBondContact O-N 3.31Å; R220-L222 VanDerWaalsContact C-N 3.29Å; R220-L222 PolarHBondContact O-N 3.48Å; R220-I223 PolarHBondContact O-N 2.99Å; R220-E224 HydrophobicContact CG-CG 4.44Å; R220-E224 VanDerWaalsContact CG-OE1 3.25Å; R220-E224 WeakPolarHBondContact CG-OE1 3.43Å; R220-E224 IonicContact NE-OE1 3.12Å; R220-E224 PolarHBondContact NE-OE1 3.22Å; R220-E224 WeakPolarHBondContact O-CB 3.47Å; R220-E224 WeakPolarHBondContact O-CG 3.39Å; R220-E224 PolarHBondContact O-N 3.04Å; R220-L256 VanDerWaalsContact NE-CD1 3.32Å
221	Q	63.1	Low	55.5	Low	93 Å²	93	81.8 Å²	81.8	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-36.5	176.4	-74.9	-174.3	74.1	0	0	111.8	D217 D218 G225 N260	D217-Q221 VanDerWaalsContact O-CB 3.31Å; D217-Q221 WeakPolarHBondContact O-CB 3.47Å; D217-Q221 VanDerWaalsContact O-CG 3.29Å; D217-Q221 WeakPolarHBondContact O-CG 3.45Å; D217-Q221 PolarHBondContact O-N 2.86Å; D218-Q221 PolarHBondContact O-N 3.17Å; Q221-G225 WeakPolarHBondContact O-CA 3.43Å; Q221-G225 PolarHBondContact O-N 3.46Å; Q221-N260 PolarHBondContact OE1-ND2 2.84Å
222	L	59.5	Low	55.6	Low	107 Å²	107	80.8 Å²	80.8	56%	0.56	42%	0.415	S	S	*	.	H	α-helix	trans	-68	-40.7	174.2	-177.1	63.2	0	0	0	112.7	D218 T219 R220 K226	D218-L222 VanDerWaalsContact O-CB 3.3Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 2.99Å; T219-L222 PolarHBondContact O-N 3.03Å; R220-L222 VanDerWaalsContact C-N 3.29Å; R220-L222 PolarHBondContact O-N 3.48Å; L222-K226 WeakPolarHBondContact O-CG 3.4Å; L222-K226 PolarHBondContact O-N 2.69Å
223	I	56.3	Low	55.8	Low	18 Å²	18	78.4 Å²	78.4	9%	0.092	41%	0.405	C	S	.	.	H	α-helix	trans	-67.9	-45.2	176.6	-75.8	170.7	0	0	0	110.8	M204 Q207 L208 T219 R220 K226 L227	M204-I223 HydrophobicContact CB-CG2 4.31Å; M204-I223 HydrophobicContact CE-CB 4.28Å; M204-I223 HydrophobicContact CE-CG1 4.41Å; M204-I223 HydrophobicContact CE-CG2 3.81Å; M204-I223 WeakPolarHBondContact CE-O 3.3Å; M204-I223 HydrophobicContact SD-CG2 4.33Å; Q207-I223 HydrophobicContact CB-CD1 4.23Å; L208-I223 HydrophobicContact CD1-CG2 4.07Å; L208-I223 HydrophobicContact CD2-CB 4.4Å; L208-I223 HydrophobicContact CD2-CD1 3.9Å; L208-I223 HydrophobicContact CD2-CG2 4.15Å; L208-I223 HydrophobicContact CG-CD1 4.15Å; L208-I223 HydrophobicContact CG-CG2 4.1Å; T219-I223 HydrophobicContact CG2-CD1 4.14Å; T219-I223 WeakPolarHBondContact O-CB 3.24Å; T219-I223 VanDerWaalsContact O-CG1 3.27Å; T219-I223 WeakPolarHBondContact O-CG1 3.16Å; T219-I223 PolarHBondContact O-N 3.24Å; R220-I223 PolarHBondContact O-N 2.99Å; I223-K226 PolarHBondContact O-N 3.44Å; I223-L227 HydrophobicContact CG2-CD1 4.19Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 2.87Å
224	E	58.2	Low	56.2	Low	21 Å²	21	78.6 Å²	78.6	10%	0.098	40%	0.404	C	S	.	.	H	α-helix	trans	-70.6	-34.3	178	-70.9	-179.1	-158.7	0	0	112.4	R220 L227 K228 L256	R220-E224 HydrophobicContact CG-CG 4.44Å; R220-E224 VanDerWaalsContact CG-OE1 3.25Å; R220-E224 WeakPolarHBondContact CG-OE1 3.43Å; R220-E224 IonicContact NE-OE1 3.12Å; R220-E224 PolarHBondContact NE-OE1 3.22Å; R220-E224 WeakPolarHBondContact O-CB 3.47Å; R220-E224 WeakPolarHBondContact O-CG 3.39Å; R220-E224 PolarHBondContact O-N 3.04Å; E224-L227 PolarHBondContact O-N 2.85Å; E224-K228 WeakPolarHBondContact O-CB 3.25Å; E224-K228 VanDerWaalsContact O-CG 3.27Å; E224-K228 WeakPolarHBondContact O-CG 3.04Å; E224-K228 PolarHBondContact O-N 3.37Å; E224-L256 WeakPolarHBondContact OE1-CD1 3.43Å; E224-L256 VanDerWaalsContact OE2-CD1 3.25Å; E224-L256 WeakPolarHBondContact OE2-CD1 3.42Å
225	G	67.4	Low	56.7	Low	30 Å²	30	74.6 Å²	74.6	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-50.5	168.7	0	0	0	0	0	111.4	Q221 L227 K228 E229	Q221-G225 WeakPolarHBondContact O-CA 3.43Å; Q221-G225 PolarHBondContact O-N 3.46Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 2.86Å; G225-K228 CarbonylContact O-C 3.54Å; G225-K228 PolarHBondContact O-N 3.41Å; G225-K228 VanDerWaalsContact O-N 3.12Å; G225-E229 PolarHBondContact O-N 3.34Å
226	K	60.3	Low	56.8	Low	96 Å²	96	72.8 Å²	72.8	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-66.2	-28.6	177.2	-74.4	-179.6	177.9	-176.9	0	114.1	M204 L222 I223 H230	M204-K226 HydrophobicContact CE-CB 4.06Å; L222-K226 WeakPolarHBondContact O-CG 3.4Å; L222-K226 PolarHBondContact O-N 2.69Å; I223-K226 PolarHBondContact O-N 3.44Å; K226-H230 WeakPolarHBondContact O-CB 3.25Å; K226-H230 PolarHBondContact O-CD2 3.41Å; K226-H230 PolarHBondContact O-N 3.01Å
227	L	61.2	Low	57	Low	39 Å²	39	74.8 Å²	74.8	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-43.1	170.2	-74.4	165.5	0	0	0	111.1	F200 I201 M204 I223 E224 G225 H230 Y231	F200-L227 HydrophobicContact CE1-CD2 4.08Å; I201-L227 HydrophobicContact CG1-CD2 4.09Å; M204-L227 HydrophobicContact CB-CD1 4.43Å; M204-L227 HydrophobicContact CB-CD2 4.49Å; M204-L227 HydrophobicContact CE-CD2 4.42Å; M204-L227 HydrophobicContact CE-CG 4.01Å; M204-L227 HydrophobicContact CG-CD2 4.33Å; I223-L227 HydrophobicContact CG2-CD1 4.19Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 2.87Å; E224-L227 PolarHBondContact O-N 2.85Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 2.86Å; L227-H230 PolarHBondContact O-N 3.46Å; L227-Y231 HydrophobicContact CD2-CD2 4.19Å; L227-Y231 HydrophobicContact CD2-CE2 4.45Å; L227-Y231 PolarHBondContact O-N 3.16Å
228	K	62.7	Low	57.1	Low	120 Å²	120	77 Å²	77	52%	0.522	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-31.3	175.5	-71.8	167	-179.1	171.1	0	113.1	E224 G225	E224-K228 WeakPolarHBondContact O-CB 3.25Å; E224-K228 VanDerWaalsContact O-CG 3.27Å; E224-K228 WeakPolarHBondContact O-CG 3.04Å; E224-K228 PolarHBondContact O-N 3.37Å; G225-K228 CarbonylContact O-C 3.54Å; G225-K228 PolarHBondContact O-N 3.41Å; G225-K228 VanDerWaalsContact O-N 3.12Å
229	E	59	Low	56.9	Low	145 Å²	145	71.5 Å²	71.5	68%	0.678	36%	0.357	S	S	*	.	H	α-helix	trans	-74.9	-23.6	174.9	-76.8	-169.8	123.9	0	0	114.3	G225	G225-E229 PolarHBondContact O-N 3.34Å
230	H	50.8	Low	56.7	Low	54 Å²	54	71.1 Å²	71.1	25%	0.25	36%	0.355	C	S	.	.	H	α-helix	trans	-118.4	-12.7	-169.1	-69.7	-32.9	0	0	0	115.9	K226 L227	K226-H230 WeakPolarHBondContact O-CB 3.25Å; K226-H230 PolarHBondContact O-CD2 3.41Å; K226-H230 PolarHBondContact O-N 3.01Å; L227-H230 PolarHBondContact O-N 3.46Å
231	Y	53.6	Low	56.3	Low	24 Å²	24	74.4 Å²	74.4	9%	0.094	38%	0.378	C	S	.	.			trans	-134.3	130.9	-178	-65.2	-89.8	0	0	0	111.8	K197 F200 I201 L227 D235 I239	K197-Y231 HydrophobicContact CB-CE1 4.01Å; K197-Y231 HydrophobicContact CD-CE1 4.09Å; K197-Y231 HydrophobicContact CG-CE1 3.97Å; F200-Y231 AromaticContact CD1-CE2 3.52Å; F200-Y231 HydrophobicContact CD1-CE2 3.52Å; F200-Y231 AromaticContact CD1-CZ 3.68Å; F200-Y231 WeakPolarHBondContact CD1-OH 3.38Å; F200-Y231 AromaticContact CE1-CE2 3.57Å; F200-Y231 HydrophobicContact CE1-CE2 3.57Å; I201-Y231 HydrophobicContact CD1-CD1 4.32Å; I201-Y231 HydrophobicContact CD1-CE1 4.3Å; L227-Y231 HydrophobicContact CD2-CD2 4.19Å; L227-Y231 HydrophobicContact CD2-CE2 4.45Å; L227-Y231 PolarHBondContact O-N 3.16Å; Y231-D235 HydrophobicContact CD1-CB 4Å; Y231-I239 HydrophobicContact CD1-CD1 4.24Å; Y231-I239 HydrophobicContact CE1-CD1 4.31Å
232	S	56.4	Low	55.8	Low	63 Å²	63	72.8 Å²	72.8	44%	0.441	37%	0.372	S	S	.	.			trans	-72.1	157.8	169.7	-166.5	0	0	0	0	110.6	K234 D235 L236	S232-K234 PolarHBondContact O-N 3.39Å; S232-K234 VanDerWaalsContact O-N 3.1Å; S232-D235 WeakPolarHBondContact CA-OD2 3.21Å; S232-D235 WeakPolarHBondContact CB-OD2 3.36Å; S232-D235 PolarHBondContact N-OD2 3.3Å; S232-D235 WeakPolarHBondContact O-CB 3.46Å; S232-D235 PolarHBondContact O-N 3Å; S232-L236 PolarHBondContact O-N 3.23Å
233	V	51.1	Low	55.6	Low	99 Å²	99	71.9 Å²	71.9	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-55.1	-27.6	167.1	-177.2	0	0	0	0	111.2	N237	V233-N237 PolarHBondContact O-N 3.44Å
234	K	55.8	Low	55.5	Low	170 Å²	170	76.1 Å²	76.1	74%	0.739	40%	0.396	S	S	*	.	H	α-helix	trans	-68.5	-45.8	172.5	-67.9	-176.1	178.4	179.4	0	112.9	S232 L236 N237 E238	S232-K234 PolarHBondContact O-N 3.39Å; S232-K234 VanDerWaalsContact O-N 3.1Å; K234-L236 VanDerWaalsContact C-N 3.31Å; K234-L236 PolarHBondContact O-N 2.85Å; K234-N237 PolarHBondContact O-N 3.24Å; K234-E238 PolarHBondContact O-N 2.84Å
235	D	56.2	Low	55.3	Low	35 Å²	35	78.3 Å²	78.3	19%	0.187	41%	0.408	C	S	.	.	H	α-helix	trans	-58.2	-44.3	177.1	-65.3	-91.9	0	0	0	111.3	K197 Y231 S232 N237 E238 I239	K197-D235 IonicContact NZ-OD1 2.8Å; K197-D235 PolarHBondContact NZ-OD1 2.92Å; Y231-D235 HydrophobicContact CD1-CB 4Å; S232-D235 WeakPolarHBondContact CA-OD2 3.21Å; S232-D235 WeakPolarHBondContact CB-OD2 3.36Å; S232-D235 PolarHBondContact N-OD2 3.3Å; S232-D235 WeakPolarHBondContact O-CB 3.46Å; S232-D235 PolarHBondContact O-N 3Å; D235-N237 VanDerWaalsContact C-N 3.3Å; D235-N237 PolarHBondContact O-N 2.87Å; D235-E238 PolarHBondContact O-N 2.97Å; D235-E238 VanDerWaalsContact O-N 3.13Å; D235-I239 HydrophobicContact CB-CD1 4.31Å; D235-I239 WeakPolarHBondContact O-CB 3.34Å; D235-I239 VanDerWaalsContact O-CD1 3.23Å; D235-I239 WeakPolarHBondContact O-CD1 3.1Å; D235-I239 WeakPolarHBondContact O-CG1 3.1Å; D235-I239 PolarHBondContact O-N 3.48Å; D235-I239 VanDerWaalsContact O-N 3.15Å
236	L	52.5	Low	54.7	Low	35 Å²	35	77.8 Å²	77.8	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-59.9	-40	-178.7	-66.7	175	0	0	0	112.2	I201 S232 K234 I239 T240	I201-L236 HydrophobicContact CD1-CD2 3.84Å; S232-L236 PolarHBondContact O-N 3.23Å; K234-L236 VanDerWaalsContact C-N 3.31Å; K234-L236 PolarHBondContact O-N 2.85Å; L236-I239 PolarHBondContact O-N 3.15Å; L236-T240 PolarHBondContact O-N 3.44Å; L236-T240 PolarHBondContact O-OG1 3.43Å
237	N	50.9	Low	54.7	Low	88 Å²	88	80.3 Å²	80.3	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-67.3	-35.5	176.2	-70.4	-10.4	0	0	0	112.7	V233 K234 D235 I239 T246	V233-N237 PolarHBondContact O-N 3.44Å; K234-N237 PolarHBondContact O-N 3.24Å; D235-N237 VanDerWaalsContact C-N 3.3Å; D235-N237 PolarHBondContact O-N 2.87Å; N237-I239 VanDerWaalsContact C-N 3.27Å; N237-I239 PolarHBondContact O-N 3.36Å; N237-T246 VanDerWaalsContact OD1-CG2 3.23Å; N237-T246 WeakPolarHBondContact OD1-CG2 2.98Å
238	E	55.5	Low	54.8	Low	143 Å²	143	84.1 Å²	84.1	67%	0.668	43%	0.43	S	S	*	.	H	α-helix	trans	-75.1	-18.7	-179.3	-133	170.8	-138	0	0	113	K234 D235	K234-E238 PolarHBondContact O-N 2.84Å; D235-E238 PolarHBondContact O-N 2.97Å; D235-E238 VanDerWaalsContact O-N 3.13Å
239	I	50.5	Low	54.5	Low	16 Å²	16	80.3 Å²	80.3	8%	0.082	42%	0.415	C	S	.	.	H	α-helix	trans	-90.6	-32.8	-176.6	-72.6	165.8	0	0	0	111.7	K197 K198 I201 Y231 D235 L236 N237 N241	K197-I239 HydrophobicContact CB-CD1 3.66Å; K197-I239 HydrophobicContact CB-CG1 4.24Å; K197-I239 HydrophobicContact CD-CD1 4.11Å; K198-I239 WeakPolarHBondContact CE-O 3.29Å; K198-I239 HydrophobicContact CG-CG2 3.76Å; I201-I239 HydrophobicContact CD1-CD1 3.63Å; I201-I239 HydrophobicContact CD1-CG2 3.92Å; Y231-I239 HydrophobicContact CD1-CD1 4.24Å; Y231-I239 HydrophobicContact CE1-CD1 4.31Å; D235-I239 HydrophobicContact CB-CD1 4.31Å; D235-I239 WeakPolarHBondContact O-CB 3.34Å; D235-I239 VanDerWaalsContact O-CD1 3.23Å; D235-I239 WeakPolarHBondContact O-CD1 3.1Å; D235-I239 WeakPolarHBondContact O-CG1 3.1Å; D235-I239 PolarHBondContact O-N 3.48Å; D235-I239 VanDerWaalsContact O-N 3.15Å; L236-I239 PolarHBondContact O-N 3.15Å; N237-I239 VanDerWaalsContact C-N 3.27Å; N237-I239 PolarHBondContact O-N 3.36Å; I239-N241 PolarHBondContact O-N 2.9Å
240	T	51.8	Low	54.5	Low	26 Å²	26	76.9 Å²	76.9	16%	0.16	40%	0.401	C	S	.	.			trans	-89.6	101.1	177.2	55.2	0	0	0	0	111.7	L236 N242 D245 T246 I249	L236-T240 PolarHBondContact O-N 3.44Å; L236-T240 PolarHBondContact O-OG1 3.43Å; T240-N242 PolarHBondContact O-N 2.73Å; T240-D245 HydrophobicContact CG2-CB 4.11Å; T240-T246 WeakPolarHBondContact OG1-CG2 3.48Å; T240-T246 PolarHBondContact OG1-OG1 3.24Å; T240-I249 HydrophobicContact CG2-CD1 4.22Å
241	N	50.3	Low	54.8	Low	141 Å²	141	76.9 Å²	76.9	75%	0.754	41%	0.407	S	S	*	.	S	Bend	trans	-64.5	-0.9	172.1	-74.2	34.8	0	0	0	114	K198 I239	K198-N241 PolarHBondContact NZ-OD1 3.07Å; I239-N241 PolarHBondContact O-N 2.9Å
242	N	51.9	Low	54.7	Low	58 Å²	58	78 Å²	78	31%	0.31	42%	0.416	S	S	.	.	S	Bend	trans	-131.8	117.2	-176.3	168.5	20.7	0	0	0	109.5	T240 N244 D245 T246	T240-N242 PolarHBondContact O-N 2.73Å; N242-N244 PolarHBondContact O-N 2.89Å; N242-N244 WeakPolarHBondContact OD1-CB 3.38Å; N242-N244 PolarHBondContact OD1-N 2.95Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N242-D245 WeakPolarHBondContact CB-OD2 3.47Å; N242-D245 PolarHBondContact ND2-OD1 2.69Å; N242-D245 PolarHBondContact ND2-OD2 2.79Å; N242-D245 VanDerWaalsContact ND2-OD2 3.08Å; N242-D245 PolarHBondContact O-N 2.9Å; N242-D245 VanDerWaalsContact O-N 3.14Å; N242-T246 PolarHBondContact O-N 2.9Å; N242-T246 PolarHBondContact O-OG1 3.27Å
243	P	54.7	Low	54.4	Low	89 Å²	89	77 Å²	77	58%	0.578	41%	0.406	S	S	*	.	H	α-helix	trans	-66.8	-17.6	-176.3	27.8	-35.5	0	0	0	113.8	T246 K247	P243-T246 WeakPolarHBondContact CA-OG1 3.43Å; P243-K247 WeakPolarHBondContact O-CB 3.43Å; P243-K247 WeakPolarHBondContact O-CG 3.28Å; P243-K247 PolarHBondContact O-N 3.1Å
244	N	54.1	Low	54.3	Low	106 Å²	106	76.9 Å²	76.9	57%	0.567	40%	0.402	S	S	*	.	H	α-helix	trans	-72.7	-35.1	174.8	-69.8	-16.6	0	0	0	111.6	N242 T246 K247 L248	N242-N244 PolarHBondContact O-N 2.89Å; N242-N244 WeakPolarHBondContact OD1-CB 3.38Å; N242-N244 PolarHBondContact OD1-N 2.95Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N244-T246 VanDerWaalsContact C-N 3.34Å; N244-K247 PolarHBondContact O-N 3.44Å; N244-L248 WeakPolarHBondContact O-CB 3.25Å; N244-L248 PolarHBondContact O-N 3.18Å
245	D	55	Low	54	Low	67 Å²	67	73.9 Å²	73.9	36%	0.358	39%	0.393	S	S	.	.	H	α-helix	trans	-67.2	-40	175.5	-59.1	-24.4	0	0	0	110.4	T240 N242 L248 I249	T240-D245 HydrophobicContact CG2-CB 4.11Å; N242-D245 WeakPolarHBondContact CB-OD2 3.47Å; N242-D245 PolarHBondContact ND2-OD1 2.69Å; N242-D245 PolarHBondContact ND2-OD2 2.79Å; N242-D245 VanDerWaalsContact ND2-OD2 3.08Å; N242-D245 PolarHBondContact O-N 2.9Å; N242-D245 VanDerWaalsContact O-N 3.14Å; D245-L248 PolarHBondContact O-N 3.15Å; D245-I249 WeakPolarHBondContact O-CB 3.29Å; D245-I249 WeakPolarHBondContact O-CD1 3.36Å; D245-I249 VanDerWaalsContact O-CG1 3.24Å; D245-I249 WeakPolarHBondContact O-CG1 3.35Å; D245-I249 PolarHBondContact O-N 3.46Å
246	T	54.7	Low	53.3	Low	19 Å²	19	74 Å²	74	12%	0.117	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-46.5	174.1	-18.8	0	0	0	0	111	N237 T240 N242 P243 N244 L248 I249 L250	N237-T246 VanDerWaalsContact OD1-CG2 3.23Å; N237-T246 WeakPolarHBondContact OD1-CG2 2.98Å; T240-T246 WeakPolarHBondContact OG1-CG2 3.48Å; T240-T246 PolarHBondContact OG1-OG1 3.24Å; N242-T246 PolarHBondContact O-N 2.9Å; N242-T246 PolarHBondContact O-OG1 3.27Å; P243-T246 WeakPolarHBondContact CA-OG1 3.43Å; N244-T246 VanDerWaalsContact C-N 3.34Å; T246-L248 PolarHBondContact O-N 2.96Å; T246-I249 PolarHBondContact O-N 3.3Å; T246-L250 HydrophobicContact CG2-CD1 4.16Å; T246-L250 WeakPolarHBondContact O-CD1 3.36Å; T246-L250 PolarHBondContact O-N 3.41Å
247	K	60.9	Low	52.9	Low	150 Å²	150	76 Å²	76	65%	0.652	41%	0.405	S	S	*	.	H	α-helix	trans	-59.7	-44.2	175	-80.9	-178.7	175.7	-176.7	0	112.3	P243 N244 I249 L250 S251	P243-K247 WeakPolarHBondContact O-CB 3.43Å; P243-K247 WeakPolarHBondContact O-CG 3.28Å; P243-K247 PolarHBondContact O-N 3.1Å; N244-K247 PolarHBondContact O-N 3.44Å; K247-I249 VanDerWaalsContact C-N 3.35Å; K247-I249 PolarHBondContact O-N 3.45Å; K247-L250 PolarHBondContact O-N 3.35Å; K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.39Å; K247-S251 PolarHBondContact O-OG 3.44Å
248	L	62.3	Low	52.4	Low	118 Å²	118	77.5 Å²	77.5	62%	0.618	41%	0.413	S	S	*	.	H	α-helix	trans	-63.1	-41.6	179.5	-162.3	77.7	0	0	0	111.5	N244 D245 T246 S251 T252	N244-L248 WeakPolarHBondContact O-CB 3.25Å; N244-L248 PolarHBondContact O-N 3.18Å; D245-L248 PolarHBondContact O-N 3.15Å; T246-L248 PolarHBondContact O-N 2.96Å; L248-S251 PolarHBondContact O-OG 2.89Å; L248-T252 WeakPolarHBondContact O-CB 3.44Å; L248-T252 PolarHBondContact O-N 3.13Å; L248-T252 PolarHBondContact O-OG1 3.43Å
249	I	55.8	Low	51.5	Low	40 Å²	40	78.8 Å²	78.8	21%	0.205	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-49	175	-68.7	164.1	0	0	0	110.5	T240 D245 T246 K247 S251 T252 I253	T240-I249 HydrophobicContact CG2-CD1 4.22Å; D245-I249 WeakPolarHBondContact O-CB 3.29Å; D245-I249 WeakPolarHBondContact O-CD1 3.36Å; D245-I249 VanDerWaalsContact O-CG1 3.24Å; D245-I249 WeakPolarHBondContact O-CG1 3.35Å; D245-I249 PolarHBondContact O-N 3.46Å; T246-I249 PolarHBondContact O-N 3.3Å; K247-I249 VanDerWaalsContact C-N 3.35Å; K247-I249 PolarHBondContact O-N 3.45Å; I249-S251 PolarHBondContact O-N 3.4Å; I249-T252 WeakPolarHBondContact O-CB 3.13Å; I249-T252 PolarHBondContact O-N 3.16Å; I249-I253 HydrophobicContact CG2-CD1 3.75Å; I249-I253 WeakPolarHBondContact O-CG1 3.35Å; I249-I253 PolarHBondContact O-N 3.48Å
250	L	59.8	Low	50.8	Low	74 Å²	74	83.5 Å²	83.5	39%	0.387	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-38.5	179.5	-90.8	80.4	0	0	0	113	T246 K247 T252 I253 N254	T246-L250 HydrophobicContact CG2-CD1 4.16Å; T246-L250 WeakPolarHBondContact O-CD1 3.36Å; T246-L250 PolarHBondContact O-N 3.41Å; K247-L250 PolarHBondContact O-N 3.35Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.1Å; L250-I253 PolarHBondContact O-N 3.23Å; L250-N254 WeakPolarHBondContact O-CB 3.47Å; L250-N254 PolarHBondContact O-N 3.26Å
251	S	56.2	Low	49.8	Very low	53 Å²	53	87.2 Å²	87.2	37%	0.371	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.7	62.9	0	0	0	0	111.5	K247 L248 I249 N254 N255	K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.39Å; K247-S251 PolarHBondContact O-OG 3.44Å; L248-S251 PolarHBondContact O-OG 2.89Å; I249-S251 PolarHBondContact O-N 3.4Å; S251-N254 PolarHBondContact O-N 3.29Å; S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.2Å; S251-N255 PolarHBondContact O-ND2 3.36Å
252	T	53.2	Low	48.8	Very low	47 Å²	47	86.8 Å²	86.8	29%	0.288	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-47.3	175.2	-57.5	0	0	0	0	111.2	L248 I249 L250 N255 L256	L248-T252 WeakPolarHBondContact O-CB 3.44Å; L248-T252 PolarHBondContact O-N 3.13Å; L248-T252 PolarHBondContact O-OG1 3.43Å; I249-T252 WeakPolarHBondContact O-CB 3.13Å; I249-T252 PolarHBondContact O-N 3.16Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.1Å; T252-N255 PolarHBondContact O-N 3.49Å; T252-L256 HydrophobicContact CG2-CD1 4.19Å; T252-L256 WeakPolarHBondContact O-CD1 3.36Å; T252-L256 WeakPolarHBondContact O-CG 3.27Å; T252-L256 PolarHBondContact O-N 2.94Å
253	I	48.5	Very low	47.9	Very low	44 Å²	44	90.8 Å²	90.8	23%	0.226	48%	0.484	C	S	.	.	H	α-helix	trans	-63.8	-42.1	178.6	-68.1	165.8	0	0	0	111.6	I249 L250 L256 N257	I249-I253 HydrophobicContact CG2-CD1 3.75Å; I249-I253 WeakPolarHBondContact O-CG1 3.35Å; I249-I253 PolarHBondContact O-N 3.48Å; L250-I253 PolarHBondContact O-N 3.23Å; I253-L256 PolarHBondContact O-N 3.3Å; I253-N257 PolarHBondContact O-N 2.94Å; I253-N257 PolarHBondContact O-ND2 3.05Å
254	N	50.7	Low	46.8	Very low	96 Å²	96	94.8 Å²	94.8	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-39.8	179	-81.7	-4.4	0	0	0	112.5	L250 S251 L256 N257	L250-N254 WeakPolarHBondContact O-CB 3.47Å; L250-N254 PolarHBondContact O-N 3.26Å; S251-N254 PolarHBondContact O-N 3.29Å; N254-L256 PolarHBondContact O-N 3.48Å; N254-N257 PolarHBondContact O-N 2.75Å
255	N	48.9	Very low	45.7	Very low	106 Å²	106	97 Å²	97	57%	0.567	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-32	178	-72.8	-9.6	0	0	0	112.2	S251 T252	S251-N255 WeakPolarHBondContact O-CB 3.49Å; S251-N255 PolarHBondContact O-N 3.2Å; S251-N255 PolarHBondContact O-ND2 3.36Å; T252-N255 PolarHBondContact O-N 3.49Å
256	L	42	Very low	44.7	Very low	37 Å²	37	102 Å²	102	19%	0.194	53%	0.528	C	S	.	.	H	α-helix	trans	-77.7	-33	179.3	-68	159.9	0	0	0	113.2	R220 E224 T252 I253 N254 N258 F259	R220-L256 VanDerWaalsContact NE-CD1 3.32Å; E224-L256 WeakPolarHBondContact OE1-CD1 3.43Å; E224-L256 VanDerWaalsContact OE2-CD1 3.25Å; E224-L256 WeakPolarHBondContact OE2-CD1 3.42Å; T252-L256 HydrophobicContact CG2-CD1 4.19Å; T252-L256 WeakPolarHBondContact O-CD1 3.36Å; T252-L256 WeakPolarHBondContact O-CG 3.27Å; T252-L256 PolarHBondContact O-N 2.94Å; I253-L256 PolarHBondContact O-N 3.3Å; N254-L256 PolarHBondContact O-N 3.48Å; L256-N258 PolarHBondContact O-N 3.37Å; L256-F259 PolarHBondContact O-N 3.47Å; L256-F259 VanDerWaalsContact O-N 3.1Å
257	N	43.8	Very low	43.5	Very low	79 Å²	79	110.3 Å²	110.3	42%	0.422	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-27.6	173.3	-67.1	-27.4	0	0	0	112.1	I253 N254	I253-N257 PolarHBondContact O-N 2.94Å; I253-N257 PolarHBondContact O-ND2 3.05Å; N254-N257 PolarHBondContact O-N 2.75Å
258	N	39.7	Very low	42.3	Very low	118 Å²	118	111.1 Å²	111.1	63%	0.631	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	176.6	-74.5	-3.8	0	0	0	114.4	L256	L256-N258 PolarHBondContact O-N 3.37Å
259	F	36.8	Very low	40.9	Very low	170 Å²	170	112.6 Å²	112.6	75%	0.746	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-23.4	176	-96	-86.4	0	0	0	113.1	L256 T261	L256-F259 PolarHBondContact O-N 3.47Å; L256-F259 VanDerWaalsContact O-N 3.1Å; F259-T261 PolarHBondContact O-N 2.67Å
260	N	36.3	Very low	39.9	Very low	115 Å²	115	116.2 Å²	116.2	62%	0.615	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	22.2	-175.6	-99.8	-4.4	0	0	0	114.6	Q221	Q221-N260 PolarHBondContact OE1-ND2 2.84Å
261	T	30.9	Very low	38.8	Very low	104 Å²	104	120.3 Å²	120.3	64%	0.638	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-8.9	179.1	48.4	0	0	0	0	115.4	F259	F259-T261 PolarHBondContact O-N 2.67Å
262	N	29.3	Very low	37.8	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	65%	0.645	S	S	*	*	S	Bend	trans	-124	75.4	179.4	-70.8	-43	0	0	0	110.9
263	N	31.8	Very low	37.1	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	68%	0.678	S	S	*	*	S	Bend	trans	165.1	134.9	152	-88.3	3	0	0	0	108.3
264	E	31.2	Very low	36.7	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	71%	0.71	S	S	*	*			cis	-151.2	134.3	-7.2	-137.1	165.3	-166.6	0	0	108.1
265	N	31.7	Very low	36.2	Very low	153 Å²	153	139 Å²	139	82%	0.818	72%	0.719	S	S	*	*			trans	-89.3	152.7	171.6	-85.7	-62.5	0	0	0	109.7
266	Q	33.5	Very low	36.1	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	73%	0.734	S	S	*	*			trans	64.3	102	164.3	-68.7	169.9	-15.1	0	0	117.1
267	K	31	Very low	36.3	Very low	194 Å²	194	146.8 Å²	146.8	84%	0.843	77%	0.766	S	S	*	*			trans	-74.7	110.5	154.7	169.8	-154.9	170.8	-171.5	0	109.1
268	E	35.3	Very low	36.4	Very low	167 Å²	167	149.8 Å²	149.8	78%	0.78	78%	0.782	S	S	*	*			trans	-133.3	155.6	162.9	-66.8	-161.1	165.1	0	0	111.2
269	D	32.1	Very low	36.7	Very low	149 Å²	149	150.5 Å²	150.5	80%	0.797	79%	0.786	S	S	*	*			trans	-91.3	142.4	-168.5	-62.9	-68.7	0	0	0	112.8
270	P	34.6	Very low	37.3	Very low	117 Å²	117	148.5 Å²	148.5	76%	0.76	78%	0.783	S	S	*	*			trans	-94.4	121	-177.3	33.9	-32.6	0	0	0	113.8
271	I	37.2	Very low	37.9	Very low	160 Å²	160	149.1 Å²	149.1	82%	0.821	79%	0.786	S	S	*	*			trans	-150.7	114.4	152.1	-91.7	129.4	0	0	0	110.1
272	K	34.8	Very low	38.7	Very low	189 Å²	189	150.8 Å²	150.8	82%	0.822	79%	0.791	S	S	*	*			trans	29.3	124.4	146.7	-49.6	175.3	-175.9	-179.9	0	120.1
273	E	39.8	Very low	39.9	Very low	207 Å²	207	150.2 Å²	150.2	97%	0.967	79%	0.788	S	S	*	*				-145.7	172.3	125.6	-121.8	159	-143.9	0	0	109.9
274	D	40	Very low	40.8	Very low	169 Å²	169	149.7 Å²	149.7	90%	0.904	79%	0.785	S	S	*	*			trans	-142.2	155.8	-159.3	-174.5	21.2	0	0	0	111.5
275	G	39.9	Very low	41.5	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	77%	0.774	S	S	*	*			trans	100.5	140.5	178.2	0	0	0	0	0	115.6
276	T	46.6	Very low	42.5	Very low	143 Å²	143	143.4 Å²	143.4	88%	0.877	77%	0.77	S	S	*	*			trans	-113.7	149.7	177.4	-50.4	0	0	0	0	109.7
277	D	45.6	Very low	43.5	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	77%	0.766	S	S	*	*			trans	-66.7	157	174.1	-76.9	-58.4	0	0	0	114
278	D	46.3	Very low	44.5	Very low	142 Å²	142	139 Å²	139	76%	0.759	76%	0.762	S	S	*	*			trans	-87.2	161.4	179.9	-70.4	-55.3	0	0	0	114.6
279	N	47.1	Very low	45.3	Very low	133 Å²	133	139 Å²	139	71%	0.711	76%	0.761	S	S	*	*			trans	82.9	110.6	154.7	-52.2	-54	0	0	0	120.5
280	D	48.5	Very low	46	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	76%	0.764	S	S	*	*				53.9	123.2	119.5	-48.2	-15.9	0	0	0	121.1
281	N	48.9	Very low	46.6	Very low	128 Å²	128	142.3 Å²	142.3	68%	0.684	77%	0.767	S	S	*	*				175.6	134.2	89.5	-94.9	-84.2	0	0	0	112.7
282	N	47.3	Very low	47.3	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	77%	0.772	S	S	*	*			trans	68.3	153.6	137.5	-63	-10.1	0	0	0	121.9
283	D	55.7	Low	47.6	Very low	121 Å²	121	142.6 Å²	142.6	65%	0.647	77%	0.773	S	S	*	*			cis	-172.9	140.6	-21.5	-172.5	28.3	0	0	0	110.5
284	N	50.1	Low	48.1	Very low	132 Å²	132	141 Å²	141	71%	0.706	77%	0.765	S	S	*	*			trans	52.7	154.6	172.1	-54.7	-47.5	0	0	0	120
285	G	45.4	Very low	48.3	Very low	55 Å²	55	138.8 Å²	138.8	57%	0.567	75%	0.752	S	S	*	*			cis	177.9	169.3	-5.6	0	0	0	0	0	112.1
286	D	53.3	Low	48.4	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	76%	0.755	S	S	*	*				54.8	132.4	127.7	-49.2	-2.7	0	0	0	119.3
287	D	55.1	Low	48.1	Very low	134 Å²	134	143.5 Å²	143.5	72%	0.717	76%	0.756	S	S	*	*			cis	-156.1	165.4	4.8	-78	-37.4	0	0	0	111.2
288	D	52.2	Low	47.8	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	75%	0.754	S	S	*	*			trans	15.5	157.6	133.5	-53.4	-11.1	0	0	0	121.8
289	E	51	Low	47.3	Very low	165 Å²	165	148 Å²	148	77%	0.771	76%	0.759	S	S	*	*			cis	-165.9	-174.8	-14.4	-116	-165.7	158.8	0	0	109.8
290	E	46.5	Very low	46.9	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	77%	0.766	S	S	*	*			trans	75.7	142.7	155.2	-79.8	-178.7	168.7	0	0	122.6
291	D	48.2	Very low	46	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	77%	0.772	S	S	*	*			trans	-81.3	160.8	-175.4	-48.8	-74.5	0	0	0	114.2
292	E	50.2	Low	45.4	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	77%	0.771	S	S	*	*				-165.6	172.5	123.7	-113.7	-178	-152.3	0	0	112.3
293	D	43.1	Very low	44.7	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	78%	0.775	S	S	*	*			trans	-94.8	179.3	-162.2	-80.8	-61.7	0	0	0	116.3
294	E	48.4	Very low	43.7	Very low	173 Å²	173	149 Å²	149	81%	0.808	77%	0.774	S	S	*	*			trans	93.3	135.5	145.8	-94.1	-163.9	143.9	0	0	123.3
295	I	45.3	Very low	42.7	Very low	123 Å²	123	149.3 Å²	149.3	63%	0.631	78%	0.776	S	S	*	*			trans	77.4	94	148.3	-61.1	161.6	0	0	0	119.4
296	D	42.2	Very low	42	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	79%	0.785	S	S	*	*				56.6	144.2	121	-53.2	-26.3	0	0	0	124.9
297	D	39.2	Very low	41.1	Very low	167 Å²	167	153.3 Å²	153.3	89%	0.893	79%	0.787	S	S	*	*			trans	85	151.6	148.1	-83.3	-24.8	0	0	0	123.8
298	E	39.1	Very low	40.1	Very low	179 Å²	179	153.2 Å²	153.2	84%	0.836	79%	0.786	S	S	*	*			trans	70.5	81.1	160.5	-151.8	154.3	-136.3	0	0	121.7
299	Y	36.9	Very low	39.2	Very low	220 Å²	220	156.5 Å²	156.5	86%	0.863	79%	0.789	S	S	*	*				40.1	97	114	-138.6	-79.2	0	0	0	119.1
300	S	38.1	Very low	38.5	Very low	121 Å²	121	154 Å²	154	85%	0.846	79%	0.79	S	S	*	*			trans	-162.3	155.5	144	-88.8	0	0	0	0	113.4
301	E	30.7	Very low	38.4	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.822	79%	0.787	S	S	*	*			trans	-88.3	167.1	-179.4	-63.7	178.3	114.3	0	0	113.4
302	T	34.9	Very low	38.2	Very low	108 Å²	108	149.9 Å²	149.9	66%	0.663	77%	0.772	S	S	*	*			trans	108.8	129.2	145.2	74.4	0	0	0	0	118.8
303	H	32.4	Very low	38.1	Very low	175 Å²	175	145.3 Å²	145.3	81%	0.81	76%	0.76	S	S	*	*			trans	66.7	148	157.2	-55.7	-41.4	0	0	0	116.7
304	S	34.8	Very low	38.1	Very low	90 Å²	90	146.6 Å²	146.6	63%	0.629	75%	0.754	S	S	*	*			cis	-165.6	144.4	-4	37.2	0	0	0	0	111.3
305	N	28.7	Very low	38.3	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	74%	0.743	S	S	*	*			trans	58.9	178.5	155.8	-45.6	-3.9	0	0	0	115.8
306	E	31.7	Very low	38.6	Very low	166 Å²	166	146 Å²	146	78%	0.776	75%	0.746	S	S	*	*			cis	-151.6	-179.4	-2	-147	148.5	129.4	0	0	109.6
307	S	35	Very low	38.8	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	73%	0.733	S	S	*	*			trans	60.4	112.2	171.7	-165.6	0	0	0	0	116.7
308	L	34.3	Very low	39.5	Very low	132 Å²	132	139.1 Å²	139.1	69%	0.691	71%	0.714	S	S	*	*			cis	68.9	79	13.6	-138.4	178.3	0	0	0	114.7
309	Y	33.2	Very low	40.6	Very low	210 Å²	210	133.6 Å²	133.6	82%	0.824	69%	0.693	S	S	*	*				-173.2	170.2	120	-104.3	-72.1	0	0	0	112.3
310	S	36.1	Very low	41.2	Very low	112 Å²	112	126 Å²	126	78%	0.783	67%	0.665	S	S	*	*			trans	61.3	72.4	166.3	-61.5	0	0	0	0	119.2
311	I	43.6	Very low	42.1	Very low	155 Å²	155	124.7 Å²	124.7	80%	0.795	65%	0.649	S	S	*	*			trans	-121.3	119.4	147.4	-62.4	-179.3	0	0	0	108.6
312	D	44.4	Very low	43.7	Very low	96 Å²	96	123.4 Å²	123.4	51%	0.513	64%	0.641	S	S	.	*			trans	-64.3	123.3	-173.5	-175.8	-19.1	0	0	0	112.8	Y314 H315	D312-Y314 PolarHBondContact O-N 2.85Å; D312-Y314 WeakPolarHBondContact OD1-CB 3.45Å; D312-Y314 WeakPolarHBondContact OD1-CD2 3.39Å; D312-Y314 PolarHBondContact OD1-N 3.21Å; D312-H315 PolarHBondContact O-N 3.37Å; D312-H315 VanDerWaalsContact O-N 3.13Å
313	P	47.3	Very low	45.1	Very low	101 Å²	101	125.5 Å²	125.5	66%	0.656	64%	0.641	S	S	*	*	H	α-helix	trans	-52.8	-34.3	177.2	-27.7	35.5	0	0	0	114.6	H315 K316 L317	P313-H315 VanDerWaalsContact C-N 3.26Å; P313-H315 PolarHBondContact O-N 2.93Å; P313-K316 PolarHBondContact O-N 2.79Å; P313-K316 VanDerWaalsContact O-N 3.16Å; P313-L317 PolarHBondContact O-N 3.46Å
314	Y	43	Very low	46.4	Very low	184 Å²	184	122.3 Å²	122.3	72%	0.722	63%	0.625	S	S	*	*	H	α-helix	trans	-66.4	-27.7	-177.7	-70.1	-76.7	0	0	0	112.6	D312 L317 S318	D312-Y314 PolarHBondContact O-N 2.85Å; D312-Y314 WeakPolarHBondContact OD1-CB 3.45Å; D312-Y314 WeakPolarHBondContact OD1-CD2 3.39Å; D312-Y314 PolarHBondContact OD1-N 3.21Å; Y314-L317 PolarHBondContact O-N 3.38Å; Y314-S318 WeakPolarHBondContact O-CB 3.47Å; Y314-S318 PolarHBondContact O-N 3.14Å
315	H	53.6	Low	47.6	Very low	127 Å²	127	121.9 Å²	121.9	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-70.4	-32.5	176.3	-160.3	-111	0	0	0	112.2	D312 P313 T319	D312-H315 PolarHBondContact O-N 3.37Å; D312-H315 VanDerWaalsContact O-N 3.13Å; P313-H315 VanDerWaalsContact C-N 3.26Å; P313-H315 PolarHBondContact O-N 2.93Å; H315-T319 WeakPolarHBondContact O-CG2 3.16Å; H315-T319 PolarHBondContact O-N 2.83Å; H315-T319 VanDerWaalsContact O-N 3.1Å; H315-T319 PolarHBondContact O-OG1 2.93Å
316	K	51.5	Low	49	Very low	157 Å²	157	121 Å²	121	68%	0.683	61%	0.614	S	S	*	*	H	α-helix	trans	-70	-37.7	174.3	-146.9	176.3	-175	-174.8	0	111.4	P313 T319 M320	P313-K316 PolarHBondContact O-N 2.79Å; P313-K316 VanDerWaalsContact O-N 3.16Å; K316-T319 WeakPolarHBondContact CA-OG1 3.46Å; K316-T319 PolarHBondContact O-OG1 2.96Å; K316-T319 VanDerWaalsContact O-OG1 3.07Å; K316-M320 WeakPolarHBondContact O-CG 3.49Å; K316-M320 PolarHBondContact O-N 3.32Å
317	L	45.3	Very low	50.1	Low	94 Å²	94	118.5 Å²	118.5	49%	0.492	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-42.9	174.6	-132.8	76.4	0	0	0	112.5	P313 Y314 M320 N321	P313-L317 PolarHBondContact O-N 3.46Å; Y314-L317 PolarHBondContact O-N 3.38Å; L317-M320 HydrophobicContact CD1-CE 3.83Å; L317-M320 PolarHBondContact O-N 3.3Å; L317-N321 WeakPolarHBondContact O-CB 3.1Å; L317-N321 PolarHBondContact O-N 2.92Å
318	S	54.7	Low	50.8	Low	70 Å²	70	116.6 Å²	116.6	49%	0.49	59%	0.592	S	S	.	*	H	α-helix	trans	-59.6	-46.8	176.1	-178.4	0	0	0	0	112	Y314 N321 K322	Y314-S318 WeakPolarHBondContact O-CB 3.47Å; Y314-S318 PolarHBondContact O-N 3.14Å; S318-N321 PolarHBondContact O-N 3.36Å; S318-K322 WeakPolarHBondContact O-CB 3.25Å; S318-K322 PolarHBondContact O-N 3.21Å
319	T	62.3	Low	51.7	Low	64 Å²	64	112.7 Å²	112.7	39%	0.393	58%	0.575	S	S	.	*	H	α-helix	trans	-68	-35.6	178.2	48.8	0	0	0	0	113.1	H315 K316 K323	H315-T319 WeakPolarHBondContact O-CG2 3.16Å; H315-T319 PolarHBondContact O-N 2.83Å; H315-T319 VanDerWaalsContact O-N 3.1Å; H315-T319 PolarHBondContact O-OG1 2.93Å; K316-T319 WeakPolarHBondContact CA-OG1 3.46Å; K316-T319 PolarHBondContact O-OG1 2.96Å; K316-T319 VanDerWaalsContact O-OG1 3.07Å; T319-K323 PolarHBondContact O-N 3.16Å
320	M	49.8	Very low	52.7	Low	59 Å²	59	110.3 Å²	110.3	29%	0.291	57%	0.569	S	S	.	*	H	α-helix	trans	-65.1	-44.6	171.1	-77.1	-164.8	-65.7	0	0	113	K316 L317 K322 K323 K324	K316-M320 WeakPolarHBondContact O-CG 3.49Å; K316-M320 PolarHBondContact O-N 3.32Å; L317-M320 HydrophobicContact CD1-CE 3.83Å; L317-M320 PolarHBondContact O-N 3.3Å; M320-K322 VanDerWaalsContact C-N 3.31Å; M320-K322 PolarHBondContact O-N 3.32Å; M320-K323 WeakPolarHBondContact O-CB 3.27Å; M320-K323 PolarHBondContact O-N 3.08Å; M320-K324 PolarHBondContact O-N 3.44Å
321	N	56.7	Low	53.3	Low	94 Å²	94	111.9 Å²	111.9	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-36.7	177.7	-76.2	-24	0	0	0	111.8	L317 S318 K324 S325	L317-N321 WeakPolarHBondContact O-CB 3.1Å; L317-N321 PolarHBondContact O-N 2.92Å; S318-N321 PolarHBondContact O-N 3.36Å; N321-K324 PolarHBondContact O-N 3.42Å; N321-S325 WeakPolarHBondContact O-CB 3.46Å; N321-S325 PolarHBondContact O-N 3.11Å
322	K	64.6	Low	53.5	Low	149 Å²	149	110.7 Å²	110.7	65%	0.648	55%	0.553	S	S	*	*	H	α-helix	trans	-65.5	-37.6	173.4	-154.9	166.9	-172.7	173.5	0	112.3	S318 M320 M326	S318-K322 WeakPolarHBondContact O-CB 3.25Å; S318-K322 PolarHBondContact O-N 3.21Å; M320-K322 VanDerWaalsContact C-N 3.31Å; M320-K322 PolarHBondContact O-N 3.32Å; K322-M326 PolarHBondContact O-N 3.24Å; K322-M326 VanDerWaalsContact O-N 3.16Å
323	K	64.2	Low	53.7	Low	153 Å²	153	112.3 Å²	112.3	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-64.7	-48.3	170.2	-79.1	-176.8	176.2	-179.3	0	112.3	T319 M320 S325 M326 I327	T319-K323 PolarHBondContact O-N 3.16Å; M320-K323 WeakPolarHBondContact O-CB 3.27Å; M320-K323 PolarHBondContact O-N 3.08Å; K323-S325 VanDerWaalsContact C-N 3.32Å; K323-S325 PolarHBondContact O-N 3.04Å; K323-M326 PolarHBondContact O-N 3.25Å; K323-I327 WeakPolarHBondContact O-CG1 3.42Å; K323-I327 PolarHBondContact O-N 2.86Å
324	K	58.9	Low	53.6	Low	108 Å²	108	110.1 Å²	110.1	47%	0.47	55%	0.545	S	S	.	.	H	α-helix	trans	-58.7	-41.9	177.4	-79	179.2	179.5	168.8	0	112	H214 M320 N321 I327 S328	H214-K324 PolarHBondContact CD2-NZ 2.93Å; H214-K324 VanDerWaalsContact CD2-NZ 3.34Å; H214-K324 PolarHBondContact NE2-NZ 2.97Å; M320-K324 PolarHBondContact O-N 3.44Å; N321-K324 PolarHBondContact O-N 3.42Å; K324-I327 PolarHBondContact O-N 3.49Å; K324-S328 PolarHBondContact O-N 3.43Å
325	S	61.3	Low	53.8	Low	80 Å²	80	105.5 Å²	105.5	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-58.6	-47.8	173.5	177	0	0	0	0	112.6	N321 K323 I327 S328 S329	N321-S325 WeakPolarHBondContact O-CB 3.46Å; N321-S325 PolarHBondContact O-N 3.11Å; K323-S325 VanDerWaalsContact C-N 3.32Å; K323-S325 PolarHBondContact O-N 3.04Å; S325-I327 VanDerWaalsContact C-N 3.32Å; S325-I327 PolarHBondContact O-N 2.88Å; S325-S328 PolarHBondContact O-N 3.36Å; S325-S329 PolarHBondContact O-N 2.78Å; S325-S329 PolarHBondContact O-OG 2.79Å
326	M	57	Low	53.8	Low	121 Å²	121	105.4 Å²	105.4	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-67.8	-26.2	177	-77	-172.6	161.8	0	0	114.4	K322 K323 S329 K330	K322-M326 PolarHBondContact O-N 3.24Å; K322-M326 VanDerWaalsContact O-N 3.16Å; K323-M326 PolarHBondContact O-N 3.25Å; M326-S329 PolarHBondContact O-OG 3.27Å; M326-K330 VanDerWaalsContact O-CG 3.32Å; M326-K330 WeakPolarHBondContact O-CG 3.37Å; M326-K330 PolarHBondContact O-N 2.85Å
327	I	54.4	Low	53.8	Low	113 Å²	113	103.3 Å²	103.3	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-75.4	-44.5	173.7	-68.8	164.7	0	0	0	109.9	K323 K324 S325 S329 K330 F331	K323-I327 WeakPolarHBondContact O-CG1 3.42Å; K323-I327 PolarHBondContact O-N 2.86Å; K324-I327 PolarHBondContact O-N 3.49Å; S325-I327 VanDerWaalsContact C-N 3.32Å; S325-I327 PolarHBondContact O-N 2.88Å; I327-S329 PolarHBondContact O-N 3.35Å; I327-K330 PolarHBondContact O-N 2.72Å; I327-F331 PolarHBondContact O-N 3.43Å
328	S	51.2	Low	54.2	Low	69 Å²	69	104.7 Å²	104.7	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-60.5	-46.6	178.2	-160.3	0	0	0	0	112	K324 S325 K330 F331 E332	K324-S328 PolarHBondContact O-N 3.43Å; S325-S328 PolarHBondContact O-N 3.36Å; S328-K330 VanDerWaalsContact C-N 3.32Å; S328-K330 PolarHBondContact O-N 2.93Å; S328-F331 WeakPolarHBondContact O-CB 3.18Å; S328-F331 PolarHBondContact O-N 2.99Å; S328-F331 VanDerWaalsContact O-N 3.08Å; S328-E332 PolarHBondContact O-N 2.95Å; S328-E332 VanDerWaalsContact O-N 3.15Å
329	S	52.7	Low	54.4	Low	50 Å²	50	110.3 Å²	110.3	35%	0.35	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-31.8	179.5	68.8	0	0	0	0	113	S325 M326 I327 H333	S325-S329 PolarHBondContact O-N 2.78Å; S325-S329 PolarHBondContact O-OG 2.79Å; M326-S329 PolarHBondContact O-OG 3.27Å; I327-S329 PolarHBondContact O-N 3.35Å; S329-H333 PolarHBondContact O-N 2.99Å; S329-H333 PolarHBondContact O-ND1 2.67Å
330	K	54.7	Low	54.6	Low	161 Å²	161	111.5 Å²	111.5	70%	0.7	55%	0.55	S	S	*	*	H	α-helix	trans	-65.2	-39.7	170.4	-78.6	178.8	177.4	-175.1	0	112	M326 I327 S328 E332 H333 S334	M326-K330 VanDerWaalsContact O-CG 3.32Å; M326-K330 WeakPolarHBondContact O-CG 3.37Å; M326-K330 PolarHBondContact O-N 2.85Å; I327-K330 PolarHBondContact O-N 2.72Å; S328-K330 VanDerWaalsContact C-N 3.32Å; S328-K330 PolarHBondContact O-N 2.93Å; K330-E332 VanDerWaalsContact C-N 3.33Å; K330-E332 PolarHBondContact O-N 3.03Å; K330-H333 PolarHBondContact O-N 2.96Å; K330-S334 PolarHBondContact O-N 3.3Å; K330-S334 VanDerWaalsContact O-N 3.08Å; K330-S334 PolarHBondContact O-OG 2.87Å
331	F	47.5	Very low	55.3	Low	145 Å²	145	116.8 Å²	116.8	64%	0.636	57%	0.568	S	S	*	*	H	α-helix	trans	-66.3	-34.7	-179	-148.8	-95.1	0	0	0	112.6	I327 S328 S334 N335	I327-F331 PolarHBondContact O-N 3.43Å; S328-F331 WeakPolarHBondContact O-CB 3.18Å; S328-F331 PolarHBondContact O-N 2.99Å; S328-F331 VanDerWaalsContact O-N 3.08Å; F331-S334 WeakPolarHBondContact CA-OG 3.41Å; F331-S334 PolarHBondContact O-OG 2.92Å; F331-N335 PolarHBondContact O-N 3.12Å; F331-N335 PolarHBondContact O-ND2 3.02Å
332	E	48.6	Very low	55.6	Low	129 Å²	129	118.2 Å²	118.2	60%	0.603	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-48.5	173	-68.8	174.8	146	0	0	111.4	S328 K330 S334 N335 E336	S328-E332 PolarHBondContact O-N 2.95Å; S328-E332 VanDerWaalsContact O-N 3.15Å; K330-E332 VanDerWaalsContact C-N 3.33Å; K330-E332 PolarHBondContact O-N 3.03Å; E332-S334 VanDerWaalsContact C-N 3.27Å; E332-S334 PolarHBondContact O-N 2.99Å; E332-N335 PolarHBondContact O-N 3.04Å; E332-E336 PolarHBondContact O-N 3.41Å
333	H	49.2	Very low	55.9	Low	131 Å²	131	114.9 Å²	114.9	61%	0.606	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-29	178.2	-73	76.3	0	0	0	113.3	S329 K330 N337	S329-H333 PolarHBondContact O-N 2.99Å; S329-H333 PolarHBondContact O-ND1 2.67Å; K330-H333 PolarHBondContact O-N 2.96Å; H333-N337 PolarHBondContact O-N 2.89Å; H333-N337 PolarHBondContact O-ND2 3.39Å
334	S	44.6	Very low	56.3	Low	55 Å²	55	114.7 Å²	114.7	39%	0.385	56%	0.563	S	S	.	*	H	α-helix	trans	-69.8	-32.5	171.1	42	0	0	0	0	113.7	K330 F331 E332 H338	K330-S334 PolarHBondContact O-N 3.3Å; K330-S334 VanDerWaalsContact O-N 3.08Å; K330-S334 PolarHBondContact O-OG 2.87Å; F331-S334 WeakPolarHBondContact CA-OG 3.41Å; F331-S334 PolarHBondContact O-OG 2.92Å; E332-S334 VanDerWaalsContact C-N 3.27Å; E332-S334 PolarHBondContact O-N 2.99Å; S334-H338 PolarHBondContact O-N 3.38Å; S334-H338 VanDerWaalsContact O-N 3.16Å
335	N	47.6	Very low	57	Low	86 Å²	86	114 Å²	114	46%	0.46	56%	0.561	S	S	.	*	H	α-helix	trans	-72.8	-36.8	178.8	-83.3	-77.1	0	0	0	112.4	F331 E332 N337 H338 R339	F331-N335 PolarHBondContact O-N 3.12Å; F331-N335 PolarHBondContact O-ND2 3.02Å; E332-N335 PolarHBondContact O-N 3.04Å; N335-N337 VanDerWaalsContact C-N 3.35Å; N335-N337 PolarHBondContact O-N 2.81Å; N335-H338 PolarHBondContact O-N 2.96Å; N335-R339 PolarHBondContact O-N 3.34Å
336	E	53.6	Low	57.6	Low	126 Å²	126	115.1 Å²	115.1	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-60.1	-44.5	174.9	-145.9	77.8	-97.4	0	0	111.7	E332 R339 T340	E332-E336 PolarHBondContact O-N 3.41Å; E336-R339 PolarHBondContact O-N 2.85Å; E336-T340 PolarHBondContact O-N 2.94Å; E336-T340 PolarHBondContact O-OG1 2.81Å; E336-T340 VanDerWaalsContact O-OG1 3.06Å
337	N	51	Low	58.5	Low	113 Å²	113	114.2 Å²	114.2	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-65.3	-42.4	177.4	-77.2	-60.2	0	0	0	112.2	H333 N335 R339 T340 Y341	H333-N337 PolarHBondContact O-N 2.89Å; H333-N337 PolarHBondContact O-ND2 3.39Å; N335-N337 VanDerWaalsContact C-N 3.35Å; N335-N337 PolarHBondContact O-N 2.81Å; N337-R339 VanDerWaalsContact C-N 3.34Å; N337-R339 PolarHBondContact O-N 3.36Å; N337-T340 PolarHBondContact O-N 2.94Å; N337-Y341 WeakPolarHBondContact O-CB 3.29Å; N337-Y341 PolarHBondContact O-N 3.21Å
338	H	53.4	Low	59.4	Low	123 Å²	123	113.7 Å²	113.7	57%	0.569	55%	0.546	S	S	*	.	H	α-helix	trans	-62.6	-39.1	176.2	-114.3	-73.2	0	0	0	112.5	S334 N335 H342	S334-H338 PolarHBondContact O-N 3.38Å; S334-H338 VanDerWaalsContact O-N 3.16Å; N335-H338 PolarHBondContact O-N 2.96Å; H338-H342 AromaticContact ND1-CD2 3.91Å; H338-H342 AromaticContact ND1-NE2 3.84Å; H338-H342 PolarHBondContact O-CD2 3.39Å; H338-H342 VanDerWaalsContact O-CD2 3.24Å; H338-H342 PolarHBondContact O-N 3.19Å
339	R	59.1	Low	60.4	Low	188 Å²	188	115.2 Å²	115.2	71%	0.709	55%	0.546	S	S	*	.	H	α-helix	trans	-64.1	-46.5	174.4	-76.4	-176.2	170.8	-152.4	-1.8	112.1	N335 E336 N337 Y341 H342 S343	N335-R339 PolarHBondContact O-N 3.34Å; E336-R339 PolarHBondContact O-N 2.85Å; N337-R339 VanDerWaalsContact C-N 3.34Å; N337-R339 PolarHBondContact O-N 3.36Å; R339-Y341 VanDerWaalsContact C-N 3.34Å; R339-Y341 PolarHBondContact O-N 3.45Å; R339-H342 PolarHBondContact O-N 2.83Å; R339-S343 WeakPolarHBondContact O-CB 3.36Å; R339-S343 PolarHBondContact O-N 2.89Å
340	T	66.9	Low	61.2	Low	89 Å²	89	116.9 Å²	116.9	55%	0.546	55%	0.548	S	S	.	.	H	α-helix	trans	-61	-43.5	178.5	-59.2	0	0	0	0	111.2	E336 N337 S343 Y344	E336-T340 PolarHBondContact O-N 2.94Å; E336-T340 PolarHBondContact O-OG1 2.81Å; E336-T340 VanDerWaalsContact O-OG1 3.06Å; N337-T340 PolarHBondContact O-N 2.94Å; T340-S343 PolarHBondContact O-N 2.92Å; T340-Y344 PolarHBondContact O-N 3.47Å
341	Y	64.4	Low	62	Low	170 Å²	170	114.2 Å²	114.2	67%	0.667	54%	0.538	S	S	*	.	H	α-helix	trans	-65	-43.7	177.8	-162	-94.5	0	0	0	112.6	N337 R339 Y344 H345	N337-Y341 WeakPolarHBondContact O-CB 3.29Å; N337-Y341 PolarHBondContact O-N 3.21Å; R339-Y341 VanDerWaalsContact C-N 3.34Å; R339-Y341 PolarHBondContact O-N 3.45Å; Y341-Y344 PolarHBondContact O-N 3.44Å; Y341-H345 WeakPolarHBondContact O-CB 3.49Å; Y341-H345 PolarHBondContact O-N 2.96Å
342	H	63.7	Low	63	Low	124 Å²	124	113.2 Å²	113.2	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-63.5	-40.1	174.8	-86	-65.5	0	0	0	112.9	H338 R339 H345 H346	H338-H342 AromaticContact ND1-CD2 3.91Å; H338-H342 AromaticContact ND1-NE2 3.84Å; H338-H342 PolarHBondContact O-CD2 3.39Å; H338-H342 VanDerWaalsContact O-CD2 3.24Å; H338-H342 PolarHBondContact O-N 3.19Å; R339-H342 PolarHBondContact O-N 2.83Å; H342-H345 PolarHBondContact O-N 3.48Å; H342-H346 VanDerWaalsContact O-CB 3.3Å; H342-H346 WeakPolarHBondContact O-CB 3.31Å; H342-H346 PolarHBondContact O-N 3.5Å
343	S	70.7	Confident	63.7	Low	78 Å²	78	112.9 Å²	112.9	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-49.3	175.5	-174	0	0	0	0	111.3	R339 T340 H345 H346 Q347	R339-S343 WeakPolarHBondContact O-CB 3.36Å; R339-S343 PolarHBondContact O-N 2.89Å; T340-S343 PolarHBondContact O-N 2.92Å; S343-H345 PolarHBondContact O-N 2.86Å; S343-H346 PolarHBondContact O-N 2.76Å; S343-Q347 WeakPolarHBondContact O-CB 3.4Å; S343-Q347 PolarHBondContact O-N 2.93Å
344	Y	71.3	Confident	64.2	Low	149 Å²	149	112.8 Å²	112.8	58%	0.584	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-39.8	-179.4	-147.9	-99.7	0	0	0	112.6	T340 Y341 Q347 Q348	T340-Y344 PolarHBondContact O-N 3.47Å; Y341-Y344 PolarHBondContact O-N 3.44Å; Y344-Q347 PolarHBondContact O-N 3.27Å; Y344-Q348 PolarHBondContact O-N 3.49Å; Y344-Q348 VanDerWaalsContact O-N 3.1Å
345	H	73.2	Confident	64.9	Low	93 Å²	93	116.3 Å²	116.3	43%	0.431	54%	0.544	S	S	.	.	H	α-helix	trans	-69.6	-37.3	176.4	-169.3	-76.6	0	0	0	112.4	Y341 H342 S343 Q348 Q349	Y341-H345 WeakPolarHBondContact O-CB 3.49Å; Y341-H345 PolarHBondContact O-N 2.96Å; H342-H345 PolarHBondContact O-N 3.48Å; S343-H345 PolarHBondContact O-N 2.86Å; H345-Q348 PolarHBondContact O-N 3.13Å; H345-Q349 PolarHBondContact O-N 3.24Å; H345-Q349 VanDerWaalsContact O-N 3.08Å
346	H	74.8	Confident	65.4	Low	105 Å²	105	118.6 Å²	118.6	49%	0.486	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-42.1	174.7	-172.6	71	0	0	0	111.3	H342 S343 Q348 Q349 Q350	H342-H346 VanDerWaalsContact O-CB 3.3Å; H342-H346 WeakPolarHBondContact O-CB 3.31Å; H342-H346 PolarHBondContact O-N 3.5Å; S343-H346 PolarHBondContact O-N 2.76Å; H346-Q348 VanDerWaalsContact C-N 3.35Å; H346-Q348 PolarHBondContact O-N 3.45Å; H346-Q349 PolarHBondContact O-N 3.33Å; H346-Q349 VanDerWaalsContact O-N 3.16Å; H346-Q350 PolarHBondContact CD2-NE2 2.72Å; H346-Q350 VanDerWaalsContact CD2-NE2 3.35Å; H346-Q350 PolarHBondContact NE2-NE2 2.67Å; H346-Q350 PolarHBondContact O-N 3.49Å
347	Q	76.2	Confident	65.5	Low	101 Å²	101	119.4 Å²	119.4	47%	0.472	56%	0.555	S	S	.	*	H	α-helix	trans	-60.8	-41	175.5	-165.8	176.6	21.8	0	0	112.2	S343 Y344 Q350 Q351	S343-Q347 WeakPolarHBondContact O-CB 3.4Å; S343-Q347 PolarHBondContact O-N 2.93Å; Y344-Q347 PolarHBondContact O-N 3.27Å; Q347-Q350 PolarHBondContact O-N 2.82Å; Q347-Q351 WeakPolarHBondContact O-CG 3.47Å; Q347-Q351 PolarHBondContact O-N 2.89Å; Q347-Q351 VanDerWaalsContact O-N 3.1Å
348	Q	73.4	Confident	65.5	Low	102 Å²	102	122.2 Å²	122.2	48%	0.477	56%	0.564	S	S	.	*	H	α-helix	trans	-66.3	-35.6	174	-74.4	-172.1	48.7	0	0	113.3	Y344 H345 H346 Q351 H352	Y344-Q348 PolarHBondContact O-N 3.49Å; Y344-Q348 VanDerWaalsContact O-N 3.1Å; H345-Q348 PolarHBondContact O-N 3.13Å; H346-Q348 VanDerWaalsContact C-N 3.35Å; H346-Q348 PolarHBondContact O-N 3.45Å; Q348-Q351 PolarHBondContact O-N 3.18Å; Q348-H352 PolarHBondContact O-N 3.41Å
349	Q	71.2	Confident	65.5	Low	101 Å²	101	123.8 Å²	123.8	47%	0.472	57%	0.572	S	S	.	*	H	α-helix	trans	-65.8	-39.4	173.5	-79.1	-171.5	-18	0	0	112.4	H345 H346 H352 Q353	H345-Q349 PolarHBondContact O-N 3.24Å; H345-Q349 VanDerWaalsContact O-N 3.08Å; H346-Q349 PolarHBondContact O-N 3.33Å; H346-Q349 VanDerWaalsContact O-N 3.16Å; Q349-H352 PolarHBondContact O-N 2.82Å; Q349-Q353 WeakPolarHBondContact O-CG 3.37Å; Q349-Q353 PolarHBondContact O-N 2.92Å; Q349-Q353 VanDerWaalsContact O-N 3.08Å
350	Q	71	Confident	65.1	Low	85 Å²	85	122.9 Å²	122.9	40%	0.397	58%	0.575	S	S	.	*	H	α-helix	trans	-62.4	-43.7	174.3	-68	-171.8	11.7	0	0	111.6	H346 Q347 H352 Q353 Q354	H346-Q350 PolarHBondContact CD2-NE2 2.72Å; H346-Q350 VanDerWaalsContact CD2-NE2 3.35Å; H346-Q350 PolarHBondContact NE2-NE2 2.67Å; H346-Q350 PolarHBondContact O-N 3.49Å; Q347-Q350 PolarHBondContact O-N 2.82Å; Q350-H352 PolarHBondContact O-N 3.25Å; Q350-Q353 PolarHBondContact O-N 3.25Å; Q350-Q354 WeakPolarHBondContact O-CG 3.39Å; Q350-Q354 PolarHBondContact O-N 3.46Å
351	Q	70.8	Confident	64.1	Low	106 Å²	106	127 Å²	127	50%	0.495	59%	0.588	S	S	.	*	H	α-helix	trans	-61.2	-42.5	176.5	-70.5	176.2	15.2	0	0	112.4	Q347 Q348 Q353 Q354 H355	Q347-Q351 WeakPolarHBondContact O-CG 3.47Å; Q347-Q351 PolarHBondContact O-N 2.89Å; Q347-Q351 VanDerWaalsContact O-N 3.1Å; Q348-Q351 PolarHBondContact O-N 3.18Å; Q351-Q353 PolarHBondContact O-N 2.8Å; Q351-Q354 PolarHBondContact O-N 2.81Å; Q351-H355 PolarHBondContact O-N 3.28Å
352	H	69.4	Low	63.4	Low	124 Å²	124	127 Å²	127	57%	0.574	59%	0.594	S	S	*	*	H	α-helix	trans	-62.3	-40.8	175.7	-105.2	83.7	0	0	0	112.8	Q348 Q349 Q350 H355 H356	Q348-H352 PolarHBondContact O-N 3.41Å; Q349-H352 PolarHBondContact O-N 2.82Å; Q350-H352 PolarHBondContact O-N 3.25Å; H352-H355 PolarHBondContact O-N 2.87Å; H352-H356 PolarHBondContact O-N 2.85Å; H352-H356 VanDerWaalsContact O-N 3.09Å
353	Q	61.6	Low	62.6	Low	121 Å²	121	130.2 Å²	130.2	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-41.3	177.6	-71.8	179.8	50.3	0	0	112	Q349 Q350 Q351 H356 Q357	Q349-Q353 WeakPolarHBondContact O-CG 3.37Å; Q349-Q353 PolarHBondContact O-N 2.92Å; Q349-Q353 VanDerWaalsContact O-N 3.08Å; Q350-Q353 PolarHBondContact O-N 3.25Å; Q351-Q353 PolarHBondContact O-N 2.8Å; Q353-H356 PolarHBondContact O-N 3.47Å; Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 2.92Å
354	Q	60.2	Low	61.3	Low	129 Å²	129	135.2 Å²	135.2	60%	0.603	62%	0.623	S	S	*	*	H	α-helix	trans	-61.8	-43.8	174.5	-68.7	176	17.7	0	0	111.6	Q350 Q351 H356 Q357	Q350-Q354 WeakPolarHBondContact O-CG 3.39Å; Q350-Q354 PolarHBondContact O-N 3.46Å; Q351-Q354 PolarHBondContact O-N 2.81Å; Q354-H356 VanDerWaalsContact C-N 3.32Å; Q354-H356 PolarHBondContact O-N 3.35Å; Q354-Q357 PolarHBondContact O-N 2.95Å
355	H	59.5	Low	60	Low	130 Å²	130	136.6 Å²	136.6	60%	0.602	64%	0.635	S	S	*	*	H	α-helix	trans	-65.4	-30.9	179.1	-118.7	-57.6	0	0	0	113.8	Q351 H352	Q351-H355 PolarHBondContact O-N 3.28Å; H352-H355 PolarHBondContact O-N 2.87Å
356	H	58.2	Low	58.8	Low	134 Å²	134	140 Å²	140	62%	0.62	65%	0.65	S	S	*	*	H	α-helix	trans	-78.3	-27.4	176.4	-78.3	11.4	0	0	0	113.7	H352 Q353 Q354	H352-H356 PolarHBondContact O-N 2.85Å; H352-H356 VanDerWaalsContact O-N 3.09Å; Q353-H356 PolarHBondContact O-N 3.47Å; Q354-H356 VanDerWaalsContact C-N 3.32Å; Q354-H356 PolarHBondContact O-N 3.35Å
357	Q	54.7	Low	57.5	Low	143 Å²	143	141.9 Å²	141.9	67%	0.668	66%	0.659	S	S	*	*	H	α-helix	trans	-71.2	-30.4	176.9	-71.7	-177.4	15.3	0	0	113	Q353 Q354	Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 2.92Å; Q354-Q357 PolarHBondContact O-N 2.95Å
358	H	52.9	Low	55.8	Low	172 Å²	172	145.6 Å²	145.6	80%	0.796	68%	0.676	S	S	*	*	H	α-helix	trans	-78.6	-21.7	-178.2	-115.6	55.4	0	0	0	115
359	H	52.5	Low	54.6	Low	155 Å²	155	149.1 Å²	149.1	72%	0.718	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-9	-176.8	-93.2	-66.1	0	0	0	115.5	H361	H359-H361 PolarHBondContact O-N 2.95Å
360	H	49.9	Very low	53	Low	170 Å²	170	152.6 Å²	152.6	79%	0.787	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	2.4	-169.3	-127.7	-51.7	0	0	0	115.9
361	H	47.6	Very low	51.8	Low	176 Å²	176	158.5 Å²	158.5	82%	0.815	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	5.1	-170.2	-94.8	85.3	0	0	0	116.4	H359	H359-H361 PolarHBondContact O-N 2.95Å
362	Q	49.8	Very low	50.4	Low	168 Å²	168	160.1 Å²	160.1	79%	0.785	74%	0.738	S	S	*	*			trans	-142.6	96	174.8	-68.5	-173.9	-4.8	0	0	111.5
363	H	46.5	Very low	49.5	Very low	192 Å²	192	162.5 Å²	162.5	89%	0.889	75%	0.754	S	S	*	*			trans	-177.7	64.3	152.1	-92.4	-48.7	0	0	0	112
364	H	42.6	Very low	48.5	Very low	183 Å²	183	164.1 Å²	164.1	85%	0.847	77%	0.767	S	S	*	*			trans	-126.7	133.7	161	-91	-70.1	0	0	0	109.4
365	H	44.6	Very low	47.8	Very low	179 Å²	179	167.2 Å²	167.2	83%	0.829	77%	0.774	S	S	*	*			trans	60.8	126.9	-162.5	-51.5	-66.7	0	0	0	112.3
366	H	47.5	Very low	47	Very low	164 Å²	164	164.3 Å²	164.3	76%	0.759	76%	0.763	S	S	*	*				-162.5	172.3	59	-154.4	43.2	0	0	0	113.2
367	H	47.7	Very low	46.9	Very low	145 Å²	145	166.9 Å²	166.9	67%	0.671	78%	0.778	S	S	*	*			trans	61.4	109	165.9	-104.9	-63.3	0	0	0	122.1
368	H	40.8	Very low	46.5	Very low	179 Å²	179	167.8 Å²	167.8	83%	0.829	79%	0.787	S	S	*	*			trans	-57.2	144.4	143.7	-74.2	-118.9	0	0	0	111.2
369	K	47.3	Very low	46.1	Very low	176 Å²	176	166.3 Å²	166.3	77%	0.765	78%	0.779	S	S	*	*			trans	-151.9	159.1	133.5	-114.7	168.2	-174.7	174.8	0	110.8
370	E	38	Very low	45.9	Very low	174 Å²	174	163.1 Å²	163.1	81%	0.813	77%	0.774	S	S	*	*			trans	-117.1	116.6	-149.6	177.7	179	-171.2	0	0	111.1
371	Y	45.3	Very low	46.4	Very low	208 Å²	208	165.1 Å²	165.1	82%	0.816	78%	0.78	S	S	*	*			trans	-141.9	117.1	172.2	-48	-72	0	0	0	108.1
372	D	41.8	Very low	47.2	Very low	140 Å²	140	164.7 Å²	164.7	75%	0.749	78%	0.776	S	S	*	*			trans	-100.1	103.2	-163.8	-171.2	12.9	0	0	0	112.6
373	L	51.5	Low	48.2	Very low	174 Å²	174	162.4 Å²	162.4	91%	0.911	78%	0.776	S	S	*	*			trans	-144.3	76.3	171.1	-77.7	-177.6	0	0	0	110.8	Y375	L373-Y375 PolarHBondContact O-N 3.14Å
374	N	40.5	Very low	49.5	Very low	155 Å²	155	164.9 Å²	164.9	83%	0.829	78%	0.777	S	S	*	*			trans	-86.8	89.6	-174.6	-151.2	-22.2	0	0	0	112.2
375	Y	44.5	Very low	51	Low	195 Å²	195	165.7 Å²	165.7	77%	0.765	78%	0.778	S	S	*	*			trans	-136.2	90.5	177.2	-154.1	-94.5	0	0	0	114.6	L373 M377	L373-Y375 PolarHBondContact O-N 3.14Å; Y375-M377 PolarHBondContact O-N 3.37Å
376	D	43.9	Very low	52.5	Low	69 Å²	69	162.6 Å²	162.6	37%	0.369	78%	0.777	S	S	.	*			trans	62.4	48.7	138.6	-155	-0.9	0	0	0	119.4	N378 K379	D376-N378 PolarHBondContact O-N 3.08Å; D376-K379 WeakPolarHBondContact OD2-CE 3.3Å; D376-K379 IonicContact OD2-NZ 2.6Å; D376-K379 PolarHBondContact OD2-NZ 2.85Å
377	M	54.7	Low	54.2	Low	188 Å²	188	166.3 Å²	166.3	93%	0.926	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	15	168.5	-77	-69	171.9	0	0	114.7	Y375 K379	Y375-M377 PolarHBondContact O-N 3.37Å; M377-K379 VanDerWaalsContact C-N 3.34Å
378	N	47.4	Very low	55.7	Low	161 Å²	161	163.9 Å²	163.9	86%	0.861	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	7.7	179.7	-84.6	-36.4	0	0	0	114.1	D376	D376-N378 PolarHBondContact O-N 3.08Å
379	K	44.1	Very low	58	Low	142 Å²	142	159.9 Å²	159.9	62%	0.617	78%	0.777	S	S	*	*			trans	-93	135.7	-175.5	-75.9	167	170.4	166.4	0	113.3	D376 M377	D376-K379 WeakPolarHBondContact OD2-CE 3.3Å; D376-K379 IonicContact OD2-NZ 2.6Å; D376-K379 PolarHBondContact OD2-NZ 2.85Å; M377-K379 VanDerWaalsContact C-N 3.34Å
380	S	48.9	Very low	60.3	Low	88 Å²	88	153.8 Å²	153.8	62%	0.615	75%	0.751	S	S	*	*			trans	91.4	22.8	161.6	88.9	0	0	0	0	121.4	K382	S380-K382 WeakPolarHBondContact O-CD 3.27Å; S380-K382 PolarHBondContact O-N 2.86Å
381	K	60.5	Low	63	Low	211 Å²	211	149.2 Å²	149.2	92%	0.917	74%	0.735	S	S	*	*			trans	-65.9	86.7	145.8	-78.8	-176.4	-179	173.3	0	108.4
382	K	63.7	Low	65.5	Low	168 Å²	168	145.9 Å²	145.9	73%	0.73	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-53.3	124	176.7	-79.2	81	169.9	-176.8	0	108.1	S380 R384	S380-K382 WeakPolarHBondContact O-CD 3.27Å; S380-K382 PolarHBondContact O-N 2.86Å; K382-R384 PolarHBondContact O-N 3.46Å
383	P	70.4	Confident	68	Low	120 Å²	120	145.1 Å²	145.1	78%	0.779	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-61.7	128	177.7	24.6	-32.6	0	0	0	108.9	K385	P383-K385 PolarHBondContact O-N 2.88Å
384	R	73.8	Confident	70.2	Confident	243 Å²	243	138.4 Å²	138.4	92%	0.917	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.8	131.2	168.6	-69.3	-178.6	173.8	-175.7	-2.9	106.9	K382 S386	K382-R384 PolarHBondContact O-N 3.46Å; R384-S386 PolarHBondContact O-N 2.89Å
385	K	73.8	Confident	72.9	Confident	200 Å²	200	133.8 Å²	133.8	87%	0.87	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-52.3	131.5	171.6	-91.1	85.3	169.8	-170.4	0	108	P383	P383-K385 PolarHBondContact O-N 2.88Å
386	S	76.3	Confident	75.4	Confident	115 Å²	115	129.2 Å²	129.2	80%	0.804	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-59.8	142.8	173.5	-166.8	0	0	0	0	109.3	R384 T388	R384-S386 PolarHBondContact O-N 2.89Å; S386-T388 PolarHBondContact O-N 3.46Å
387	R	83.1	Confident	78	Confident	241 Å²	241	128 Å²	128	91%	0.909	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-71.4	126.3	173	-72.3	-178.2	172.5	-179.5	-3	107.9	A389	R387-A389 PolarHBondContact O-N 3.04Å
388	T	79.2	Confident	80.1	Confident	94 Å²	94	119.1 Å²	119.1	58%	0.577	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.2	170.2	53.3	0	0	0	0	109	S386	S386-T388 PolarHBondContact O-N 3.46Å
389	A	89.7	Confident	82.5	Confident	95 Å²	95	114.8 Å²	114.8	79%	0.785	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-76.1	143.4	164.3	0	0	0	0	0	109.3	R387	R387-A389 PolarHBondContact O-N 3.04Å
390	F	94.6	Very high	85	Confident	49 Å²	49	112.8 Å²	112.8	22%	0.215	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-88.2	150.3	166.8	-58.4	-68.2	0	0	0	108.7	Q394 L395 L422 Q426 W430	F390-Q394 HydrophobicContact CB-CB 4.22Å; F390-L395 HydrophobicContact CB-CD2 3.84Å; F390-L395 HydrophobicContact CB-CG 3.89Å; F390-L395 HydrophobicContact CD2-CD2 4.12Å; F390-L395 HydrophobicContact CG-CD2 4.35Å; F390-L422 HydrophobicContact CD1-CD1 3.84Å; F390-L422 HydrophobicContact CD1-CD2 3.79Å; F390-L422 HydrophobicContact CD1-CG 4.5Å; F390-L422 HydrophobicContact CE1-CD1 3.76Å; F390-L422 HydrophobicContact CE1-CD2 3.78Å; F390-L422 HydrophobicContact CE1-CG 4.41Å; F390-Q426 HydrophobicContact CE1-CB 4.16Å; F390-Q426 HydrophobicContact CE1-CG 4.45Å; F390-Q426 HydrophobicContact CZ-CB 4.26Å; F390-W430 AromaticContact CD2-CD1 3.89Å; F390-W430 HydrophobicContact CE2-CB 4.4Å; F390-W430 AromaticContact CE2-CD1 3.67Å; F390-W430 HydrophobicContact CE2-CG 4.41Å; F390-W430 HydrophobicContact CZ-CB 4.45Å
391	T	96.3	Very high	87.2	Confident	77 Å²	77	111 Å²	111	47%	0.472	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-74.3	158.8	172.8	67.6	0	0	0	0	110.9	L393 Q394 L395	T391-L393 PolarHBondContact O-N 2.93Å; T391-Q394 WeakPolarHBondContact O-CB 3.4Å; T391-Q394 PolarHBondContact O-N 3.33Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.22Å; T391-Q394 PolarHBondContact OG1-N 3.22Å; T391-L395 WeakPolarHBondContact O-CG 3.3Å; T391-L395 PolarHBondContact O-N 2.84Å
392	D	95.9	Very high	89	Confident	139 Å²	139	101 Å²	101	74%	0.743	51%	0.508	S	S	*	.	H	α-helix	trans	-59.3	-32.8	177.9	-59.1	-53.3	0	0	0	112.4	L395 N396	D392-L395 PolarHBondContact O-N 3.42Å; D392-N396 VanDerWaalsContact O-CB 3.3Å; D392-N396 WeakPolarHBondContact O-CB 3.5Å; D392-N396 PolarHBondContact O-N 3.37Å
393	L	96.2	Very high	90.5	Very high	124 Å²	124	97.6 Å²	97.6	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-45.1	173.1	-179.9	62.6	0	0	0	112.1	T391 N396 E397	T391-L393 PolarHBondContact O-N 2.93Å; L393-N396 PolarHBondContact O-N 3.44Å; L393-E397 PolarHBondContact O-N 2.88Å; L393-E397 VanDerWaalsContact O-N 3.14Å
394	Q	97.5	Very high	91.7	Very high	32 Å²	32	99.3 Å²	99.3	15%	0.15	50%	0.495	C	S	.	.	H	α-helix	trans	-63.5	-43.4	175.1	-73.1	171	-27.3	0	0	111	F390 T391 L398 L420	F390-Q394 HydrophobicContact CB-CB 4.22Å; T391-Q394 WeakPolarHBondContact O-CB 3.4Å; T391-Q394 PolarHBondContact O-N 3.33Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.22Å; T391-Q394 PolarHBondContact OG1-N 3.22Å; Q394-L398 VanDerWaalsContact O-CB 3.27Å; Q394-L398 WeakPolarHBondContact O-CB 3.49Å; Q394-L398 WeakPolarHBondContact O-CD1 3.49Å; Q394-L398 WeakPolarHBondContact O-CG 3.13Å; Q394-L398 PolarHBondContact O-N 3.24Å; Q394-L420 HydrophobicContact CG-CB 4.41Å; Q394-L420 PolarHBondContact NE2-O 3.44Å
395	L	97.2	Very high	92.8	Very high	58 Å²	58	91.1 Å²	91.1	30%	0.304	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-43.8	177.4	-70.5	174.6	0	0	0	112	F390 T391 D392 L398 E399	F390-L395 HydrophobicContact CB-CD2 3.84Å; F390-L395 HydrophobicContact CB-CG 3.89Å; F390-L395 HydrophobicContact CD2-CD2 4.12Å; F390-L395 HydrophobicContact CG-CD2 4.35Å; T391-L395 WeakPolarHBondContact O-CG 3.3Å; T391-L395 PolarHBondContact O-N 2.84Å; D392-L395 PolarHBondContact O-N 3.42Å; L395-L398 PolarHBondContact O-N 3.19Å; L395-E399 WeakPolarHBondContact O-CG 3.29Å; L395-E399 PolarHBondContact O-N 3.5Å
396	N	97.1	Very high	93.8	Very high	100 Å²	100	83.9 Å²	83.9	54%	0.535	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-48.9	179.1	-173.6	24.1	0	0	0	111.9	D392 L393 L398 E399 K400	D392-N396 VanDerWaalsContact O-CB 3.3Å; D392-N396 WeakPolarHBondContact O-CB 3.5Å; D392-N396 PolarHBondContact O-N 3.37Å; L393-N396 PolarHBondContact O-N 3.44Å; N396-L398 VanDerWaalsContact C-N 3.35Å; N396-L398 PolarHBondContact O-N 2.8Å; N396-E399 PolarHBondContact O-N 3.03Å; N396-K400 WeakPolarHBondContact O-CB 3.26Å; N396-K400 PolarHBondContact O-N 3.27Å
397	E	97.2	Very high	94.9	Very high	44 Å²	44	84.3 Å²	84.3	21%	0.206	42%	0.42	C	S	.	.	H	α-helix	trans	-68.8	-31.2	177.3	-72.7	-64.9	131.1	0	0	112.8	L393 K400 M401 L420	L393-E397 PolarHBondContact O-N 2.88Å; L393-E397 VanDerWaalsContact O-N 3.14Å; E397-K400 VanDerWaalsContact OE1-CD 3.29Å; E397-K400 WeakPolarHBondContact OE1-CD 3.5Å; E397-K400 IonicContact OE1-NZ 3.2Å; E397-K400 PolarHBondContact OE1-NZ 3.04Å; E397-K400 IonicContact OE2-NZ 2.79Å; E397-K400 PolarHBondContact OE2-NZ 3.46Å; E397-M401 VanDerWaalsContact O-CB 3.28Å; E397-M401 WeakPolarHBondContact O-CB 3.3Å; E397-M401 PolarHBondContact O-N 2.88Å; E397-L420 HydrophobicContact CB-CD1 4.28Å; E397-L420 HydrophobicContact CB-CD2 3.7Å; E397-L420 HydrophobicContact CG-CD2 4.21Å
398	L	98.2	Very high	95.5	Very high	0 Å²	0	74 Å²	74	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-46.1	171.4	-75.4	165.9	0	0	0	112	Q394 L395 N396 F402 L416 L420 L422 V427 W430 Y431	Q394-L398 VanDerWaalsContact O-CB 3.27Å; Q394-L398 WeakPolarHBondContact O-CB 3.49Å; Q394-L398 WeakPolarHBondContact O-CD1 3.49Å; Q394-L398 WeakPolarHBondContact O-CG 3.13Å; Q394-L398 PolarHBondContact O-N 3.24Å; L395-L398 PolarHBondContact O-N 3.19Å; N396-L398 VanDerWaalsContact C-N 3.35Å; N396-L398 PolarHBondContact O-N 2.8Å; L398-F402 VanDerWaalsContact O-CB 3.25Å; L398-F402 WeakPolarHBondContact O-CB 3.44Å; L398-F402 PolarHBondContact O-N 3.34Å; L398-L416 HydrophobicContact CD2-CD2 4Å; L398-L416 HydrophobicContact CD2-CG 4.39Å; L398-L420 HydrophobicContact CD1-CD1 4.46Å; L398-L420 HydrophobicContact CD2-CD1 3.87Å; L398-L420 HydrophobicContact CG-CD1 3.67Å; L398-L422 HydrophobicContact CD1-CD1 4.11Å; L398-V427 HydrophobicContact CD2-CG1 4.33Å; L398-W430 VanDerWaalsContact C-CH2 3.41Å; L398-W430 HydrophobicContact CB-CD2 3.95Å; L398-W430 HydrophobicContact CB-CE3 4Å; L398-W430 HydrophobicContact CB-CH2 3.72Å; L398-W430 HydrophobicContact CB-CZ2 3.62Å; L398-W430 HydrophobicContact CB-CZ3 3.9Å; L398-W430 HydrophobicContact CD1-CD2 3.95Å; L398-W430 HydrophobicContact CD1-CG 3.9Å; L398-W430 HydrophobicContact CD2-CD2 4.21Å; L398-W430 HydrophobicContact CD2-CE3 4.05Å; L398-W430 HydrophobicContact CG-CD2 4.26Å; L398-W430 HydrophobicContact CG-CE3 4.43Å; L398-W430 WeakPolarHBondContact O-CH2 3.25Å; L398-Y431 HydrophobicContact CD2-CE2 4.15Å
399	E	97.8	Very high	96.3	Very high	71 Å²	71	72 Å²	72	33%	0.332	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-43.5	177.6	-70.2	-155.7	128.2	0	0	112.1	L395 N396 M401 F402 D403 W430 R434	L395-E399 WeakPolarHBondContact O-CG 3.29Å; L395-E399 PolarHBondContact O-N 3.5Å; N396-E399 PolarHBondContact O-N 3.03Å; E399-M401 PolarHBondContact O-N 3.4Å; E399-F402 WeakPolarHBondContact O-CB 3.24Å; E399-F402 PolarHBondContact O-N 2.93Å; E399-D403 WeakPolarHBondContact O-CB 3.33Å; E399-D403 PolarHBondContact O-N 3.08Å; E399-W430 HydrophobicContact CB-CH2 4.49Å; E399-W430 HydrophobicContact CG-CH2 3.84Å; E399-W430 HydrophobicContact CG-CZ2 3.57Å; E399-R434 IonicContact OE1-CZ 2.67Å; E399-R434 IonicContact OE1-NE 3.34Å; E399-R434 PolarHBondContact OE1-NE 3.4Å; E399-R434 IonicContact OE1-NH2 3.69Å
400	K	97.1	Very high	96.6	Very high	100 Å²	100	71.9 Å²	71.9	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-54.2	-50.6	171.4	174.7	-169.9	170.1	-158.5	0	111.7	N396 E397 D403 H404	N396-K400 WeakPolarHBondContact O-CB 3.26Å; N396-K400 PolarHBondContact O-N 3.27Å; E397-K400 VanDerWaalsContact OE1-CD 3.29Å; E397-K400 WeakPolarHBondContact OE1-CD 3.5Å; E397-K400 IonicContact OE1-NZ 3.2Å; E397-K400 PolarHBondContact OE1-NZ 3.04Å; E397-K400 IonicContact OE2-NZ 2.79Å; E397-K400 PolarHBondContact OE2-NZ 3.46Å; K400-D403 PolarHBondContact O-N 3.08Å; K400-H404 PolarHBondContact O-N 3.35Å; K400-H404 PolarHBondContact O-ND1 3.48Å
401	M	96.7	Very high	96.7	Very high	50 Å²	50	75.6 Å²	75.6	25%	0.246	38%	0.38	C	S	.	.	H	α-helix	trans	-67	-39.6	179.1	-170.4	62.7	75.1	0	0	111.7	E397 E399 D403 H404 Q405 L408 L416 Y431	E397-M401 VanDerWaalsContact O-CB 3.28Å; E397-M401 WeakPolarHBondContact O-CB 3.3Å; E397-M401 PolarHBondContact O-N 2.88Å; E399-M401 PolarHBondContact O-N 3.4Å; M401-D403 PolarHBondContact O-N 3.36Å; M401-H404 PolarHBondContact O-N 2.98Å; M401-H404 VanDerWaalsContact O-N 3.13Å; M401-Q405 PolarHBondContact O-N 3.37Å; M401-L408 HydrophobicContact CG-CD2 4.12Å; M401-L416 HydrophobicContact CB-CD1 4.36Å; M401-L416 HydrophobicContact CB-CD2 4.2Å; M401-L416 HydrophobicContact CG-CD1 4.44Å; M401-L416 HydrophobicContact CG-CD2 3.97Å; M401-Y431 WeakPolarHBondContact CB-OH 3.48Å; M401-Y431 WeakPolarHBondContact CG-OH 3.4Å
402	F	97.9	Very high	96.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-32.2	174.6	179.3	-94	0	0	0	112.6	L398 E399 Q405 K406 W430 Y431 R434 R435 W438	L398-F402 VanDerWaalsContact O-CB 3.25Å; L398-F402 WeakPolarHBondContact O-CB 3.44Å; L398-F402 PolarHBondContact O-N 3.34Å; E399-F402 WeakPolarHBondContact O-CB 3.24Å; E399-F402 PolarHBondContact O-N 2.93Å; F402-Q405 CarbonylContact O-C 3.48Å; F402-Q405 PolarHBondContact O-N 2.85Å; F402-K406 HydrophobicContact CD1-CD 3.94Å; F402-K406 HydrophobicContact CD2-CD 4.39Å; F402-K406 HydrophobicContact CE1-CD 3.37Å; F402-K406 HydrophobicContact CE2-CD 3.89Å; F402-K406 HydrophobicContact CG-CD 4.42Å; F402-K406 HydrophobicContact CZ-CD 3.34Å; F402-K406 WeakPolarHBondContact O-CD 3.46Å; F402-K406 PolarHBondContact O-NZ 3.34Å; F402-W430 HydrophobicContact CB-CH2 3.93Å; F402-W430 HydrophobicContact CB-CZ3 3.87Å; F402-W430 HydrophobicContact CD2-CZ3 4.23Å; F402-W430 HydrophobicContact CG-CH2 4.35Å; F402-W430 HydrophobicContact CG-CZ3 4.26Å; F402-Y431 WeakPolarHBondContact CA-OH 3.46Å; F402-Y431 HydrophobicContact CB-CE1 4.1Å; F402-Y431 AromaticContact CD2-CD1 3.82Å; F402-Y431 HydrophobicContact CD2-CD1 3.82Å; F402-Y431 AromaticContact CD2-CE1 3.7Å; F402-Y431 HydrophobicContact CD2-CE1 3.7Å; F402-Y431 HydrophobicContact CE2-CD1 4.47Å; F402-Y431 HydrophobicContact CG-CE1 4.4Å; F402-Y431 PolarHBondContact N-OH 2.97Å; F402-Y431 VanDerWaalsContact N-OH 3.08Å; F402-R434 HydrophobicContact CB-CG 4.47Å; F402-R434 HydrophobicContact CD1-CG 3.62Å; F402-R434 HydrophobicContact CD2-CB 4.06Å; F402-R434 HydrophobicContact CD2-CG 3.65Å; F402-R434 HydrophobicContact CE1-CG 3.62Å; F402-R434 HydrophobicContact CE2-CB 3.95Å; F402-R434 HydrophobicContact CE2-CG 3.65Å; F402-R434 HydrophobicContact CG-CG 3.64Å; F402-R434 HydrophobicContact CZ-CB 4.29Å; F402-R434 HydrophobicContact CZ-CG 3.64Å; F402-R435 HydrophobicContact CE2-CG 3.8Å; F402-R435 HydrophobicContact CZ-CG 4.29Å; F402-W438 HydrophobicContact CE1-CB 4.26Å; F402-W438 HydrophobicContact CE1-CG 4.42Å; F402-W438 HydrophobicContact CZ-CB 3.95Å; F402-W438 HydrophobicContact CZ-CG 4.24Å
403	D	95.7	Very high	96.8	Very high	97 Å²	97	69.5 Å²	69.5	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-79.1	-18.6	177.8	-76.3	-28	0	0	0	114.9	E399 K400 M401 K406	E399-D403 WeakPolarHBondContact O-CB 3.33Å; E399-D403 PolarHBondContact O-N 3.08Å; K400-D403 PolarHBondContact O-N 3.08Å; M401-D403 PolarHBondContact O-N 3.36Å; D403-K406 IonicContact OD1-NZ 3.58Å; D403-K406 PolarHBondContact OD1-NZ 3.42Å
404	H	95.5	Very high	96.9	Very high	156 Å²	156	66.5 Å²	66.5	72%	0.722	33%	0.326	S	S	*	.	H	α-helix	trans	-82	-41.5	162.5	-64.9	71.2	0	0	0	111.9	K400 M401	K400-H404 PolarHBondContact O-N 3.35Å; K400-H404 PolarHBondContact O-ND1 3.48Å; M401-H404 PolarHBondContact O-N 2.98Å; M401-H404 VanDerWaalsContact O-N 3.13Å
405	Q	95.4	Very high	96.9	Very high	71 Å²	71	69.6 Å²	69.6	33%	0.332	34%	0.34	S	S	.	.			trans	-144.7	107.2	-170.5	-172.7	177.4	-13.3	0	0	112	M401 F402 Y407 L408 D412 Y431	M401-Q405 PolarHBondContact O-N 3.37Å; F402-Q405 CarbonylContact O-C 3.48Å; F402-Q405 PolarHBondContact O-N 2.85Å; Q405-Y407 VanDerWaalsContact C-N 3.26Å; Q405-Y407 VanDerWaalsContact CG-O 3.32Å; Q405-Y407 WeakPolarHBondContact CG-O 3.47Å; Q405-Y407 PolarHBondContact NE2-O 2.93Å; Q405-Y407 PolarHBondContact O-N 3.06Å; Q405-L408 HydrophobicContact CB-CD2 4.25Å; Q405-L408 HydrophobicContact CG-CD2 4.14Å; Q405-D412 PolarHBondContact NE2-OD2 2.69Å; Q405-Y431 WeakPolarHBondContact O-CE1 3.38Å
406	K	96.1	Very high	96.9	Very high	49 Å²	49	66.9 Å²	66.9	21%	0.213	33%	0.326	C	S	.	.	S	Bend	trans	-70	-20.5	-176.9	-60.6	-74.8	177.2	-84.5	0	113.8	F402 D403 R435 W438	F402-K406 HydrophobicContact CD1-CD 3.94Å; F402-K406 HydrophobicContact CD2-CD 4.39Å; F402-K406 HydrophobicContact CE1-CD 3.37Å; F402-K406 HydrophobicContact CE2-CD 3.89Å; F402-K406 HydrophobicContact CG-CD 4.42Å; F402-K406 HydrophobicContact CZ-CD 3.34Å; F402-K406 WeakPolarHBondContact O-CD 3.46Å; F402-K406 PolarHBondContact O-NZ 3.34Å; D403-K406 IonicContact OD1-NZ 3.58Å; D403-K406 PolarHBondContact OD1-NZ 3.42Å; K406-R435 PolarHBondContact O-NH1 3.18Å; K406-W438 HydrophobicContact CD-CD2 4.4Å
407	Y	97.7	Very high	97	Very high	123 Å²	123	62.4 Å²	62.4	48%	0.482	30%	0.303	S	S	.	.	S	Bend	trans	-136.1	102.8	-178	-64.4	-101.6	0	0	0	109.4	Q405 R435	Q405-Y407 VanDerWaalsContact C-N 3.26Å; Q405-Y407 VanDerWaalsContact CG-O 3.32Å; Q405-Y407 WeakPolarHBondContact CG-O 3.47Å; Q405-Y407 PolarHBondContact NE2-O 2.93Å; Q405-Y407 PolarHBondContact O-N 3.06Å; Y407-R435 VanDerWaalsContact CE1-CD 3.46Å; Y407-R435 VanDerWaalsContact CZ-CD 3.46Å
408	L	96	Very high	97	Very high	25 Å²	25	66.6 Å²	66.6	13%	0.131	32%	0.323	C	S	.	.			trans	-72.6	142.7	175.2	-59.5	-176.4	0	0	0	111.3	M401 Q405 D412 R413 L416 V427 Y431	M401-L408 HydrophobicContact CG-CD2 4.12Å; Q405-L408 HydrophobicContact CB-CD2 4.25Å; Q405-L408 HydrophobicContact CG-CD2 4.14Å; L408-D412 HydrophobicContact CB-CB 4.3Å; L408-D412 HydrophobicContact CD2-CB 4.15Å; L408-R413 HydrophobicContact CB-CB 4.06Å; L408-R413 HydrophobicContact CD1-CB 4.11Å; L408-R413 HydrophobicContact CD1-CG 4.24Å; L408-L416 HydrophobicContact CD1-CD2 3.56Å; L408-V427 HydrophobicContact CD1-CG1 4.16Å; L408-Y431 HydrophobicContact CD1-CD1 4.49Å; L408-Y431 HydrophobicContact CD1-CD2 4.08Å; L408-Y431 HydrophobicContact CD1-CE1 4Å; L408-Y431 HydrophobicContact CD1-CE2 3.58Å; L408-Y431 HydrophobicContact CD2-CE1 4.08Å; L408-Y431 HydrophobicContact CG-CD1 4.15Å; L408-Y431 HydrophobicContact CG-CE1 3.62Å; L408-Y431 HydrophobicContact CG-CE2 4.17Å
409	S	96.6	Very high	96.9	Very high	52 Å²	52	71.5 Å²	71.5	36%	0.364	34%	0.341	S	S	.	.			trans	-64.1	174.2	163.5	92	0	0	0	0	110.6	Q411 D412 R413	S409-Q411 VanDerWaalsContact C-N 3.27Å; S409-Q411 PolarHBondContact O-N 3.14Å; S409-Q411 PolarHBondContact OG-N 2.87Å; S409-Q411 VanDerWaalsContact OG-N 3.08Å; S409-D412 VanDerWaalsContact CB-OD2 3.23Å; S409-D412 WeakPolarHBondContact CB-OD2 3.37Å; S409-D412 PolarHBondContact N-OD2 3.41Å; S409-D412 PolarHBondContact OG-N 2.99Å; S409-D412 PolarHBondContact OG-OD1 3.07Å; S409-D412 PolarHBondContact OG-OD2 3.41Å; S409-D412 VanDerWaalsContact OG-OD2 3.11Å; S409-R413 VanDerWaalsContact O-CB 3.25Å; S409-R413 WeakPolarHBondContact O-CB 3.31Å; S409-R413 PolarHBondContact O-N 3.44Å
410	V	96.2	Very high	96.9	Very high	93 Å²	93	68.9 Å²	68.9	56%	0.564	33%	0.329	S	S	*	.	H	α-helix	trans	-63.8	-36.8	172.5	-179.7	0	0	0	0	111	I414	V410-I414 HydrophobicContact CG1-CD1 4.05Å; V410-I414 WeakPolarHBondContact O-CD1 3.49Å; V410-I414 WeakPolarHBondContact O-CG1 3.44Å; V410-I414 PolarHBondContact O-N 3.29Å
411	Q	97.2	Very high	96.9	Very high	126 Å²	126	72.2 Å²	72.2	59%	0.589	35%	0.346	S	S	*	.	H	α-helix	trans	-72.1	-51.2	-177.3	-170.4	59.9	39	0	0	111.7	S409 R413 I414 E415	S409-Q411 VanDerWaalsContact C-N 3.27Å; S409-Q411 PolarHBondContact O-N 3.14Å; S409-Q411 PolarHBondContact OG-N 2.87Å; S409-Q411 VanDerWaalsContact OG-N 3.08Å; Q411-R413 PolarHBondContact O-N 2.88Å; Q411-I414 PolarHBondContact O-N 3.23Å; Q411-I414 VanDerWaalsContact O-N 3.11Å; Q411-E415 PolarHBondContact O-N 3.25Å
412	D	97.1	Very high	96.8	Very high	46 Å²	46	70.9 Å²	70.9	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-31.7	-178.7	-21.2	-33.5	0	0	0	111.2	Q405 L408 S409 L416	Q405-D412 PolarHBondContact NE2-OD2 2.69Å; L408-D412 HydrophobicContact CB-CB 4.3Å; L408-D412 HydrophobicContact CD2-CB 4.15Å; S409-D412 VanDerWaalsContact CB-OD2 3.23Å; S409-D412 WeakPolarHBondContact CB-OD2 3.37Å; S409-D412 PolarHBondContact N-OD2 3.41Å; S409-D412 PolarHBondContact OG-N 2.99Å; S409-D412 PolarHBondContact OG-OD1 3.07Å; S409-D412 PolarHBondContact OG-OD2 3.41Å; S409-D412 VanDerWaalsContact OG-OD2 3.11Å; D412-L416 WeakPolarHBondContact O-CB 3.46Å; D412-L416 PolarHBondContact O-N 3.2Å
413	R	97.7	Very high	96.8	Very high	43 Å²	43	74.5 Å²	74.5	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-71.4	-38.4	178.4	-163.3	177.2	74.7	-112.5	-4.1	112.6	L408 S409 Q411 A417 D424 V427	L408-R413 HydrophobicContact CB-CB 4.06Å; L408-R413 HydrophobicContact CD1-CB 4.11Å; L408-R413 HydrophobicContact CD1-CG 4.24Å; S409-R413 VanDerWaalsContact O-CB 3.25Å; S409-R413 WeakPolarHBondContact O-CB 3.31Å; S409-R413 PolarHBondContact O-N 3.44Å; Q411-R413 PolarHBondContact O-N 2.88Å; R413-A417 VanDerWaalsContact O-CB 3.31Å; R413-A417 WeakPolarHBondContact O-CB 3.32Å; R413-A417 PolarHBondContact O-N 3.26Å; R413-D424 WeakPolarHBondContact CG-OD1 3.28Å; R413-D424 IonicContact CZ-OD1 3.46Å; R413-D424 VanDerWaalsContact CZ-OD1 3.25Å; R413-D424 IonicContact CZ-OD2 2.63Å; R413-D424 VanDerWaalsContact NE-CG 3.33Å; R413-D424 IonicContact NE-OD1 2.67Å; R413-D424 PolarHBondContact NE-OD1 2.74Å; R413-D424 IonicContact NE-OD2 2.67Å; R413-D424 PolarHBondContact NE-OD2 3.06Å; R413-D424 VanDerWaalsContact NH2-CG 3.34Å; R413-D424 IonicContact NH2-OD1 2.72Å; R413-D424 PolarHBondContact NH2-OD1 3.49Å; R413-D424 VanDerWaalsContact NH2-OD1 3.12Å; R413-D424 IonicContact NH2-OD2 3.79Å; R413-D424 PolarHBondContact NH2-OD2 3.29Å; R413-V427 HydrophobicContact CG-CB 4.15Å; R413-V427 HydrophobicContact CG-CG1 3.77Å
414	I	97.2	Very high	96.9	Very high	60 Å²	60	72.1 Å²	72.1	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-48.5	173.5	-67.9	165.6	0	0	0	109.8	V410 Q411 L416 A417 E418	V410-I414 HydrophobicContact CG1-CD1 4.05Å; V410-I414 WeakPolarHBondContact O-CD1 3.49Å; V410-I414 WeakPolarHBondContact O-CG1 3.44Å; V410-I414 PolarHBondContact O-N 3.29Å; Q411-I414 PolarHBondContact O-N 3.23Å; Q411-I414 VanDerWaalsContact O-N 3.11Å; I414-L416 VanDerWaalsContact C-N 3.33Å; I414-L416 PolarHBondContact O-N 3.28Å; I414-A417 WeakPolarHBondContact O-CA 3.42Å; I414-A417 WeakPolarHBondContact O-CB 3.39Å; I414-A417 PolarHBondContact O-N 3.27Å; I414-E418 PolarHBondContact O-N 3.21Å
415	E	97.5	Very high	96.9	Very high	97 Å²	97	69.2 Å²	69.2	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-39.8	179.9	-157.5	-153.6	136	0	0	111.8	Q411 A417 R419	Q411-E415 PolarHBondContact O-N 3.25Å; E415-A417 VanDerWaalsContact C-N 3.35Å; E415-R419 WeakPolarHBondContact O-CB 3.47Å; E415-R419 PolarHBondContact O-N 3.15Å; E415-R419 IonicContact OE1-CZ 3.6Å; E415-R419 IonicContact OE1-NE 2.85Å; E415-R419 IonicContact OE1-NH2 3.6Å; E415-R419 PolarHBondContact OE1-NH2 2.99Å; E415-R419 IonicContact OE2-NH2 2.8Å
416	L	97.6	Very high	97	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-33.4	173.7	-176.2	63.8	0	0	0	112.7	L398 M401 L408 D412 I414 L420 V427 Y431	L398-L416 HydrophobicContact CD2-CD2 4Å; L398-L416 HydrophobicContact CD2-CG 4.39Å; M401-L416 HydrophobicContact CB-CD1 4.36Å; M401-L416 HydrophobicContact CB-CD2 4.2Å; M401-L416 HydrophobicContact CG-CD1 4.44Å; M401-L416 HydrophobicContact CG-CD2 3.97Å; L408-L416 HydrophobicContact CD1-CD2 3.56Å; D412-L416 WeakPolarHBondContact O-CB 3.46Å; D412-L416 PolarHBondContact O-N 3.2Å; I414-L416 VanDerWaalsContact C-N 3.33Å; I414-L416 PolarHBondContact O-N 3.28Å; L416-L420 HydrophobicContact CD1-CD1 3.64Å; L416-L420 HydrophobicContact CD1-CG 4.04Å; L416-L420 HydrophobicContact CG-CD1 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 WeakPolarHBondContact O-CG 3.16Å; L416-L420 PolarHBondContact O-N 3.07Å; L416-V427 HydrophobicContact CD2-CG1 3.88Å; L416-V427 HydrophobicContact CG-CG1 4.33Å; L416-Y431 HydrophobicContact CD2-CE2 3.7Å
417	A	97.8	Very high	97	Very high	6 Å²	6	65.7 Å²	65.7	5%	0.05	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-48.8	175.3	0	0	0	0	0	111	R413 I414 E415 L420 H421 L422 V427	R413-A417 VanDerWaalsContact O-CB 3.31Å; R413-A417 WeakPolarHBondContact O-CB 3.32Å; R413-A417 PolarHBondContact O-N 3.26Å; I414-A417 WeakPolarHBondContact O-CA 3.42Å; I414-A417 WeakPolarHBondContact O-CB 3.39Å; I414-A417 PolarHBondContact O-N 3.27Å; E415-A417 VanDerWaalsContact C-N 3.35Å; A417-L420 PolarHBondContact O-N 2.93Å; A417-H421 PolarHBondContact O-N 2.89Å; A417-L422 CarbonylContact C-O 3.45Å; A417-L422 WeakPolarHBondContact CB-O 3.39Å; A417-L422 PolarHBondContact O-N 3.42Å; A417-V427 HydrophobicContact CB-CG2 3.75Å
418	E	97.3	Very high	97	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.621	33%	0.33	S	S	*	.	H	α-helix	trans	-59	-50.3	176.3	-69.9	177.9	176.3	0	0	111.8	I414 L420 H421	I414-E418 PolarHBondContact O-N 3.21Å; E418-L420 PolarHBondContact O-N 2.91Å; E418-H421 PolarHBondContact O-N 3.46Å; E418-H421 VanDerWaalsContact O-N 3.11Å; E418-H421 PolarHBondContact O-ND1 3.26Å
419	R	97.1	Very high	97	Very high	103 Å²	103	68 Å²	68	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-27.1	-178.1	-160.4	-170.4	-48	112	-1.6	113.7	E415	E415-R419 WeakPolarHBondContact O-CB 3.47Å; E415-R419 PolarHBondContact O-N 3.15Å; E415-R419 IonicContact OE1-CZ 3.6Å; E415-R419 IonicContact OE1-NE 2.85Å; E415-R419 IonicContact OE1-NH2 3.6Å; E415-R419 PolarHBondContact OE1-NH2 2.99Å; E415-R419 IonicContact OE2-NH2 2.8Å
420	L	96.8	Very high	97.1	Very high	15 Å²	15	66.7 Å²	66.7	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-104.2	1.6	179.2	-61.4	-175.4	0	0	0	113.9	Q394 E397 L398 L416 A417 E418 L422	Q394-L420 HydrophobicContact CG-CB 4.41Å; Q394-L420 PolarHBondContact NE2-O 3.44Å; E397-L420 HydrophobicContact CB-CD1 4.28Å; E397-L420 HydrophobicContact CB-CD2 3.7Å; E397-L420 HydrophobicContact CG-CD2 4.21Å; L398-L420 HydrophobicContact CD1-CD1 4.46Å; L398-L420 HydrophobicContact CD2-CD1 3.87Å; L398-L420 HydrophobicContact CG-CD1 3.67Å; L416-L420 HydrophobicContact CD1-CD1 3.64Å; L416-L420 HydrophobicContact CD1-CG 4.04Å; L416-L420 HydrophobicContact CG-CD1 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 WeakPolarHBondContact O-CG 3.16Å; L416-L420 PolarHBondContact O-N 3.07Å; A417-L420 PolarHBondContact O-N 2.93Å; E418-L420 PolarHBondContact O-N 2.91Å; L420-L422 VanDerWaalsContact C-N 3.29Å; L420-L422 HydrophobicContact CB-CD1 4.12Å; L420-L422 HydrophobicContact CB-CG 4.08Å; L420-L422 PolarHBondContact O-N 3.24Å
421	H	97	Very high	97.2	Very high	170 Å²	170	62.5 Å²	62.5	79%	0.787	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.5	-174.1	-50.9	-29.2	0	0	0	112.6	A417 E418	A417-H421 PolarHBondContact O-N 2.89Å; E418-H421 PolarHBondContact O-N 3.46Å; E418-H421 VanDerWaalsContact O-N 3.11Å; E418-H421 PolarHBondContact O-ND1 3.26Å
422	L	96.4	Very high	97.2	Very high	23 Å²	23	60 Å²	60	12%	0.12	29%	0.294	C	S	.	.			trans	-114.8	165.3	175.7	-63.4	-179	0	0	0	110.4	F390 L398 A417 L420 Q426 V427	F390-L422 HydrophobicContact CD1-CD1 3.84Å; F390-L422 HydrophobicContact CD1-CD2 3.79Å; F390-L422 HydrophobicContact CD1-CG 4.5Å; F390-L422 HydrophobicContact CE1-CD1 3.76Å; F390-L422 HydrophobicContact CE1-CD2 3.78Å; F390-L422 HydrophobicContact CE1-CG 4.41Å; L398-L422 HydrophobicContact CD1-CD1 4.11Å; A417-L422 CarbonylContact C-O 3.45Å; A417-L422 WeakPolarHBondContact CB-O 3.39Å; A417-L422 PolarHBondContact O-N 3.42Å; L420-L422 VanDerWaalsContact C-N 3.29Å; L420-L422 HydrophobicContact CB-CD1 4.12Å; L420-L422 HydrophobicContact CB-CG 4.08Å; L420-L422 PolarHBondContact O-N 3.24Å; L422-Q426 HydrophobicContact CB-CB 4.41Å; L422-V427 HydrophobicContact CB-CG2 4.11Å; L422-V427 HydrophobicContact CD1-CG2 4.35Å
423	T	96.9	Very high	97.2	Very high	76 Å²	76	62.7 Å²	62.7	47%	0.466	31%	0.308	S	S	.	.			trans	-84.6	151.6	169.2	58.9	0	0	0	0	111.5	T425 Q426 V427	T423-T425 PolarHBondContact O-N 3.09Å; T423-Q426 WeakPolarHBondContact O-CA 3.47Å; T423-Q426 WeakPolarHBondContact O-CB 3.29Å; T423-Q426 PolarHBondContact O-N 3.03Å; T423-Q426 VanDerWaalsContact OG1-CG 3.31Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.28Å; T423-Q426 PolarHBondContact OG1-N 3.38Å; T423-Q426 PolarHBondContact OG1-OE1 2.64Å; T423-V427 PolarHBondContact O-N 3.02Å
424	D	97	Very high	97.1	Very high	47 Å²	47	62.1 Å²	62.1	25%	0.251	31%	0.306	S	S	.	.	H	α-helix	trans	-49.7	-42.2	172.4	-176.8	67.4	0	0	0	112	R413 Q426 V427 K428	R413-D424 WeakPolarHBondContact CG-OD1 3.28Å; R413-D424 IonicContact CZ-OD1 3.46Å; R413-D424 VanDerWaalsContact CZ-OD1 3.25Å; R413-D424 IonicContact CZ-OD2 2.63Å; R413-D424 VanDerWaalsContact NE-CG 3.33Å; R413-D424 IonicContact NE-OD1 2.67Å; R413-D424 PolarHBondContact NE-OD1 2.74Å; R413-D424 IonicContact NE-OD2 2.67Å; R413-D424 PolarHBondContact NE-OD2 3.06Å; R413-D424 VanDerWaalsContact NH2-CG 3.34Å; R413-D424 IonicContact NH2-OD1 2.72Å; R413-D424 PolarHBondContact NH2-OD1 3.49Å; R413-D424 VanDerWaalsContact NH2-OD1 3.12Å; R413-D424 IonicContact NH2-OD2 3.79Å; R413-D424 PolarHBondContact NH2-OD2 3.29Å; D424-Q426 PolarHBondContact O-N 2.94Å; D424-V427 PolarHBondContact O-N 3.48Å; D424-K428 VanDerWaalsContact O-CB 3.23Å; D424-K428 WeakPolarHBondContact O-CB 3.23Å; D424-K428 PolarHBondContact O-N 2.9Å
425	T	96.3	Very high	97.1	Very high	95 Å²	95	61.5 Å²	61.5	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-38.9	175.8	-54.3	0	0	0	0	113	T423 T429	T423-T425 PolarHBondContact O-N 3.09Å; T425-T429 VanDerWaalsContact O-CB 3.24Å; T425-T429 WeakPolarHBondContact O-CB 3.16Å; T425-T429 PolarHBondContact O-N 3.07Å; T425-T429 PolarHBondContact O-OG1 3.07Å
426	Q	96.7	Very high	96.8	Very high	46 Å²	46	59.9 Å²	59.9	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-44.9	175.3	-79.6	164.2	-57.6	0	0	111.3	F390 L422 T423 D424 T429 W430	F390-Q426 HydrophobicContact CE1-CB 4.16Å; F390-Q426 HydrophobicContact CE1-CG 4.45Å; F390-Q426 HydrophobicContact CZ-CB 4.26Å; L422-Q426 HydrophobicContact CB-CB 4.41Å; T423-Q426 WeakPolarHBondContact O-CA 3.47Å; T423-Q426 WeakPolarHBondContact O-CB 3.29Å; T423-Q426 PolarHBondContact O-N 3.03Å; T423-Q426 VanDerWaalsContact OG1-CG 3.31Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.28Å; T423-Q426 PolarHBondContact OG1-N 3.38Å; T423-Q426 PolarHBondContact OG1-OE1 2.64Å; D424-Q426 PolarHBondContact O-N 2.94Å; Q426-T429 PolarHBondContact O-N 3.11Å; Q426-W430 WeakPolarHBondContact O-CB 3.5Å; Q426-W430 PolarHBondContact O-N 2.92Å
427	V	97.6	Very high	96.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-47.9	176.5	-178.5	0	0	0	0	110.4	L398 L408 R413 L416 A417 L422 T423 D424 T429 W430 Y431	L398-V427 HydrophobicContact CD2-CG1 4.33Å; L408-V427 HydrophobicContact CD1-CG1 4.16Å; R413-V427 HydrophobicContact CG-CB 4.15Å; R413-V427 HydrophobicContact CG-CG1 3.77Å; L416-V427 HydrophobicContact CD2-CG1 3.88Å; L416-V427 HydrophobicContact CG-CG1 4.33Å; A417-V427 HydrophobicContact CB-CG2 3.75Å; L422-V427 HydrophobicContact CB-CG2 4.11Å; L422-V427 HydrophobicContact CD1-CG2 4.35Å; T423-V427 PolarHBondContact O-N 3.02Å; D424-V427 PolarHBondContact O-N 3.48Å; V427-T429 VanDerWaalsContact C-N 3.33Å; V427-T429 PolarHBondContact O-N 2.94Å; V427-W430 PolarHBondContact O-N 3.22Å; V427-Y431 HydrophobicContact CG1-CD2 3.79Å; V427-Y431 HydrophobicContact CG1-CE2 3.97Å; V427-Y431 WeakPolarHBondContact O-CB 3.27Å; V427-Y431 WeakPolarHBondContact O-CD2 3.3Å; V427-Y431 PolarHBondContact O-N 3.26Å
428	K	97.2	Very high	96.1	Very high	126 Å²	126	68.3 Å²	68.3	55%	0.548	33%	0.33	S	S	.	.	H	α-helix	trans	-54.5	-46	174.7	-175.1	177.1	-180	177.2	0	112.3	D424 Q432	D424-K428 VanDerWaalsContact O-CB 3.23Å; D424-K428 WeakPolarHBondContact O-CB 3.23Å; D424-K428 PolarHBondContact O-N 2.9Å; K428-Q432 PolarHBondContact O-N 3.26Å
429	T	96.6	Very high	95.6	Very high	70 Å²	70	66.7 Å²	66.7	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-42.8	179.3	-57.9	0	0	0	0	111.6	T425 Q426 V427 Q432 N433	T425-T429 VanDerWaalsContact O-CB 3.24Å; T425-T429 WeakPolarHBondContact O-CB 3.16Å; T425-T429 PolarHBondContact O-N 3.07Å; T425-T429 PolarHBondContact O-OG1 3.07Å; Q426-T429 PolarHBondContact O-N 3.11Å; V427-T429 VanDerWaalsContact C-N 3.33Å; V427-T429 PolarHBondContact O-N 2.94Å; T429-Q432 PolarHBondContact O-N 3.22Å; T429-N433 WeakPolarHBondContact O-CB 3.45Å; T429-N433 VanDerWaalsContact O-CG 3.27Å; T429-N433 PolarHBondContact O-N 3.03Å; T429-N433 PolarHBondContact O-ND2 2.98Å
430	W	97.8	Very high	94.9	Very high	25 Å²	25	67.1 Å²	67.1	10%	0.095	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.3	-175.5	101.5	0	0	0	111	F390 L398 E399 F402 Q426 V427 Q432 N433 R434	F390-W430 AromaticContact CD2-CD1 3.89Å; F390-W430 HydrophobicContact CE2-CB 4.4Å; F390-W430 AromaticContact CE2-CD1 3.67Å; F390-W430 HydrophobicContact CE2-CG 4.41Å; F390-W430 HydrophobicContact CZ-CB 4.45Å; L398-W430 VanDerWaalsContact C-CH2 3.41Å; L398-W430 HydrophobicContact CB-CD2 3.95Å; L398-W430 HydrophobicContact CB-CE3 4Å; L398-W430 HydrophobicContact CB-CH2 3.72Å; L398-W430 HydrophobicContact CB-CZ2 3.62Å; L398-W430 HydrophobicContact CB-CZ3 3.9Å; L398-W430 HydrophobicContact CD1-CD2 3.95Å; L398-W430 HydrophobicContact CD1-CG 3.9Å; L398-W430 HydrophobicContact CD2-CD2 4.21Å; L398-W430 HydrophobicContact CD2-CE3 4.05Å; L398-W430 HydrophobicContact CG-CD2 4.26Å; L398-W430 HydrophobicContact CG-CE3 4.43Å; L398-W430 WeakPolarHBondContact O-CH2 3.25Å; E399-W430 HydrophobicContact CB-CH2 4.49Å; E399-W430 HydrophobicContact CG-CH2 3.84Å; E399-W430 HydrophobicContact CG-CZ2 3.57Å; F402-W430 HydrophobicContact CB-CH2 3.93Å; F402-W430 HydrophobicContact CB-CZ3 3.87Å; F402-W430 HydrophobicContact CD2-CZ3 4.23Å; F402-W430 HydrophobicContact CG-CH2 4.35Å; F402-W430 HydrophobicContact CG-CZ3 4.26Å; Q426-W430 WeakPolarHBondContact O-CB 3.5Å; Q426-W430 PolarHBondContact O-N 2.92Å; V427-W430 PolarHBondContact O-N 3.22Å; W430-Q432 PolarHBondContact O-N 3.13Å; W430-N433 PolarHBondContact O-N 3.23Å; W430-R434 HydrophobicContact CD2-CB 4.4Å; W430-R434 HydrophobicContact CE3-CB 4.02Å; W430-R434 HydrophobicContact CH2-CB 3.78Å; W430-R434 HydrophobicContact CH2-CG 3.48Å; W430-R434 VanDerWaalsContact CH2-CG 3.48Å; W430-R434 HydrophobicContact CZ2-CB 4.2Å; W430-R434 HydrophobicContact CZ2-CG 4.05Å; W430-R434 HydrophobicContact CZ3-CB 3.69Å; W430-R434 HydrophobicContact CZ3-CG 3.81Å; W430-R434 WeakPolarHBondContact O-CB 3.45Å; W430-R434 PolarHBondContact O-N 3.17Å
431	Y	98.1	Very high	94.1	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-40.7	176.8	-95.4	-99.1	0	0	0	112.5	L398 M401 F402 Q405 L408 L416 V427 R434 R435	L398-Y431 HydrophobicContact CD2-CE2 4.15Å; M401-Y431 WeakPolarHBondContact CB-OH 3.48Å; M401-Y431 WeakPolarHBondContact CG-OH 3.4Å; F402-Y431 WeakPolarHBondContact CA-OH 3.46Å; F402-Y431 HydrophobicContact CB-CE1 4.1Å; F402-Y431 AromaticContact CD2-CD1 3.82Å; F402-Y431 HydrophobicContact CD2-CD1 3.82Å; F402-Y431 AromaticContact CD2-CE1 3.7Å; F402-Y431 HydrophobicContact CD2-CE1 3.7Å; F402-Y431 HydrophobicContact CE2-CD1 4.47Å; F402-Y431 HydrophobicContact CG-CE1 4.4Å; F402-Y431 PolarHBondContact N-OH 2.97Å; F402-Y431 VanDerWaalsContact N-OH 3.08Å; Q405-Y431 WeakPolarHBondContact O-CE1 3.38Å; L408-Y431 HydrophobicContact CD1-CD1 4.49Å; L408-Y431 HydrophobicContact CD1-CD2 4.08Å; L408-Y431 HydrophobicContact CD1-CE1 4Å; L408-Y431 HydrophobicContact CD1-CE2 3.58Å; L408-Y431 HydrophobicContact CD2-CE1 4.08Å; L408-Y431 HydrophobicContact CG-CD1 4.15Å; L408-Y431 HydrophobicContact CG-CE1 3.62Å; L408-Y431 HydrophobicContact CG-CE2 4.17Å; L416-Y431 HydrophobicContact CD2-CE2 3.7Å; V427-Y431 HydrophobicContact CG1-CD2 3.79Å; V427-Y431 HydrophobicContact CG1-CE2 3.97Å; V427-Y431 WeakPolarHBondContact O-CB 3.27Å; V427-Y431 WeakPolarHBondContact O-CD2 3.3Å; V427-Y431 PolarHBondContact O-N 3.26Å; Y431-R434 PolarHBondContact O-N 3.3Å; Y431-R435 WeakPolarHBondContact O-CB 3.24Å; Y431-R435 PolarHBondContact O-N 3.49Å
432	Q	96.7	Very high	93.1	Very high	74 Å²	74	64.3 Å²	64.3	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-44.8	175.3	-169.9	64.5	8.7	0	0	111.4	K428 T429 W430 R434 R435 T436	K428-Q432 PolarHBondContact O-N 3.26Å; T429-Q432 PolarHBondContact O-N 3.22Å; W430-Q432 PolarHBondContact O-N 3.13Å; Q432-R434 PolarHBondContact O-N 3.02Å; Q432-R435 PolarHBondContact O-N 3.06Å; Q432-T436 PolarHBondContact O-N 3.36Å; Q432-T436 PolarHBondContact O-OG1 3.01Å
433	N	97.2	Very high	91.4	Very high	103 Å²	103	65.5 Å²	65.5	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-64.2	-38.8	175.8	-69.6	-23.5	0	0	0	112.1	T429 W430 T436 K437	T429-N433 WeakPolarHBondContact O-CB 3.45Å; T429-N433 VanDerWaalsContact O-CG 3.27Å; T429-N433 PolarHBondContact O-N 3.03Å; T429-N433 PolarHBondContact O-ND2 2.98Å; W430-N433 PolarHBondContact O-N 3.23Å; N433-T436 PolarHBondContact O-N 3.49Å; N433-K437 WeakPolarHBondContact O-CB 3.37Å; N433-K437 PolarHBondContact O-N 3.25Å
434	R	97.3	Very high	89.4	Confident	31 Å²	31	64.9 Å²	64.9	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-70.3	-37.3	178.5	-169.9	68	-178.9	74.3	4	112.1	E399 F402 W430 Y431 Q432 K437 W438	E399-R434 IonicContact OE1-CZ 2.67Å; E399-R434 IonicContact OE1-NE 3.34Å; E399-R434 PolarHBondContact OE1-NE 3.4Å; E399-R434 IonicContact OE1-NH2 3.69Å; F402-R434 HydrophobicContact CB-CG 4.47Å; F402-R434 HydrophobicContact CD1-CG 3.62Å; F402-R434 HydrophobicContact CD2-CB 4.06Å; F402-R434 HydrophobicContact CD2-CG 3.65Å; F402-R434 HydrophobicContact CE1-CG 3.62Å; F402-R434 HydrophobicContact CE2-CB 3.95Å; F402-R434 HydrophobicContact CE2-CG 3.65Å; F402-R434 HydrophobicContact CG-CG 3.64Å; F402-R434 HydrophobicContact CZ-CB 4.29Å; F402-R434 HydrophobicContact CZ-CG 3.64Å; W430-R434 HydrophobicContact CD2-CB 4.4Å; W430-R434 HydrophobicContact CE3-CB 4.02Å; W430-R434 HydrophobicContact CH2-CB 3.78Å; W430-R434 HydrophobicContact CH2-CG 3.48Å; W430-R434 VanDerWaalsContact CH2-CG 3.48Å; W430-R434 HydrophobicContact CZ2-CB 4.2Å; W430-R434 HydrophobicContact CZ2-CG 4.05Å; W430-R434 HydrophobicContact CZ3-CB 3.69Å; W430-R434 HydrophobicContact CZ3-CG 3.81Å; W430-R434 WeakPolarHBondContact O-CB 3.45Å; W430-R434 PolarHBondContact O-N 3.17Å; Y431-R434 PolarHBondContact O-N 3.3Å; Q432-R434 PolarHBondContact O-N 3.02Å; R434-K437 PolarHBondContact O-N 3.03Å; R434-W438 VanDerWaalsContact O-CB 3.26Å; R434-W438 WeakPolarHBondContact O-CB 3.45Å; R434-W438 PolarHBondContact O-N 3.45Å
435	R	96.6	Very high	87.3	Confident	47 Å²	47	63.8 Å²	63.8	18%	0.177	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-42.6	168.4	-79.8	-165.1	-65.8	-90.6	-0.7	112.1	F402 K406 Y407 Y431 Q432 W438 K439	F402-R435 HydrophobicContact CE2-CG 3.8Å; F402-R435 HydrophobicContact CZ-CG 4.29Å; K406-R435 PolarHBondContact O-NH1 3.18Å; Y407-R435 VanDerWaalsContact CE1-CD 3.46Å; Y407-R435 VanDerWaalsContact CZ-CD 3.46Å; Y431-R435 WeakPolarHBondContact O-CB 3.24Å; Y431-R435 PolarHBondContact O-N 3.49Å; Q432-R435 PolarHBondContact O-N 3.06Å; R435-W438 PolarHBondContact O-N 3.07Å; R435-K439 WeakPolarHBondContact O-CB 3.11Å; R435-K439 PolarHBondContact O-N 3.32Å
436	T	90.9	Very high	85.2	Confident	63 Å²	63	59.4 Å²	59.4	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-43.4	175.3	-59.3	0	0	0	0	111.6	Q432 N433 R440	Q432-T436 PolarHBondContact O-N 3.36Å; Q432-T436 PolarHBondContact O-OG1 3.01Å; N433-T436 PolarHBondContact O-N 3.49Å; T436-R440 WeakPolarHBondContact O-CB 3.49Å; T436-R440 WeakPolarHBondContact O-CG 3.5Å; T436-R440 PolarHBondContact O-N 3.17Å
437	K	89.8	Confident	83.2	Confident	104 Å²	104	63 Å²	63	45%	0.452	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-47.1	172.6	-176.3	-174.6	172.5	-170.7	0	111.1	N433 R434 R440 Q441	N433-K437 WeakPolarHBondContact O-CB 3.37Å; N433-K437 PolarHBondContact O-N 3.25Å; R434-K437 PolarHBondContact O-N 3.03Å; K437-R440 PolarHBondContact O-N 3.35Å; K437-Q441 WeakPolarHBondContact O-CB 3.34Å; K437-Q441 VanDerWaalsContact O-CG 3.24Å; K437-Q441 WeakPolarHBondContact O-CG 3.44Å; K437-Q441 PolarHBondContact O-N 3.36Å; K437-Q441 PolarHBondContact O-OE1 3.24Å
438	W	91.8	Very high	81.1	Confident	79 Å²	79	66.5 Å²	66.5	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-49.1	177.4	173.2	65.2	0	0	0	112	F402 K406 R434 R435 R440 Q441 T442	F402-W438 HydrophobicContact CE1-CB 4.26Å; F402-W438 HydrophobicContact CE1-CG 4.42Å; F402-W438 HydrophobicContact CZ-CB 3.95Å; F402-W438 HydrophobicContact CZ-CG 4.24Å; K406-W438 HydrophobicContact CD-CD2 4.4Å; R434-W438 VanDerWaalsContact O-CB 3.26Å; R434-W438 WeakPolarHBondContact O-CB 3.45Å; R434-W438 PolarHBondContact O-N 3.45Å; R435-W438 PolarHBondContact O-N 3.07Å; W438-R440 PolarHBondContact O-N 3.07Å; W438-Q441 CarbonylContact O-C 3.4Å; W438-Q441 WeakPolarHBondContact O-CA 3.45Å; W438-Q441 WeakPolarHBondContact O-CB 3.48Å; W438-Q441 PolarHBondContact O-N 3.36Å; W438-T442 PolarHBondContact O-N 3.46Å; W438-T442 PolarHBondContact O-OG1 3Å; W438-T442 VanDerWaalsContact O-OG1 3.08Å
439	K	86.6	Confident	79.2	Confident	99 Å²	99	62.3 Å²	62.3	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-38.8	176.5	-172.6	161.2	76.3	168.6	0	112.6	R435 Q441 T442 A443	R435-K439 WeakPolarHBondContact O-CB 3.11Å; R435-K439 PolarHBondContact O-N 3.32Å; K439-Q441 VanDerWaalsContact C-N 3.34Å; K439-T442 PolarHBondContact O-N 2.8Å; K439-A443 PolarHBondContact O-N 2.97Å
440	R	82.2	Confident	77.1	Confident	113 Å²	113	61.2 Å²	61.2	43%	0.426	31%	0.307	S	S	.	.	I	π-helix	trans	-61.6	-39.9	170.4	-76.9	-176.6	175.6	-161.2	-4.3	111.7	D91 T436 K437 W438 V444 G445	D91-R440 IonicContact OD1-CZ 2.69Å; D91-R440 IonicContact OD1-NH1 2.69Å; D91-R440 PolarHBondContact OD1-NH1 2.96Å; D91-R440 IonicContact OD1-NH2 3.66Å; D91-R440 PolarHBondContact OD1-NH2 3.14Å; D91-R440 IonicContact OD2-NH1 3.14Å; T436-R440 WeakPolarHBondContact O-CB 3.49Å; T436-R440 WeakPolarHBondContact O-CG 3.5Å; T436-R440 PolarHBondContact O-N 3.17Å; K437-R440 PolarHBondContact O-N 3.35Å; W438-R440 PolarHBondContact O-N 3.07Å; R440-V444 WeakPolarHBondContact O-CB 3.2Å; R440-V444 PolarHBondContact O-N 2.96Å; R440-G445 PolarHBondContact O-N 2.86Å
441	Q	79.6	Confident	75	Confident	101 Å²	101	67.3 Å²	67.3	47%	0.472	34%	0.336	S	S	.	.	I	π-helix	trans	-68.5	-34.6	176	-71.7	172.9	-59.8	0	0	112.8	K437 W438 K439	K437-Q441 WeakPolarHBondContact O-CB 3.34Å; K437-Q441 VanDerWaalsContact O-CG 3.24Å; K437-Q441 WeakPolarHBondContact O-CG 3.44Å; K437-Q441 PolarHBondContact O-N 3.36Å; K437-Q441 PolarHBondContact O-OE1 3.24Å; W438-Q441 CarbonylContact O-C 3.4Å; W438-Q441 WeakPolarHBondContact O-CA 3.45Å; W438-Q441 WeakPolarHBondContact O-CB 3.48Å; W438-Q441 PolarHBondContact O-N 3.36Å; K439-Q441 VanDerWaalsContact C-N 3.34Å
442	T	75.5	Confident	72.9	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.153	36%	0.364	C	S	.	.	I	π-helix	trans	-78.8	-50.8	-179.3	-55.2	0	0	0	0	113.2	W438 K439 W468	W438-T442 PolarHBondContact O-N 3.46Å; W438-T442 PolarHBondContact O-OG1 3Å; W438-T442 VanDerWaalsContact O-OG1 3.08Å; K439-T442 PolarHBondContact O-N 2.8Å; T442-W468 HydrophobicContact CG2-CH2 4.05Å; T442-W468 HydrophobicContact CG2-CZ3 4.05Å
443	A	61.5	Low	71	Confident	47 Å²	47	68.8 Å²	68.8	39%	0.388	37%	0.366	S	S	.	.	I	π-helix	trans	-85.2	-64.1	-176.4	0	0	0	0	0	112	K439 G445 F446 E447	K439-A443 PolarHBondContact O-N 2.97Å; A443-G445 PolarHBondContact O-N 3.25Å; A443-F446 PolarHBondContact O-N 3.34Å; A443-E447 PolarHBondContact O-N 2.96Å
444	V	53.9	Low	69.6	Low	63 Å²	63	67.2 Å²	67.2	38%	0.382	36%	0.357	S	S	.	.	I	π-helix	trans	-67.3	-27.5	-171.6	-168.7	0	0	0	0	111.9	R440 F446 L448	R440-V444 WeakPolarHBondContact O-CB 3.2Å; R440-V444 PolarHBondContact O-N 2.96Å; V444-F446 VanDerWaalsContact C-N 3.27Å; V444-F446 PolarHBondContact O-N 3.44Å; V444-L448 HydrophobicContact CG1-CD1 4.09Å; V444-L448 PolarHBondContact O-N 3.05Å
445	G	54	Low	68.1	Low	25 Å²	25	69.5 Å²	69.5	26%	0.258	37%	0.368	S	S	.	.	H	α-helix	trans	-57.7	-34.2	177.9	0	0	0	0	0	114.2	R440 A443 L449	R440-G445 PolarHBondContact O-N 2.86Å; A443-G445 PolarHBondContact O-N 3.25Å; G445-L449 VanDerWaalsContact O-CD1 3.23Å; G445-L449 WeakPolarHBondContact O-CD1 3.49Å; G445-L449 VanDerWaalsContact O-CG 3.28Å; G445-L449 WeakPolarHBondContact O-CG 3.34Å
446	F	51.1	Low	66.7	Low	3 Å²	3	71.6 Å²	71.6	1%	0.013	39%	0.386	C	S	.	.	H	α-helix	trans	-95.2	-38.1	178.6	-111.4	-80.2	0	0	0	113.5	A443 V444 L449 S450 V458 I461 W468 H471 A473 A474 I477	A443-F446 PolarHBondContact O-N 3.34Å; V444-F446 VanDerWaalsContact C-N 3.27Å; V444-F446 PolarHBondContact O-N 3.44Å; F446-L449 PolarHBondContact O-N 3.23Å; F446-S450 WeakPolarHBondContact O-CB 3.44Å; F446-S450 PolarHBondContact O-N 3.25Å; F446-V458 HydrophobicContact CD1-CG2 4.49Å; F446-V458 HydrophobicContact CE1-CB 4.33Å; F446-V458 HydrophobicContact CE1-CG1 3.75Å; F446-V458 HydrophobicContact CE1-CG2 3.99Å; F446-V458 HydrophobicContact CZ-CG1 4.14Å; F446-I461 HydrophobicContact CD2-CG2 4.38Å; F446-I461 HydrophobicContact CE2-CB 4.24Å; F446-I461 HydrophobicContact CE2-CG2 3.55Å; F446-I461 HydrophobicContact CZ-CG2 4.22Å; F446-W468 HydrophobicContact CD2-CE3 4.15Å; F446-W468 HydrophobicContact CE2-CB 3.84Å; F446-W468 HydrophobicContact CE2-CD2 4.19Å; F446-W468 HydrophobicContact CE2-CE3 4.18Å; F446-W468 HydrophobicContact CE2-CG 4.05Å; F446-W468 HydrophobicContact CZ-CB 4.34Å; F446-H471 AromaticContact CG-ND1 3.82Å; F446-A473 HydrophobicContact CB-CB 4.33Å; F446-A473 HydrophobicContact CD1-CB 4.45Å; F446-A474 HydrophobicContact CD1-CB 4.16Å; F446-A474 HydrophobicContact CE1-CB 3.48Å; F446-A474 VanDerWaalsContact CE1-CB 3.48Å; F446-A474 HydrophobicContact CE2-CB 4.43Å; F446-A474 HydrophobicContact CZ-CB 3.65Å; F446-I477 HydrophobicContact CD1-CD1 3.91Å; F446-I477 HydrophobicContact CE1-CD1 4.02Å
447	E	54.5	Low	65.5	Low	120 Å²	120	69.4 Å²	69.4	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-60	-53.6	-177.4	-161.9	162.1	-133.8	0	0	110.8	A443 L449 S450 E451	A443-E447 PolarHBondContact O-N 2.96Å; E447-L449 VanDerWaalsContact C-N 3.27Å; E447-L449 PolarHBondContact O-N 3.11Å; E447-S450 WeakPolarHBondContact O-CB 3.5Å; E447-S450 PolarHBondContact O-N 3.39Å; E447-S450 PolarHBondContact O-OG 2.95Å; E447-E451 PolarHBondContact O-N 3.41Å
448	L	54.4	Low	64.4	Low	75 Å²	75	64.7 Å²	64.7	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-30.3	177.9	-121.6	77.4	0	0	0	113.7	L90 V444 A452	L90-L448 HydrophobicContact CD1-CD2 4.36Å; V444-L448 HydrophobicContact CG1-CD1 4.09Å; V444-L448 PolarHBondContact O-N 3.05Å; L448-A452 WeakPolarHBondContact O-CB 3.38Å; L448-A452 PolarHBondContact O-N 3.31Å; L448-A452 VanDerWaalsContact O-N 3.15Å
449	L	56.6	Low	63.2	Low	37 Å²	37	66.2 Å²	66.2	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-82.6	-25	178.1	-66.1	-177.9	0	0	0	112.8	G445 F446 E447 N454 A457 V458 I461	G445-L449 VanDerWaalsContact O-CD1 3.23Å; G445-L449 WeakPolarHBondContact O-CD1 3.49Å; G445-L449 VanDerWaalsContact O-CG 3.28Å; G445-L449 WeakPolarHBondContact O-CG 3.34Å; F446-L449 PolarHBondContact O-N 3.23Å; E447-L449 VanDerWaalsContact C-N 3.27Å; E447-L449 PolarHBondContact O-N 3.11Å; L449-N454 HydrophobicContact CD2-CB 4.15Å; L449-N454 PolarHBondContact O-N 3.23Å; L449-A457 HydrophobicContact CD1-CB 3.66Å; L449-A457 HydrophobicContact CD2-CB 3.73Å; L449-A457 HydrophobicContact CG-CB 4.26Å; L449-V458 HydrophobicContact CB-CG2 4.11Å; L449-I461 HydrophobicContact CD1-CD1 3.39Å
450	S	52.5	Low	62.4	Low	47 Å²	47	69.4 Å²	69.4	33%	0.329	37%	0.374	S	S	.	.	H	α-helix	trans	-72.6	-46.6	171.2	77.9	0	0	0	0	111.4	F446 E447 A452 G453 I477	F446-S450 WeakPolarHBondContact O-CB 3.44Å; F446-S450 PolarHBondContact O-N 3.25Å; E447-S450 WeakPolarHBondContact O-CB 3.5Å; E447-S450 PolarHBondContact O-N 3.39Å; E447-S450 PolarHBondContact O-OG 2.95Å; S450-A452 PolarHBondContact O-N 2.8Å; S450-G453 PolarHBondContact O-N 3.22Å; S450-I477 VanDerWaalsContact CB-CD1 3.43Å
451	E	54.6	Low	61.6	Low	154 Å²	154	66 Å²	66	72%	0.72	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-40.1	176.3	-67.9	-173.5	129.7	0	0	112.2	E447 G453	E447-E451 PolarHBondContact O-N 3.41Å; E451-G453 PolarHBondContact O-N 3.4Å; E451-G453 VanDerWaalsContact O-N 3.17Å
452	A	54.4	Low	61	Low	71 Å²	71	63 Å²	63	59%	0.587	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-0.9	177.8	0	0	0	0	0	114.2	L448 S450 N454	L448-A452 WeakPolarHBondContact O-CB 3.38Å; L448-A452 PolarHBondContact O-N 3.31Å; L448-A452 VanDerWaalsContact O-N 3.15Å; S450-A452 PolarHBondContact O-N 2.8Å; A452-N454 HydrophobicContact CB-CB 4.2Å; A452-N454 PolarHBondContact O-N 3.31Å; A452-N454 VanDerWaalsContact O-N 3.11Å
453	G	57	Low	60.7	Low	38 Å²	38	67.4 Å²	67.4	39%	0.392	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.3	-173.7	0	0	0	0	0	113.2	S450 E451 F455	S450-G453 PolarHBondContact O-N 3.22Å; E451-G453 PolarHBondContact O-N 3.4Å; E451-G453 VanDerWaalsContact O-N 3.17Å; G453-F455 WeakPolarHBondContact O-CD2 3.4Å; G453-F455 PolarHBondContact O-N 3.25Å
454	N	67	Low	61	Low	70 Å²	70	70.2 Å²	70.2	37%	0.374	38%	0.382	S	S	.	.			trans	-87.5	65.6	-168	-166.1	-15.3	0	0	0	111.1	L449 A452 V456 A457 V458	L449-N454 HydrophobicContact CD2-CB 4.15Å; L449-N454 PolarHBondContact O-N 3.23Å; A452-N454 HydrophobicContact CB-CB 4.2Å; A452-N454 PolarHBondContact O-N 3.31Å; A452-N454 VanDerWaalsContact O-N 3.11Å; N454-V456 PolarHBondContact O-N 3.02Å; N454-V456 VanDerWaalsContact O-N 3.14Å; N454-A457 HydrophobicContact CB-CB 4.21Å; N454-A457 WeakPolarHBondContact O-CB 3.24Å; N454-A457 PolarHBondContact O-N 3.44Å; N454-A457 WeakPolarHBondContact OD1-CB 3.38Å; N454-A457 PolarHBondContact OD1-N 2.97Å; N454-V458 PolarHBondContact O-N 2.99Å
455	F	65.9	Low	61.3	Low	79 Å²	79	70.6 Å²	70.6	35%	0.346	38%	0.382	S	S	.	.	H	α-helix	trans	-48.9	-37.2	178.5	-65.7	-64.5	0	0	0	113.8	G453 V458 Q459 I477 M481	G453-F455 WeakPolarHBondContact O-CD2 3.4Å; G453-F455 PolarHBondContact O-N 3.25Å; F455-V458 PolarHBondContact O-N 2.99Å; F455-Q459 WeakPolarHBondContact O-CB 3.31Å; F455-Q459 PolarHBondContact O-N 2.95Å; F455-I477 HydrophobicContact CD1-CG2 3.77Å; F455-I477 HydrophobicContact CE1-CG2 3.83Å; F455-M481 HydrophobicContact CB-CE 3.49Å; F455-M481 VanDerWaalsContact CB-CE 3.49Å; F455-M481 HydrophobicContact CD1-CE 3.42Å; F455-M481 VanDerWaalsContact CD1-CE 3.42Å; F455-M481 HydrophobicContact CD1-CG 4.02Å; F455-M481 HydrophobicContact CD2-CE 4.5Å; F455-M481 HydrophobicContact CE1-CE 4.26Å; F455-M481 HydrophobicContact CE1-CG 3.99Å; F455-M481 HydrophobicContact CG-CE 3.56Å
456	V	67.5	Low	61.8	Low	90 Å²	90	73.6 Å²	73.6	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-36	178.9	179.6	0	0	0	0	111.7	N454 R460	N454-V456 PolarHBondContact O-N 3.02Å; N454-V456 VanDerWaalsContact O-N 3.14Å; V456-R460 PolarHBondContact O-N 3.37Å; V456-R460 VanDerWaalsContact O-N 3.12Å
457	A	65.8	Low	62.1	Low	18 Å²	18	79.2 Å²	79.2	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-72.9	-40.5	174.4	0	0	0	0	0	111.6	L449 N454 R460 I461	L449-A457 HydrophobicContact CD1-CB 3.66Å; L449-A457 HydrophobicContact CD2-CB 3.73Å; L449-A457 HydrophobicContact CG-CB 4.26Å; N454-A457 HydrophobicContact CB-CB 4.21Å; N454-A457 WeakPolarHBondContact O-CB 3.24Å; N454-A457 PolarHBondContact O-N 3.44Å; N454-A457 WeakPolarHBondContact OD1-CB 3.38Å; N454-A457 PolarHBondContact OD1-N 2.97Å; A457-R460 PolarHBondContact O-N 3.42Å; A457-I461 WeakPolarHBondContact O-CG1 3.49Å; A457-I461 PolarHBondContact O-N 3.18Å
458	V	65.4	Low	62.5	Low	4 Å²	4	75.2 Å²	75.2	2%	0.024	40%	0.399	C	S	.	.	H	α-helix	trans	-56.7	-50.1	171.9	168.1	0	0	0	0	111	F446 L449 N454 F455 R460 I461 L462 I477	F446-V458 HydrophobicContact CD1-CG2 4.49Å; F446-V458 HydrophobicContact CE1-CB 4.33Å; F446-V458 HydrophobicContact CE1-CG1 3.75Å; F446-V458 HydrophobicContact CE1-CG2 3.99Å; F446-V458 HydrophobicContact CZ-CG1 4.14Å; L449-V458 HydrophobicContact CB-CG2 4.11Å; N454-V458 PolarHBondContact O-N 2.99Å; F455-V458 PolarHBondContact O-N 2.99Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.12Å; V458-I461 PolarHBondContact O-N 3.24Å; V458-I461 VanDerWaalsContact O-N 3.12Å; V458-L462 HydrophobicContact CG1-CD1 3.98Å; V458-L462 WeakPolarHBondContact O-CG 3.28Å; V458-L462 PolarHBondContact O-N 3Å; V458-I477 HydrophobicContact CG1-CD1 4.35Å; V458-I477 HydrophobicContact CG1-CG2 4.07Å; V458-I477 HydrophobicContact CG2-CD1 3.69Å; V458-I477 HydrophobicContact CG2-CG2 4.36Å
459	Q	67.8	Low	63.1	Low	111 Å²	111	73.7 Å²	73.7	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-58.2	-42.2	177.4	-171.4	-178.3	16.5	0	0	111.9	F455 L462 Q463	F455-Q459 WeakPolarHBondContact O-CB 3.31Å; F455-Q459 PolarHBondContact O-N 2.95Å; Q459-L462 PolarHBondContact O-N 3.47Å; Q459-Q463 VanDerWaalsContact O-CG 3.26Å; Q459-Q463 WeakPolarHBondContact O-CG 3.38Å; Q459-Q463 PolarHBondContact O-N 2.95Å
460	R	68.4	Low	63.4	Low	166 Å²	166	78.3 Å²	78.3	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-70	-28.4	176.5	-77	-156.8	-74.1	147.2	-10.5	113.9	V456 A457 V458 T464	V456-R460 PolarHBondContact O-N 3.37Å; V456-R460 VanDerWaalsContact O-N 3.12Å; A457-R460 PolarHBondContact O-N 3.42Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.12Å; R460-T464 WeakPolarHBondContact O-CG2 3.49Å; R460-T464 PolarHBondContact O-N 3.12Å; R460-T464 PolarHBondContact O-OG1 2.87Å
461	I	65.6	Low	63.9	Low	42 Å²	42	78.1 Å²	78.1	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-72.7	-43.6	172.9	-68.1	174.3	0	0	0	110.5	F446 L449 A457 V458 Q463 T464 N465 W468	F446-I461 HydrophobicContact CD2-CG2 4.38Å; F446-I461 HydrophobicContact CE2-CB 4.24Å; F446-I461 HydrophobicContact CE2-CG2 3.55Å; F446-I461 HydrophobicContact CZ-CG2 4.22Å; L449-I461 HydrophobicContact CD1-CD1 3.39Å; A457-I461 WeakPolarHBondContact O-CG1 3.49Å; A457-I461 PolarHBondContact O-N 3.18Å; V458-I461 PolarHBondContact O-N 3.24Å; V458-I461 VanDerWaalsContact O-N 3.12Å; I461-Q463 PolarHBondContact O-N 3.25Å; I461-T464 PolarHBondContact O-N 3.08Å; I461-T464 PolarHBondContact O-OG1 3.23Å; I461-N465 PolarHBondContact O-N 3.4Å; I461-W468 HydrophobicContact CG2-CB 4.14Å; I461-W468 HydrophobicContact CG2-CD2 4.07Å; I461-W468 HydrophobicContact CG2-CG 3.56Å
462	L	67.7	Low	64.3	Low	38 Å²	38	73.1 Å²	73.1	20%	0.199	39%	0.387	C	S	.	.	H	α-helix	trans	-56.6	-36.2	172.6	-67.8	169.1	0	0	0	112.2	V458 Q459 W468 A469 A474 L478	V458-L462 HydrophobicContact CG1-CD1 3.98Å; V458-L462 WeakPolarHBondContact O-CG 3.28Å; V458-L462 PolarHBondContact O-N 3Å; Q459-L462 PolarHBondContact O-N 3.47Å; L462-W468 VanDerWaalsContact CD2-C 3.49Å; L462-W468 HydrophobicContact CD2-CB 4Å; L462-A469 HydrophobicContact CD2-CB 4.1Å; L462-A474 HydrophobicContact CD2-CB 4.35Å; L462-L478 HydrophobicContact CD1-CD1 4.14Å; L462-L478 HydrophobicContact CD1-CD2 4.14Å; L462-L478 HydrophobicContact CD1-CG 4.42Å
463	Q	69.4	Low	64.6	Low	117 Å²	117	71 Å²	71	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-72.6	-24	174.6	-73.2	168.3	-11.1	0	0	114.7	Q459 I461	Q459-Q463 VanDerWaalsContact O-CG 3.26Å; Q459-Q463 WeakPolarHBondContact O-CG 3.38Å; Q459-Q463 PolarHBondContact O-N 2.95Å; I461-Q463 PolarHBondContact O-N 3.25Å
464	T	68	Low	64.9	Low	106 Å²	106	69.2 Å²	69.2	65%	0.65	35%	0.351	S	S	*	.	H	α-helix	trans	-87.2	-25.8	179.5	51.8	0	0	0	0	113.7	R460 I461	R460-T464 WeakPolarHBondContact O-CG2 3.49Å; R460-T464 PolarHBondContact O-N 3.12Å; R460-T464 PolarHBondContact O-OG1 2.87Å; I461-T464 PolarHBondContact O-N 3.08Å; I461-T464 PolarHBondContact O-OG1 3.23Å
465	N	59.1	Low	64.9	Low	71 Å²	71	69 Å²	69	38%	0.38	35%	0.348	S	S	.	.			trans	-155	121.5	171.2	-175.8	-12.9	0	0	0	111.2	I461 Y467 W468	I461-N465 PolarHBondContact O-N 3.4Å; N465-Y467 PolarHBondContact O-N 3.05Å; N465-Y467 VanDerWaalsContact O-N 3.11Å; N465-Y467 VanDerWaalsContact OD1-CB 3.24Å; N465-Y467 WeakPolarHBondContact OD1-CB 3.37Å; N465-Y467 PolarHBondContact OD1-N 3.18Å; N465-W468 PolarHBondContact O-N 3.34Å; N465-W468 VanDerWaalsContact O-N 3.13Å
466	P	65.4	Low	65	Low	88 Å²	88	69.1 Å²	69.1	57%	0.571	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.6	-14.2	179.7	27.5	-35.9	0	0	0	114.1	W468 A469 Y470	P466-W468 PolarHBondContact O-N 2.91Å; P466-A469 WeakPolarHBondContact O-CB 3.39Å; P466-A469 PolarHBondContact O-N 3.11Å; P466-A469 VanDerWaalsContact O-N 3.11Å; P466-Y470 WeakPolarHBondContact O-CD2 3.45Å
467	Y	57.8	Low	65	Low	121 Å²	121	65.5 Å²	65.5	48%	0.475	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-52.9	-35.5	169.8	-176.7	-100.3	0	0	0	112.2	N465 A469 Y470	N465-Y467 PolarHBondContact O-N 3.05Å; N465-Y467 VanDerWaalsContact O-N 3.11Å; N465-Y467 VanDerWaalsContact OD1-CB 3.24Å; N465-Y467 WeakPolarHBondContact OD1-CB 3.37Å; N465-Y467 PolarHBondContact OD1-N 3.18Å; Y467-A469 PolarHBondContact O-N 3.32Å; Y467-Y470 WeakPolarHBondContact O-CA 3.33Å; Y467-Y470 WeakPolarHBondContact O-CB 3.28Å; Y467-Y470 PolarHBondContact O-N 3.18Å
468	W	61.5	Low	65.2	Low	37 Å²	37	67.6 Å²	67.6	14%	0.14	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-68.3	-18.5	-179.3	-60.1	121.4	0	0	0	114.4	T442 F446 I461 L462 N465 P466 Y470 H471 A474	T442-W468 HydrophobicContact CG2-CH2 4.05Å; T442-W468 HydrophobicContact CG2-CZ3 4.05Å; F446-W468 HydrophobicContact CD2-CE3 4.15Å; F446-W468 HydrophobicContact CE2-CB 3.84Å; F446-W468 HydrophobicContact CE2-CD2 4.19Å; F446-W468 HydrophobicContact CE2-CE3 4.18Å; F446-W468 HydrophobicContact CE2-CG 4.05Å; F446-W468 HydrophobicContact CZ-CB 4.34Å; I461-W468 HydrophobicContact CG2-CB 4.14Å; I461-W468 HydrophobicContact CG2-CD2 4.07Å; I461-W468 HydrophobicContact CG2-CG 3.56Å; L462-W468 VanDerWaalsContact CD2-C 3.49Å; L462-W468 HydrophobicContact CD2-CB 4Å; N465-W468 PolarHBondContact O-N 3.34Å; N465-W468 VanDerWaalsContact O-N 3.13Å; P466-W468 PolarHBondContact O-N 2.91Å; W468-Y470 PolarHBondContact O-N 2.96Å; W468-H471 HydrophobicContact CE3-CB 4.49Å; W468-H471 WeakPolarHBondContact O-CB 3.4Å; W468-H471 PolarHBondContact O-N 3.14Å; W468-A474 WeakPolarHBondContact O-CB 3.44Å
469	A	68	Low	65.4	Low	43 Å²	43	69.9 Å²	69.9	36%	0.355	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-66.1	-20.6	170.6	0	0	0	0	0	111.9	L462 P466 Y467	L462-A469 HydrophobicContact CD2-CB 4.1Å; P466-A469 WeakPolarHBondContact O-CB 3.39Å; P466-A469 PolarHBondContact O-N 3.11Å; P466-A469 VanDerWaalsContact O-N 3.11Å; Y467-A469 PolarHBondContact O-N 3.32Å
470	Y	63.2	Low	65.5	Low	133 Å²	133	69 Å²	69	52%	0.522	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-99.6	27.9	177	-50.5	-82.3	0	0	0	112.6	H133 P466 Y467 W468	H133-Y470 HydrophobicContact CB-CD1 3.8Å; H133-Y470 HydrophobicContact CB-CG 4.32Å; H133-Y470 PolarHBondContact CD2-O 3.05Å; H133-Y470 VanDerWaalsContact CE1-CA 3.45Å; H133-Y470 WeakPolarHBondContact CE1-CA 3.34Å; H133-Y470 AromaticContact CG-CD1 3.89Å; H133-Y470 AromaticContact ND1-CD1 3.59Å; H133-Y470 PolarHBondContact NE2-O 2.92Å; P466-Y470 WeakPolarHBondContact O-CD2 3.45Å; Y467-Y470 WeakPolarHBondContact O-CA 3.33Å; Y467-Y470 WeakPolarHBondContact O-CB 3.28Å; Y467-Y470 PolarHBondContact O-N 3.18Å; W468-Y470 PolarHBondContact O-N 2.96Å
471	H	62.1	Low	65.4	Low	44 Å²	44	64.4 Å²	64.4	20%	0.204	35%	0.346	C	S	.	.			trans	-105.2	130.6	174.1	-171	-115.1	0	0	0	110.8	F446 W468 A473 A474 Q475	F446-H471 AromaticContact CG-ND1 3.82Å; W468-H471 HydrophobicContact CE3-CB 4.49Å; W468-H471 WeakPolarHBondContact O-CB 3.4Å; W468-H471 PolarHBondContact O-N 3.14Å; H471-A473 VanDerWaalsContact C-N 3.32Å; H471-A473 PolarHBondContact O-N 3.41Å; H471-A474 HydrophobicContact CB-CB 4.07Å; H471-A474 WeakPolarHBondContact O-CA 3.26Å; H471-A474 WeakPolarHBondContact O-CB 3.42Å; H471-A474 PolarHBondContact O-N 3.04Å; H471-Q475 PolarHBondContact O-N 3.03Å
472	P	63	Low	65.4	Low	48 Å²	48	68.8 Å²	68.8	31%	0.312	37%	0.366	S	S	.	.	H	α-helix	trans	-56	-39.2	-176.4	-30	36.7	0	0	0	114.7	A474 Q475 T476	P472-A474 VanDerWaalsContact C-N 3.33Å; P472-A474 PolarHBondContact O-N 3.17Å; P472-Q475 WeakPolarHBondContact O-CB 3.09Å; P472-Q475 PolarHBondContact O-N 3.49Å; P472-T476 PolarHBondContact O-N 2.91Å; P472-T476 PolarHBondContact O-OG1 3.33Å
473	A	61	Low	65.3	Low	27 Å²	27	69.2 Å²	69.2	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-34.1	175.5	0	0	0	0	0	112.3	F446 H471 T476 I477	F446-A473 HydrophobicContact CB-CB 4.33Å; F446-A473 HydrophobicContact CD1-CB 4.45Å; H471-A473 VanDerWaalsContact C-N 3.32Å; H471-A473 PolarHBondContact O-N 3.41Å; A473-T476 PolarHBondContact O-N 2.97Å; A473-I477 WeakPolarHBondContact O-CD1 3.35Å; A473-I477 WeakPolarHBondContact O-CG1 3.29Å; A473-I477 PolarHBondContact O-N 3.22Å
474	A	63	Low	65.1	Low	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-67.8	-42.6	175.4	0	0	0	0	0	111.3	F446 L462 W468 H471 P472 T476 I477 L478	F446-A474 HydrophobicContact CD1-CB 4.16Å; F446-A474 HydrophobicContact CE1-CB 3.48Å; F446-A474 VanDerWaalsContact CE1-CB 3.48Å; F446-A474 HydrophobicContact CE2-CB 4.43Å; F446-A474 HydrophobicContact CZ-CB 3.65Å; L462-A474 HydrophobicContact CD2-CB 4.35Å; W468-A474 WeakPolarHBondContact O-CB 3.44Å; H471-A474 HydrophobicContact CB-CB 4.07Å; H471-A474 WeakPolarHBondContact O-CA 3.26Å; H471-A474 WeakPolarHBondContact O-CB 3.42Å; H471-A474 PolarHBondContact O-N 3.04Å; P472-A474 VanDerWaalsContact C-N 3.33Å; P472-A474 PolarHBondContact O-N 3.17Å; A474-T476 VanDerWaalsContact C-N 3.33Å; A474-T476 PolarHBondContact O-N 2.99Å; A474-I477 PolarHBondContact O-N 2.85Å; A474-L478 WeakPolarHBondContact O-CB 3.48Å; A474-L478 VanDerWaalsContact O-CG 3.28Å; A474-L478 WeakPolarHBondContact O-CG 3.47Å; A474-L478 PolarHBondContact O-N 3.35Å
475	Q	68	Low	64.9	Low	66 Å²	66	68.7 Å²	68.7	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-55.2	-48	170.5	-72.2	-163	-51.8	0	0	111.7	H133 H471 P472 I477 L478 A479	H133-Q475 VanDerWaalsContact CE1-CG 3.49Å; H133-Q475 WeakPolarHBondContact CE1-CG 3.44Å; H133-Q475 PolarHBondContact CE1-NE2 3.27Å; H471-Q475 PolarHBondContact O-N 3.03Å; P472-Q475 WeakPolarHBondContact O-CB 3.09Å; P472-Q475 PolarHBondContact O-N 3.49Å; Q475-I477 VanDerWaalsContact C-N 3.32Å; Q475-I477 PolarHBondContact O-N 3.38Å; Q475-L478 PolarHBondContact O-N 2.83Å; Q475-A479 WeakPolarHBondContact O-CB 3.49Å; Q475-A479 PolarHBondContact O-N 3.08Å
476	T	68.3	Low	65.1	Low	81 Å²	81	71.6 Å²	71.6	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-40.4	-178.7	-57.3	0	0	0	0	111.8	P472 A473 A474 N480	P472-T476 PolarHBondContact O-N 2.91Å; P472-T476 PolarHBondContact O-OG1 3.33Å; A473-T476 PolarHBondContact O-N 2.97Å; A474-T476 VanDerWaalsContact C-N 3.33Å; A474-T476 PolarHBondContact O-N 2.99Å; T476-N480 VanDerWaalsContact O-CB 3.29Å; T476-N480 WeakPolarHBondContact O-CB 3.49Å; T476-N480 PolarHBondContact O-N 3.15Å; T476-N480 PolarHBondContact O-ND2 3.33Å
477	I	66.4	Low	64.8	Low	14 Å²	14	74.8 Å²	74.8	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-66.8	-41.8	176.2	-63.1	159.9	0	0	0	111.3	F446 S450 F455 V458 A473 A474 Q475 N480 M481	F446-I477 HydrophobicContact CD1-CD1 3.91Å; F446-I477 HydrophobicContact CE1-CD1 4.02Å; S450-I477 VanDerWaalsContact CB-CD1 3.43Å; F455-I477 HydrophobicContact CD1-CG2 3.77Å; F455-I477 HydrophobicContact CE1-CG2 3.83Å; V458-I477 HydrophobicContact CG1-CD1 4.35Å; V458-I477 HydrophobicContact CG1-CG2 4.07Å; V458-I477 HydrophobicContact CG2-CD1 3.69Å; V458-I477 HydrophobicContact CG2-CG2 4.36Å; A473-I477 WeakPolarHBondContact O-CD1 3.35Å; A473-I477 WeakPolarHBondContact O-CG1 3.29Å; A473-I477 PolarHBondContact O-N 3.22Å; A474-I477 PolarHBondContact O-N 2.85Å; Q475-I477 VanDerWaalsContact C-N 3.32Å; Q475-I477 PolarHBondContact O-N 3.38Å; I477-N480 PolarHBondContact O-N 2.66Å; I477-M481 PolarHBondContact O-N 3.01Å
478	L	70.1	Confident	64.8	Low	63 Å²	63	75.7 Å²	75.7	33%	0.33	39%	0.39	S	S	.	.	H	α-helix	trans	-68	-44.6	178.5	-70.4	168.6	0	0	0	112	L462 A474 Q475 N480 M481 E482	L462-L478 HydrophobicContact CD1-CD1 4.14Å; L462-L478 HydrophobicContact CD1-CD2 4.14Å; L462-L478 HydrophobicContact CD1-CG 4.42Å; A474-L478 WeakPolarHBondContact O-CB 3.48Å; A474-L478 VanDerWaalsContact O-CG 3.28Å; A474-L478 WeakPolarHBondContact O-CG 3.47Å; A474-L478 PolarHBondContact O-N 3.35Å; Q475-L478 PolarHBondContact O-N 2.83Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 3.24Å; L478-M481 WeakPolarHBondContact O-CA 3.48Å; L478-M481 VanDerWaalsContact O-CB 3.31Å; L478-M481 WeakPolarHBondContact O-CB 3.46Å; L478-M481 PolarHBondContact O-N 3.25Å; L478-M481 VanDerWaalsContact O-N 3.11Å; L478-E482 WeakPolarHBondContact O-CG 3.44Å; L478-E482 PolarHBondContact O-N 3.44Å
479	A	69.3	Low	64.6	Low	52 Å²	52	77 Å²	77	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-37.7	175	0	0	0	0	0	111.9	Q475 E482 A483	Q475-A479 WeakPolarHBondContact O-CB 3.49Å; Q475-A479 PolarHBondContact O-N 3.08Å; A479-E482 PolarHBondContact O-N 3.31Å; A479-A483 VanDerWaalsContact O-CB 3.31Å; A479-A483 WeakPolarHBondContact O-CB 3.32Å; A479-A483 PolarHBondContact O-N 2.92Å
480	N	69.2	Low	63.8	Low	93 Å²	93	78.6 Å²	78.6	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-38.1	172.3	-75.4	-21.5	0	0	0	112	T476 I477 L478 I484	T476-N480 VanDerWaalsContact O-CB 3.29Å; T476-N480 WeakPolarHBondContact O-CB 3.49Å; T476-N480 PolarHBondContact O-N 3.15Å; T476-N480 PolarHBondContact O-ND2 3.33Å; I477-N480 PolarHBondContact O-N 2.66Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 3.24Å; N480-I484 WeakPolarHBondContact O-CD1 3.34Å; N480-I484 VanDerWaalsContact O-CG1 3.23Å; N480-I484 WeakPolarHBondContact O-CG1 3.37Å; N480-I484 PolarHBondContact O-N 3.43Å
481	M	66.4	Low	63.3	Low	69 Å²	69	78.8 Å²	78.8	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	-61.3	-50.6	170.6	-91	-154.3	174.2	0	0	112.1	F455 I477 L478 A483 I484 I485	F455-M481 HydrophobicContact CB-CE 3.49Å; F455-M481 VanDerWaalsContact CB-CE 3.49Å; F455-M481 HydrophobicContact CD1-CE 3.42Å; F455-M481 VanDerWaalsContact CD1-CE 3.42Å; F455-M481 HydrophobicContact CD1-CG 4.02Å; F455-M481 HydrophobicContact CD2-CE 4.5Å; F455-M481 HydrophobicContact CE1-CE 4.26Å; F455-M481 HydrophobicContact CE1-CG 3.99Å; F455-M481 HydrophobicContact CG-CE 3.56Å; I477-M481 PolarHBondContact O-N 3.01Å; L478-M481 WeakPolarHBondContact O-CA 3.48Å; L478-M481 VanDerWaalsContact O-CB 3.31Å; L478-M481 WeakPolarHBondContact O-CB 3.46Å; L478-M481 PolarHBondContact O-N 3.25Å; L478-M481 VanDerWaalsContact O-N 3.11Å; M481-A483 VanDerWaalsContact C-N 3.28Å; M481-A483 PolarHBondContact O-N 2.9Å; M481-I484 PolarHBondContact O-N 2.96Å; M481-I484 VanDerWaalsContact O-N 3.08Å; M481-I485 WeakPolarHBondContact O-CG1 3.46Å; M481-I485 PolarHBondContact O-N 3.38Å
482	E	65.7	Low	62.7	Low	134 Å²	134	81 Å²	81	63%	0.626	42%	0.422	S	S	*	.	H	α-helix	trans	-59.3	-40.9	179.5	-72.6	176.5	177.4	0	0	111.2	L478 A479 I484 I485 K486	L478-E482 WeakPolarHBondContact O-CG 3.44Å; L478-E482 PolarHBondContact O-N 3.44Å; A479-E482 PolarHBondContact O-N 3.31Å; E482-I484 PolarHBondContact O-N 2.84Å; E482-I485 PolarHBondContact O-N 2.9Å; E482-K486 WeakPolarHBondContact O-CB 3.47Å; E482-K486 PolarHBondContact O-N 2.89Å
483	A	67	Low	62.1	Low	46 Å²	46	83 Å²	83	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-35.2	174.3	0	0	0	0	0	113.4	A479 M481 K487	A479-A483 VanDerWaalsContact O-CB 3.31Å; A479-A483 WeakPolarHBondContact O-CB 3.32Å; A479-A483 PolarHBondContact O-N 2.92Å; M481-A483 VanDerWaalsContact C-N 3.28Å; M481-A483 PolarHBondContact O-N 2.9Å; A483-K487 VanDerWaalsContact O-CB 3.26Å; A483-K487 WeakPolarHBondContact O-CB 3.34Å; A483-K487 VanDerWaalsContact O-CG 3.25Å; A483-K487 WeakPolarHBondContact O-CG 3.45Å; A483-K487 PolarHBondContact O-N 3.47Å
484	I	64.5	Low	61.4	Low	104 Å²	104	84.7 Å²	84.7	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-71.6	-45.8	175.2	-71.1	164	0	0	0	110.8	N480 M481 E482 K487 K488	N480-I484 WeakPolarHBondContact O-CD1 3.34Å; N480-I484 VanDerWaalsContact O-CG1 3.23Å; N480-I484 WeakPolarHBondContact O-CG1 3.37Å; N480-I484 PolarHBondContact O-N 3.43Å; M481-I484 PolarHBondContact O-N 2.96Å; M481-I484 VanDerWaalsContact O-N 3.08Å; E482-I484 PolarHBondContact O-N 2.84Å; I484-K487 PolarHBondContact O-N 3.08Å; I484-K488 PolarHBondContact O-N 2.89Å
485	I	64.8	Low	60.4	Low	109 Å²	109	88 Å²	88	56%	0.559	45%	0.454	S	S	*	.	H	α-helix	trans	-61.6	-48.3	178.2	-67.6	165.2	0	0	0	109.8	M481 E482 K488 T489	M481-I485 WeakPolarHBondContact O-CG1 3.46Å; M481-I485 PolarHBondContact O-N 3.38Å; E482-I485 PolarHBondContact O-N 2.9Å; I485-K488 WeakPolarHBondContact O-CB 3.36Å; I485-K488 PolarHBondContact O-N 3.5Å; I485-K488 VanDerWaalsContact O-N 3.14Å; I485-T489 PolarHBondContact O-N 3.28Å
486	K	63.4	Low	59.2	Low	131 Å²	131	91.4 Å²	91.4	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-44.9	177.7	-176.3	174	179.1	-179.3	0	112.2	E482 K488 T489 D490	E482-K486 WeakPolarHBondContact O-CB 3.47Å; E482-K486 PolarHBondContact O-N 2.89Å; K486-K488 PolarHBondContact O-N 2.71Å; K486-T489 WeakPolarHBondContact CA-OG1 3.31Å; K486-T489 PolarHBondContact O-N 2.98Å; K486-T489 PolarHBondContact O-OG1 3.32Å; K486-D490 WeakPolarHBondContact CE-OD2 3.49Å; K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 WeakPolarHBondContact O-CB 3.31Å; K486-D490 PolarHBondContact O-N 3.27Å
487	K	59.1	Low	57.9	Low	155 Å²	155	94.5 Å²	94.5	67%	0.674	48%	0.477	S	S	*	.	H	α-helix	trans	-59.1	-33.4	174.4	-82.8	178.8	177.4	-178.4	0	112.6	A483 I484 F491	A483-K487 VanDerWaalsContact O-CB 3.26Å; A483-K487 WeakPolarHBondContact O-CB 3.34Å; A483-K487 VanDerWaalsContact O-CG 3.25Å; A483-K487 WeakPolarHBondContact O-CG 3.45Å; A483-K487 PolarHBondContact O-N 3.47Å; I484-K487 PolarHBondContact O-N 3.08Å; K487-F491 WeakPolarHBondContact O-CB 3.26Å; K487-F491 PolarHBondContact O-N 3.09Å; K487-F491 VanDerWaalsContact O-N 3.15Å
488	K	56.2	Low	56.9	Low	140 Å²	140	100.3 Å²	100.3	61%	0.609	50%	0.501	S	S	*	.	H	α-helix	trans	-69.6	-49.3	174.9	-171.4	176.7	177.8	-175.6	0	111.6	I484 I485 K486 D490 F491 D492	I484-K488 PolarHBondContact O-N 2.89Å; I485-K488 WeakPolarHBondContact O-CB 3.36Å; I485-K488 PolarHBondContact O-N 3.5Å; I485-K488 VanDerWaalsContact O-N 3.14Å; K486-K488 PolarHBondContact O-N 2.71Å; K488-D490 VanDerWaalsContact C-N 3.3Å; K488-D490 PolarHBondContact O-N 3.42Å; K488-F491 PolarHBondContact O-N 2.99Å; K488-D492 PolarHBondContact O-N 3.37Å
489	T	58.4	Low	55.7	Low	65 Å²	65	104.9 Å²	104.9	40%	0.399	52%	0.521	S	S	.	.	H	α-helix	trans	-61.1	-39.8	177.2	54.1	0	0	0	0	112.1	I485 K486 F491 D492 I493	I485-T489 PolarHBondContact O-N 3.28Å; K486-T489 WeakPolarHBondContact CA-OG1 3.31Å; K486-T489 PolarHBondContact O-N 2.98Å; K486-T489 PolarHBondContact O-OG1 3.32Å; T489-F491 VanDerWaalsContact C-N 3.3Å; T489-F491 PolarHBondContact O-N 2.78Å; T489-D492 PolarHBondContact O-N 3.11Å; T489-I493 VanDerWaalsContact O-CB 3.29Å; T489-I493 WeakPolarHBondContact O-CB 3.25Å; T489-I493 WeakPolarHBondContact O-CD1 3.34Å; T489-I493 WeakPolarHBondContact O-CG1 3.31Å; T489-I493 PolarHBondContact O-N 2.86Å
490	D	51.3	Low	54	Low	76 Å²	76	107.5 Å²	107.5	41%	0.406	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-30.7	179.4	-64.7	-6.1	0	0	0	111.6	K486 K488 T494	K486-D490 WeakPolarHBondContact CE-OD2 3.49Å; K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 WeakPolarHBondContact O-CB 3.31Å; K486-D490 PolarHBondContact O-N 3.27Å; K488-D490 VanDerWaalsContact C-N 3.3Å; K488-D490 PolarHBondContact O-N 3.42Å; D490-T494 WeakPolarHBondContact O-CB 3.23Å; D490-T494 VanDerWaalsContact O-CG2 3.29Å; D490-T494 WeakPolarHBondContact O-CG2 3.48Å; D490-T494 PolarHBondContact O-N 3.23Å; D490-T494 VanDerWaalsContact O-N 3.15Å; D490-T494 PolarHBondContact O-OG1 3.42Å
491	F	51.5	Low	52.4	Low	137 Å²	137	109.5 Å²	109.5	60%	0.601	54%	0.543	S	S	*	.	H	α-helix	trans	-73.7	-50.8	173.1	-134.3	-79.8	0	0	0	111.7	K487 K488 T489 I493 T494 D495	K487-F491 WeakPolarHBondContact O-CB 3.26Å; K487-F491 PolarHBondContact O-N 3.09Å; K487-F491 VanDerWaalsContact O-N 3.15Å; K488-F491 PolarHBondContact O-N 2.99Å; T489-F491 VanDerWaalsContact C-N 3.3Å; T489-F491 PolarHBondContact O-N 2.78Å; F491-I493 VanDerWaalsContact C-N 3.27Å; F491-I493 PolarHBondContact O-N 3.08Å; F491-T494 PolarHBondContact O-N 3.04Å; F491-T494 VanDerWaalsContact O-N 3.1Å; F491-T494 PolarHBondContact O-OG1 2.86Å; F491-D495 PolarHBondContact O-N 3.48Å; F491-D495 VanDerWaalsContact O-N 3.08Å
492	D	49.8	Very low	50.9	Low	91 Å²	91	113.1 Å²	113.1	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-57.4	-41.5	179.4	-68	-28.5	0	0	0	110.6	K488 T489 E496	K488-D492 PolarHBondContact O-N 3.37Å; T489-D492 PolarHBondContact O-N 3.11Å; D492-E496 PolarHBondContact O-N 2.88Å
493	I	51	Low	49.4	Very low	90 Å²	90	115.1 Å²	115.1	46%	0.462	57%	0.573	S	S	.	*	H	α-helix	trans	-69	-38.7	176.1	-68.3	166.1	0	0	0	112.5	T489 F491 F497	T489-I493 VanDerWaalsContact O-CB 3.29Å; T489-I493 WeakPolarHBondContact O-CB 3.25Å; T489-I493 WeakPolarHBondContact O-CD1 3.34Å; T489-I493 WeakPolarHBondContact O-CG1 3.31Å; T489-I493 PolarHBondContact O-N 2.86Å; F491-I493 VanDerWaalsContact C-N 3.27Å; F491-I493 PolarHBondContact O-N 3.08Å; I493-F497 HydrophobicContact CG2-CD2 4.21Å; I493-F497 PolarHBondContact O-N 2.9Å
494	T	46.8	Very low	47.8	Very low	63 Å²	63	120.1 Å²	120.1	39%	0.387	59%	0.593	S	S	.	*	H	α-helix	trans	-80.1	-18.7	-175.9	51.5	0	0	0	0	114.5	D490 F491 K498	D490-T494 WeakPolarHBondContact O-CB 3.23Å; D490-T494 VanDerWaalsContact O-CG2 3.29Å; D490-T494 WeakPolarHBondContact O-CG2 3.48Å; D490-T494 PolarHBondContact O-N 3.23Å; D490-T494 VanDerWaalsContact O-N 3.15Å; D490-T494 PolarHBondContact O-OG1 3.42Å; F491-T494 PolarHBondContact O-N 3.04Å; F491-T494 VanDerWaalsContact O-N 3.1Å; F491-T494 PolarHBondContact O-OG1 2.86Å; T494-K498 VanDerWaalsContact O-CD 3.29Å; T494-K498 WeakPolarHBondContact O-CD 3.23Å; T494-K498 VanDerWaalsContact O-CG 3.26Å; T494-K498 WeakPolarHBondContact O-CG 3.49Å
495	D	41.3	Very low	46.1	Very low	70 Å²	70	121.9 Å²	121.9	37%	0.374	60%	0.603	S	S	.	*	H	α-helix	trans	-84.3	-35.4	169.2	-81.6	-22.6	0	0	0	112.7	F491 F497 K498 Q499	F491-D495 PolarHBondContact O-N 3.48Å; F491-D495 VanDerWaalsContact O-N 3.08Å; D495-F497 VanDerWaalsContact C-N 3.35Å; D495-F497 PolarHBondContact O-N 3.04Å; D495-K498 PolarHBondContact O-N 3.07Å; D495-Q499 PolarHBondContact O-N 2.94Å
496	E	43	Very low	44.7	Very low	136 Å²	136	126.4 Å²	126.4	64%	0.636	62%	0.619	S	S	*	*	H	α-helix	trans	-60	-42.8	169.9	-79.2	-159.1	126.6	0	0	112	D492 K498 Q499 T500	D492-E496 PolarHBondContact O-N 2.88Å; E496-K498 VanDerWaalsContact C-N 3.27Å; E496-K498 PolarHBondContact O-N 3.34Å; E496-Q499 PolarHBondContact O-N 3.36Å; E496-T500 WeakPolarHBondContact O-CG2 3.49Å; E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 3.5Å
497	F	40.2	Very low	43.3	Very low	146 Å²	146	128.3 Å²	128.3	64%	0.64	64%	0.635	S	S	*	*	H	α-helix	trans	-71	-15.1	178.5	-96.8	-89.2	0	0	0	114.9	I493 D495	I493-F497 HydrophobicContact CG2-CD2 4.21Å; I493-F497 PolarHBondContact O-N 2.9Å; D495-F497 VanDerWaalsContact C-N 3.35Å; D495-F497 PolarHBondContact O-N 3.04Å
498	K	46.5	Very low	42.4	Very low	136 Å²	136	125.9 Å²	125.9	59%	0.591	64%	0.638	S	S	*	*	H	α-helix	trans	-92.6	-29.4	176.1	-75.7	170.8	-169.6	159.6	0	113.4	T494 D495 E496	T494-K498 VanDerWaalsContact O-CD 3.29Å; T494-K498 WeakPolarHBondContact O-CD 3.23Å; T494-K498 VanDerWaalsContact O-CG 3.26Å; T494-K498 WeakPolarHBondContact O-CG 3.49Å; D495-K498 PolarHBondContact O-N 3.07Å; E496-K498 VanDerWaalsContact C-N 3.27Å; E496-K498 PolarHBondContact O-N 3.34Å
499	Q	43.7	Very low	41.5	Very low	160 Å²	160	129.1 Å²	129.1	75%	0.748	65%	0.652	S	S	*	*	H	α-helix	trans	-82	-28.1	177.6	-64.5	-173.4	30.1	0	0	112.7	D495 E496	D495-Q499 PolarHBondContact O-N 2.94Å; E496-Q499 PolarHBondContact O-N 3.36Å
500	T	34.2	Very low	40.4	Very low	107 Å²	107	131 Å²	131	66%	0.656	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-14.9	-175	47.4	0	0	0	0	115.4	E496	E496-T500 WeakPolarHBondContact O-CG2 3.49Å; E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 3.5Å
501	N	36.1	Very low	39.5	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	9.9	-171	-117.5	-27.3	0	0	0	115.2
502	N	35.3	Very low	38.9	Very low	146 Å²	146	132.6 Å²	132.6	78%	0.781	69%	0.694	S	S	*	*	S	Bend	trans	-114.6	23.3	-169.7	-122	-17.3	0	0	0	114.1
503	H	34.5	Very low	37.9	Very low	176 Å²	176	137 Å²	137	82%	0.815	71%	0.709	S	S	*	*			trans	-136.1	56.2	-174.2	-143.8	57.4	0	0	0	114.1
504	N	31.6	Very low	37.4	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	72%	0.721	S	S	*	*	S	Bend	trans	-157.8	137.5	161.4	-97.1	-52.2	0	0	0	111.7
505	N	30.5	Very low	36.6	Very low	141 Å²	141	144.7 Å²	144.7	75%	0.754	74%	0.736	S	S	*	*			trans	56.6	103.1	165.2	-62.1	-45.5	0	0	0	119.4
506	K	35.3	Very low	36.1	Very low	203 Å²	203	147.7 Å²	147.7	88%	0.883	75%	0.751	S	S	*	*				175.7	72.6	112.2	-92.4	162.4	-175.6	173.8	0	114.2	S508	K506-S508 PolarHBondContact O-N 2.91Å
507	D	33.5	Very low	35.6	Very low	171 Å²	171	148.2 Å²	148.2	91%	0.914	76%	0.758	S	S	*	*			trans	-80.7	95.4	157.8	-89.1	-53.5	0	0	0	110
508	S	40.6	Very low	35.4	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	76%	0.76	S	S	*	*			trans	-160.3	93.8	171.5	-84.6	0	0	0	0	114.3	K506	K506-S508 PolarHBondContact O-N 2.91Å
509	K	35.9	Very low	34.9	Very low	208 Å²	208	146.8 Å²	146.8	90%	0.904	77%	0.769	S	S	*	*			trans	49.7	99.6	145.7	-58.3	172.9	-179.2	172.6	0	118.6
510	A	36.4	Very low	34.5	Very low	105 Å²	105	146.2 Å²	146.2	87%	0.868	77%	0.767	S	S	*	*				-168.8	127.7	118.2	0	0	0	0	0	112.2
511	N	32.1	Very low	34.5	Very low	156 Å²	156	148.3 Å²	148.3	83%	0.834	77%	0.769	S	S	*	*			trans	-107.9	176.6	163	-128.2	-18.6	0	0	0	106.4
512	P	38	Very low	34.3	Very low	90 Å²	90	147.4 Å²	147.4	58%	0.584	76%	0.763	S	S	*	*			cis	-146.8	-176.4	30.2	30.8	-4.3	0	0	0	117.9
513	F	30.4	Very low	34.1	Very low	184 Å²	184	146.4 Å²	146.4	81%	0.807	76%	0.756	S	S	*	*			trans	78.6	140.8	163.3	-61.5	-63	0	0	0	117.6
514	K	38.7	Very low	34	Very low	164 Å²	164	144 Å²	144	71%	0.713	75%	0.749	S	S	*	*			cis	-151.6	143.7	12.8	-136.5	176	-173.1	178.6	0	111.8
515	Q	31.8	Very low	34	Very low	150 Å²	150	142.5 Å²	142.5	70%	0.701	74%	0.741	S	S	*	*			trans	35.4	143.3	141.7	-68.5	175.3	-48.4	0	0	120.4
516	I	30.9	Very low	34	Very low	134 Å²	134	142.2 Å²	142.2	69%	0.687	74%	0.739	S	S	*	*			cis	-166.2	142	6.2	-103.1	159.7	0	0	0	103.6
517	N	32.2	Very low	33.8	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	73%	0.726	S	S	*	*				-176.7	146.3	63.5	-148.3	11	0	0	0	110.1
518	P	36.1	Very low	33.8	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	72%	0.715	S	S	*	*			trans	-120.4	148.9	171.8	38.8	-28.2	0	0	0	115
519	N	34.3	Very low	33.3	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	72%	0.719	S	S	*	*			trans	171.3	151.4	153.5	-91.5	-2.8	0	0	0	106.8
520	E	35.7	Very low	32.9	Very low	149 Å²	149	131 Å²	131	70%	0.696	70%	0.704	S	S	*	*			cis	-153.6	160.2	11.5	-137.8	169.3	-125.6	0	0	111
521	H	35	Very low	32.7	Very low	151 Å²	151	131.4 Å²	131.4	70%	0.699	70%	0.697	S	S	*	*			trans	39.1	143.9	141	-79.2	-4	0	0	0	124.5
522	I	31.5	Very low	32.5	Very low	115 Å²	115	130.9 Å²	130.9	59%	0.59	69%	0.693	S	S	*	*			cis	-167.4	148.2	-11.5	-144.8	179.3	0	0	0	113.2
523	I	31.9	Very low	32.1	Very low	125 Å²	125	133.3 Å²	133.3	64%	0.641	71%	0.707	S	S	*	*			trans	68.6	123.9	139.2	-99.9	171.9	0	0	0	123.4
524	N	32.3	Very low	31.9	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	70%	0.704	S	S	*	*			trans	72.6	155.3	138.1	-69.9	0.9	0	0	0	123
525	N	31	Very low	31.3	Very low	120 Å²	120	127.7 Å²	127.7	64%	0.642	71%	0.706	S	S	*	*			cis	-179.7	157.7	-36.1	-110.2	-5.5	0	0	0	108.6
526	N	30.5	Very low	31.1	Very low	135 Å²	135	126.3 Å²	126.3	72%	0.722	71%	0.708	S	S	*	*			trans	67.5	152.3	151.6	-69.7	-2.2	0	0	0	117.5
527	T	31.5	Very low	30.9	Very low	98 Å²	98	126.9 Å²	126.9	60%	0.601	71%	0.711	S	S	*	*			cis	-160.1	146	-4.9	15.6	0	0	0	0	111.5
528	N	31.9	Very low	30.6	Very low	128 Å²	128	126 Å²	126	68%	0.684	71%	0.711	S	S	*	*			trans	57.1	137.2	137.3	-59.4	-2.3	0	0	0	123
529	N	31.1	Very low	30.3	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	71%	0.711	S	S	*	*			trans	72.1	150.9	143.9	-63.5	-5	0	0	0	119
530	A	28	Very low	29.9	Very low	72 Å²	72	126.9 Å²	126.9	60%	0.595	71%	0.714	S	S	*	*			cis	-168.2	170.6	-23.5	0	0	0	0	0	109.4
531	T	31.6	Very low	29.6	Very low	115 Å²	115	125.7 Å²	125.7	71%	0.706	72%	0.717	S	S	*	*			trans	55.2	113.9	157.9	49.1	0	0	0	0	119.8
532	N	28.3	Very low	29.2	Very low	144 Å²	144	123.8 Å²	123.8	77%	0.77	72%	0.721	S	S	*	*				34.3	122.2	122.2	-41.8	-14.2	0	0	0	116.8
533	T	28.6	Very low	29.2	Very low	141 Å²	141	124.2 Å²	124.2	87%	0.865	73%	0.729	S	S	*	*				-161.6	171.3	58.9	34.5	0	0	0	0	113.7
534	S	26.1	Very low	29	Very low	108 Å²	108	123.9 Å²	123.9	76%	0.755	73%	0.733	S	S	*	*			trans	-50.9	152.1	177.4	-42.3	0	0	0	0	114.2
535	T	26.8	Very low	28.8	Very low	123 Å²	123	125.1 Å²	125.1	76%	0.755	74%	0.738	S	S	*	*				-174.2	137	78.8	-66.8	0	0	0	0	112.7
536	T	27.2	Very low	28.6	Very low	121 Å²	121	122.6 Å²	122.6	74%	0.742	73%	0.734	S	S	*	*			trans	48.9	104.6	161.1	-52.3	0	0	0	0	119.4
537	I	27.1	Very low	28.5	Very low	146 Å²	146	122.8 Å²	122.8	75%	0.749	74%	0.74	S	S	*	*			trans	-87.5	127.8	157.2	-66.8	172.3	0	0	0	108.8	T539	I537-T539 HydrophobicContact CG2-CG2 3.81Å
538	T	25.1	Very low	28.3	Very low	126 Å²	126	123.1 Å²	123.1	77%	0.773	74%	0.742	S	S	*	*			trans	-83.8	116.5	163.8	47	0	0	0	0	110.2
539	T	29.9	Very low	28.1	Very low	112 Å²	112	124.9 Å²	124.9	69%	0.687	75%	0.75	S	S	*	*			trans	-124.6	112.7	171.8	34.2	0	0	0	0	110.7	I537	I537-T539 HydrophobicContact CG2-CG2 3.81Å
540	N	27.4	Very low	28	Very low	159 Å²	159	122.5 Å²	122.5	85%	0.85	74%	0.741	S	S	*	*			trans	-79.4	127.8	172.4	-60.4	-31	0	0	0	109.6
541	T	28.8	Very low	27.9	Very low	124 Å²	124	125 Å²	125	76%	0.761	75%	0.749	S	S	*	*			trans	-131.2	82.1	170.9	47.8	0	0	0	0	110.5	T543	T541-T543 PolarHBondContact O-N 3.07Å
542	S	27.8	Very low	27.8	Very low	111 Å²	111	124.6 Å²	124.6	78%	0.776	75%	0.751	S	S	*	*			trans	-78.7	99	174	-58.3	0	0	0	0	110.5	T544	S542-T544 PolarHBondContact O-N 2.94Å
543	T	29.5	Very low	27.8	Very low	125 Å²	125	124.7 Å²	124.7	77%	0.767	75%	0.752	S	S	*	*			trans	-77.6	71.2	177.6	-48.2	0	0	0	0	111.8	T541 I545	T541-T543 PolarHBondContact O-N 3.07Å; T543-I545 HydrophobicContact CG2-CD1 4.45Å; T543-I545 HydrophobicContact CG2-CG1 4.35Å
544	T	27.7	Very low	28	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.724	75%	0.748	S	S	*	*			trans	-87.2	103.7	168	-57.9	0	0	0	0	109.3	S542 A546	S542-T544 PolarHBondContact O-N 2.94Å; T544-A546 HydrophobicContact CG2-CB 4.35Å
545	I	29.5	Very low	28.2	Very low	149 Å²	149	125.5 Å²	125.5	76%	0.764	75%	0.746	S	S	*	*			trans	-103.9	85.4	165.8	-57	-178.3	0	0	0	108.1	T543	T543-I545 HydrophobicContact CG2-CD1 4.45Å; T543-I545 HydrophobicContact CG2-CG1 4.35Å
546	A	26.9	Very low	28.3	Very low	67 Å²	67	126.2 Å²	126.2	55%	0.554	75%	0.745	S	S	*	*			trans	-89.7	124.2	165.1	0	0	0	0	0	108.6	T544 T548	T544-A546 HydrophobicContact CG2-CB 4.35Å; A546-T548 PolarHBondContact O-N 3.35Å
547	T	27.9	Very low	28.4	Very low	139 Å²	139	126.5 Å²	126.5	85%	0.853	74%	0.742	S	S	*	*			trans	-79.5	64.6	-178.9	-12.1	0	0	0	0	111.5	I549	T547-I549 PolarHBondContact O-N 3.06Å
548	T	28	Very low	28.9	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.644	74%	0.744	S	S	*	*			trans	-79	108.8	175.5	-44.6	0	0	0	0	109.6	A546 T550	A546-T548 PolarHBondContact O-N 3.35Å; T548-T550 VanDerWaalsContact C-N 3.33Å; T548-T550 WeakPolarHBondContact CG2-OG1 3.23Å; T548-T550 PolarHBondContact O-N 3.12Å
549	I	28.1	Very low	29.1	Very low	165 Å²	165	128.7 Å²	128.7	85%	0.846	74%	0.744	S	S	*	*			trans	-78.6	87.6	170.2	-57.9	178.5	0	0	0	107.7	T547	T547-I549 PolarHBondContact O-N 3.06Å
550	T	28.2	Very low	29.2	Very low	102 Å²	102	128.7 Å²	128.7	63%	0.626	75%	0.749	S	S	*	*			trans	-84.2	118.9	-179.1	-51.6	0	0	0	0	110.7	T548 S552	T548-T550 VanDerWaalsContact C-N 3.33Å; T548-T550 WeakPolarHBondContact CG2-OG1 3.23Å; T548-T550 PolarHBondContact O-N 3.12Å; T550-S552 PolarHBondContact O-N 3.23Å
551	T	25.4	Very low	29.3	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	75%	0.749	S	S	*	*			trans	-73.9	119.7	170.7	49.7	0	0	0	0	110.6
552	S	30.5	Very low	29.5	Very low	107 Å²	107	135 Å²	135	75%	0.748	75%	0.753	S	S	*	*			trans	-108.9	114.8	176.7	-62.7	0	0	0	0	110.5	T550	T550-S552 PolarHBondContact O-N 3.23Å
553	N	26.9	Very low	29.7	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	75%	0.748	S	S	*	*			trans	-89.9	127.3	177.6	-73.5	-14.2	0	0	0	111.7
554	T	32.8	Very low	29.9	Very low	128 Å²	128	136.8 Å²	136.8	79%	0.785	75%	0.748	S	S	*	*			trans	-141.7	118.5	160.1	50.1	0	0	0	0	106.3
555	I	30.4	Very low	30	Very low	138 Å²	138	137.3 Å²	137.3	71%	0.708	75%	0.754	S	S	*	*			cis	59.2	97.7	49.2	-51.5	179.6	0	0	0	107.5
556	D	30.4	Very low	29.9	Very low	137 Å²	137	137.7 Å²	137.7	73%	0.733	76%	0.758	S	S	*	*			cis	-146.5	172.4	18.9	-82.6	-45.1	0	0	0	114.5
557	D	29.2	Very low	30	Very low	128 Å²	128	139.5 Å²	139.5	68%	0.684	77%	0.766	S	S	*	*			trans	37.5	109.8	149.6	-76.9	-28.1	0	0	0	121.5
558	H	37.2	Very low	30.1	Very low	173 Å²	173	142.7 Å²	142.7	80%	0.801	77%	0.769	S	S	*	*				-173.9	153.3	86.6	-97.6	-41.9	0	0	0	115.1
559	N	29.1	Very low	30.1	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	77%	0.773	S	S	*	*			trans	-58.5	131.7	-176.1	-59.9	-70.2	0	0	0	115.5
560	S	32.2	Very low	30.1	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	78%	0.775	S	S	*	*				176.5	102.9	106.3	41.3	0	0	0	0	115.9
561	R	28.7	Very low	30.1	Very low	226 Å²	226	150.5 Å²	150.5	85%	0.853	79%	0.786	S	S	*	*				36.5	99.4	118.3	-170.8	-168.7	-162.2	179	6.4	118.6
562	F	33.2	Very low	30.2	Very low	191 Å²	191	149.2 Å²	149.2	84%	0.838	78%	0.782	S	S	*	*				-161.2	175.2	124.9	-105.4	-69.2	0	0	0	110.1
563	N	32.4	Very low	30	Very low	127 Å²	127	153 Å²	153	68%	0.679	79%	0.793	S	S	*	*			trans	-106.2	-178.6	-154	-59.2	-16.6	0	0	0	115.5
564	D	32.5	Very low	29.9	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	79%	0.788	S	S	*	*			trans	83.2	103.4	155.7	-51.7	-28.8	0	0	0	118.6
565	P	30.6	Very low	29.7	Very low	130 Å²	130	153.8 Å²	153.8	84%	0.844	79%	0.791	S	S	*	*			trans	-111.4	80.9	174.1	38.3	-27.1	0	0	0	112.6
566	D	28.1	Very low	29.6	Very low	157 Å²	157	157.2 Å²	157.2	84%	0.84	80%	0.801	S	S	*	*			trans	-137.2	72.9	179.3	-125.8	-21.2	0	0	0	112.7
567	S	28.7	Very low	29.3	Very low	104 Å²	104	158.6 Å²	158.6	73%	0.727	81%	0.808	S	S	*	*			trans	175.4	108	151.8	37.4	0	0	0	0	113.4
568	F	29.8	Very low	29.3	Very low	207 Å²	207	157.8 Å²	157.8	91%	0.908	81%	0.813	S	S	*	*			trans	-135	71.6	160.4	-88.6	-75	0	0	0	111.4	F570	F568-F570 PolarHBondContact O-N 3.39Å
569	S	28.5	Very low	28.8	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	81%	0.811	S	S	*	*			trans	-69.9	114.5	161.5	61.8	0	0	0	0	109.2	R571	S569-R571 PolarHBondContact O-N 3.16Å
570	F	27.5	Very low	29	Very low	206 Å²	206	156.3 Å²	156.3	90%	0.904	82%	0.818	S	S	*	*			trans	-66.9	100.6	170.4	-108.3	-90.9	0	0	0	109.7	F568	F568-F570 PolarHBondContact O-N 3.39Å
571	R	29	Very low	28.9	Very low	225 Å²	225	158.6 Å²	158.6	85%	0.849	82%	0.816	S	S	*	*			trans	-84.1	133.3	-177.4	-159.6	178	-169.2	-171.3	5.1	109.5	S569 L573	S569-R571 PolarHBondContact O-N 3.16Å; R571-L573 PolarHBondContact O-N 2.67Å
572	S	27.7	Very low	28.8	Very low	99 Å²	99	154.5 Å²	154.5	69%	0.692	81%	0.81	S	S	*	*			trans	-52.8	133.8	-173.6	-44.6	0	0	0	0	113.4	S574	S572-S574 PolarHBondContact O-N 2.85Å
573	L	25	Very low	28.7	Very low	187 Å²	187	151.2 Å²	151.2	98%	0.979	81%	0.808	S	S	*	*			trans	-77.4	64	174	-82.7	166.3	0	0	0	111.6	R571	R571-L573 PolarHBondContact O-N 2.67Å
574	S	25.4	Very low	28.3	Very low	96 Å²	96	151.6 Å²	151.6	67%	0.671	81%	0.809	S	S	*	*			trans	-110.6	64.1	173.8	52.7	0	0	0	0	111.2	S572	S572-S574 PolarHBondContact O-N 2.85Å
575	K	28.8	Very low	28.2	Very low	194 Å²	194	151.5 Å²	151.5	84%	0.843	81%	0.813	S	S	*	*			trans	-161.4	87.3	174	-112.1	161.2	-171.3	-176.6	0	113.1
576	F	27.8	Very low	28	Very low	210 Å²	210	150.7 Å²	150.7	92%	0.921	81%	0.806	S	S	*	*			trans	-148.2	66.5	158.4	-106.9	-71.2	0	0	0	109.9
577	N	24.7	Very low	28.2	Very low	166 Å²	166	153 Å²	153	89%	0.888	81%	0.812	S	S	*	*			trans	-165	107.5	159.9	-103	-18.5	0	0	0	107.1
578	S	29.5	Very low	28.1	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	81%	0.81	S	S	*	*			trans	-151	106.9	177.5	55.9	0	0	0	0	110
579	S	26.8	Very low	28.2	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	80%	0.804	S	S	*	*			trans	12.1	120.5	160.9	-46.4	0	0	0	0	119.6
580	I	31.5	Very low	28.3	Very low	176 Å²	176	150.5 Å²	150.5	90%	0.903	80%	0.801	S	S	*	*			trans	-125	133	138.6	-62.6	-179	0	0	0	106
581	E	31.3	Very low	28.2	Very low	159 Å²	159	146.6 Å²	146.6	74%	0.743	79%	0.794	S	S	*	*			trans	-104.6	135.3	-167.8	-62.8	175.8	117.3	0	0	112.9
582	L	27.1	Very low	28.2	Very low	141 Å²	141	141.3 Å²	141.3	74%	0.738	79%	0.787	S	S	*	*			trans	63.5	170	144.3	-67.8	173	0	0	0	118
583	P	30	Very low	28.1	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	79%	0.792	S	S	*	*			cis	-113.6	177.5	-1.4	41.3	-30	0	0	0	115.1
584	I	25.4	Very low	28.3	Very low	136 Å²	136	139.9 Å²	139.9	70%	0.697	78%	0.782	S	S	*	*			trans	-91.2	139.8	-178.8	-59.1	155.1	0	0	0	110.2	T586	I584-T586 HydrophobicContact CG2-CG2 4.19Å
585	T	30.4	Very low	28.1	Very low	143 Å²	143	140.8 Å²	140.8	88%	0.877	79%	0.789	S	S	*	*			trans	-132.7	133	154.3	47.7	0	0	0	0	110.4
586	T	26.1	Very low	28.1	Very low	113 Å²	113	137.1 Å²	137.1	69%	0.693	78%	0.782	S	S	*	*			trans	-98.5	109.2	-173.8	47.9	0	0	0	0	111.9	I584	I584-T586 HydrophobicContact CG2-CG2 4.19Å
587	E	31.2	Very low	27.9	Very low	204 Å²	204	133.4 Å²	133.4	95%	0.953	78%	0.777	S	S	*	*			trans	-93	110	164.7	-95.5	170.8	-130.7	0	0	115.5
588	T	26.4	Very low	28.1	Very low	111 Å²	111	132.5 Å²	132.5	68%	0.681	77%	0.771	S	S	*	*			trans	-115.1	113.4	-176.1	-51.8	0	0	0	0	114.1
589	T	32.3	Very low	27.8	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	77%	0.769	S	S	*	*			trans	179.2	156	155	35.9	0	0	0	0	108.9
590	N	29.7	Very low	28	Very low	123 Å²	123	133.9 Å²	133.9	66%	0.658	77%	0.77	S	S	*	*			cis	173.5	117.9	-28	-105.5	-4.1	0	0	0	105.6
591	T	26.7	Very low	27.6	Very low	125 Å²	125	132.6 Å²	132.6	77%	0.767	77%	0.765	S	S	*	*			trans	66.6	154.9	143.8	67.8	0	0	0	0	122.8
592	T	29	Very low	27.6	Very low	113 Å²	113	133 Å²	133	69%	0.693	77%	0.771	S	S	*	*			trans	91.2	75.4	150.7	-40.3	0	0	0	0	118.6
593	T	24.6	Very low	27.5	Very low	130 Å²	130	131.8 Å²	131.8	80%	0.798	77%	0.769	S	S	*	*				-2	124.6	128.7	-42	0	0	0	0	117
594	T	29	Very low	27.5	Very low	126 Å²	126	133 Å²	133	77%	0.773	77%	0.769	S	S	*	*			trans	-156.3	123.4	147.1	-7.7	0	0	0	0	111.2
595	S	22.3	Very low	27.7	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	77%	0.774	S	S	*	*			trans	-90.9	128.4	172.2	-54.3	0	0	0	0	109.5
596	T	29.4	Very low	27.6	Very low	116 Å²	116	137.4 Å²	137.4	71%	0.712	77%	0.774	S	S	*	*			trans	-140.7	112	170.8	-22.5	0	0	0	0	110.8
597	T	23.8	Very low	27.9	Very low	132 Å²	132	137 Å²	137	81%	0.81	77%	0.773	S	S	*	*			trans	-78.7	123.4	172.1	-50.3	0	0	0	0	109.2
598	I	28.5	Very low	27.8	Very low	147 Å²	147	134.9 Å²	134.9	75%	0.754	77%	0.767	S	S	*	*			trans	-130.4	113.4	165.7	-60	-177.6	0	0	0	108.8
599	T	23.2	Very low	27.8	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	77%	0.772	S	S	*	*			trans	-96.8	124.4	170.1	48.5	0	0	0	0	110
600	T	30.2	Very low	27.5	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	78%	0.777	S	S	*	*			trans	-158.5	146.3	148	32.9	0	0	0	0	109.7
601	D	24.3	Very low	27.3	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	78%	0.781	S	S	*	*			trans	-62.2	157	178.9	-47.9	-91.5	0	0	0	113.7
602	I	29.8	Very low	27.3	Very low	168 Å²	168	140.8 Å²	140.8	86%	0.862	78%	0.776	S	S	*	*				-168.3	137.3	112.7	-93.3	151.7	0	0	0	109.4
603	T	24.6	Very low	27.2	Very low	115 Å²	115	143.2 Å²	143.2	71%	0.706	78%	0.783	S	S	*	*			trans	-71.4	143.1	178	50.9	0	0	0	0	112.9
604	N	30.4	Very low	27.3	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	78%	0.779	S	S	*	*				-179.1	113.1	128	-92.1	-33	0	0	0	116
605	H	29	Very low	27.4	Very low	175 Å²	175	143.2 Å²	143.2	81%	0.81	77%	0.773	S	S	*	*			trans	36.8	109.6	138.4	-75.4	-74.8	0	0	0	124.3
606	F	29.6	Very low	27.6	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.864	77%	0.77	S	S	*	*				-38.3	179	129.9	-85.9	-87.6	0	0	0	116.1
607	P	32.8	Very low	27.4	Very low	105 Å²	105	144.7 Å²	144.7	68%	0.682	77%	0.773	S	S	*	*			cis	-137.7	163.3	-1.5	28.3	-6.2	0	0	0	117.7
608	L	28.7	Very low	27.4	Very low	159 Å²	159	145.3 Å²	145.3	83%	0.832	77%	0.772	S	S	*	*			trans	-148.5	152.2	152.2	-68.9	176.4	0	0	0	110.6
609	K	26.5	Very low	27.2	Very low	180 Å²	180	146.5 Å²	146.5	78%	0.783	77%	0.774	S	S	*	*			cis	-170.8	104.1	-33.8	-158.7	-177.1	-166.4	178.2	0	111.4
610	F	25	Very low	27.5	Very low	203 Å²	203	146.3 Å²	146.3	89%	0.89	77%	0.767	S	S	*	*			trans	-149.8	100.2	160.1	-109.1	-69.3	0	0	0	115.1
611	T	26.1	Very low	27.3	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	77%	0.77	S	S	*	*			trans	28.5	103.2	154.5	-39.8	0	0	0	0	121.7
612	T	25.7	Very low	27.4	Very low	107 Å²	107	149.9 Å²	149.9	66%	0.656	77%	0.772	S	S	*	*			trans	-86.2	145.4	159.7	-52	0	0	0	0	112	N614	T612-N614 HydrophobicContact CG2-CB 3.96Å
613	I	27.8	Very low	27.2	Very low	164 Å²	164	148.5 Å²	148.5	84%	0.841	77%	0.765	S	S	*	*			trans	-130.8	123.1	142.8	-60.1	-177.1	0	0	0	107.8
614	N	26.4	Very low	27.3	Very low	134 Å²	134	148.8 Å²	148.8	72%	0.717	76%	0.762	S	S	*	*			trans	-128.2	145.9	-177.4	-101.2	-21.2	0	0	0	110.2	T612	T612-N614 HydrophobicContact CG2-CB 3.96Å
615	N	31.5	Very low	27.2	Very low	122 Å²	122	148 Å²	148	65%	0.652	76%	0.758	S	S	*	*			trans	67.2	144.9	169.2	-94.5	-35.3	0	0	0	116.2	L617	N615-L617 PolarHBondContact OD1-N 2.98Å
616	P	25.8	Very low	27.3	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	75%	0.747	S	S	*	*				-133.7	95.5	78.8	37.6	-24.3	0	0	0	115.6	N618	P616-N618 PolarHBondContact O-N 3.42Å
617	L	25.6	Very low	27.3	Very low	149 Å²	149	138.9 Å²	138.9	78%	0.78	73%	0.725	S	S	*	*			trans	-70.3	78.4	137.6	-86.5	83.6	0	0	0	108.6	N615	N615-L617 PolarHBondContact OD1-N 2.98Å
618	N	25	Very low	27.2	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	72%	0.722	S	S	*	*	S	Bend	trans	169	74.5	156.3	-91.9	-26.9	0	0	0	110.9	P616	P616-N618 PolarHBondContact O-N 3.42Å
619	H	24.3	Very low	27.4	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.796	70%	0.704	S	S	*	*			trans	-175.6	154	148.8	-105.8	-71.7	0	0	0	109
620	I	28.5	Very low	27.5	Very low	116 Å²	116	133.9 Å²	133.9	60%	0.595	70%	0.695	S	S	*	*			trans	68.5	113.2	171.5	-55.4	152.4	0	0	0	113.7	K622 I623	I620-K622 HydrophobicContact CG2-CB 4.34Å; I620-K622 WeakPolarHBondContact CG2-O 3.41Å; I620-I623 HydrophobicContact CG2-CG1 4.15Å
621	N	25.6	Very low	27.6	Very low	162 Å²	162	130.6 Å²	130.6	87%	0.866	69%	0.686	S	S	*	*	S	Bend	cis	53	82.7	7.5	-80.9	-11.3	0	0	0	114.5
622	K	26.3	Very low	27.7	Very low	192 Å²	192	127.8 Å²	127.8	84%	0.835	67%	0.672	S	S	*	*			trans	99.3	75.9	-172.5	-60.2	176.3	178.8	-175.8	0	115.1	I620	I620-K622 HydrophobicContact CG2-CB 4.34Å; I620-K622 WeakPolarHBondContact CG2-O 3.41Å
623	I	26.2	Very low	27.9	Very low	140 Å²	140	128.5 Å²	128.5	72%	0.718	67%	0.672	S	S	*	*			trans	-113	121.3	145.9	-63.7	179.4	0	0	0	105.2	I620	I620-I623 HydrophobicContact CG2-CG1 4.15Å
624	D	25.8	Very low	27.8	Very low	121 Å²	121	131.4 Å²	131.4	65%	0.647	67%	0.672	S	S	*	*			trans	-70.9	155.6	-173.9	-88.4	-59.8	0	0	0	112.4	Q626 S627	D624-Q626 PolarHBondContact O-N 2.8Å; D624-S627 PolarHBondContact O-N 2.82Å
625	N	28.6	Very low	27.7	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-14.9	179.2	-62.5	-59.3	0	0	0	113.6	I628	N625-I628 PolarHBondContact O-N 3.41Å
626	Q	32.5	Very low	27.5	Very low	123 Å²	123	131 Å²	131	58%	0.575	68%	0.676	S	S	*	*	H	α-helix	trans	-65.7	-39.3	-179.2	-156.9	65.4	22.1	0	0	113.3	D624 I628 I629 E630	D624-Q626 PolarHBondContact O-N 2.8Å; Q626-I628 PolarHBondContact O-N 3.23Å; Q626-I629 WeakPolarHBondContact O-CB 3.36Å; Q626-I629 PolarHBondContact O-N 3.46Å; Q626-E630 PolarHBondContact O-N 3.36Å
627	S	29	Very low	27.6	Very low	59 Å²	59	133.6 Å²	133.6	41%	0.413	68%	0.676	S	S	.	*	H	α-helix	trans	-69.1	-19.1	-178.8	-57.6	0	0	0	0	113.3	D624 L631	D624-S627 PolarHBondContact O-N 2.82Å; S627-L631 WeakPolarHBondContact O-CG 3.24Å
628	I	29.8	Very low	27.7	Very low	119 Å²	119	135.7 Å²	135.7	61%	0.61	68%	0.679	S	S	*	*	H	α-helix	trans	-75.9	-29.5	174	-60.9	176.2	0	0	0	110.6	N625 Q626 S632	N625-I628 PolarHBondContact O-N 3.41Å; Q626-I628 PolarHBondContact O-N 3.23Å; I628-S632 PolarHBondContact O-N 2.89Å
629	I	33.2	Very low	27.7	Very low	89 Å²	89	133.8 Å²	133.8	46%	0.456	68%	0.677	S	S	.	*	H	α-helix	trans	-77.3	-26.9	-179.6	-61.2	169.3	0	0	0	111.9	Q626 S632 N633	Q626-I629 WeakPolarHBondContact O-CB 3.36Å; Q626-I629 PolarHBondContact O-N 3.46Å; I629-S632 PolarHBondContact O-OG 3.25Å; I629-N633 PolarHBondContact O-ND2 2.85Å
630	E	29.2	Very low	27.8	Very low	130 Å²	130	131.7 Å²	131.7	61%	0.607	67%	0.67	S	S	*	*	H	α-helix	trans	-76.9	-34.1	174.4	-65.4	-173.8	146.3	0	0	112.2	Q626 S632 N633	Q626-E630 PolarHBondContact O-N 3.36Å; E630-S632 PolarHBondContact O-N 3.41Å; E630-N633 PolarHBondContact O-N 3.47Å
631	L	27.4	Very low	27.7	Very low	134 Å²	134	135.1 Å²	135.1	70%	0.702	68%	0.684	S	S	*	*	H	α-helix	trans	-72	-24.5	178.2	-70.7	172.4	0	0	0	113.5	S627 N633	S627-L631 WeakPolarHBondContact O-CG 3.24Å; L631-N633 PolarHBondContact O-N 3.48Å
632	S	26.8	Very low	27.8	Very low	63 Å²	63	135.3 Å²	135.3	44%	0.441	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-67.5	-16.6	173.7	40.3	0	0	0	0	114.4	I628 I629 E630 W634	I628-S632 PolarHBondContact O-N 2.89Å; I629-S632 PolarHBondContact O-OG 3.25Å; E630-S632 PolarHBondContact O-N 3.41Å; S632-W634 PolarHBondContact O-N 3.09Å
633	N	29.7	Very low	27.7	Very low	123 Å²	123	133 Å²	133	66%	0.658	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-87	-2	-172.8	-60.7	-26.5	0	0	0	114.4	I629 E630 L631	I629-N633 PolarHBondContact O-ND2 2.85Å; E630-N633 PolarHBondContact O-N 3.47Å; L631-N633 PolarHBondContact O-N 3.48Å
634	W	25.9	Very low	28	Very low	225 Å²	225	133 Å²	133	85%	0.852	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-102.6	8.7	-177.3	-86.6	86.7	0	0	0	114.8	S632	S632-W634 PolarHBondContact O-N 3.09Å
635	L	26	Very low	28.1	Very low	119 Å²	119	134 Å²	134	62%	0.623	68%	0.681	S	S	*	*	S	Bend	trans	-102.2	119.2	175.5	-74.1	168.8	0	0	0	111	F637	L635-F637 HydrophobicContact CB-CD2 4.36Å; L635-F637 HydrophobicContact CB-CE2 4.13Å; L635-F637 WeakPolarHBondContact O-CD2 3.44Å; L635-F637 PolarHBondContact O-N 3Å
636	P	26.6	Very low	28.2	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	69%	0.687	S	S	*	*			trans	-75.8	86.3	176.4	30.9	-34	0	0	0	110.8	K638	P636-K638 PolarHBondContact O-N 3.44Å
637	F	26.8	Very low	28	Very low	169 Å²	169	136 Å²	136	74%	0.741	69%	0.694	S	S	*	*			trans	-62.6	113.5	170.3	-78.1	-87.4	0	0	0	110.5	L635 S639	L635-F637 HydrophobicContact CB-CD2 4.36Å; L635-F637 HydrophobicContact CB-CE2 4.13Å; L635-F637 WeakPolarHBondContact O-CD2 3.44Å; L635-F637 PolarHBondContact O-N 3Å; F637-S639 PolarHBondContact O-N 3.26Å
638	K	29	Very low	28.1	Very low	193 Å²	193	139.2 Å²	139.2	84%	0.839	72%	0.717	S	S	*	*			trans	-89.4	86.1	167.4	-167	-178.7	-176	-173.8	0	109	P636 I640	P636-K638 PolarHBondContact O-N 3.44Å; K638-I640 PolarHBondContact O-N 2.89Å
639	S	25.3	Very low	28.1	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	72%	0.721	S	S	*	*			trans	-54.7	127	173.9	-57.1	0	0	0	0	110.7	F637	F637-S639 PolarHBondContact O-N 3.26Å
640	I	25.5	Very low	28	Very low	127 Å²	127	139.3 Å²	139.3	65%	0.651	74%	0.735	S	S	*	*			trans	-108.5	112.1	167.1	-64.3	176.3	0	0	0	105.9	K638 F642	K638-I640 PolarHBondContact O-N 2.89Å; I640-F642 HydrophobicContact CB-CE2 4.44Å; I640-F642 HydrophobicContact CG2-CD2 4.02Å; I640-F642 HydrophobicContact CG2-CE2 3.78Å; I640-F642 PolarHBondContact O-N 2.98Å
641	E	25.6	Very low	28.1	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	74%	0.741	S	S	*	*			trans	-71.9	110	173.6	-66	179.9	138.6	0	0	109
642	F	27.7	Very low	28.3	Very low	166 Å²	166	138.4 Å²	138.4	73%	0.728	74%	0.744	S	S	*	*			trans	-82.1	117.8	168.1	-87.8	-93.9	0	0	0	109.1	I640 D644	I640-F642 HydrophobicContact CB-CE2 4.44Å; I640-F642 HydrophobicContact CG2-CD2 4.02Å; I640-F642 HydrophobicContact CG2-CE2 3.78Å; I640-F642 PolarHBondContact O-N 2.98Å; F642-D644 VanDerWaalsContact C-N 3.28Å; F642-D644 PolarHBondContact O-N 3.4Å
643	N	25.7	Very low	28.6	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	76%	0.761	S	S	*	*			trans	-87.9	62.6	-172.9	-163.8	18.8	0	0	0	111.3	N645	N643-N645 PolarHBondContact O-N 3.16Å
644	D	31.5	Very low	28.7	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	77%	0.767	S	S	*	*			trans	-79	106.9	-176.9	-80.4	-37.6	0	0	0	112.2	F642 H646	F642-D644 VanDerWaalsContact C-N 3.28Å; F642-D644 PolarHBondContact O-N 3.4Å; D644-H646 PolarHBondContact O-N 3.42Å; D644-H646 VanDerWaalsContact O-N 3.08Å
645	N	27.4	Very low	29.1	Very low	143 Å²	143	134.3 Å²	134.3	77%	0.765	76%	0.76	S	S	*	*			trans	-72.7	93	175.3	-73.8	-81.8	0	0	0	111.3	N643	N643-N645 PolarHBondContact O-N 3.16Å
646	H	31.4	Very low	29.5	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.796	76%	0.763	S	S	*	*			trans	-144.6	100.9	166.3	-109.6	-79.6	0	0	0	115.8	D644	D644-H646 PolarHBondContact O-N 3.42Å; D644-H646 VanDerWaalsContact O-N 3.08Å
647	V	29.1	Very low	30.1	Very low	121 Å²	121	132.1 Å²	132.1	73%	0.733	76%	0.757	S	S	*	*			trans	52.5	94.3	144.8	-171.6	0	0	0	0	117.8
648	S	31.2	Very low	30.6	Very low	126 Å²	126	129.2 Å²	129.2	88%	0.881	76%	0.758	S	S	*	*			trans	-72.4	129.7	154.5	-58.3	0	0	0	0	110.7
649	S	29.3	Very low	31.1	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	75%	0.754	S	S	*	*			trans	-95.7	155.6	174.1	58.9	0	0	0	0	111.9
650	S	30.3	Very low	31.8	Very low	109 Å²	109	124.8 Å²	124.8	76%	0.762	75%	0.751	S	S	*	*			trans	69	150	179.5	77.6	0	0	0	0	115.7
651	T	31.3	Very low	32.5	Very low	119 Å²	119	123.8 Å²	123.8	73%	0.73	76%	0.756	S	S	*	*			cis	-148.4	147	11.1	-19.4	0	0	0	0	112.2
652	V	31.3	Very low	33.1	Very low	127 Å²	127	119.6 Å²	119.6	77%	0.77	75%	0.747	S	S	*	*			trans	30.8	119.1	161.5	-138.2	0	0	0	0	120.4
653	S	33.4	Very low	33.6	Very low	113 Å²	113	116.5 Å²	116.5	79%	0.79	75%	0.746	S	S	*	*				174.2	139.5	109.4	-75.1	0	0	0	0	114.5
654	S	31.8	Very low	34.2	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	75%	0.751	S	S	*	*			trans	-49.6	158.2	170.4	56.1	0	0	0	0	114.6
655	S	35.4	Very low	34.5	Very low	99 Å²	99	116 Å²	116	69%	0.692	75%	0.751	S	S	*	*			cis	-165.2	168.1	36.8	53.5	0	0	0	0	114.5
656	S	34.7	Very low	35.3	Very low	100 Å²	100	114.8 Å²	114.8	70%	0.699	75%	0.75	S	S	*	*			trans	30	139.2	144.5	58.9	0	0	0	0	121.8
657	S	37.6	Very low	35.5	Very low	100 Å²	100	111.9 Å²	111.9	70%	0.699	75%	0.75	S	S	*	*			cis	-179	162.7	3.4	44.8	0	0	0	0	111.6
658	S	38.6	Very low	36.3	Very low	108 Å²	108	111.6 Å²	111.6	76%	0.755	75%	0.75	S	S	*	*			trans	59.7	149.2	151.6	54.2	0	0	0	0	118.5
659	S	39.4	Very low	36.7	Very low	107 Å²	107	111 Å²	111	75%	0.748	75%	0.746	S	S	*	*			cis	-179.2	160.8	-4.2	42.8	0	0	0	0	105.8
660	S	39.6	Very low	37.1	Very low	98 Å²	98	111 Å²	111	69%	0.685	75%	0.746	S	S	*	*			cis	-172.2	173.3	-2.1	41.7	0	0	0	0	108.1
661	S	40.3	Very low	37.3	Very low	107 Å²	107	113.4 Å²	113.4	75%	0.748	75%	0.749	S	S	*	*			trans	63.1	142.5	152.5	45	0	0	0	0	119.7
662	S	39.2	Very low	37.4	Very low	100 Å²	100	113.4 Å²	113.4	70%	0.699	75%	0.752	S	S	*	*			cis	-173.7	144.5	-9.1	46.4	0	0	0	0	111.7
663	S	36.6	Very low	37.3	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	75%	0.753	S	S	*	*			trans	42.3	139	141	69.1	0	0	0	0	121
664	L	38	Very low	37.7	Very low	169 Å²	169	113.9 Å²	113.9	89%	0.885	75%	0.747	S	S	*	*				-153.1	171.3	52.4	-85.2	165.7	0	0	0	113.6
665	S	38.3	Very low	37.6	Very low	105 Å²	105	113.5 Å²	113.5	73%	0.734	74%	0.74	S	S	*	*			trans	-113.5	-162.3	-178.8	68.3	0	0	0	0	109.7
666	P	44	Very low	37.4	Very low	117 Å²	117	117.5 Å²	117.5	76%	0.76	75%	0.748	S	S	*	*			cis	-139.8	-174.8	18.9	42.9	-21.3	0	0	0	118.2
667	S	36.5	Very low	37.3	Very low	112 Å²	112	118 Å²	118	78%	0.783	75%	0.751	S	S	*	*			trans	-87.6	-142.2	-176.8	-35.5	0	0	0	0	112
668	P	45.6	Very low	36.8	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	76%	0.759	S	S	*	*			cis	-144.8	-162.6	14.8	46.2	-24.5	0	0	0	117.9
669	S	38.9	Very low	36.6	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	77%	0.767	S	S	*	*			trans	86	155.6	174.1	86.6	0	0	0	0	115.3
670	S	37.9	Very low	36	Very low	100 Å²	100	125.7 Å²	125.7	70%	0.699	76%	0.763	S	S	*	*			cis	-176.7	173.7	-22.6	55	0	0	0	0	108.9
671	I	35.1	Very low	35.8	Very low	160 Å²	160	127.8 Å²	127.8	82%	0.821	77%	0.772	S	S	*	*			cis	-171.2	138.6	-28	-96.4	169.3	0	0	0	103.9
672	C	32.5	Very low	35.1	Very low	119 Å²	119	129.3 Å²	129.3	80%	0.804	77%	0.771	S	S	*	*			cis	-153.8	-150.7	1.3	-148.8	0	0	0	0	111.9
673	N	30.9	Very low	34.8	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	78%	0.783	S	S	*	*			trans	-146.5	-168	175.3	-120.1	-23.2	0	0	0	106.3
674	P	40.4	Very low	34.5	Very low	102 Å²	102	132 Å²	132	66%	0.662	78%	0.78	S	S	*	*			cis	-139.9	-156.4	-22.9	34.1	-9.9	0	0	0	114.1
675	T	30	Very low	34.3	Very low	106 Å²	106	130.9 Å²	130.9	65%	0.65	78%	0.78	S	S	*	*			trans	87.7	123.7	141.1	37.9	0	0	0	0	125.6
676	Q	31.1	Very low	33.8	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	78%	0.78	S	S	*	*			trans	70.5	160.6	142.9	-61.7	176.3	32.4	0	0	118.1
677	S	32.1	Very low	33.2	Very low	110 Å²	110	133 Å²	133	77%	0.769	78%	0.782	S	S	*	*			cis	-146.5	-177.8	14.4	62.1	0	0	0	0	114.4
678	Y	27.2	Very low	32.9	Very low	217 Å²	217	133.4 Å²	133.4	85%	0.851	78%	0.78	S	S	*	*			trans	-80.4	160.9	-176	-66.5	-101.1	0	0	0	115.5
679	T	34.8	Very low	31.9	Very low	150 Å²	150	133.6 Å²	133.6	92%	0.92	78%	0.779	S	S	*	*			trans	-161.7	157.2	131.4	2.2	0	0	0	0	112.5
680	T	28	Very low	31.5	Very low	110 Å²	110	135 Å²	135	68%	0.675	78%	0.783	S	S	*	*			trans	-134	140.8	-173.3	-50.7	0	0	0	0	111.2
681	T	34	Very low	30.9	Very low	142 Å²	142	137.8 Å²	137.8	87%	0.871	79%	0.79	S	S	*	*			trans	-140.4	134.4	156.7	36.8	0	0	0	0	110.8
682	N	26.8	Very low	30.5	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	79%	0.789	S	S	*	*			trans	-103.1	152.7	173.8	-68.7	-18.7	0	0	0	109.8
683	T	33.2	Very low	30.3	Very low	152 Å²	152	137.1 Å²	137.1	93%	0.933	78%	0.784	S	S	*	*			trans	-140.5	134.1	151.7	-33.1	0	0	0	0	109.3
684	T	29.1	Very low	30	Very low	104 Å²	104	136.9 Å²	136.9	64%	0.638	79%	0.789	S	S	*	*			trans	-115.8	138.5	-167.1	-48.4	0	0	0	0	111.8
685	T	34	Very low	29.4	Very low	146 Å²	146	139.1 Å²	139.1	90%	0.896	79%	0.794	S	S	*	*			trans	-148	151.2	149.4	14.9	0	0	0	0	109.7
686	N	28.5	Very low	29.2	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	80%	0.795	S	S	*	*			trans	-107	152.2	-164.2	-49.2	-47.6	0	0	0	112.2
687	T	30.5	Very low	29	Very low	131 Å²	131	141.2 Å²	141.2	80%	0.804	80%	0.799	S	S	*	*				-170.5	121.8	117.1	22.9	0	0	0	0	115
688	T	30.5	Very low	28.7	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	80%	0.796	S	S	*	*			trans	42	93.1	145.4	44.6	0	0	0	0	122.2
689	T	25.8	Very low	28.9	Very low	118 Å²	118	139.5 Å²	139.5	72%	0.724	79%	0.79	S	S	*	*				50.9	116.9	117.5	57	0	0	0	0	121.8
690	T	28.8	Very low	29	Very low	144 Å²	144	137.1 Å²	137.1	88%	0.883	77%	0.77	S	S	*	*				-158	150.8	109	8.5	0	0	0	0	110.3
691	N	26.9	Very low	29.5	Very low	158 Å²	158	137.5 Å²	137.5	85%	0.845	77%	0.768	S	S	*	*			trans	-91.1	135.7	-167.7	-64.1	-20.4	0	0	0	112.8
692	I	26.8	Very low	29.8	Very low	154 Å²	154	138.2 Å²	138.2	79%	0.79	77%	0.767	S	S	*	*			trans	-131.6	129.6	163.1	-59.5	179.6	0	0	0	107.4
693	P	26.5	Very low	30.7	Very low	110 Å²	110	135.3 Å²	135.3	71%	0.714	75%	0.75	S	S	*	*			trans	-72.3	137.5	-177.6	29.1	-34.6	0	0	0	112.1	L695	P693-L695 PolarHBondContact O-N 2.84Å
694	T	24.7	Very low	31.5	Very low	143 Å²	143	130.5 Å²	130.5	88%	0.877	72%	0.723	S	S	*	*			trans	-74.5	105.8	175.8	50	0	0	0	0	111
695	L	28	Very low	31.9	Very low	148 Å²	148	129 Å²	129	78%	0.775	72%	0.715	S	S	*	*			trans	-76.2	132.5	163	-103	74.5	0	0	0	110.2	P693	P693-L695 PolarHBondContact O-N 2.84Å
696	S	26	Very low	32.3	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	70%	0.703	S	S	*	*			trans	-72.6	164.2	173.5	47.1	0	0	0	0	112.3	Y698	S696-Y698 PolarHBondContact O-N 2.92Å
697	Y	26.2	Very low	33.2	Very low	237 Å²	237	126.3 Å²	126.3	93%	0.929	69%	0.69	S	S	*	*			trans	-42.8	128.3	177.9	-97.8	-114.1	0	0	0	113.8
698	Y	26.2	Very low	33.9	Very low	181 Å²	181	120.8 Å²	120.8	71%	0.71	66%	0.656	S	S	*	*			trans	-121	137.2	166.2	-98.3	-91.9	0	0	0	110.1	S696 I700	S696-Y698 PolarHBondContact O-N 2.92Å; Y698-I700 PolarHBondContact O-N 3.25Å
699	P	32.4	Very low	34.5	Very low	111 Å²	111	118.4 Å²	118.4	72%	0.721	64%	0.641	S	S	*	*			trans	-74.6	112.3	176.7	-14	29.7	0	0	0	111.9	N701	P699-N701 VanDerWaalsContact C-N 3.27Å; P699-N701 PolarHBondContact O-N 3.22Å
700	I	36.2	Very low	35.5	Very low	100 Å²	100	119.3 Å²	119.3	51%	0.513	64%	0.635	S	S	.	*			trans	-84.6	62.4	-173.7	-46.2	-178	0	0	0	111	Y698 L703	Y698-I700 PolarHBondContact O-N 3.25Å; I700-L703 HydrophobicContact CG2-CD1 3.68Å; I700-L703 HydrophobicContact CG2-CD2 4.43Å
701	N	38.3	Very low	36.1	Very low	118 Å²	118	116.3 Å²	116.3	63%	0.631	61%	0.613	S	S	*	*			trans	-106.5	-11.8	-172.3	-74.7	24.8	0	0	0	115.4	P699	P699-N701 VanDerWaalsContact C-N 3.27Å; P699-N701 PolarHBondContact O-N 3.22Å
702	N	39.6	Very low	36.9	Very low	157 Å²	157	111.9 Å²	111.9	84%	0.84	59%	0.589	S	S	*	*			trans	-143	48.9	-171.1	-83.9	-36.6	0	0	0	113.2
703	L	45.9	Very low	37.7	Very low	76 Å²	76	108.8 Å²	108.8	40%	0.398	58%	0.581	S	S	.	*			trans	-77.8	130.8	174.1	-95.8	66.3	0	0	0	111.9	I700 E707 T708 L711	I700-L703 HydrophobicContact CG2-CD1 3.68Å; I700-L703 HydrophobicContact CG2-CD2 4.43Å; L703-E707 HydrophobicContact CB-CB 4.39Å; L703-E707 HydrophobicContact CD2-CB 4.29Å; L703-E707 HydrophobicContact CG-CB 4.03Å; L703-T708 HydrophobicContact CB-CG2 4.24Å; L703-T708 HydrophobicContact CD2-CG2 4.25Å; L703-L711 HydrophobicContact CD2-CD1 3.61Å
704	S	49.8	Very low	38.3	Very low	52 Å²	52	110.2 Å²	110.2	36%	0.364	58%	0.577	S	S	.	*			trans	-63.6	150.9	167.9	175.8	0	0	0	0	111.6	M706 E707 T708	S704-M706 PolarHBondContact O-N 2.84Å; S704-M706 VanDerWaalsContact O-N 3.09Å; S704-M706 PolarHBondContact OG-N 3.15Å; S704-E707 VanDerWaalsContact CB-OE2 3.31Å; S704-E707 WeakPolarHBondContact CB-OE2 3.29Å; S704-E707 PolarHBondContact N-OE2 3.15Å; S704-E707 PolarHBondContact O-N 3.01Å; S704-T708 PolarHBondContact O-N 3.14Å; S704-T708 VanDerWaalsContact O-N 3.08Å; S704-T708 PolarHBondContact O-OG1 3.44Å
705	P	37.6	Very low	39.2	Very low	71 Å²	71	111.8 Å²	111.8	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-51.8	-28.1	166.3	-27.7	36	0	0	0	113.6	T708 T709	P705-T708 WeakPolarHBondContact CA-OG1 3.17Å; P705-T708 PolarHBondContact O-OG1 3.26Å; P705-T708 VanDerWaalsContact O-OG1 3.09Å; P705-T709 WeakPolarHBondContact O-CG2 3.47Å; P705-T709 PolarHBondContact O-N 2.92Å; P705-T709 PolarHBondContact O-OG1 3.03Å
706	M	43.2	Very low	39.9	Very low	133 Å²	133	107.5 Å²	107.5	66%	0.655	56%	0.557	S	S	*	*	H	α-helix	trans	-83.1	-9.4	177.3	-166.4	150.1	61.3	0	0	113.9	S704 T709 K710	S704-M706 PolarHBondContact O-N 2.84Å; S704-M706 VanDerWaalsContact O-N 3.09Å; S704-M706 PolarHBondContact OG-N 3.15Å; M706-T709 WeakPolarHBondContact CA-OG1 3.29Å; M706-T709 PolarHBondContact O-OG1 2.83Å; M706-K710 WeakPolarHBondContact O-CG 3.23Å
707	E	47	Very low	40.8	Very low	95 Å²	95	107 Å²	107	44%	0.444	55%	0.552	S	S	.	*	H	α-helix	trans	-96.7	-38.1	174.2	-67.7	168.2	145.4	0	0	110.6	L703 S704 T709 K710 L711	L703-E707 HydrophobicContact CB-CB 4.39Å; L703-E707 HydrophobicContact CD2-CB 4.29Å; L703-E707 HydrophobicContact CG-CB 4.03Å; S704-E707 VanDerWaalsContact CB-OE2 3.31Å; S704-E707 WeakPolarHBondContact CB-OE2 3.29Å; S704-E707 PolarHBondContact N-OE2 3.15Å; S704-E707 PolarHBondContact O-N 3.01Å; E707-T709 VanDerWaalsContact C-N 3.34Å; E707-T709 PolarHBondContact O-N 3.06Å; E707-K710 PolarHBondContact O-N 3.49Å; E707-K710 VanDerWaalsContact O-N 3.16Å; E707-L711 PolarHBondContact O-N 3.41Å
708	T	45.7	Very low	41.5	Very low	15 Å²	15	100.1 Å²	100.1	9%	0.092	53%	0.53	C	S	.	.	H	α-helix	trans	-61.4	-39.5	169.5	42.3	0	0	0	0	112.3	L703 S704 P705 K710 L711 L712	L703-T708 HydrophobicContact CB-CG2 4.24Å; L703-T708 HydrophobicContact CD2-CG2 4.25Å; S704-T708 PolarHBondContact O-N 3.14Å; S704-T708 VanDerWaalsContact O-N 3.08Å; S704-T708 PolarHBondContact O-OG1 3.44Å; P705-T708 WeakPolarHBondContact CA-OG1 3.17Å; P705-T708 PolarHBondContact O-OG1 3.26Å; P705-T708 VanDerWaalsContact O-OG1 3.09Å; T708-K710 VanDerWaalsContact C-N 3.33Å; T708-K710 PolarHBondContact O-N 3.38Å; T708-L711 PolarHBondContact O-N 3.13Å; T708-L712 WeakPolarHBondContact O-CG 3.44Å; T708-L712 PolarHBondContact O-N 3.32Å
709	T	43.4	Very low	42.2	Very low	70 Å²	70	97.5 Å²	97.5	43%	0.429	53%	0.528	S	S	.	.	H	α-helix	trans	-66.7	-29	173	44.9	0	0	0	0	113.7	P705 M706 E707 S713	P705-T709 WeakPolarHBondContact O-CG2 3.47Å; P705-T709 PolarHBondContact O-N 2.92Å; P705-T709 PolarHBondContact O-OG1 3.03Å; M706-T709 WeakPolarHBondContact CA-OG1 3.29Å; M706-T709 PolarHBondContact O-OG1 2.83Å; E707-T709 VanDerWaalsContact C-N 3.34Å; E707-T709 PolarHBondContact O-N 3.06Å; T709-S713 PolarHBondContact O-N 3.34Å
710	K	46	Very low	43	Very low	136 Å²	136	94.3 Å²	94.3	59%	0.591	51%	0.508	S	S	*	.	H	α-helix	trans	-72.9	-34.8	171.2	-74.5	175.5	-179.2	-178	0	112.9	M706 E707 T708 L712 S713 F714	M706-K710 WeakPolarHBondContact O-CG 3.23Å; E707-K710 PolarHBondContact O-N 3.49Å; E707-K710 VanDerWaalsContact O-N 3.16Å; T708-K710 VanDerWaalsContact C-N 3.33Å; T708-K710 PolarHBondContact O-N 3.38Å; K710-L712 VanDerWaalsContact C-N 3.34Å; K710-S713 PolarHBondContact O-N 3.03Å; K710-S713 PolarHBondContact O-OG 2.99Å; K710-F714 WeakPolarHBondContact O-CD2 3.38Å
711	L	42.6	Very low	43.3	Very low	82 Å²	82	91.7 Å²	91.7	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-38.1	171.9	-68.9	178.3	0	0	0	111.4	L703 E707 T708 S713 F714	L703-L711 HydrophobicContact CD2-CD1 3.61Å; E707-L711 PolarHBondContact O-N 3.41Å; T708-L711 PolarHBondContact O-N 3.13Å; L711-S713 VanDerWaalsContact C-N 3.26Å; L711-S713 PolarHBondContact O-N 3.11Å; L711-F714 PolarHBondContact O-N 3.09Å
712	L	42.5	Very low	43.7	Very low	64 Å²	64	90.6 Å²	90.6	34%	0.335	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.6	174.7	-72.8	165	0	0	0	114.3	T708 K710 F714 L739 L742	T708-L712 WeakPolarHBondContact O-CG 3.44Å; T708-L712 PolarHBondContact O-N 3.32Å; K710-L712 VanDerWaalsContact C-N 3.34Å; L712-F714 VanDerWaalsContact C-N 3.27Å; L712-L739 HydrophobicContact CD1-CD2 4.18Å; L712-L739 HydrophobicContact CD2-CD2 4.32Å; L712-L739 HydrophobicContact CG-CD2 4.39Å; L712-L742 HydrophobicContact CD1-CD1 4.38Å
713	S	43.3	Very low	44	Very low	90 Å²	90	87.6 Å²	87.6	63%	0.629	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.7	173.9	66	0	0	0	0	113.9	T709 K710 L711	T709-S713 PolarHBondContact O-N 3.34Å; K710-S713 PolarHBondContact O-N 3.03Å; K710-S713 PolarHBondContact O-OG 2.99Å; L711-S713 VanDerWaalsContact C-N 3.26Å; L711-S713 PolarHBondContact O-N 3.11Å
714	F	38.9	Very low	44	Very low	140 Å²	140	90.1 Å²	90.1	61%	0.614	49%	0.487	S	S	*	.	S	Bend	trans	-97.8	134.2	165.8	-64.9	-89.6	0	0	0	108.8	K710 L711 L712 I716	K710-F714 WeakPolarHBondContact O-CD2 3.38Å; L711-F714 PolarHBondContact O-N 3.09Å; L712-F714 VanDerWaalsContact C-N 3.27Å; F714-I716 HydrophobicContact CB-CD1 3.97Å; F714-I716 HydrophobicContact CB-CG1 3.83Å; F714-I716 PolarHBondContact O-N 3.21Å
715	N	44.2	Very low	43.8	Very low	175 Å²	175	89.9 Å²	89.9	94%	0.936	48%	0.48	S	S	*	.			trans	-71	68.3	175.5	-82.4	-18.5	0	0	0	111.4
716	I	43.4	Very low	44.3	Very low	59 Å²	59	91.8 Å²	91.8	30%	0.303	49%	0.486	S	S	.	.			trans	-88.3	122.4	179	-59.3	171.9	0	0	0	108.5	F714 L721	F714-I716 HydrophobicContact CB-CD1 3.97Å; F714-I716 HydrophobicContact CB-CG1 3.83Å; F714-I716 PolarHBondContact O-N 3.21Å; I716-L721 HydrophobicContact CB-CD1 4.42Å; I716-L721 HydrophobicContact CG2-CD1 4.26Å; I716-L721 HydrophobicContact CG2-CG 3.9Å
717	P	44.1	Very low	44.6	Very low	86 Å²	86	89.8 Å²	89.8	56%	0.558	48%	0.477	S	S	*	.			trans	-56.8	139.8	175.2	-26.1	35.3	0	0	0	112.1	D719 S720 L721	P717-D719 PolarHBondContact O-N 2.97Å; P717-S720 WeakPolarHBondContact O-CA 3.41Å; P717-S720 VanDerWaalsContact O-CB 3.3Å; P717-S720 WeakPolarHBondContact O-CB 3.33Å; P717-S720 PolarHBondContact O-N 3.37Å; P717-L721 PolarHBondContact O-N 2.91Å
718	I	40.7	Very low	44.3	Very low	92 Å²	92	92.5 Å²	92.5	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-55.7	-38.5	-174.7	-65.1	170.8	0	0	0	111.2	S720 L721 I722 L743	I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 2.87Å; I718-L721 WeakPolarHBondContact O-CA 3.33Å; I718-L721 WeakPolarHBondContact O-CB 3.18Å; I718-L721 PolarHBondContact O-N 3.48Å; I718-I722 HydrophobicContact CG2-CD1 3.63Å; I718-I722 HydrophobicContact CG2-CG1 4.11Å; I718-I722 WeakPolarHBondContact O-CG1 3.46Å; I718-I722 PolarHBondContact O-N 3.05Å; I718-L743 HydrophobicContact CD1-CD2 3.71Å
719	D	41.2	Very low	44.6	Very low	125 Å²	125	94.1 Å²	94.1	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-28.8	178.7	-44.6	-64.6	0	0	0	112.8	P717 L721 S723	P717-D719 PolarHBondContact O-N 2.97Å; D719-L721 VanDerWaalsContact C-N 3.32Å; D719-S723 VanDerWaalsContact O-CB 3.3Å; D719-S723 WeakPolarHBondContact O-CB 3.46Å; D719-S723 PolarHBondContact O-N 2.83Å; D719-S723 VanDerWaalsContact O-N 3.09Å; D719-S723 PolarHBondContact O-OG 3.01Å
720	S	49	Very low	44.8	Very low	45 Å²	45	96.7 Å²	96.7	32%	0.315	52%	0.516	S	S	.	.	H	α-helix	trans	-79.6	-12.9	175.1	-162.6	0	0	0	0	113.3	P717 I718 K724	P717-S720 WeakPolarHBondContact O-CA 3.41Å; P717-S720 VanDerWaalsContact O-CB 3.3Å; P717-S720 WeakPolarHBondContact O-CB 3.33Å; P717-S720 PolarHBondContact O-N 3.37Å; I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 2.87Å; S720-K724 VanDerWaalsContact O-CD 3.27Å; S720-K724 WeakPolarHBondContact O-CD 3.35Å; S720-K724 VanDerWaalsContact O-CE 3.27Å; S720-K724 WeakPolarHBondContact O-CE 3.44Å; S720-K724 PolarHBondContact O-NZ 2.93Å; S720-K724 PolarHBondContact OG-NZ 3.29Å
721	L	43.3	Very low	44.9	Very low	44 Å²	44	94.3 Å²	94.3	23%	0.23	51%	0.508	C	S	.	.	H	α-helix	trans	-90.7	-49.9	167.8	-77.1	160.8	0	0	0	110.5	I716 P717 I718 D719 S723 K724 F725	I716-L721 HydrophobicContact CB-CD1 4.42Å; I716-L721 HydrophobicContact CG2-CD1 4.26Å; I716-L721 HydrophobicContact CG2-CG 3.9Å; P717-L721 PolarHBondContact O-N 2.91Å; I718-L721 WeakPolarHBondContact O-CA 3.33Å; I718-L721 WeakPolarHBondContact O-CB 3.18Å; I718-L721 PolarHBondContact O-N 3.48Å; D719-L721 VanDerWaalsContact C-N 3.32Å; L721-S723 VanDerWaalsContact C-N 3.32Å; L721-S723 PolarHBondContact O-N 3.09Å; L721-K724 PolarHBondContact O-N 3.05Å; L721-F725 HydrophobicContact CB-CE2 4.47Å; L721-F725 VanDerWaalsContact O-CD2 3.23Å; L721-F725 WeakPolarHBondContact O-CD2 3.5Å; L721-F725 PolarHBondContact O-N 3.45Å
722	I	45.9	Very low	45.2	Very low	95 Å²	95	91.1 Å²	91.1	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-57.2	-44.1	-179.4	-68.3	176.2	0	0	0	111.3	I718 K724 F725	I718-I722 HydrophobicContact CG2-CD1 3.63Å; I718-I722 HydrophobicContact CG2-CG1 4.11Å; I718-I722 WeakPolarHBondContact O-CG1 3.46Å; I718-I722 PolarHBondContact O-N 3.05Å; I722-K724 PolarHBondContact O-N 2.95Å; I722-F725 PolarHBondContact O-N 3.33Å; I722-F725 VanDerWaalsContact O-N 3.11Å
723	S	45.8	Very low	45.6	Very low	94 Å²	94	94.9 Å²	94.9	66%	0.657	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.1	176.8	52.6	0	0	0	0	115.3	D719 L721	D719-S723 VanDerWaalsContact O-CB 3.3Å; D719-S723 WeakPolarHBondContact O-CB 3.46Å; D719-S723 PolarHBondContact O-N 2.83Å; D719-S723 VanDerWaalsContact O-N 3.09Å; D719-S723 PolarHBondContact O-OG 3.01Å; L721-S723 VanDerWaalsContact C-N 3.32Å; L721-S723 PolarHBondContact O-N 3.09Å
724	K	46.3	Very low	46.2	Very low	130 Å²	130	96.4 Å²	96.4	57%	0.565	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-7.3	176.3	-64.2	175	-172.8	138.5	0	113.7	S720 L721 I722	S720-K724 VanDerWaalsContact O-CD 3.27Å; S720-K724 WeakPolarHBondContact O-CD 3.35Å; S720-K724 VanDerWaalsContact O-CE 3.27Å; S720-K724 WeakPolarHBondContact O-CE 3.44Å; S720-K724 PolarHBondContact O-NZ 2.93Å; S720-K724 PolarHBondContact OG-NZ 3.29Å; L721-K724 PolarHBondContact O-N 3.05Å; I722-K724 PolarHBondContact O-N 2.95Å
725	F	46.4	Very low	47.1	Very low	46 Å²	46	91.8 Å²	91.8	20%	0.202	48%	0.482	C	S	.	.	S	Bend	trans	-86.7	121.8	175.1	-78.7	-73.2	0	0	0	111.2	L721 I722 I727 T735 L739	L721-F725 HydrophobicContact CB-CE2 4.47Å; L721-F725 VanDerWaalsContact O-CD2 3.23Å; L721-F725 WeakPolarHBondContact O-CD2 3.5Å; L721-F725 PolarHBondContact O-N 3.45Å; I722-F725 PolarHBondContact O-N 3.33Å; I722-F725 VanDerWaalsContact O-N 3.11Å; F725-I727 WeakPolarHBondContact O-CG1 3.47Å; F725-I727 PolarHBondContact O-N 3.32Å; F725-I727 VanDerWaalsContact O-N 3.15Å; F725-T735 HydrophobicContact CE1-CG2 3.79Å; F725-T735 HydrophobicContact CZ-CG2 3.98Å; F725-L739 HydrophobicContact CE2-CD1 3.87Å; F725-L739 HydrophobicContact CZ-CD1 3.72Å
726	N	46.6	Very low	47.9	Very low	112 Å²	112	86.2 Å²	86.2	60%	0.599	45%	0.451	S	S	*	.			trans	-72.5	105.8	166.5	-175.2	-8.4	0	0	0	108.6	N728 S732	N726-N728 PolarHBondContact O-N 2.82Å; N726-N728 VanDerWaalsContact O-N 3.08Å; N726-N728 PolarHBondContact OD1-N 3.45Å; N726-N728 PolarHBondContact OD1-ND2 2.91Å; N726-S732 WeakPolarHBondContact O-CB 3.46Å; N726-S732 PolarHBondContact O-OG 2.82Å
727	I	50.2	Low	48.6	Very low	91 Å²	91	88.1 Å²	88.1	47%	0.467	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.9	-167.9	-40.2	-177.9	0	0	0	112.5	F725 S729 Y733	F725-I727 WeakPolarHBondContact O-CG1 3.47Å; F725-I727 PolarHBondContact O-N 3.32Å; F725-I727 VanDerWaalsContact O-N 3.15Å; I727-S729 VanDerWaalsContact C-N 3.33Å; I727-S729 PolarHBondContact O-N 3.21Å; I727-Y733 HydrophobicContact CG2-CE2 4.42Å; I727-Y733 WeakPolarHBondContact O-CE2 3.3Å
728	N	41.3	Very low	49.5	Very low	152 Å²	152	87.7 Å²	87.7	81%	0.813	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	18.2	-172.3	-59.5	-57.5	0	0	0	115.7	N726	N726-N728 PolarHBondContact O-N 2.82Å; N726-N728 VanDerWaalsContact O-N 3.08Å; N726-N728 PolarHBondContact OD1-N 3.45Å; N726-N728 PolarHBondContact OD1-ND2 2.91Å
729	S	51.5	Low	50.2	Low	49 Å²	49	85 Å²	85	34%	0.343	44%	0.441	S	S	.	.	S	Bend	trans	-130.3	145.7	-178.8	-177.1	0	0	0	0	113.4	I727 E731 S732 Y733	I727-S729 VanDerWaalsContact C-N 3.33Å; I727-S729 PolarHBondContact O-N 3.21Å; S729-E731 VanDerWaalsContact C-N 3.28Å; S729-E731 PolarHBondContact O-N 3.35Å; S729-E731 PolarHBondContact OG-N 2.8Å; S729-S732 VanDerWaalsContact O-CB 3.28Å; S729-S732 WeakPolarHBondContact O-CB 3.29Å; S729-S732 PolarHBondContact O-N 3.22Å; S729-Y733 WeakPolarHBondContact O-CD2 3.34Å; S729-Y733 PolarHBondContact O-N 3.34Å
730	I	47.6	Very low	51.1	Low	123 Å²	123	82.4 Å²	82.4	63%	0.631	43%	0.43	S	S	*	.	H	α-helix	trans	-61.9	-36.4	172.9	-74.2	172.5	0	0	0	111	S732 Y733 K734	I730-S732 VanDerWaalsContact C-N 3.29Å; I730-S732 PolarHBondContact O-N 3.28Å; I730-Y733 PolarHBondContact O-N 3.39Å; I730-K734 HydrophobicContact CG2-CD 4.44Å; I730-K734 WeakPolarHBondContact O-CG 3.18Å; I730-K734 PolarHBondContact O-N 2.94Å
731	E	47.8	Very low	51.2	Low	87 Å²	87	84.8 Å²	84.8	41%	0.407	44%	0.439	S	S	.	.	H	α-helix	trans	-59.7	-37.2	170.8	-94.5	51.6	-115.3	0	0	112.4	S729 K734 T735	S729-E731 VanDerWaalsContact C-N 3.28Å; S729-E731 PolarHBondContact O-N 3.35Å; S729-E731 PolarHBondContact OG-N 2.8Å; E731-K734 PolarHBondContact O-N 3.45Å; E731-K734 WeakPolarHBondContact OE1-CD 3.42Å; E731-K734 WeakPolarHBondContact OE1-CE 3.49Å; E731-K734 IonicContact OE1-NZ 2.72Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; E731-T735 WeakPolarHBondContact O-CB 3.27Å; E731-T735 PolarHBondContact O-N 2.71Å; E731-T735 PolarHBondContact O-OG1 3.3Å
732	S	50.1	Low	51.6	Low	15 Å²	15	85.4 Å²	85.4	11%	0.105	44%	0.442	C	S	.	.	H	α-helix	trans	-64.1	-44	175.9	-52.6	0	0	0	0	111	N726 S729 I730 T735 I736	N726-S732 WeakPolarHBondContact O-CB 3.46Å; N726-S732 PolarHBondContact O-OG 2.82Å; S729-S732 VanDerWaalsContact O-CB 3.28Å; S729-S732 WeakPolarHBondContact O-CB 3.29Å; S729-S732 PolarHBondContact O-N 3.22Å; I730-S732 VanDerWaalsContact C-N 3.29Å; I730-S732 PolarHBondContact O-N 3.28Å; S732-T735 PolarHBondContact O-N 3.35Å; S732-I736 WeakPolarHBondContact O-CB 3.2Å; S732-I736 WeakPolarHBondContact O-CD1 3.43Å; S732-I736 VanDerWaalsContact O-CG1 3.23Å; S732-I736 WeakPolarHBondContact O-CG1 3.31Å; S732-I736 PolarHBondContact O-N 3.08Å
733	Y	50	Low	51.9	Low	142 Å²	142	83.9 Å²	83.9	56%	0.557	43%	0.434	S	S	*	.	H	α-helix	trans	-64.7	-40.6	175.2	-82.7	-85.1	0	0	0	113.1	I727 S729 I730 T735 N737	I727-Y733 HydrophobicContact CG2-CE2 4.42Å; I727-Y733 WeakPolarHBondContact O-CE2 3.3Å; S729-Y733 WeakPolarHBondContact O-CD2 3.34Å; S729-Y733 PolarHBondContact O-N 3.34Å; I730-Y733 PolarHBondContact O-N 3.39Å; Y733-T735 VanDerWaalsContact C-N 3.34Å; Y733-T735 PolarHBondContact O-N 3.15Å; Y733-N737 WeakPolarHBondContact O-CB 3.39Å; Y733-N737 PolarHBondContact O-N 3.19Å
734	K	56.8	Low	52	Low	122 Å²	122	82.9 Å²	82.9	53%	0.53	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-45.4	172.1	-70.1	171.9	-174.4	167.6	0	111.2	I730 E731 N737 L738	I730-K734 HydrophobicContact CG2-CD 4.44Å; I730-K734 WeakPolarHBondContact O-CG 3.18Å; I730-K734 PolarHBondContact O-N 2.94Å; E731-K734 PolarHBondContact O-N 3.45Å; E731-K734 WeakPolarHBondContact OE1-CD 3.42Å; E731-K734 WeakPolarHBondContact OE1-CE 3.49Å; E731-K734 IonicContact OE1-NZ 2.72Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; K734-N737 PolarHBondContact O-N 3.3Å; K734-L738 WeakPolarHBondContact O-CB 3.44Å; K734-L738 PolarHBondContact O-N 3.43Å
735	T	55.9	Low	51.8	Low	44 Å²	44	81 Å²	81	27%	0.27	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-42.2	-178.3	-53.8	0	0	0	0	111.6	F725 E731 S732 Y733 L738 L739	F725-T735 HydrophobicContact CE1-CG2 3.79Å; F725-T735 HydrophobicContact CZ-CG2 3.98Å; E731-T735 WeakPolarHBondContact O-CB 3.27Å; E731-T735 PolarHBondContact O-N 2.71Å; E731-T735 PolarHBondContact O-OG1 3.3Å; S732-T735 PolarHBondContact O-N 3.35Å; Y733-T735 VanDerWaalsContact C-N 3.34Å; Y733-T735 PolarHBondContact O-N 3.15Å; T735-L738 PolarHBondContact O-N 3.49Å; T735-L739 HydrophobicContact CG2-CD1 4.14Å; T735-L739 WeakPolarHBondContact O-CB 3.27Å; T735-L739 VanDerWaalsContact O-CG 3.32Å; T735-L739 WeakPolarHBondContact O-CG 3.45Å; T735-L739 PolarHBondContact O-N 2.95Å
736	I	61.3	Low	51.4	Low	57 Å²	57	83.2 Å²	83.2	29%	0.292	43%	0.434	S	S	.	.	H	α-helix	trans	-62.3	-47.7	174.5	-70.1	164	0	0	0	110.2	S732 L738 L739 T740	S732-I736 WeakPolarHBondContact O-CB 3.2Å; S732-I736 WeakPolarHBondContact O-CD1 3.43Å; S732-I736 VanDerWaalsContact O-CG1 3.23Å; S732-I736 WeakPolarHBondContact O-CG1 3.31Å; S732-I736 PolarHBondContact O-N 3.08Å; I736-L738 VanDerWaalsContact C-N 3.33Å; I736-L738 PolarHBondContact O-N 3.22Å; I736-L739 PolarHBondContact O-N 3.1Å; I736-T740 WeakPolarHBondContact O-CB 3.39Å; I736-T740 PolarHBondContact O-N 3.29Å; I736-T740 PolarHBondContact O-OG1 2.66Å
737	N	59.3	Low	51.1	Low	100 Å²	100	81.6 Å²	81.6	54%	0.535	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-38.5	175.5	-87.8	-15.6	0	0	0	112.8	Y733 K734 T740 N741	Y733-N737 WeakPolarHBondContact O-CB 3.39Å; Y733-N737 PolarHBondContact O-N 3.19Å; K734-N737 PolarHBondContact O-N 3.3Å; N737-T740 PolarHBondContact O-N 3.35Å; N737-N741 WeakPolarHBondContact O-CB 3.37Å; N737-N741 VanDerWaalsContact O-CG 3.23Å; N737-N741 PolarHBondContact O-N 2.83Å; N737-N741 PolarHBondContact O-ND2 2.9Å
738	L	62.7	Low	50.5	Low	77 Å²	77	80.8 Å²	80.8	40%	0.403	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.8	-165.2	77	0	0	0	111.3	K734 T735 I736 N741 L742	K734-L738 WeakPolarHBondContact O-CB 3.44Å; K734-L738 PolarHBondContact O-N 3.43Å; T735-L738 PolarHBondContact O-N 3.49Å; I736-L738 VanDerWaalsContact C-N 3.33Å; I736-L738 PolarHBondContact O-N 3.22Å; L738-N741 PolarHBondContact O-N 3.35Å; L738-L742 HydrophobicContact CG-CD1 4.15Å; L738-L742 WeakPolarHBondContact O-CB 3.16Å; L738-L742 VanDerWaalsContact O-CG 3.29Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.35Å
739	L	56	Low	50.1	Low	35 Å²	35	78.8 Å²	78.8	18%	0.183	41%	0.412	C	S	.	.	H	α-helix	trans	-63.2	-44.2	175	-73.9	167.6	0	0	0	111.8	L712 F725 T735 I736 L742 L743	L712-L739 HydrophobicContact CD1-CD2 4.18Å; L712-L739 HydrophobicContact CD2-CD2 4.32Å; L712-L739 HydrophobicContact CG-CD2 4.39Å; F725-L739 HydrophobicContact CE2-CD1 3.87Å; F725-L739 HydrophobicContact CZ-CD1 3.72Å; T735-L739 HydrophobicContact CG2-CD1 4.14Å; T735-L739 WeakPolarHBondContact O-CB 3.27Å; T735-L739 VanDerWaalsContact O-CG 3.32Å; T735-L739 WeakPolarHBondContact O-CG 3.45Å; T735-L739 PolarHBondContact O-N 2.95Å; I736-L739 PolarHBondContact O-N 3.1Å; L739-L742 PolarHBondContact O-N 2.9Å; L739-L743 WeakPolarHBondContact O-CB 3.46Å; L739-L743 PolarHBondContact O-N 3.44Å
740	T	59.5	Low	49.5	Very low	70 Å²	70	79.7 Å²	79.7	43%	0.429	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.4	-59.4	0	0	0	0	111.5	I736 N737 T744	I736-T740 WeakPolarHBondContact O-CB 3.39Å; I736-T740 PolarHBondContact O-N 3.29Å; I736-T740 PolarHBondContact O-OG1 2.66Å; N737-T740 PolarHBondContact O-N 3.35Å; T740-T744 VanDerWaalsContact O-CB 3.24Å; T740-T744 WeakPolarHBondContact O-CB 3.29Å; T740-T744 PolarHBondContact O-N 3.17Å; T740-T744 PolarHBondContact O-OG1 2.89Å
741	N	50.9	Low	48.8	Very low	95 Å²	95	82.2 Å²	82.2	51%	0.508	42%	0.422	S	S	.	.	H	α-helix	trans	-67.7	-45.6	175.9	-73.4	-20.7	0	0	0	112	N737 L738 L743 T744 I745	N737-N741 WeakPolarHBondContact O-CB 3.37Å; N737-N741 VanDerWaalsContact O-CG 3.23Å; N737-N741 PolarHBondContact O-N 2.83Å; N737-N741 PolarHBondContact O-ND2 2.9Å; L738-N741 PolarHBondContact O-N 3.35Å; N741-L743 PolarHBondContact O-N 3.3Å; N741-T744 PolarHBondContact O-N 3.38Å; N741-I745 VanDerWaalsContact O-CG1 3.29Å; N741-I745 WeakPolarHBondContact O-CG1 3.3Å; N741-I745 PolarHBondContact O-N 2.76Å
742	L	51.5	Low	48	Very low	57 Å²	57	83.2 Å²	83.2	30%	0.298	43%	0.433	S	S	.	.	H	α-helix	trans	-62.5	-41.3	176.3	-74.5	168.6	0	0	0	112.1	L712 L738 L739 T744 I745 N746	L712-L742 HydrophobicContact CD1-CD1 4.38Å; L738-L742 HydrophobicContact CG-CD1 4.15Å; L738-L742 WeakPolarHBondContact O-CB 3.16Å; L738-L742 VanDerWaalsContact O-CG 3.29Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.35Å; L739-L742 PolarHBondContact O-N 2.9Å; L742-T744 VanDerWaalsContact C-N 3.35Å; L742-I745 PolarHBondContact O-N 3.01Å; L742-N746 PolarHBondContact O-N 3.26Å
743	L	51.9	Low	47	Very low	63 Å²	63	87.2 Å²	87.2	33%	0.33	45%	0.453	S	S	.	.	H	α-helix	trans	-68.4	-35.1	175.3	-171	67.3	0	0	0	111.5	I718 L739 N741 N746 N747	I718-L743 HydrophobicContact CD1-CD2 3.71Å; L739-L743 WeakPolarHBondContact O-CB 3.46Å; L739-L743 PolarHBondContact O-N 3.44Å; N741-L743 PolarHBondContact O-N 3.3Å; L743-N746 PolarHBondContact O-N 3.34Å; L743-N747 WeakPolarHBondContact O-CB 3.41Å; L743-N747 PolarHBondContact O-N 3.18Å; L743-N747 PolarHBondContact O-ND2 3.42Å
744	T	48.4	Very low	45.8	Very low	73 Å²	73	85.2 Å²	85.2	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-40.2	173.6	-60.7	0	0	0	0	111.1	T740 N741 L742 N747 T748	T740-T744 VanDerWaalsContact O-CB 3.24Å; T740-T744 WeakPolarHBondContact O-CB 3.29Å; T740-T744 PolarHBondContact O-N 3.17Å; T740-T744 PolarHBondContact O-OG1 2.89Å; N741-T744 PolarHBondContact O-N 3.38Å; L742-T744 VanDerWaalsContact C-N 3.35Å; T744-N747 CarbonylContact O-C 3.57Å; T744-N747 PolarHBondContact O-N 2.7Å; T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.05Å; T744-T748 PolarHBondContact O-OG1 2.81Å; T744-T748 VanDerWaalsContact O-OG1 3.05Å
745	I	41.7	Very low	44.5	Very low	91 Å²	91	86.1 Å²	86.1	47%	0.467	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-43	174.3	-69.1	162.1	0	0	0	111.1	N741 L742 T748 M749	N741-I745 VanDerWaalsContact O-CG1 3.29Å; N741-I745 WeakPolarHBondContact O-CG1 3.3Å; N741-I745 PolarHBondContact O-N 2.76Å; L742-I745 PolarHBondContact O-N 3.01Å; I745-T748 WeakPolarHBondContact CA-OG1 3.37Å; I745-T748 PolarHBondContact O-N 3.24Å; I745-T748 PolarHBondContact O-OG1 2.75Å; I745-T748 VanDerWaalsContact O-OG1 3.05Å; I745-M749 HydrophobicContact CG2-CG 4.48Å; I745-M749 VanDerWaalsContact O-CB 3.31Å; I745-M749 WeakPolarHBondContact O-CB 3.35Å; I745-M749 WeakPolarHBondContact O-CG 3.18Å; I745-M749 PolarHBondContact O-N 3.32Å
746	N	39.3	Very low	43.1	Very low	93 Å²	93	93.1 Å²	93.1	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-40.1	172.7	-91.3	-3.5	0	0	0	112.1	L742 L743 M749 T750	L742-N746 PolarHBondContact O-N 3.26Å; L743-N746 PolarHBondContact O-N 3.34Å; N746-M749 PolarHBondContact O-N 3.24Å; N746-T750 WeakPolarHBondContact O-CB 3.3Å; N746-T750 WeakPolarHBondContact O-CG2 3.29Å; N746-T750 PolarHBondContact O-N 3.45Å; N746-T750 PolarHBondContact O-OG1 3.28Å
747	N	39.7	Very low	41.6	Very low	78 Å²	78	96.9 Å²	96.9	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-74.7	-21.3	179.2	-73.2	-16.1	0	0	0	113.6	L743 T744 T750 K751	L743-N747 WeakPolarHBondContact O-CB 3.41Å; L743-N747 PolarHBondContact O-N 3.18Å; L743-N747 PolarHBondContact O-ND2 3.42Å; T744-N747 CarbonylContact O-C 3.57Å; T744-N747 PolarHBondContact O-N 2.7Å; N747-T750 WeakPolarHBondContact CA-OG1 3.44Å; N747-K751 WeakPolarHBondContact O-CB 3.26Å; N747-K751 WeakPolarHBondContact O-CD 3.45Å; N747-K751 WeakPolarHBondContact O-CG 3.5Å
748	T	37.9	Very low	40	Very low	73 Å²	73	98.6 Å²	98.6	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-81.4	-46.4	167.1	50.6	0	0	0	0	110.7	T744 I745 T750 K751 T752	T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.05Å; T744-T748 PolarHBondContact O-OG1 2.81Å; T744-T748 VanDerWaalsContact O-OG1 3.05Å; I745-T748 WeakPolarHBondContact CA-OG1 3.37Å; I745-T748 PolarHBondContact O-N 3.24Å; I745-T748 PolarHBondContact O-OG1 2.75Å; I745-T748 VanDerWaalsContact O-OG1 3.05Å; T748-T750 VanDerWaalsContact C-N 3.32Å; T748-T750 PolarHBondContact O-N 3.43Å; T748-K751 CarbonylContact O-C 3.56Å; T748-K751 WeakPolarHBondContact O-CA 3.41Å; T748-K751 PolarHBondContact O-N 3.19Å; T748-T752 PolarHBondContact O-N 3.28Å; T748-T752 PolarHBondContact O-OG1 3.08Å; T748-T752 VanDerWaalsContact O-OG1 3.09Å
749	M	32.9	Very low	38.6	Very low	111 Å²	111	101.7 Å²	101.7	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-54.1	-44.9	174.4	-76	-74	-179.6	0	0	112.6	I745 N746 K751 T752 I753	I745-M749 HydrophobicContact CG2-CG 4.48Å; I745-M749 VanDerWaalsContact O-CB 3.31Å; I745-M749 WeakPolarHBondContact O-CB 3.35Å; I745-M749 WeakPolarHBondContact O-CG 3.18Å; I745-M749 PolarHBondContact O-N 3.32Å; N746-M749 PolarHBondContact O-N 3.24Å; M749-K751 VanDerWaalsContact C-N 3.27Å; M749-K751 PolarHBondContact O-N 3.49Å; M749-T752 WeakPolarHBondContact CA-OG1 3.34Å; M749-T752 PolarHBondContact O-N 3.3Å; M749-T752 PolarHBondContact O-OG1 2.9Å; M749-I753 VanDerWaalsContact O-CG1 3.3Å; M749-I753 WeakPolarHBondContact O-CG1 3.04Å; M749-I753 PolarHBondContact O-N 2.81Å
750	T	37.8	Very low	37.3	Very low	67 Å²	67	105.8 Å²	105.8	41%	0.411	56%	0.563	S	S	.	*	H	α-helix	trans	-74.8	-10.8	176.8	50.7	0	0	0	0	114.5	N746 N747 T748	N746-T750 WeakPolarHBondContact O-CB 3.3Å; N746-T750 WeakPolarHBondContact O-CG2 3.29Å; N746-T750 PolarHBondContact O-N 3.45Å; N746-T750 PolarHBondContact O-OG1 3.28Å; N747-T750 WeakPolarHBondContact CA-OG1 3.44Å; T748-T750 VanDerWaalsContact C-N 3.32Å; T748-T750 PolarHBondContact O-N 3.43Å
751	K	34.6	Very low	35.7	Very low	177 Å²	177	109.4 Å²	109.4	77%	0.77	58%	0.58	S	S	*	*	H	α-helix	trans	-98.2	-18.9	170.2	-74.9	179.3	-178.3	-175.7	0	113.4	N747 T748 M749	N747-K751 WeakPolarHBondContact O-CB 3.26Å; N747-K751 WeakPolarHBondContact O-CD 3.45Å; N747-K751 WeakPolarHBondContact O-CG 3.5Å; T748-K751 CarbonylContact O-C 3.56Å; T748-K751 WeakPolarHBondContact O-CA 3.41Å; T748-K751 PolarHBondContact O-N 3.19Å; M749-K751 VanDerWaalsContact C-N 3.27Å; M749-K751 PolarHBondContact O-N 3.49Å
752	T	30.7	Very low	34.8	Very low	107 Å²	107	111.9 Å²	111.9	66%	0.656	59%	0.593	S	S	*	*	H	α-helix	trans	-93.4	-15.8	173.9	54	0	0	0	0	113.1	T748 M749	T748-T752 PolarHBondContact O-N 3.28Å; T748-T752 PolarHBondContact O-OG1 3.08Å; T748-T752 VanDerWaalsContact O-OG1 3.09Å; M749-T752 WeakPolarHBondContact CA-OG1 3.34Å; M749-T752 PolarHBondContact O-N 3.3Å; M749-T752 PolarHBondContact O-OG1 2.9Å
753	I	28.1	Very low	33.5	Very low	99 Å²	99	115.5 Å²	115.5	51%	0.508	62%	0.617	S	S	.	*	S	Bend	trans	-77.8	125.8	161.4	-66.4	164	0	0	0	108.4	M749 L755	M749-I753 VanDerWaalsContact O-CG1 3.3Å; M749-I753 WeakPolarHBondContact O-CG1 3.04Å; M749-I753 PolarHBondContact O-N 2.81Å; I753-L755 PolarHBondContact O-N 2.97Å; I753-L755 VanDerWaalsContact O-N 3.08Å
754	P	26.2	Very low	32.4	Very low	100 Å²	100	125.6 Å²	125.6	65%	0.649	66%	0.659	S	S	*	*			trans	-67.9	109.6	174.6	27.6	-33.2	0	0	0	109.9	F756	P754-F756 HydrophobicContact CB-CD2 4.32Å; P754-F756 PolarHBondContact O-N 3.04Å
755	L	28.2	Very low	31.6	Very low	141 Å²	141	128.3 Å²	128.3	74%	0.738	67%	0.67	S	S	*	*			trans	-71.7	76.7	178.4	-69.5	175.4	0	0	0	111.4	I753 N757	I753-L755 PolarHBondContact O-N 2.97Å; I753-L755 VanDerWaalsContact O-N 3.08Å; L755-N757 PolarHBondContact O-N 3.03Å
756	F	26.1	Very low	31	Very low	191 Å²	191	130.2 Å²	130.2	84%	0.838	68%	0.681	S	S	*	*			trans	-68.5	59.2	165.3	-94	-80.9	0	0	0	111.4	P754 N758	P754-F756 HydrophobicContact CB-CD2 4.32Å; P754-F756 PolarHBondContact O-N 3.04Å; F756-N758 PolarHBondContact O-N 3.06Å
757	N	29.9	Very low	30.6	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	69%	0.691	S	S	*	*			trans	-82.3	73.8	170.3	-169.7	19.3	0	0	0	109.8	L755 N759	L755-N757 PolarHBondContact O-N 3.03Å; N757-N759 PolarHBondContact O-N 3.29Å
758	N	26.6	Very low	30	Very low	136 Å²	136	135.5 Å²	135.5	73%	0.727	71%	0.707	S	S	*	*			trans	-72.6	94.5	174.6	-178.8	16.5	0	0	0	109.8	F756	F756-N758 PolarHBondContact O-N 3.06Å
759	N	33.2	Very low	29.6	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	72%	0.723	S	S	*	*			trans	-140.2	134.4	170.4	-132.7	-15.5	0	0	0	110.5	N757	N757-N759 PolarHBondContact O-N 3.29Å
760	N	27.9	Very low	29.3	Very low	121 Å²	121	141.3 Å²	141.3	65%	0.647	74%	0.735	S	S	*	*			trans	-84.6	157.6	-165.8	-66.3	-74.1	0	0	0	113.4
761	N	27.3	Very low	28.7	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	76%	0.758	S	S	*	*			trans	84	140.7	158.7	-50.7	-38	0	0	0	118.8
762	N	31.5	Very low	28.3	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	76%	0.757	S	S	*	*			trans	73.7	77	157.9	-57.2	-5.5	0	0	0	118.6
763	T	24.6	Very low	28.1	Very low	133 Å²	133	147.3 Å²	147.3	82%	0.816	77%	0.766	S	S	*	*				12.9	113.5	126.5	54.3	0	0	0	0	118.3
764	F	27.4	Very low	28.1	Very low	276 Å²	276	151.7 Å²	151.7	100%	1.211	79%	0.789	S	S	*	*				-152.1	0	105.9	-132.8	-83.3	0	0	0	110.6

Retrieved 764 of 764 residues in 128.6 ms (Link to these results)

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