A0AA82MPR5_SCHMA Loading...

Phosphodiesterase AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MPR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 772 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.4	Very low	33.2	Very low	231 Å²	231	153.5 Å²	153.5	100%	1.138	82%	0.821	S	S	*	*				0	86.1	0	-58.4	-156.9	-161.3	0	0	107.7
2	D	31.8	Very low	33.5	Very low	142 Å²	142	154.3 Å²	154.3	76%	0.759	82%	0.815	S	S	*	*			cis	177.3	117.7	-12.7	-104.8	10.3	0	0	0	99.3
3	D	35.9	Very low	33.5	Very low	166 Å²	166	157.9 Å²	157.9	89%	0.888	82%	0.82	S	S	*	*			trans	174.6	76.3	151.7	-89	-15.5	0	0	0	108.3
4	S	30.9	Very low	33.3	Very low	117 Å²	117	156.9 Å²	156.9	82%	0.818	82%	0.815	S	S	*	*			trans	-117.8	73	168.6	-57.6	0	0	0	0	107.7
5	T	33.6	Very low	33.4	Very low	129 Å²	129	153.9 Å²	153.9	79%	0.791	81%	0.809	S	S	*	*			trans	-170.7	100.7	160.1	-3.3	0	0	0	0	111.4
6	N	33.6	Very low	33.3	Very low	165 Å²	165	156.8 Å²	156.8	88%	0.882	81%	0.813	S	S	*	*			trans	-151.3	75.9	152.6	-94.9	-26	0	0	0	107.4
7	V	34.5	Very low	33.3	Very low	140 Å²	140	156.6 Å²	156.6	85%	0.848	81%	0.812	S	S	*	*			trans	-92.8	108.8	159.9	175.1	0	0	0	0	105.1	E9	V7-E9 PolarHBondContact O-N 3.34Å
8	L	35.3	Very low	33.1	Very low	155 Å²	155	158.1 Å²	158.1	81%	0.812	81%	0.814	S	S	*	*			trans	-57.4	116.6	178.3	-92.3	114.9	0	0	0	110.6	I10	L8-I10 PolarHBondContact O-N 3.24Å
9	E	30.9	Very low	33.1	Very low	149 Å²	149	156.3 Å²	156.3	70%	0.696	81%	0.811	S	S	*	*			trans	-78.9	91.7	168.6	-149	-171.1	-165	0	0	107.8	V7 K11	V7-E9 PolarHBondContact O-N 3.34Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.07Å; E9-K11 IonicContact OE1-NZ 3.2Å; E9-K11 PolarHBondContact OE1-NZ 2.94Å; E9-K11 IonicContact OE2-NZ 3.03Å; E9-K11 PolarHBondContact OE2-NZ 3.4Å
10	I	31.9	Very low	33	Very low	144 Å²	144	156 Å²	156	74%	0.738	81%	0.811	S	S	*	*			trans	-74.2	90	170.7	-61.6	175.6	0	0	0	107.6	L8 Q12	L8-I10 PolarHBondContact O-N 3.24Å; I10-Q12 PolarHBondContact O-N 3.07Å
11	K	31.5	Very low	32.8	Very low	151 Å²	151	157 Å²	157	66%	0.657	81%	0.812	S	S	*	*			trans	-84.3	95.6	165.9	-83.2	-179.3	173.8	124.5	0	109	E9 K13	E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.07Å; E9-K11 IonicContact OE1-NZ 3.2Å; E9-K11 PolarHBondContact OE1-NZ 2.94Å; E9-K11 IonicContact OE2-NZ 3.03Å; E9-K11 PolarHBondContact OE2-NZ 3.4Å; K11-K13 PolarHBondContact O-N 3.24Å; K11-K13 VanDerWaalsContact O-N 3.12Å
12	Q	36.2	Very low	32.5	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	79%	0.785	S	S	*	*			trans	-61.7	107.4	162.6	-83.1	176.4	-17.2	0	0	109.4	I10 L14	I10-Q12 PolarHBondContact O-N 3.07Å; Q12-L14 PolarHBondContact O-N 3.1Å
13	K	33.9	Very low	32.4	Very low	202 Å²	202	148.7 Å²	148.7	88%	0.878	79%	0.79	S	S	*	*			trans	-85.4	89.5	160.4	-83.2	-177	175.1	180	0	107.9	K11	K11-K13 PolarHBondContact O-N 3.24Å; K11-K13 VanDerWaalsContact O-N 3.12Å
14	L	31.4	Very low	32.3	Very low	143 Å²	143	146.3 Å²	146.3	75%	0.749	78%	0.781	S	S	*	*			trans	-68.8	132.2	161.1	-83.5	157.3	0	0	0	108.8	Q12 K16	Q12-L14 PolarHBondContact O-N 3.1Å; L14-K16 PolarHBondContact O-N 3.41Å
15	P	33.6	Very low	32.1	Very low	112 Å²	112	149.7 Å²	149.7	73%	0.727	78%	0.784	S	S	*	*			trans	-67	124.7	172.1	26.2	-29.5	0	0	0	109.2	I17	P15-I17 PolarHBondContact O-N 2.99Å; P15-I17 VanDerWaalsContact O-N 3.17Å
16	K	32.1	Very low	32.1	Very low	201 Å²	201	153.3 Å²	153.3	87%	0.874	79%	0.785	S	S	*	*			trans	-65	111.4	167.6	-74	-177.4	176.4	-176.7	0	107.8	L14 E18	L14-K16 PolarHBondContact O-N 3.41Å; K16-E18 PolarHBondContact O-N 3.49Å; K16-E18 VanDerWaalsContact O-N 3.15Å
17	I	33.5	Very low	31.8	Very low	153 Å²	153	151.3 Å²	151.3	79%	0.785	78%	0.784	S	S	*	*			trans	-73.4	98.9	162.9	-62.2	172.8	0	0	0	106	P15 V19	P15-I17 PolarHBondContact O-N 2.99Å; P15-I17 VanDerWaalsContact O-N 3.17Å; I17-V19 HydrophobicContact CG2-CG2 4.43Å; I17-V19 PolarHBondContact O-N 3.3Å
18	E	30	Very low	31.8	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	78%	0.78	S	S	*	*			trans	-67.8	109.5	159.9	-89.1	178.3	158.5	0	0	107.3	K16 D20	K16-E18 PolarHBondContact O-N 3.49Å; K16-E18 VanDerWaalsContact O-N 3.15Å; E18-D20 PolarHBondContact O-N 3.44Å
19	V	33.1	Very low	31.7	Very low	124 Å²	124	151.8 Å²	151.8	75%	0.752	79%	0.785	S	S	*	*			trans	-72	103.9	165	-179.2	0	0	0	0	106.1	I17 Q21	I17-V19 HydrophobicContact CG2-CG2 4.43Å; I17-V19 PolarHBondContact O-N 3.3Å; V19-Q21 PolarHBondContact O-N 3.33Å; V19-Q21 VanDerWaalsContact O-N 3.09Å
20	D	30.1	Very low	31.7	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	80%	0.796	S	S	*	*			trans	-60.3	110.1	174.7	-160.8	7.3	0	0	0	108.8	E18 G22	E18-D20 PolarHBondContact O-N 3.44Å; D20-G22 PolarHBondContact O-N 2.97Å
21	Q	29.1	Very low	31.8	Very low	178 Å²	178	153.8 Å²	153.8	83%	0.832	80%	0.801	S	S	*	*			trans	-75.5	75.7	171.9	-74.9	-172.1	-9.6	0	0	108.5	V19 T23	V19-Q21 PolarHBondContact O-N 3.33Å; V19-Q21 VanDerWaalsContact O-N 3.09Å; Q21-T23 PolarHBondContact O-N 3.24Å
22	G	30.5	Very low	31.8	Very low	57 Å²	57	151.2 Å²	151.2	59%	0.588	80%	0.802	S	S	*	*			trans	-67.6	93.4	166	0	0	0	0	0	110.2	D20 V24	D20-G22 PolarHBondContact O-N 2.97Å; G22-V24 PolarHBondContact O-N 3.48Å
23	T	28.4	Very low	31.8	Very low	140 Å²	140	148.6 Å²	148.6	86%	0.859	80%	0.801	S	S	*	*			trans	-55.2	99.2	160.8	27.1	0	0	0	0	109.6	Q21	Q21-T23 PolarHBondContact O-N 3.24Å
24	V	33.3	Very low	31.9	Very low	116 Å²	116	146 Å²	146	70%	0.703	80%	0.797	S	S	*	*			trans	-96.7	101.5	162.8	-177.4	0	0	0	0	107.3	G22 Y26	G22-V24 PolarHBondContact O-N 3.48Å; V24-Y26 HydrophobicContact CG1-CD2 3.86Å; V24-Y26 HydrophobicContact CG1-CE2 4.36Å; V24-Y26 PolarHBondContact O-N 2.89Å; V24-Y26 VanDerWaalsContact O-N 3.16Å
25	E	27.9	Very low	32.1	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	80%	0.797	S	S	*	*			trans	-63.4	105.9	164.5	-74.8	-178.1	153.2	0	0	109
26	Y	33	Very low	32.2	Very low	205 Å²	205	146.7 Å²	146.7	80%	0.804	80%	0.804	S	S	*	*			trans	-106.8	102.8	158.7	-111.9	-87.3	0	0	0	108.8	V24 S28	V24-Y26 HydrophobicContact CG1-CD2 3.86Å; V24-Y26 HydrophobicContact CG1-CE2 4.36Å; V24-Y26 PolarHBondContact O-N 2.89Å; V24-Y26 VanDerWaalsContact O-N 3.16Å; Y26-S28 PolarHBondContact O-N 2.9Å; Y26-S28 VanDerWaalsContact O-N 3.15Å
27	S	28	Very low	32.5	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	81%	0.806	S	S	*	*			trans	-57.9	110.6	160.4	-86.7	0	0	0	0	108.7
28	S	34.3	Very low	32.7	Very low	111 Å²	111	146.6 Å²	146.6	78%	0.776	81%	0.808	S	S	*	*			trans	-108.8	112.1	159.3	45.2	0	0	0	0	107.9	Y26 L30	Y26-S28 PolarHBondContact O-N 2.9Å; Y26-S28 VanDerWaalsContact O-N 3.15Å; S28-L30 PolarHBondContact O-N 3.43Å
29	Q	33.4	Very low	33	Very low	195 Å²	195	148.1 Å²	148.1	91%	0.911	81%	0.812	S	S	*	*			trans	-60	128.6	164.5	-83.1	172.2	-28.2	0	0	108.4	D31	Q29-D31 PolarHBondContact O-N 3.48Å
30	L	31.1	Very low	33.2	Very low	176 Å²	176	148.9 Å²	148.9	92%	0.921	81%	0.812	S	S	*	*			trans	-47.9	119.7	162.9	-69	152.6	0	0	0	109.6	S28	S28-L30 PolarHBondContact O-N 3.43Å
31	D	33.4	Very low	33.3	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	81%	0.813	S	S	*	*			trans	-143.6	129.4	138.4	-131.9	-12	0	0	0	110.5	Q29	Q29-D31 PolarHBondContact O-N 3.48Å
32	S	32.1	Very low	33.6	Very low	98 Å²	98	141.8 Å²	141.8	69%	0.685	81%	0.812	S	S	*	*			trans	-84.3	130.4	-170.6	48.6	0	0	0	0	111.5
33	S	35	Very low	33.8	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	82%	0.819	S	S	*	*			trans	171	148	138.4	29.9	0	0	0	0	111.6
34	D	35.6	Very low	34	Very low	148 Å²	148	143.7 Å²	143.7	79%	0.791	82%	0.816	S	S	*	*			trans	82	87.3	162.9	-56	-13.7	0	0	0	116.4
35	S	36.3	Very low	34.1	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	82%	0.82	S	S	*	*				92.3	111.9	71.7	66.5	0	0	0	0	112.2
36	D	35.2	Very low	34.3	Very low	162 Å²	162	144 Å²	144	87%	0.866	81%	0.814	S	S	*	*			trans	-56.1	136.3	172.8	-52.5	-66.3	0	0	0	112.5
37	E	38.5	Very low	34.3	Very low	197 Å²	197	140.7 Å²	140.7	92%	0.921	82%	0.82	S	S	*	*			trans	-135.9	105.4	152.3	-76.1	-157	168.7	0	0	110.7
38	D	38.4	Very low	34.3	Very low	155 Å²	155	143.3 Å²	143.3	83%	0.829	82%	0.819	S	S	*	*			trans	-58	130	157.9	-77.1	-47.1	0	0	0	110.2	D40	D38-D40 PolarHBondContact O-N 3.49Å
39	F	35.7	Very low	34.3	Very low	216 Å²	216	148.4 Å²	148.4	95%	0.947	83%	0.828	S	S	*	*			trans	-88	86	170	-149.4	-95	0	0	0	109.7
40	D	38.8	Very low	34	Very low	141 Å²	141	149.4 Å²	149.4	75%	0.754	82%	0.823	S	S	*	*			trans	-84.6	147.6	170.2	-159.7	4.8	0	0	0	111	D38 G42	D38-D40 PolarHBondContact O-N 3.49Å; D40-G42 PolarHBondContact O-N 2.85Å
41	A	31.7	Very low	34.1	Very low	99 Å²	99	147.6 Å²	147.6	82%	0.818	81%	0.814	S	S	*	*			trans	-74.9	109.1	179.9	0	0	0	0	0	110.8
42	G	34	Very low	34	Very low	79 Å²	79	148 Å²	148	81%	0.814	81%	0.811	S	S	*	*			trans	-114.8	116.3	177.1	0	0	0	0	0	113	D40	D40-G42 PolarHBondContact O-N 2.85Å
43	A	35.3	Very low	33.7	Very low	88 Å²	88	150.6 Å²	150.6	73%	0.727	81%	0.812	S	S	*	*			trans	-84.3	154.5	172	0	0	0	0	0	112.6
44	N	32.5	Very low	33.6	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	81%	0.807	S	S	*	*			trans	81.1	115.3	160.3	-55.1	-24.4	0	0	0	118.1
45	D	35.7	Very low	33.4	Very low	147 Å²	147	156.2 Å²	156.2	79%	0.786	81%	0.811	S	S	*	*				-165.6	142.3	104.2	-105.3	-19.4	0	0	0	114.4
46	E	32.7	Very low	33	Very low	163 Å²	163	154.5 Å²	154.5	76%	0.762	81%	0.81	S	S	*	*			trans	52.2	105.2	148.8	-61.2	-168.2	142	0	0	122.1
47	C	32.7	Very low	33.1	Very low	137 Å²	137	153 Å²	153	93%	0.926	81%	0.812	S	S	*	*			trans	-144.6	111.5	130.8	-117.5	0	0	0	0	111.6
48	Q	28.3	Very low	32.7	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.822	81%	0.807	S	S	*	*			trans	-62.1	126.4	172.9	-75.4	171	-16.3	0	0	111.4
49	F	33	Very low	32.4	Very low	219 Å²	219	151.4 Å²	151.4	96%	0.961	81%	0.809	S	S	*	*			trans	-143.9	141.1	141	-110.5	-84.6	0	0	0	110.6
50	R	29	Very low	32.2	Very low	215 Å²	215	146.8 Å²	146.8	81%	0.811	80%	0.799	S	S	*	*			trans	-104.1	158	-151.4	-136.9	-179.2	-179.5	174.9	-0.1	110.5
51	L	31.3	Very low	32	Very low	139 Å²	139	147.7 Å²	147.7	73%	0.728	80%	0.803	S	S	*	*			trans	77.8	133.4	154.5	-62.1	154.8	0	0	0	115.6
52	E	31.3	Very low	32.1	Very low	167 Å²	167	151 Å²	151	78%	0.78	80%	0.802	S	S	*	*			cis	-153.9	164.5	8.4	-78.8	-139.3	142.7	0	0	111.6
53	E	26.7	Very low	31.8	Very low	151 Å²	151	155.6 Å²	155.6	71%	0.706	80%	0.801	S	S	*	*			trans	-60.8	151.2	177	-56.6	174.3	112.2	0	0	115.7
54	H	32.6	Very low	31.8	Very low	141 Å²	141	159.1 Å²	159.1	65%	0.653	81%	0.806	S	S	*	*				165.3	131.4	107.3	-86	-41.2	0	0	0	114.4
55	R	31.7	Very low	31.7	Very low	231 Å²	231	157.8 Å²	157.8	87%	0.872	80%	0.804	S	S	*	*			trans	55.3	114.5	142.8	-61.6	178.7	174.5	-166.6	-1.4	117.2
56	G	28.5	Very low	31.5	Very low	71 Å²	71	153.9 Å²	153.9	73%	0.732	80%	0.798	S	S	*	*			cis	113.1	113.1	41.4	0	0	0	0	0	108.9
57	S	36.2	Very low	31.6	Very low	130 Å²	130	158.3 Å²	158.3	91%	0.909	81%	0.808	S	S	*	*			trans	-166	117.4	155.4	-81.4	0	0	0	0	110.4
58	N	30.7	Very low	32.1	Very low	151 Å²	151	163.5 Å²	163.5	81%	0.807	81%	0.808	S	S	*	*			trans	-68.7	144.6	-171.5	-64.8	-57.5	0	0	0	114.5
59	L	32.4	Very low	32.3	Very low	168 Å²	168	158.4 Å²	158.4	88%	0.88	80%	0.802	S	S	*	*			trans	-146.7	90.3	144.3	-108.6	153.7	0	0	0	108.1
60	V	30.5	Very low	32.5	Very low	120 Å²	120	152 Å²	152	73%	0.727	79%	0.785	S	S	*	*			trans	-88.5	114.8	170.6	173.1	0	0	0	0	107
61	L	35.4	Very low	33.4	Very low	160 Å²	160	150.6 Å²	150.6	84%	0.838	79%	0.785	S	S	*	*			trans	-98.5	127.2	162.9	-134.3	94	0	0	0	109.1
62	Q	33.1	Very low	34.1	Very low	169 Å²	169	150.2 Å²	150.2	79%	0.79	78%	0.783	S	S	*	*			trans	-64.1	143.9	-172	-69.3	161.7	-42.6	0	0	113.3	I64	Q62-I64 PolarHBondContact O-N 3.34Å
63	H	27.7	Very low	34.3	Very low	175 Å²	175	150.7 Å²	150.7	81%	0.81	78%	0.779	S	S	*	*			trans	4.8	102.6	146.2	-99.1	-99	0	0	0	116.3
64	I	35.1	Very low	34.8	Very low	161 Å²	161	155.2 Å²	155.2	83%	0.826	79%	0.79	S	S	*	*			trans	-109.7	96.8	149.5	-62.6	177	0	0	0	106.6	Q62 G66	Q62-I64 PolarHBondContact O-N 3.34Å; I64-G66 PolarHBondContact O-N 3.1Å
65	T	31.1	Very low	35	Very low	123 Å²	123	156.9 Å²	156.9	76%	0.755	80%	0.798	S	S	*	*			trans	-72	103.9	168.5	46.9	0	0	0	0	108.6
66	G	32.4	Very low	35.1	Very low	65 Å²	65	154.9 Å²	154.9	67%	0.67	80%	0.798	S	S	*	*			trans	179.4	58.4	178	0	0	0	0	0	111.7	I64 R68	I64-G66 PolarHBondContact O-N 3.1Å; G66-R68 PolarHBondContact O-N 3.37Å
67	R	33.2	Very low	35.5	Very low	256 Å²	256	156.9 Å²	156.9	97%	0.966	80%	0.796	S	S	*	*			trans	-70.6	99.9	179.5	-152.6	-178.2	-159.5	-163.5	5.2	109	G69	R67-G69 PolarHBondContact O-N 3.35Å
68	R	43.4	Very low	35.5	Very low	246 Å²	246	158.9 Å²	158.9	93%	0.928	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.3	120.7	172.4	-151.6	177	-177.2	-141.7	1.3	108	G66	G66-R68 PolarHBondContact O-N 3.37Å
69	G	32.9	Very low	35.7	Very low	68 Å²	68	157.5 Å²	157.5	70%	0.701	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.8	145.8	-175.3	0	0	0	0	0	113.6	R67	R67-G69 PolarHBondContact O-N 3.35Å
70	S	38.2	Very low	35.8	Very low	86 Å²	86	152.8 Å²	152.8	60%	0.601	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.3	141.6	178.3	53.4	0	0	0	0	112.3	L72 Y73	S70-L72 PolarHBondContact O-N 3.28Å; S70-Y73 PolarHBondContact O-N 2.88Å
71	F	48	Very low	35.8	Very low	184 Å²	184	156.1 Å²	156.1	81%	0.807	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-11	-176.6	-157	-101.1	0	0	0	115.4	M200	F71-M200 HydrophobicContact CE1-SD 3.98Å; F71-M200 HydrophobicContact CZ-SD 4.12Å
72	L	45.4	Very low	35.7	Very low	132 Å²	132	153.4 Å²	153.4	69%	0.691	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-8.9	-172.9	-79.6	159.8	0	0	0	115.2	S70	S70-L72 PolarHBondContact O-N 3.28Å
73	Y	34.7	Very low	35.6	Very low	176 Å²	176	154 Å²	154	69%	0.69	79%	0.789	S	S	*	*			trans	-144.8	110.2	178.1	-84.2	-85	0	0	0	110.6	S70	S70-Y73 PolarHBondContact O-N 2.88Å
74	R	37.4	Very low	35.8	Very low	246 Å²	246	155.7 Å²	155.7	93%	0.928	79%	0.789	S	S	*	*			trans	-99.4	99.9	168.4	-152.8	178.5	-167	166.2	2.3	108	E76	R74-E76 PolarHBondContact O-N 3.35Å
75	Q	36.2	Very low	35.8	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	79%	0.787	S	S	*	*			trans	-76.8	109.1	176.6	-149.9	169.8	11.5	0	0	108.3	T77	Q75-T77 PolarHBondContact O-N 3.47Å
76	E	33.8	Very low	35.9	Very low	190 Å²	190	151.7 Å²	151.7	89%	0.888	78%	0.781	S	S	*	*			trans	-73.1	104.1	171.4	-70	-166	164.2	0	0	109.4	R74	R74-E76 PolarHBondContact O-N 3.35Å
77	T	37.2	Very low	36.1	Very low	112 Å²	112	159.7 Å²	159.7	69%	0.687	79%	0.791	S	S	*	*			trans	-117	99.9	164.2	57.9	0	0	0	0	108.4	Q75	Q75-T77 PolarHBondContact O-N 3.47Å
78	N	35.9	Very low	36.1	Very low	173 Å²	173	155.8 Å²	155.8	93%	0.925	78%	0.783	S	S	*	*			trans	-120.9	91.3	165.3	-113.3	3	0	0	0	109.5
79	S	35.5	Very low	35.7	Very low	122 Å²	122	152.5 Å²	152.5	85%	0.853	78%	0.778	S	S	*	*			trans	-90.6	119.3	160.7	51.8	0	0	0	0	109.1
80	G	34.8	Very low	35.6	Very low	68 Å²	68	153.5 Å²	153.5	70%	0.701	77%	0.774	S	S	*	*			trans	139.2	85.1	159	0	0	0	0	0	117.2
81	H	29.5	Very low	35.3	Very low	191 Å²	191	156.5 Å²	156.5	88%	0.884	78%	0.782	S	S	*	*			trans	35.4	120.6	142.6	-74.8	-56.6	0	0	0	121.6
82	S	35.1	Very low	34.4	Very low	103 Å²	103	154.5 Å²	154.5	72%	0.72	79%	0.785	S	S	*	*				-174.7	112.7	112	58.4	0	0	0	0	114.1
83	Y	31.2	Very low	33.6	Very low	182 Å²	182	151.9 Å²	151.9	71%	0.714	79%	0.79	S	S	*	*				69.6	115.8	129.2	-71.8	-60.1	0	0	0	124.3
84	Y	31.8	Very low	33.4	Very low	209 Å²	209	149.4 Å²	149.4	82%	0.82	79%	0.789	S	S	*	*			trans	64.3	135.5	147.4	-53.5	-64.8	0	0	0	117.4
85	S	33.6	Very low	33.1	Very low	112 Å²	112	146.9 Å²	146.9	78%	0.783	79%	0.788	S	S	*	*			cis	-164.4	153.7	26.2	-177.8	0	0	0	0	110.9
86	S	33.2	Very low	33.2	Very low	88 Å²	88	143.6 Å²	143.6	62%	0.615	78%	0.78	S	S	*	*			trans	-59	155.3	-173.7	59.1	0	0	0	0	120.2
87	R	36.5	Very low	33.3	Very low	234 Å²	234	141 Å²	141	88%	0.883	78%	0.777	S	S	*	*				171.6	100.9	117.2	-88.6	165.8	-170	-156.8	3.3	109.7
88	H	33.8	Very low	32.9	Very low	173 Å²	173	146 Å²	146	80%	0.801	78%	0.784	S	S	*	*				41.9	127.2	106.9	-93.6	-90.7	0	0	0	114.6
89	E	35.8	Very low	32.8	Very low	178 Å²	178	148.5 Å²	148.5	83%	0.832	78%	0.781	S	S	*	*				-156.1	121.9	64.5	-75.6	165.7	163.6	0	0	110
90	S	30.1	Very low	32.9	Very low	88 Å²	88	151.2 Å²	151.2	62%	0.615	78%	0.781	S	S	*	*				60	111.1	86	61.3	0	0	0	0	118.6
91	I	31.8	Very low	33.1	Very low	149 Å²	149	155.3 Å²	155.3	76%	0.764	79%	0.785	S	S	*	*			trans	96.7	126.7	133.8	-73.1	169.5	0	0	0	119.6
92	T	29.6	Very low	33.9	Very low	143 Å²	143	153.4 Å²	153.4	88%	0.877	78%	0.781	S	S	*	*			trans	83	119.6	165.5	62.5	0	0	0	0	119.8
93	G	27.7	Very low	34.6	Very low	77 Å²	77	155.1 Å²	155.1	79%	0.794	78%	0.778	S	S	*	*			trans	134.6	93.8	148.5	0	0	0	0	0	116.7
94	D	31.5	Very low	36.3	Very low	124 Å²	124	151.6 Å²	151.6	66%	0.663	78%	0.777	S	S	*	*			trans	93.1	115.2	144.4	-136.9	-7.9	0	0	0	120.4	T96	D94-T96 PolarHBondContact O-N 2.84Å
95	E	31.1	Very low	37.9	Very low	192 Å²	192	145.1 Å²	145.1	90%	0.897	76%	0.756	S	S	*	*	S	Bend	trans	-89.2	25.7	-165.4	-75.4	-173.3	131.6	0	0	114.5
96	T	36.9	Very low	39.5	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.663	74%	0.737	S	S	*	*	S	Bend	trans	-109.7	4.7	-173.1	37.8	0	0	0	0	116.1	D94	D94-T96 PolarHBondContact O-N 2.84Å
97	T	35.9	Very low	41.5	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	72%	0.722	S	S	*	*	S	Bend	trans	-113.1	16.5	-175.7	47.7	0	0	0	0	114.8
98	R	28.8	Very low	43.4	Very low	218 Å²	218	130.7 Å²	130.7	82%	0.823	69%	0.686	S	S	*	*			trans	-117.6	30.7	-164.4	-138.7	-176.5	-158	-174.9	5.9	116.8
99	Y	34.3	Very low	45.6	Very low	224 Å²	224	123 Å²	123	88%	0.878	65%	0.65	S	S	*	*			trans	-154.5	71.2	164.7	-72.8	-75.1	0	0	0	112
100	Q	37.4	Very low	47.7	Very low	180 Å²	180	115.6 Å²	115.6	84%	0.841	62%	0.619	S	S	*	*			trans	-132.6	83.8	158.2	-142.8	171.7	10.1	0	0	106.6	D102	Q100-D102 PolarHBondContact O-N 3.2Å; Q100-D102 VanDerWaalsContact O-N 3.15Å
101	I	39.2	Very low	50.2	Low	154 Å²	154	115.6 Å²	115.6	79%	0.79	61%	0.61	S	S	*	*			trans	-65.5	110.5	167.2	-65.6	172.5	0	0	0	104.7	E103	I101-E103 PolarHBondContact O-N 3.18Å
102	D	47.3	Very low	52.8	Low	151 Å²	151	112.3 Å²	112.3	81%	0.807	59%	0.593	S	S	*	*			trans	-62.7	73.2	173.4	-83.3	-35.2	0	0	0	109.9	Q100	Q100-D102 PolarHBondContact O-N 3.2Å; Q100-D102 VanDerWaalsContact O-N 3.15Å
103	E	50.1	Low	55.4	Low	138 Å²	138	105.7 Å²	105.7	65%	0.645	55%	0.552	S	S	*	*			trans	-71.6	124	166.4	-159.1	164.2	-153.2	0	0	107.4	I101 I105	I101-E103 PolarHBondContact O-N 3.18Å; E103-I105 PolarHBondContact O-N 3.37Å
104	P	66.6	Low	58.1	Low	108 Å²	108	103.9 Å²	103.9	70%	0.701	53%	0.53	S	S	*	.			trans	-64.1	110.3	-173.6	24.5	-33.2	0	0	0	109.7	V106	P104-V106 VanDerWaalsContact O-CG2 3.28Å; P104-V106 WeakPolarHBondContact O-CG2 3.26Å; P104-V106 PolarHBondContact O-N 3.15Å
105	I	64.3	Low	60.9	Low	73 Å²	73	101.4 Å²	101.4	37%	0.374	52%	0.522	S	S	.	.			trans	-64.1	110.8	175.1	-57.6	176.3	0	0	0	108.3	E103 A110 Q111 A114	E103-I105 PolarHBondContact O-N 3.37Å; I105-A110 HydrophobicContact CG2-CB 3.28Å; I105-Q111 HydrophobicContact CB-CG 4.06Å; I105-Q111 HydrophobicContact CG2-CG 3.87Å; I105-Q111 WeakPolarHBondContact O-CG 3.49Å; I105-Q111 PolarHBondContact O-NE2 3.1Å; I105-A114 HydrophobicContact CD1-CB 3.52Å
106	V	67.3	Low	63.7	Low	62 Å²	62	94.6 Å²	94.6	38%	0.376	49%	0.491	S	S	.	.			trans	-84.1	-39.3	-172.4	-176.7	0	0	0	0	112.1	P104 K196 F197	P104-V106 VanDerWaalsContact O-CG2 3.28Å; P104-V106 WeakPolarHBondContact O-CG2 3.26Å; P104-V106 PolarHBondContact O-N 3.15Å; V106-K196 PolarHBondContact O-NZ 2.88Å; V106-F197 HydrophobicContact CG1-CE1 3.58Å; V106-F197 HydrophobicContact CG1-CZ 3.89Å
107	T	75.4	Confident	66.2	Low	50 Å²	50	95.2 Å²	95.2	31%	0.307	48%	0.482	S	S	.	.	S	Bend	trans	-76.3	132.8	-174.7	58.2	0	0	0	0	111.1	F109 A110 Q111 A193	T107-F109 VanDerWaalsContact C-N 3.3Å; T107-F109 PolarHBondContact O-N 3.29Å; T107-A110 PolarHBondContact O-N 3.45Å; T107-A110 VanDerWaalsContact OG1-CB 3.23Å; T107-A110 WeakPolarHBondContact OG1-CB 3.14Å; T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 3.48Å; T107-Q111 VanDerWaalsContact O-N 3.08Å; T107-A193 HydrophobicContact CG2-CB 4.16Å
108	P	77.3	Confident	68.8	Low	20 Å²	20	95.4 Å²	95.4	13%	0.13	47%	0.471	C	S	.	.	H	α-helix	trans	-59.6	-39	-175.6	19.7	-25.9	0	0	0	112.8	Q111 I112 M192 K196	P108-Q111 WeakPolarHBondContact O-CB 3.42Å; P108-Q111 PolarHBondContact O-N 3.48Å; P108-I112 WeakPolarHBondContact O-CG1 3.33Å; P108-I112 PolarHBondContact O-N 2.68Å; P108-M192 HydrophobicContact CB-CG 4.2Å; P108-M192 HydrophobicContact CB-SD 3.85Å; P108-M192 HydrophobicContact CG-CB 4.29Å; P108-M192 HydrophobicContact CG-CG 3.61Å; P108-M192 WeakPolarHBondContact CG-O 3.29Å; P108-M192 HydrophobicContact CG-SD 3.8Å; P108-K196 HydrophobicContact CB-CD 3.92Å; P108-K196 HydrophobicContact CG-CB 4.01Å; P108-K196 HydrophobicContact CG-CD 3.71Å; P108-K196 HydrophobicContact CG-CG 4.47Å
109	F	78.7	Confident	71.8	Confident	11 Å²	11	88.4 Å²	88.4	5%	0.048	45%	0.452	C	S	.	.	H	α-helix	trans	-60.9	-47.9	178.3	-172.2	-107.5	0	0	0	112.6	T107 Q111 I112 L113 L180 Q184 V189 M192	T107-F109 VanDerWaalsContact C-N 3.3Å; T107-F109 PolarHBondContact O-N 3.29Å; F109-Q111 VanDerWaalsContact C-N 3.29Å; F109-Q111 PolarHBondContact O-N 2.9Å; F109-I112 WeakPolarHBondContact O-CB 3.48Å; F109-I112 PolarHBondContact O-N 3.1Å; F109-I112 VanDerWaalsContact O-N 3.14Å; F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD1-CG 4.3Å; F109-L113 HydrophobicContact CE1-CD1 3.35Å; F109-L113 HydrophobicContact CE1-CG 3.88Å; F109-L113 HydrophobicContact CZ-CD1 3.99Å; F109-L113 HydrophobicContact CZ-CD2 4.4Å; F109-L113 HydrophobicContact CZ-CG 4.09Å; F109-L113 PolarHBondContact O-N 3.4Å; F109-L180 HydrophobicContact CE2-CD2 4.09Å; F109-L180 HydrophobicContact CZ-CB 4.15Å; F109-L180 HydrophobicContact CZ-CD2 4.35Å; F109-L180 VanDerWaalsContact CZ-O 3.22Å; F109-L180 WeakPolarHBondContact CZ-O 3.41Å; F109-Q184 HydrophobicContact CD1-CG 4.03Å; F109-Q184 HydrophobicContact CE1-CB 3.88Å; F109-Q184 HydrophobicContact CE1-CG 3.8Å; F109-V189 HydrophobicContact CB-CG1 3.86Å; F109-V189 HydrophobicContact CB-CG2 4.41Å; F109-V189 HydrophobicContact CD1-CG1 3.96Å; F109-V189 HydrophobicContact CD1-CG2 3.72Å; F109-V189 HydrophobicContact CD2-CG2 4.23Å; F109-V189 HydrophobicContact CE1-CG2 3.99Å; F109-V189 HydrophobicContact CE2-CG2 4.49Å; F109-V189 HydrophobicContact CG-CG1 4.07Å; F109-V189 HydrophobicContact CG-CG2 3.85Å; F109-V189 HydrophobicContact CZ-CG2 4.37Å; F109-M192 HydrophobicContact CB-SD 4.05Å; F109-M192 HydrophobicContact CD2-CE 4.18Å
110	A	80.4	Confident	74.5	Confident	22 Å²	22	78.8 Å²	78.8	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-65.7	-31.6	176.4	0	0	0	0	0	112.5	I105 T107 L113 A114	I105-A110 HydrophobicContact CG2-CB 3.28Å; T107-A110 PolarHBondContact O-N 3.45Å; T107-A110 VanDerWaalsContact OG1-CB 3.23Å; T107-A110 WeakPolarHBondContact OG1-CB 3.14Å; A110-L113 PolarHBondContact O-N 2.91Å; A110-A114 VanDerWaalsContact O-CB 3.32Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3.29Å
111	Q	83.7	Confident	77	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-42.9	171.8	-68.6	-179.9	-27.3	0	0	111.2	I105 T107 P108 F109 S115 K196	I105-Q111 HydrophobicContact CB-CG 4.06Å; I105-Q111 HydrophobicContact CG2-CG 3.87Å; I105-Q111 WeakPolarHBondContact O-CG 3.49Å; I105-Q111 PolarHBondContact O-NE2 3.1Å; T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 3.48Å; T107-Q111 VanDerWaalsContact O-N 3.08Å; P108-Q111 WeakPolarHBondContact O-CB 3.42Å; P108-Q111 PolarHBondContact O-N 3.48Å; F109-Q111 VanDerWaalsContact C-N 3.29Å; F109-Q111 PolarHBondContact O-N 2.9Å; Q111-S115 WeakPolarHBondContact O-CB 3.27Å; Q111-S115 PolarHBondContact O-N 3.35Å; Q111-K196 VanDerWaalsContact CD-NZ 3.33Å
112	I	85.8	Confident	79.6	Confident	80 Å²	80	71.1 Å²	71.1	41%	0.41	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-48.8	175.5	-67.7	164.6	0	0	0	110	P108 F109 A114 S115 L116 M192	P108-I112 WeakPolarHBondContact O-CG1 3.33Å; P108-I112 PolarHBondContact O-N 2.68Å; F109-I112 WeakPolarHBondContact O-CB 3.48Å; F109-I112 PolarHBondContact O-N 3.1Å; F109-I112 VanDerWaalsContact O-N 3.14Å; I112-A114 PolarHBondContact O-N 2.99Å; I112-S115 WeakPolarHBondContact O-CB 3.46Å; I112-S115 PolarHBondContact O-N 3.46Å; I112-L116 HydrophobicContact CG2-CD1 3.77Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.9Å; I112-M192 HydrophobicContact CD1-SD 4.33Å
113	L	84.2	Confident	81.7	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-46.6	177.2	-80.3	-179.6	0	0	0	112.4	F109 A110 S115 L116 R117 L177 L180 E181	F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD1-CG 4.3Å; F109-L113 HydrophobicContact CE1-CD1 3.35Å; F109-L113 HydrophobicContact CE1-CG 3.88Å; F109-L113 HydrophobicContact CZ-CD1 3.99Å; F109-L113 HydrophobicContact CZ-CD2 4.4Å; F109-L113 HydrophobicContact CZ-CG 4.09Å; F109-L113 PolarHBondContact O-N 3.4Å; A110-L113 PolarHBondContact O-N 2.91Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 3.09Å; L113-L116 PolarHBondContact O-N 2.83Å; L113-R117 WeakPolarHBondContact O-CB 3.22Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.33Å; L113-L177 HydrophobicContact CD2-CD2 4.33Å; L113-L180 HydrophobicContact CD2-CB 3.74Å; L113-L180 HydrophobicContact CD2-CD1 4.38Å; L113-E181 HydrophobicContact CD1-CG 4.34Å; L113-E181 HydrophobicContact CD2-CG 4.24Å
114	A	84.5	Confident	83.6	Confident	39 Å²	39	61.5 Å²	61.5	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-41	176.7	0	0	0	0	0	111.9	I105 A110 I112 K118	I105-A114 HydrophobicContact CD1-CB 3.52Å; A110-A114 VanDerWaalsContact O-CB 3.32Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3.29Å; I112-A114 PolarHBondContact O-N 2.99Å; A114-K118 PolarHBondContact O-N 3.26Å
115	S	89.5	Confident	84.7	Confident	71 Å²	71	61.8 Å²	61.8	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-44.9	175.1	-171.8	0	0	0	0	111.9	Q111 I112 L113 K118 V119	Q111-S115 WeakPolarHBondContact O-CB 3.27Å; Q111-S115 PolarHBondContact O-N 3.35Å; I112-S115 WeakPolarHBondContact O-CB 3.46Å; I112-S115 PolarHBondContact O-N 3.46Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 3.09Å; S115-K118 WeakPolarHBondContact O-CB 3.32Å; S115-K118 PolarHBondContact O-N 3.28Å; S115-V119 WeakPolarHBondContact O-CG2 3.3Å; S115-V119 PolarHBondContact O-N 3.34Å
116	L	91	Very high	85.9	Confident	50 Å²	50	65.5 Å²	65.5	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-38	178.6	-71.2	173	0	0	0	112	I112 L113 K118 V119 R120 L177 L180	I112-L116 HydrophobicContact CG2-CD1 3.77Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.9Å; L113-L116 PolarHBondContact O-N 2.83Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.93Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.34Å; L116-V119 VanDerWaalsContact O-N 3.17Å; L116-R120 PolarHBondContact O-N 3.31Å; L116-L177 HydrophobicContact CB-CD2 3.66Å; L116-L177 HydrophobicContact CD1-CD2 4.4Å; L116-L180 HydrophobicContact CD1-CD1 3.6Å
117	R	87.9	Confident	86.9	Confident	120 Å²	120	64.4 Å²	64.4	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-39.4	171.6	-74.2	176.6	179.5	167.5	-5.1	111.7	L113 R120 F121 L177 E181	L113-R117 WeakPolarHBondContact O-CB 3.22Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.33Å; R117-R120 PolarHBondContact O-N 3.36Å; R117-F121 PolarHBondContact O-N 3.3Å; R117-L177 HydrophobicContact CG-CD2 4.4Å; R117-E181 IonicContact CZ-OE1 3.25Å; R117-E181 VanDerWaalsContact CZ-OE1 3.26Å; R117-E181 IonicContact NE-OE1 3.66Å; R117-E181 PolarHBondContact NE-OE1 2.99Å; R117-E181 IonicContact NH2-OE1 3.64Å; R117-E181 PolarHBondContact NH2-OE1 2.95Å; R117-E181 IonicContact NH2-OE2 3.91Å
118	K	90.7	Very high	87.3	Confident	139 Å²	139	68.7 Å²	68.7	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-66.4	-38.5	172.9	-171.9	174.9	-177.6	173.8	0	112.3	A114 S115 L116 F121 N122	A114-K118 PolarHBondContact O-N 3.26Å; S115-K118 WeakPolarHBondContact O-CB 3.32Å; S115-K118 PolarHBondContact O-N 3.28Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.93Å; K118-F121 PolarHBondContact O-N 3.29Å; K118-N122 WeakPolarHBondContact O-CB 3.3Å; K118-N122 PolarHBondContact O-N 3.04Å; K118-N122 PolarHBondContact O-ND2 3.32Å
119	V	92.5	Very high	87.7	Confident	72 Å²	72	68.5 Å²	68.5	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-46.8	172.8	171.1	0	0	0	0	110.5	S115 L116 F121 N122 F123	S115-V119 WeakPolarHBondContact O-CG2 3.3Å; S115-V119 PolarHBondContact O-N 3.34Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.34Å; L116-V119 VanDerWaalsContact O-N 3.17Å; V119-F121 PolarHBondContact O-N 3.14Å; V119-N122 PolarHBondContact O-N 2.71Å; V119-F123 WeakPolarHBondContact O-CB 3.33Å; V119-F123 PolarHBondContact O-N 3.22Å
120	R	91.2	Very high	87.6	Confident	22 Å²	22	73.5 Å²	73.5	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-55.5	-50.2	174.2	178.7	-172.1	170.9	-91.4	-0.2	111.4	L116 R117 N122 F123 I124 S131 D134 L170 L173 E174 L177	L116-R120 PolarHBondContact O-N 3.31Å; R117-R120 PolarHBondContact O-N 3.36Å; R120-N122 VanDerWaalsContact C-N 3.35Å; R120-N122 PolarHBondContact O-N 3.47Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 PolarHBondContact O-N 2.84Å; R120-F123 VanDerWaalsContact O-N 3.15Å; R120-I124 HydrophobicContact CG-CD1 4.15Å; R120-I124 WeakPolarHBondContact O-CG1 3.24Å; R120-I124 PolarHBondContact O-N 3.19Å; R120-S131 PolarHBondContact NH2-OG 2.84Å; R120-D134 IonicContact NH2-OD1 3.4Å; R120-L170 HydrophobicContact CG-CD1 4.13Å; R120-L173 HydrophobicContact CB-CD2 3.94Å; R120-L173 HydrophobicContact CG-CD2 4.38Å; R120-E174 IonicContact CZ-OE1 2.8Å; R120-E174 IonicContact NE-OE1 3.74Å; R120-E174 PolarHBondContact NE-OE1 3.47Å; R120-E174 IonicContact NH2-OE1 3.19Å; R120-E174 PolarHBondContact NH2-OE1 3.32Å; R120-L177 HydrophobicContact CB-CD1 4.04Å; R120-L177 HydrophobicContact CG-CD1 4.41Å
121	F	90.3	Very high	87.1	Confident	105 Å²	105	73 Å²	73	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-57	-48	178.7	178.9	-99.3	0	0	0	111.8	R117 K118 V119 F123 I124 L125	R117-F121 PolarHBondContact O-N 3.3Å; K118-F121 PolarHBondContact O-N 3.29Å; V119-F121 PolarHBondContact O-N 3.14Å; F121-F123 VanDerWaalsContact C-N 3.33Å; F121-F123 PolarHBondContact O-N 3.17Å; F121-I124 PolarHBondContact O-N 2.89Å; F121-L125 HydrophobicContact CD1-CD1 3.88Å; F121-L125 HydrophobicContact CE1-CD1 3.38Å; F121-L125 HydrophobicContact CE1-CG 4.22Å; F121-L125 HydrophobicContact CZ-CD1 3.87Å; F121-L125 HydrophobicContact CZ-CG 4.37Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å; F121-L125 PolarHBondContact O-N 3.03Å; F121-L125 VanDerWaalsContact O-N 3.13Å
122	N	92.4	Very high	86.2	Confident	68 Å²	68	74.7 Å²	74.7	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-33.7	177.4	-70.8	-26.6	0	0	0	112.7	K118 V119 R120 L125 L126	K118-N122 WeakPolarHBondContact O-CB 3.3Å; K118-N122 PolarHBondContact O-N 3.04Å; K118-N122 PolarHBondContact O-ND2 3.32Å; V119-N122 PolarHBondContact O-N 2.71Å; R120-N122 VanDerWaalsContact C-N 3.35Å; R120-N122 PolarHBondContact O-N 3.47Å; N122-L125 PolarHBondContact O-N 3.27Å; N122-L126 WeakPolarHBondContact O-CB 3.3Å; N122-L126 VanDerWaalsContact O-CG 3.27Å; N122-L126 WeakPolarHBondContact O-CG 3.32Å; N122-L126 PolarHBondContact O-N 3.1Å
123	F	92.6	Very high	85	Confident	46 Å²	46	74.5 Å²	74.5	20%	0.202	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-44.5	176.8	-176.3	-85.7	0	0	0	111.4	V119 R120 F121 L125 L126 T127 A166 T169 L170	V119-F123 WeakPolarHBondContact O-CB 3.33Å; V119-F123 PolarHBondContact O-N 3.22Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 PolarHBondContact O-N 2.84Å; R120-F123 VanDerWaalsContact O-N 3.15Å; F121-F123 VanDerWaalsContact C-N 3.33Å; F121-F123 PolarHBondContact O-N 3.17Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3.41Å; F123-L126 PolarHBondContact O-N 3Å; F123-T127 HydrophobicContact CD1-CG2 4.26Å; F123-T127 HydrophobicContact CD2-CG2 4.42Å; F123-T127 HydrophobicContact CE1-CG2 3.9Å; F123-T127 HydrophobicContact CE2-CG2 4.09Å; F123-T127 HydrophobicContact CZ-CG2 3.82Å; F123-T127 WeakPolarHBondContact O-CB 3.35Å; F123-T127 WeakPolarHBondContact O-CG2 3.39Å; F123-T127 PolarHBondContact O-N 2.75Å; F123-T127 PolarHBondContact O-OG1 2.94Å; F123-A166 WeakPolarHBondContact CE1-O 3.44Å; F123-A166 HydrophobicContact CZ-CB 4.26Å; F123-T169 HydrophobicContact CE2-CG2 4.11Å; F123-T169 HydrophobicContact CZ-CG2 4Å; F123-L170 HydrophobicContact CD1-CB 4.32Å; F123-L170 HydrophobicContact CD1-CD1 4.05Å; F123-L170 HydrophobicContact CE1-CB 3.89Å; F123-L170 HydrophobicContact CE1-CD1 4.48Å
124	I	89.7	Confident	83.5	Confident	41 Å²	41	78.8 Å²	78.8	21%	0.21	42%	0.415	C	S	.	.	H	α-helix	trans	-59.2	-46.5	174.4	-68.8	168.7	0	0	0	110.1	R120 F121 L126 T127 N128 L170	R120-I124 HydrophobicContact CG-CD1 4.15Å; R120-I124 WeakPolarHBondContact O-CG1 3.24Å; R120-I124 PolarHBondContact O-N 3.19Å; F121-I124 PolarHBondContact O-N 2.89Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.27Å; I124-T127 PolarHBondContact O-N 3.38Å; I124-N128 WeakPolarHBondContact O-CA 3Å; I124-N128 PolarHBondContact O-N 2.91Å; I124-L170 HydrophobicContact CD1-CD1 4.32Å; I124-L170 HydrophobicContact CG1-CD1 3.97Å; I124-L170 HydrophobicContact CG1-CD2 4.07Å
125	L	89.4	Confident	81.8	Confident	113 Å²	113	82.4 Å²	82.4	59%	0.592	44%	0.438	S	S	*	.	H	α-helix	trans	-60.7	-40.5	177.5	-71	177.9	0	0	0	113.2	F121 N122 F123	F121-L125 HydrophobicContact CD1-CD1 3.88Å; F121-L125 HydrophobicContact CE1-CD1 3.38Å; F121-L125 HydrophobicContact CE1-CG 4.22Å; F121-L125 HydrophobicContact CZ-CD1 3.87Å; F121-L125 HydrophobicContact CZ-CG 4.37Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å; F121-L125 PolarHBondContact O-N 3.03Å; F121-L125 VanDerWaalsContact O-N 3.13Å; N122-L125 PolarHBondContact O-N 3.27Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3.41Å
126	L	90.2	Very high	80	Confident	151 Å²	151	86.9 Å²	86.9	79%	0.791	44%	0.444	S	S	*	.	H	α-helix	trans	-75.6	-33.6	-177.3	-74.2	170.5	0	0	0	113.2	N122 F123 I124	N122-L126 WeakPolarHBondContact O-CB 3.3Å; N122-L126 VanDerWaalsContact O-CG 3.27Å; N122-L126 WeakPolarHBondContact O-CG 3.32Å; N122-L126 PolarHBondContact O-N 3.1Å; F123-L126 PolarHBondContact O-N 3Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.27Å
127	T	87.9	Confident	78.1	Confident	40 Å²	40	87 Å²	87	25%	0.245	44%	0.442	C	S	.	.	H	α-helix	trans	-99.6	-16.3	-173	60.6	0	0	0	0	113.3	F123 I124 V129 A166	F123-T127 HydrophobicContact CD1-CG2 4.26Å; F123-T127 HydrophobicContact CD2-CG2 4.42Å; F123-T127 HydrophobicContact CE1-CG2 3.9Å; F123-T127 HydrophobicContact CE2-CG2 4.09Å; F123-T127 HydrophobicContact CZ-CG2 3.82Å; F123-T127 WeakPolarHBondContact O-CB 3.35Å; F123-T127 WeakPolarHBondContact O-CG2 3.39Å; F123-T127 PolarHBondContact O-N 2.75Å; F123-T127 PolarHBondContact O-OG1 2.94Å; I124-T127 PolarHBondContact O-N 3.38Å; T127-V129 PolarHBondContact O-N 3.05Å; T127-A166 HydrophobicContact CG2-CB 3.93Å
128	N	84.6	Confident	75.5	Confident	140 Å²	140	84.2 Å²	84.2	75%	0.749	45%	0.451	S	S	*	.			trans	53.6	32.3	-175.4	-158.7	34.2	0	0	0	112.5	I124	I124-N128 WeakPolarHBondContact O-CA 3Å; I124-N128 PolarHBondContact O-N 2.91Å
129	V	85.2	Confident	72.8	Confident	16 Å²	16	81.9 Å²	81.9	10%	0.097	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-94.3	134.7	174.3	-175.5	0	0	0	0	108.4	T127 A166 L170	T127-V129 PolarHBondContact O-N 3.05Å; V129-A166 HydrophobicContact CG2-CB 3.75Å; V129-L170 HydrophobicContact CG1-CD2 4.31Å
130	T	77	Confident	70.2	Confident	115 Å²	115	83.9 Å²	83.9	71%	0.706	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-85.2	132	177.3	51	0	0	0	0	109.9
131	S	69.9	Low	67.4	Low	11 Å²	11	91.2 Å²	91.2	8%	0.077	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-67.5	140.5	169.1	176.2	0	0	0	0	109.5	R120 R133 D134 E174	R120-S131 PolarHBondContact NH2-OG 2.84Å; S131-R133 PolarHBondContact OG-N 3.49Å; S131-D134 WeakPolarHBondContact CB-OD1 3.49Å; S131-E174 WeakPolarHBondContact CB-OE1 3.41Å; S131-E174 VanDerWaalsContact OG-CD 3.22Å; S131-E174 PolarHBondContact OG-OE1 3.4Å; S131-E174 PolarHBondContact OG-OE2 3.04Å
132	T	63.5	Low	64.8	Low	125 Å²	125	92 Å²	92	77%	0.767	52%	0.52	S	S	*	.	S	Bend	trans	-81.3	-4.5	171.2	52.4	0	0	0	0	112
133	R	60.4	Low	62.1	Low	75 Å²	75	95.8 Å²	95.8	28%	0.283	54%	0.539	S	S	.	.			trans	-119.1	20.9	-168	-60.2	174.1	103.1	136.1	-7.4	113.9	S131 S135 E178	S131-R133 PolarHBondContact OG-N 3.49Å; R133-S135 PolarHBondContact O-N 3.1Å; R133-E178 IonicContact CZ-OE2 3.48Å; R133-E178 IonicContact NH2-OE2 3.61Å; R133-E178 PolarHBondContact NH2-OE2 3.13Å
134	D	54.2	Low	59.1	Low	95 Å²	95	102.6 Å²	102.6	51%	0.508	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-3.3	-171.6	-83.5	-26.9	0	0	0	116.9	R120 S131	R120-D134 IonicContact NH2-OD1 3.4Å; S131-D134 WeakPolarHBondContact CB-OD1 3.49Å
135	S	47.3	Very low	56.6	Low	115 Å²	115	106 Å²	106	80%	0.804	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-16.9	179.6	69.3	0	0	0	0	115.2	R133	R133-S135 PolarHBondContact O-N 3.1Å
136	R	52.9	Low	54	Low	166 Å²	166	107.2 Å²	107.2	63%	0.626	61%	0.611	S	S	*	*	S	Bend	trans	-110	-13.5	-175.2	-77.4	-169.1	-78.7	166.7	4.4	116.2	E178	R136-E178 IonicContact CZ-OE1 3.64Å; R136-E178 IonicContact NH1-OE1 3.46Å; R136-E178 PolarHBondContact NH1-OE1 3.05Å; R136-E178 IonicContact NH2-OE1 2.79Å; R136-E178 PolarHBondContact NH2-OE1 3.2Å; R136-E178 IonicContact NH2-OE2 3.72Å
137	F	50.5	Low	51.2	Low	53 Å²	53	108.5 Å²	108.5	23%	0.232	61%	0.613	C	S	.	*	S	Bend	trans	-112.3	-1.8	-167.5	-74.7	-72.2	0	0	0	117.3
138	G	34.1	Very low	48.6	Very low	61 Å²	61	114.2 Å²	114.2	63%	0.629	64%	0.642	S	S	*	*			trans	72.2	128.4	170.9	0	0	0	0	0	116
139	A	34.1	Very low	46.1	Very low	89 Å²	89	111 Å²	111	74%	0.736	64%	0.642	S	S	*	*			trans	80.5	134.9	170.8	0	0	0	0	0	114.8
140	V	36.8	Very low	43.5	Very low	115 Å²	115	117.9 Å²	117.9	70%	0.697	68%	0.678	S	S	*	*			cis	-157.5	149.3	22.9	174.8	0	0	0	0	108.3
141	Q	32.1	Very low	41.4	Very low	175 Å²	175	117.8 Å²	117.8	82%	0.818	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-66.2	143.7	172.8	-73.1	-167.2	1.8	0	0	112.4	I143	Q141-I143 PolarHBondContact O-N 3.33Å
142	P	36.1	Very low	39.7	Very low	123 Å²	123	123 Å²	123	80%	0.799	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-73	121.2	175	28	-28.2	0	0	0	110.4	Q144	P142-Q144 PolarHBondContact O-N 2.9Å
143	I	34.7	Very low	38.4	Very low	146 Å²	146	122.2 Å²	122.2	75%	0.749	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-58.2	121.5	171.9	-68.4	171.2	0	0	0	109.1	Q141 S145	Q141-I143 PolarHBondContact O-N 3.33Å; I143-S145 PolarHBondContact O-N 2.92Å
144	Q	31.7	Very low	37	Very low	190 Å²	190	127.4 Å²	127.4	89%	0.888	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.7	117.8	166.5	-76.1	173.2	-14.3	0	0	109.6	P142	P142-Q144 PolarHBondContact O-N 2.9Å
145	S	35.9	Very low	36.1	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	76%	0.763	S	S	*	*			trans	-115.2	117.5	158.3	56.6	0	0	0	0	108.9	I143	I143-S145 PolarHBondContact O-N 2.92Å
146	T	34	Very low	35.4	Very low	138 Å²	138	128 Å²	128	85%	0.847	75%	0.752	S	S	*	*			trans	-59.4	156.7	179.9	43.1	0	0	0	0	114.5
147	E	32.5	Very low	34.8	Very low	177 Å²	177	126.9 Å²	126.9	83%	0.827	77%	0.768	S	S	*	*			trans	-49.6	141.3	-177.4	-58.5	167.5	147	0	0	116
148	D	32.9	Very low	34.8	Very low	161 Å²	161	128 Å²	128	86%	0.861	78%	0.782	S	S	*	*				146.8	130.8	117.4	-84.8	-28.2	0	0	0	114.4
149	G	31.5	Very low	35.7	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	77%	0.773	S	S	*	*			trans	112.5	91.7	145.5	0	0	0	0	0	119.1
150	N	31.4	Very low	37.3	Very low	159 Å²	159	125 Å²	125	85%	0.85	76%	0.76	S	S	*	*			trans	34.6	117.1	137.4	-91.6	-11.5	0	0	0	119.9
151	S	34	Very low	39.2	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	75%	0.754	S	S	*	*				164.6	138.6	103.6	-69	0	0	0	0	112.4
152	S	34.1	Very low	41.4	Very low	120 Å²	120	121.8 Å²	121.8	84%	0.839	74%	0.741	S	S	*	*			trans	-42.7	136.3	179.7	56.5	0	0	0	0	117.5
153	S	35.7	Very low	43.7	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	73%	0.73	S	S	*	*			trans	-160.1	101.4	136.7	47.5	0	0	0	0	112.6	L155	S153-L155 PolarHBondContact O-N 2.99Å
154	H	31.6	Very low	46	Very low	183 Å²	183	119.3 Å²	119.3	85%	0.847	72%	0.716	S	S	*	*			trans	-6	103.1	142.3	-173.5	-66	0	0	0	117.1
155	L	34.5	Very low	48.7	Very low	168 Å²	168	113.2 Å²	113.2	88%	0.88	69%	0.691	S	S	*	*			trans	-144.1	101.7	157.1	-117.4	107	0	0	0	112.1	S153	S153-L155 PolarHBondContact O-N 2.99Å
156	G	33.3	Very low	51.2	Low	55 Å²	55	108.4 Å²	108.4	57%	0.567	66%	0.659	S	S	*	*			trans	70.9	114.3	130.6	0	0	0	0	0	119.1	S158 G159	G156-S158 PolarHBondContact O-N 3.1Å; G156-G159 PolarHBondContact O-N 2.96Å
157	C	38.5	Very low	53.7	Low	142 Å²	142	104.3 Å²	104.3	96%	0.959	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	8	169.8	-142.8	0	0	0	0	116.9
158	S	50.5	Low	56.4	Low	76 Å²	76	101 Å²	101	53%	0.531	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-21.3	-179.1	-178.1	0	0	0	0	113.4	G156 G160 N162	G156-S158 PolarHBondContact O-N 3.1Å; S158-G160 VanDerWaalsContact C-N 3.31Å; S158-G160 PolarHBondContact O-N 2.94Å; S158-N162 PolarHBondContact O-N 3.4Å
159	G	54.4	Low	59.1	Low	43 Å²	43	96.6 Å²	96.6	44%	0.443	60%	0.599	S	S	.	*	H	α-helix	trans	-70.3	-23.3	-178.9	0	0	0	0	0	114.7	G156 K163	G156-G159 PolarHBondContact O-N 2.96Å; G159-K163 WeakPolarHBondContact O-CG 3.38Å; G159-K163 PolarHBondContact O-N 3Å
160	G	66.7	Low	62	Low	45 Å²	45	93.2 Å²	93.2	46%	0.464	56%	0.564	S	S	.	*	H	α-helix	trans	-72.6	-49.5	177.5	0	0	0	0	0	112.5	S158 N162 K163 I164	S158-G160 VanDerWaalsContact C-N 3.31Å; S158-G160 PolarHBondContact O-N 2.94Å; G160-N162 VanDerWaalsContact C-N 3.34Å; G160-N162 PolarHBondContact O-N 3.39Å; G160-K163 PolarHBondContact O-N 3.12Å; G160-I164 WeakPolarHBondContact O-CG1 3.49Å; G160-I164 PolarHBondContact O-N 3.44Å; G160-I164 VanDerWaalsContact O-N 3.08Å
161	Q	76.1	Confident	64.6	Low	119 Å²	119	90.7 Å²	90.7	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-61.5	-42.9	179.3	-167.4	65.3	27.4	0	0	111.6	K163 I164 T165	Q161-K163 VanDerWaalsContact C-N 3.29Å; Q161-K163 PolarHBondContact O-N 3.14Å; Q161-I164 PolarHBondContact O-N 3.32Å; Q161-T165 PolarHBondContact O-N 2.91Å; Q161-T165 PolarHBondContact O-OG1 2.69Å
162	N	80.3	Confident	67.2	Low	103 Å²	103	91 Å²	91	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-63.1	-35	179.1	-67.9	-6.7	0	0	0	112.5	S158 G160 A166	S158-N162 PolarHBondContact O-N 3.4Å; G160-N162 VanDerWaalsContact C-N 3.34Å; G160-N162 PolarHBondContact O-N 3.39Å; N162-A166 WeakPolarHBondContact O-CB 3.46Å; N162-A166 PolarHBondContact O-N 3.46Å
163	K	82.8	Confident	69.9	Low	133 Å²	133	87.1 Å²	87.1	58%	0.578	51%	0.505	S	S	*	.	H	α-helix	trans	-71	-37.8	175.2	-78.3	-173.6	175.8	-167.3	0	112.5	G159 G160 Q161 A166 S167	G159-K163 WeakPolarHBondContact O-CG 3.38Å; G159-K163 PolarHBondContact O-N 3Å; G160-K163 PolarHBondContact O-N 3.12Å; Q161-K163 VanDerWaalsContact C-N 3.29Å; Q161-K163 PolarHBondContact O-N 3.14Å; K163-A166 PolarHBondContact O-N 3.23Å; K163-S167 WeakPolarHBondContact O-CB 3.26Å; K163-S167 PolarHBondContact O-N 2.96Å
164	I	84	Confident	72.5	Confident	85 Å²	85	82.1 Å²	82.1	44%	0.436	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-53.2	175.6	-65.7	165.4	0	0	0	109.5	G160 Q161 A166 S167 E168	G160-I164 WeakPolarHBondContact O-CG1 3.49Å; G160-I164 PolarHBondContact O-N 3.44Å; G160-I164 VanDerWaalsContact O-N 3.08Å; Q161-I164 PolarHBondContact O-N 3.32Å; I164-A166 VanDerWaalsContact C-N 3.3Å; I164-A166 PolarHBondContact O-N 2.81Å; I164-S167 WeakPolarHBondContact O-CA 3.45Å; I164-S167 WeakPolarHBondContact O-CB 3.46Å; I164-S167 PolarHBondContact O-N 3.44Å; I164-E168 HydrophobicContact CG2-CG 4.47Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.37Å
165	T	87.1	Confident	75.1	Confident	62 Å²	62	80 Å²	80	38%	0.38	45%	0.454	S	S	.	.	H	α-helix	trans	-59.5	-39.6	177.8	-57.6	0	0	0	0	112.2	Q161 S167 E168 T169	Q161-T165 PolarHBondContact O-N 2.91Å; Q161-T165 PolarHBondContact O-OG1 2.69Å; T165-S167 VanDerWaalsContact C-N 3.33Å; T165-S167 PolarHBondContact O-N 3.49Å; T165-E168 PolarHBondContact O-N 3.39Å; T165-T169 VanDerWaalsContact O-CB 3.32Å; T165-T169 WeakPolarHBondContact O-CB 3.49Å; T165-T169 PolarHBondContact O-N 3.48Å; T165-T169 PolarHBondContact O-OG1 2.87Å
166	A	89.5	Confident	77.6	Confident	12 Å²	12	74.5 Å²	74.5	10%	0.099	43%	0.429	C	S	.	.	H	α-helix	trans	-64.6	-36.6	175.5	0	0	0	0	0	112.5	F123 T127 V129 N162 K163 I164 L170	F123-A166 WeakPolarHBondContact CE1-O 3.44Å; F123-A166 HydrophobicContact CZ-CB 4.26Å; T127-A166 HydrophobicContact CG2-CB 3.93Å; V129-A166 HydrophobicContact CG2-CB 3.75Å; N162-A166 WeakPolarHBondContact O-CB 3.46Å; N162-A166 PolarHBondContact O-N 3.46Å; K163-A166 PolarHBondContact O-N 3.23Å; I164-A166 VanDerWaalsContact C-N 3.3Å; I164-A166 PolarHBondContact O-N 2.81Å; A166-L170 WeakPolarHBondContact O-CB 2.58Å; A166-L170 PolarHBondContact O-N 2.94Å
167	S	87	Confident	80	Confident	51 Å²	51	72 Å²	72	36%	0.357	40%	0.403	S	S	.	.	H	α-helix	trans	-67.9	-46.4	175	-166.3	0	0	0	0	112.4	K163 I164 T165 T169 L170 E171	K163-S167 WeakPolarHBondContact O-CB 3.26Å; K163-S167 PolarHBondContact O-N 2.96Å; I164-S167 WeakPolarHBondContact O-CA 3.45Å; I164-S167 WeakPolarHBondContact O-CB 3.46Å; I164-S167 PolarHBondContact O-N 3.44Å; T165-S167 VanDerWaalsContact C-N 3.33Å; T165-S167 PolarHBondContact O-N 3.49Å; S167-T169 VanDerWaalsContact C-N 3.32Å; S167-T169 PolarHBondContact O-N 3.18Å; S167-L170 PolarHBondContact O-N 2.89Å; S167-E171 PolarHBondContact O-N 2.74Å
168	E	87.8	Confident	82.1	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-43.7	175.8	-68.8	168.6	168.5	0	0	110.8	I164 T165 L170 E171 E172	I164-E168 HydrophobicContact CG2-CG 4.47Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.37Å; T165-E168 PolarHBondContact O-N 3.39Å; E168-L170 VanDerWaalsContact C-N 3.35Å; E168-L170 PolarHBondContact O-N 3.41Å; E168-E171 PolarHBondContact O-N 2.95Å; E168-E172 WeakPolarHBondContact O-CG 2.88Å; E168-E172 PolarHBondContact O-N 2.76Å
169	T	91.1	Very high	83.4	Confident	67 Å²	67	70.5 Å²	70.5	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-37.8	177.6	-53.4	0	0	0	0	112.1	F123 T165 S167 L173	F123-T169 HydrophobicContact CE2-CG2 4.11Å; F123-T169 HydrophobicContact CZ-CG2 4Å; T165-T169 VanDerWaalsContact O-CB 3.32Å; T165-T169 WeakPolarHBondContact O-CB 3.49Å; T165-T169 PolarHBondContact O-N 3.48Å; T165-T169 PolarHBondContact O-OG1 2.87Å; S167-T169 VanDerWaalsContact C-N 3.32Å; S167-T169 PolarHBondContact O-N 3.18Å; T169-L173 WeakPolarHBondContact O-CB 3.23Å; T169-L173 PolarHBondContact O-N 3.17Å
170	L	91.3	Very high	84.5	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-41.6	176.4	-178.9	59.5	0	0	0	111.3	R120 F123 I124 V129 A166 S167 E168 L173 E174	R120-L170 HydrophobicContact CG-CD1 4.13Å; F123-L170 HydrophobicContact CD1-CB 4.32Å; F123-L170 HydrophobicContact CD1-CD1 4.05Å; F123-L170 HydrophobicContact CE1-CB 3.89Å; F123-L170 HydrophobicContact CE1-CD1 4.48Å; I124-L170 HydrophobicContact CD1-CD1 4.32Å; I124-L170 HydrophobicContact CG1-CD1 3.97Å; I124-L170 HydrophobicContact CG1-CD2 4.07Å; V129-L170 HydrophobicContact CG1-CD2 4.31Å; A166-L170 WeakPolarHBondContact O-CB 2.58Å; A166-L170 PolarHBondContact O-N 2.94Å; S167-L170 PolarHBondContact O-N 2.89Å; E168-L170 VanDerWaalsContact C-N 3.35Å; E168-L170 PolarHBondContact O-N 3.41Å; L170-L173 PolarHBondContact O-N 3.03Å; L170-E174 HydrophobicContact CD1-CG 4.24Å; L170-E174 HydrophobicContact CG-CG 4.5Å; L170-E174 WeakPolarHBondContact O-CB 3.22Å; L170-E174 VanDerWaalsContact O-CG 3.31Å; L170-E174 WeakPolarHBondContact O-CG 3.23Å; L170-E174 PolarHBondContact O-N 3.43Å
171	E	86.8	Confident	84.9	Confident	105 Å²	105	71 Å²	71	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-44.8	178.2	-174.1	170.9	-167	0	0	111.8	S167 E168 E174 W175	S167-E171 PolarHBondContact O-N 2.74Å; E168-E171 PolarHBondContact O-N 2.95Å; E171-E174 PolarHBondContact O-N 3.03Å; E171-W175 WeakPolarHBondContact O-CB 3.43Å; E171-W175 PolarHBondContact O-N 3.43Å
172	E	88	Confident	84.7	Confident	122 Å²	122	70 Å²	70	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-61.1	-42.7	173.7	-74.1	-68.2	159.7	0	0	112.1	E168 W175 C176	E168-E172 WeakPolarHBondContact O-CG 2.88Å; E168-E172 PolarHBondContact O-N 2.76Å; E172-W175 PolarHBondContact O-N 3.15Å; E172-C176 WeakPolarHBondContact O-CB 3.12Å; E172-C176 PolarHBondContact O-N 2.89Å; E172-C176 PolarHBondContact O-SG 3.06Å
173	L	91	Very high	84.1	Confident	38 Å²	38	68.2 Å²	68.2	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-42.3	177.1	178.2	62.3	0	0	0	112	R120 T169 L170 C176 L177	R120-L173 HydrophobicContact CB-CD2 3.94Å; R120-L173 HydrophobicContact CG-CD2 4.38Å; T169-L173 WeakPolarHBondContact O-CB 3.23Å; T169-L173 PolarHBondContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 3.03Å; L173-C176 PolarHBondContact O-N 3.13Å; L173-L177 HydrophobicContact CG-CD1 4.41Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 3.01Å
174	E	89.3	Confident	83	Confident	3 Å²	3	66 Å²	66	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-40.6	176.9	-75.6	-178.6	168	0	0	112	R120 S131 L170 E171 L177 E178	R120-E174 IonicContact CZ-OE1 2.8Å; R120-E174 IonicContact NE-OE1 3.74Å; R120-E174 PolarHBondContact NE-OE1 3.47Å; R120-E174 IonicContact NH2-OE1 3.19Å; R120-E174 PolarHBondContact NH2-OE1 3.32Å; S131-E174 WeakPolarHBondContact CB-OE1 3.41Å; S131-E174 VanDerWaalsContact OG-CD 3.22Å; S131-E174 PolarHBondContact OG-OE1 3.4Å; S131-E174 PolarHBondContact OG-OE2 3.04Å; L170-E174 HydrophobicContact CD1-CG 4.24Å; L170-E174 HydrophobicContact CG-CG 4.5Å; L170-E174 WeakPolarHBondContact O-CB 3.22Å; L170-E174 VanDerWaalsContact O-CG 3.31Å; L170-E174 WeakPolarHBondContact O-CG 3.23Å; L170-E174 PolarHBondContact O-N 3.43Å; E171-E174 PolarHBondContact O-N 3.03Å; E174-L177 PolarHBondContact O-N 3.44Å; E174-E178 WeakPolarHBondContact O-CB 3.28Å; E174-E178 PolarHBondContact O-N 3.39Å
175	W	86.2	Confident	81.6	Confident	139 Å²	139	67.6 Å²	67.6	53%	0.527	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-44.2	172.6	179.6	88.9	0	0	0	111.4	E171 E172 L177 E178 R179	E171-W175 WeakPolarHBondContact O-CB 3.43Å; E171-W175 PolarHBondContact O-N 3.43Å; E172-W175 PolarHBondContact O-N 3.15Å; W175-L177 PolarHBondContact O-N 3.49Å; W175-E178 PolarHBondContact O-N 3.17Å; W175-R179 WeakPolarHBondContact O-CB 3.21Å; W175-R179 PolarHBondContact O-N 2.66Å
176	C	87.5	Confident	80.3	Confident	53 Å²	53	70.7 Å²	70.7	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-43.1	174.7	-73	0	0	0	0	112	E172 L173 R179 L180	E172-C176 WeakPolarHBondContact O-CB 3.12Å; E172-C176 PolarHBondContact O-N 2.89Å; E172-C176 PolarHBondContact O-SG 3.06Å; L173-C176 PolarHBondContact O-N 3.13Å; C176-R179 PolarHBondContact O-N 3.48Å; C176-L180 WeakPolarHBondContact O-CB 3.49Å; C176-L180 VanDerWaalsContact O-CG 3.26Å; C176-L180 WeakPolarHBondContact O-CG 3.21Å; C176-L180 PolarHBondContact O-N 3.09Å
177	L	84.9	Confident	79.2	Confident	2 Å²	2	80 Å²	80	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-45.4	177.2	-80	171.1	0	0	0	111.9	L113 L116 R117 R120 L173 E174 W175 R179 L180 E181	L113-L177 HydrophobicContact CD2-CD2 4.33Å; L116-L177 HydrophobicContact CB-CD2 3.66Å; L116-L177 HydrophobicContact CD1-CD2 4.4Å; R117-L177 HydrophobicContact CG-CD2 4.4Å; R120-L177 HydrophobicContact CB-CD1 4.04Å; R120-L177 HydrophobicContact CG-CD1 4.41Å; L173-L177 HydrophobicContact CG-CD1 4.41Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 3.01Å; E174-L177 PolarHBondContact O-N 3.44Å; W175-L177 PolarHBondContact O-N 3.49Å; L177-R179 VanDerWaalsContact C-N 3.28Å; L177-R179 PolarHBondContact O-N 3.36Å; L177-L180 PolarHBondContact O-N 2.76Å; L177-E181 WeakPolarHBondContact O-CB 3.28Å; L177-E181 WeakPolarHBondContact O-CG 3.5Å; L177-E181 PolarHBondContact O-N 3.35Å
178	E	81.5	Confident	78.4	Confident	39 Å²	39	80.4 Å²	80.4	18%	0.182	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-39.6	174.9	-177.2	166.8	-150	0	0	110.7	R133 R136 E174 W175 N182	R133-E178 IonicContact CZ-OE2 3.48Å; R133-E178 IonicContact NH2-OE2 3.61Å; R133-E178 PolarHBondContact NH2-OE2 3.13Å; R136-E178 IonicContact CZ-OE1 3.64Å; R136-E178 IonicContact NH1-OE1 3.46Å; R136-E178 PolarHBondContact NH1-OE1 3.05Å; R136-E178 IonicContact NH2-OE1 2.79Å; R136-E178 PolarHBondContact NH2-OE1 3.2Å; R136-E178 IonicContact NH2-OE2 3.72Å; E174-E178 WeakPolarHBondContact O-CB 3.28Å; E174-E178 PolarHBondContact O-N 3.39Å; W175-E178 PolarHBondContact O-N 3.17Å; E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 VanDerWaalsContact O-CG 3.27Å; E178-N182 PolarHBondContact O-N 3.42Å; E178-N182 VanDerWaalsContact O-N 3.08Å; E178-N182 PolarHBondContact O-ND2 3.46Å
179	R	77.5	Confident	77.5	Confident	147 Å²	147	76.2 Å²	76.2	56%	0.555	37%	0.368	S	S	*	.	H	α-helix	trans	-68.3	-43.3	176.7	-164	65.9	-177.6	162	1.6	112.5	W175 C176 L177 N182 I183	W175-R179 WeakPolarHBondContact O-CB 3.21Å; W175-R179 PolarHBondContact O-N 2.66Å; C176-R179 PolarHBondContact O-N 3.48Å; L177-R179 VanDerWaalsContact C-N 3.28Å; L177-R179 PolarHBondContact O-N 3.36Å; R179-N182 PolarHBondContact O-N 3.04Å; R179-I183 HydrophobicContact CG-CD1 4.14Å; R179-I183 WeakPolarHBondContact O-CD1 3.42Å; R179-I183 VanDerWaalsContact O-CG1 3.24Å; R179-I183 WeakPolarHBondContact O-CG1 3.31Å; R179-I183 PolarHBondContact O-N 3.13Å
180	L	79.2	Confident	76.7	Confident	49 Å²	49	76.2 Å²	76.2	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.3	-73.5	169.4	0	0	0	111.3	F109 L113 L116 C176 L177 N182 I183 Q184	F109-L180 HydrophobicContact CE2-CD2 4.09Å; F109-L180 HydrophobicContact CZ-CB 4.15Å; F109-L180 HydrophobicContact CZ-CD2 4.35Å; F109-L180 VanDerWaalsContact CZ-O 3.22Å; F109-L180 WeakPolarHBondContact CZ-O 3.41Å; L113-L180 HydrophobicContact CD2-CB 3.74Å; L113-L180 HydrophobicContact CD2-CD1 4.38Å; L116-L180 HydrophobicContact CD1-CD1 3.6Å; C176-L180 WeakPolarHBondContact O-CB 3.49Å; C176-L180 VanDerWaalsContact O-CG 3.26Å; C176-L180 WeakPolarHBondContact O-CG 3.21Å; C176-L180 PolarHBondContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 2.76Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.28Å; L180-I183 PolarHBondContact O-N 2.97Å; L180-Q184 PolarHBondContact O-N 3.43Å
181	E	74.2	Confident	75.8	Confident	49 Å²	49	80.3 Å²	80.3	23%	0.229	39%	0.393	C	S	.	.	H	α-helix	trans	-62.1	-38.9	176.3	-73.2	175.7	-170.2	0	0	112	L113 R117 L177 Q184	L113-E181 HydrophobicContact CD1-CG 4.34Å; L113-E181 HydrophobicContact CD2-CG 4.24Å; R117-E181 IonicContact CZ-OE1 3.25Å; R117-E181 VanDerWaalsContact CZ-OE1 3.26Å; R117-E181 IonicContact NE-OE1 3.66Å; R117-E181 PolarHBondContact NE-OE1 2.99Å; R117-E181 IonicContact NH2-OE1 3.64Å; R117-E181 PolarHBondContact NH2-OE1 2.95Å; R117-E181 IonicContact NH2-OE2 3.91Å; L177-E181 WeakPolarHBondContact O-CB 3.28Å; L177-E181 WeakPolarHBondContact O-CG 3.5Å; L177-E181 PolarHBondContact O-N 3.35Å; E181-Q184 WeakPolarHBondContact O-CB 3.46Å; E181-Q184 PolarHBondContact O-N 3.02Å
182	N	72	Confident	75.1	Confident	99 Å²	99	78.9 Å²	78.9	53%	0.529	39%	0.387	S	S	.	.	H	α-helix	trans	-73.4	-25.7	176.1	-71.2	-31.9	0	0	0	113.5	E178 R179 L180 Q184	E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 VanDerWaalsContact O-CG 3.27Å; E178-N182 PolarHBondContact O-N 3.42Å; E178-N182 VanDerWaalsContact O-N 3.08Å; E178-N182 PolarHBondContact O-ND2 3.46Å; R179-N182 PolarHBondContact O-N 3.04Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.28Å; N182-Q184 PolarHBondContact O-N 2.97Å
183	I	67.7	Low	74.4	Confident	65 Å²	65	73.6 Å²	73.6	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-68.2	-17	172.4	-74.4	164.1	0	0	0	111.3	R179 L180 T185 H186	R179-I183 HydrophobicContact CG-CD1 4.14Å; R179-I183 WeakPolarHBondContact O-CD1 3.42Å; R179-I183 VanDerWaalsContact O-CG1 3.24Å; R179-I183 WeakPolarHBondContact O-CG1 3.31Å; R179-I183 PolarHBondContact O-N 3.13Å; L180-I183 PolarHBondContact O-N 2.97Å; I183-T185 PolarHBondContact O-N 3.1Å; I183-H186 PolarHBondContact O-N 2.78Å
184	Q	59	Low	73.7	Confident	87 Å²	87	74 Å²	74	41%	0.407	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.2	-169.8	-164.3	166.2	-15.3	0	0	115.3	F109 L180 E181 N182 V189	F109-Q184 HydrophobicContact CD1-CG 4.03Å; F109-Q184 HydrophobicContact CE1-CB 3.88Å; F109-Q184 HydrophobicContact CE1-CG 3.8Å; L180-Q184 PolarHBondContact O-N 3.43Å; E181-Q184 WeakPolarHBondContact O-CB 3.46Å; E181-Q184 PolarHBondContact O-N 3.02Å; N182-Q184 PolarHBondContact O-N 2.97Å; Q184-V189 HydrophobicContact CG-CG2 4.45Å
185	T	54.8	Low	73.1	Confident	119 Å²	119	75.6 Å²	75.6	73%	0.73	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.2	-177.4	54.5	0	0	0	0	114.3	I183	I183-T185 PolarHBondContact O-N 3.1Å
186	H	59.6	Low	72.5	Confident	126 Å²	126	71.6 Å²	71.6	58%	0.583	37%	0.368	S	S	*	.	S	Bend	trans	-101.8	159.6	-172.6	-68.8	-81.1	0	0	0	114.2	I183 S188 V189	I183-H186 PolarHBondContact O-N 2.78Å; H186-S188 PolarHBondContact O-N 3.13Å; H186-V189 PolarHBondContact O-N 2.85Å; H186-V189 VanDerWaalsContact O-N 3.09Å
187	R	66.3	Low	72.1	Confident	208 Å²	208	73.4 Å²	73.4	79%	0.785	37%	0.37	S	S	*	.	H	α-helix	trans	-45.7	-30.3	177.8	-147.8	177.7	-155.2	-155.1	6.3	113.4	V189 S190 D191	R187-V189 PolarHBondContact O-N 3.16Å; R187-S190 CarbonylContact O-C 3.25Å; R187-S190 WeakPolarHBondContact O-CA 3.39Å; R187-S190 WeakPolarHBondContact O-CB 3.5Å; R187-S190 PolarHBondContact O-N 3.06Å; R187-S190 VanDerWaalsContact O-N 3.13Å; R187-D191 WeakPolarHBondContact O-CB 3.48Å; R187-D191 PolarHBondContact O-N 3.38Å
188	S	70.8	Confident	71.9	Confident	60 Å²	60	76 Å²	76	42%	0.42	38%	0.381	S	S	.	.	H	α-helix	trans	-56.2	-38.8	178.2	57.1	0	0	0	0	114.7	H186 D191 M192	H186-S188 PolarHBondContact O-N 3.13Å; S188-D191 PolarHBondContact O-N 3.07Å; S188-M192 PolarHBondContact O-N 2.93Å
189	V	70.1	Confident	71.8	Confident	20 Å²	20	80.7 Å²	80.7	12%	0.121	40%	0.401	C	S	.	.	H	α-helix	trans	-72.2	-40.5	176.7	175.2	0	0	0	0	111	F109 Q184 H186 R187 D191 M192 A193	F109-V189 HydrophobicContact CB-CG1 3.86Å; F109-V189 HydrophobicContact CB-CG2 4.41Å; F109-V189 HydrophobicContact CD1-CG1 3.96Å; F109-V189 HydrophobicContact CD1-CG2 3.72Å; F109-V189 HydrophobicContact CD2-CG2 4.23Å; F109-V189 HydrophobicContact CE1-CG2 3.99Å; F109-V189 HydrophobicContact CE2-CG2 4.49Å; F109-V189 HydrophobicContact CG-CG1 4.07Å; F109-V189 HydrophobicContact CG-CG2 3.85Å; F109-V189 HydrophobicContact CZ-CG2 4.37Å; Q184-V189 HydrophobicContact CG-CG2 4.45Å; H186-V189 PolarHBondContact O-N 2.85Å; H186-V189 VanDerWaalsContact O-N 3.09Å; R187-V189 PolarHBondContact O-N 3.16Å; V189-D191 VanDerWaalsContact C-N 3.31Å; V189-D191 PolarHBondContact O-N 3.09Å; V189-M192 PolarHBondContact O-N 2.89Å; V189-A193 PolarHBondContact O-N 2.99Å
190	S	72.4	Confident	71.9	Confident	68 Å²	68	77.1 Å²	77.1	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-39	173.9	-172.5	0	0	0	0	111.5	R187 A193 S194	R187-S190 CarbonylContact O-C 3.25Å; R187-S190 WeakPolarHBondContact O-CA 3.39Å; R187-S190 WeakPolarHBondContact O-CB 3.5Å; R187-S190 PolarHBondContact O-N 3.06Å; R187-S190 VanDerWaalsContact O-N 3.13Å; S190-A193 PolarHBondContact O-N 3.22Å; S190-S194 WeakPolarHBondContact O-CB 3.37Å; S190-S194 PolarHBondContact O-N 3.02Å; S190-S194 PolarHBondContact O-OG 3.4Å
191	D	72.6	Confident	72.1	Confident	88 Å²	88	77.7 Å²	77.7	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-67.2	-41.5	177.5	-69.5	-28	0	0	0	111.4	R187 S188 V189 A193 S194 S195	R187-D191 WeakPolarHBondContact O-CB 3.48Å; R187-D191 PolarHBondContact O-N 3.38Å; S188-D191 PolarHBondContact O-N 3.07Å; V189-D191 VanDerWaalsContact C-N 3.31Å; V189-D191 PolarHBondContact O-N 3.09Å; D191-A193 PolarHBondContact O-N 3.46Å; D191-S194 PolarHBondContact O-N 3.34Å; D191-S195 VanDerWaalsContact O-CB 3.24Å; D191-S195 WeakPolarHBondContact O-CB 3.44Å; D191-S195 PolarHBondContact O-N 2.96Å
192	M	72	Confident	72.3	Confident	76 Å²	76	78.4 Å²	78.4	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175	-162.9	-167	-69.2	0	0	111.7	P108 F109 I112 S188 V189 K196	P108-M192 HydrophobicContact CB-CG 4.2Å; P108-M192 HydrophobicContact CB-SD 3.85Å; P108-M192 HydrophobicContact CG-CB 4.29Å; P108-M192 HydrophobicContact CG-CG 3.61Å; P108-M192 WeakPolarHBondContact CG-O 3.29Å; P108-M192 HydrophobicContact CG-SD 3.8Å; F109-M192 HydrophobicContact CB-SD 4.05Å; F109-M192 HydrophobicContact CD2-CE 4.18Å; I112-M192 HydrophobicContact CD1-SD 4.33Å; S188-M192 PolarHBondContact O-N 2.93Å; V189-M192 PolarHBondContact O-N 2.89Å; M192-K196 PolarHBondContact O-N 3.01Å; M192-K196 VanDerWaalsContact O-N 3.08Å
193	A	74.7	Confident	72.8	Confident	10 Å²	10	80.3 Å²	80.3	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-65.8	-49.1	175.6	0	0	0	0	0	111.5	T107 V189 S190 D191 S195 K196 F197	T107-A193 HydrophobicContact CG2-CB 4.16Å; V189-A193 PolarHBondContact O-N 2.99Å; S190-A193 PolarHBondContact O-N 3.22Å; D191-A193 PolarHBondContact O-N 3.46Å; A193-S195 PolarHBondContact O-N 3.47Å; A193-K196 PolarHBondContact O-N 3.1Å; A193-F197 HydrophobicContact CB-CD2 4.46Å; A193-F197 HydrophobicContact CB-CE2 4.06Å; A193-F197 WeakPolarHBondContact O-CD2 3.43Å; A193-F197 VanDerWaalsContact O-CG 3.29Å; A193-F197 WeakPolarHBondContact O-CG 3.46Å; A193-F197 PolarHBondContact O-N 3.47Å
194	S	76.7	Confident	73.6	Confident	46 Å²	46	82 Å²	82	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-58.6	-45.5	177.2	-69.6	0	0	0	0	111.4	S190 D191 K196 F197 K198	S190-S194 WeakPolarHBondContact O-CB 3.37Å; S190-S194 PolarHBondContact O-N 3.02Å; S190-S194 PolarHBondContact O-OG 3.4Å; D191-S194 PolarHBondContact O-N 3.34Å; S194-K196 PolarHBondContact O-N 3.41Å; S194-F197 PolarHBondContact O-N 2.89Å; S194-K198 WeakPolarHBondContact O-CB 3.23Å; S194-K198 WeakPolarHBondContact O-CG 3.22Å; S194-K198 PolarHBondContact O-N 3.43Å
195	S	74.9	Confident	74.7	Confident	37 Å²	37	78.4 Å²	78.4	26%	0.259	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-44.3	175.5	-176.1	0	0	0	0	111.8	D191 A193 F197 K198 K199	D191-S195 VanDerWaalsContact O-CB 3.24Å; D191-S195 WeakPolarHBondContact O-CB 3.44Å; D191-S195 PolarHBondContact O-N 2.96Å; A193-S195 PolarHBondContact O-N 3.47Å; S195-F197 PolarHBondContact O-N 3.21Å; S195-K198 PolarHBondContact O-N 3.34Å; S195-K199 WeakPolarHBondContact O-CG 3.46Å; S195-K199 PolarHBondContact O-N 3.05Å
196	K	74.6	Confident	75.8	Confident	56 Å²	56	76 Å²	76	24%	0.243	38%	0.382	C	S	.	.	H	α-helix	trans	-62.1	-42.9	175	-172.1	-175.2	-174.8	-178.3	0	111.8	V106 P108 Q111 M192 A193 S194 K199 M200	V106-K196 PolarHBondContact O-NZ 2.88Å; P108-K196 HydrophobicContact CB-CD 3.92Å; P108-K196 HydrophobicContact CG-CB 4.01Å; P108-K196 HydrophobicContact CG-CD 3.71Å; P108-K196 HydrophobicContact CG-CG 4.47Å; Q111-K196 VanDerWaalsContact CD-NZ 3.33Å; M192-K196 PolarHBondContact O-N 3.01Å; M192-K196 VanDerWaalsContact O-N 3.08Å; A193-K196 PolarHBondContact O-N 3.1Å; S194-K196 PolarHBondContact O-N 3.41Å; K196-K199 PolarHBondContact O-N 2.94Å; K196-M200 WeakPolarHBondContact O-CB 3.33Å; K196-M200 PolarHBondContact O-N 3.39Å
197	F	79.7	Confident	76.9	Confident	91 Å²	91	75 Å²	75	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-42.6	177.8	-65.5	-41.7	0	0	0	112.4	V106 A193 S194 S195 K199 M200 L201	V106-F197 HydrophobicContact CG1-CE1 3.58Å; V106-F197 HydrophobicContact CG1-CZ 3.89Å; A193-F197 HydrophobicContact CB-CD2 4.46Å; A193-F197 HydrophobicContact CB-CE2 4.06Å; A193-F197 WeakPolarHBondContact O-CD2 3.43Å; A193-F197 VanDerWaalsContact O-CG 3.29Å; A193-F197 WeakPolarHBondContact O-CG 3.46Å; A193-F197 PolarHBondContact O-N 3.47Å; S194-F197 PolarHBondContact O-N 2.89Å; S195-F197 PolarHBondContact O-N 3.21Å; F197-K199 PolarHBondContact O-N 2.76Å; F197-M200 PolarHBondContact O-N 3.39Å; F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.48Å; F197-L201 PolarHBondContact O-N 2.8Å
198	K	79.4	Confident	77.5	Confident	57 Å²	57	69.5 Å²	69.5	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-46.2	174.2	-70.9	177.2	177	176.9	0	111.3	S194 S195 L201 N202 L227 D228	S194-K198 WeakPolarHBondContact O-CB 3.23Å; S194-K198 WeakPolarHBondContact O-CG 3.22Å; S194-K198 PolarHBondContact O-N 3.43Å; S195-K198 PolarHBondContact O-N 3.34Å; K198-L201 PolarHBondContact O-N 3.19Å; K198-N202 WeakPolarHBondContact O-CB 3.17Å; K198-N202 PolarHBondContact O-N 2.96Å; K198-N202 PolarHBondContact O-ND2 2.85Å; K198-L227 HydrophobicContact CB-CD2 3.98Å; K198-L227 HydrophobicContact CG-CD2 3.68Å; K198-D228 IonicContact NZ-OD2 3.66Å; K198-D228 PolarHBondContact NZ-OD2 3.1Å
199	K	78.8	Confident	77.9	Confident	136 Å²	136	67.8 Å²	67.8	59%	0.591	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-44	176.2	-75.6	179.4	-179.8	176.4	0	112.6	S195 K196 F197 N202 K203	S195-K199 WeakPolarHBondContact O-CG 3.46Å; S195-K199 PolarHBondContact O-N 3.05Å; K196-K199 PolarHBondContact O-N 2.94Å; F197-K199 PolarHBondContact O-N 2.76Å; K199-N202 PolarHBondContact O-N 3.44Å; K199-K203 WeakPolarHBondContact O-CB 3.49Å; K199-K203 PolarHBondContact O-N 2.77Å
200	M	80	Confident	78.4	Confident	72 Å²	72	73.8 Å²	73.8	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.7	-171.5	-179	-61.3	0	0	111.1	F71 K196 F197 K203 E204	F71-M200 HydrophobicContact CE1-SD 3.98Å; F71-M200 HydrophobicContact CZ-SD 4.12Å; K196-M200 WeakPolarHBondContact O-CB 3.33Å; K196-M200 PolarHBondContact O-N 3.39Å; F197-M200 PolarHBondContact O-N 3.39Å; M200-K203 PolarHBondContact O-N 3.38Å; M200-E204 PolarHBondContact O-N 3.49Å; M200-E204 VanDerWaalsContact O-N 3.14Å
201	L	83.4	Confident	78.6	Confident	62 Å²	62	74.3 Å²	74.3	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-47.6	177.3	-175.1	59.4	0	0	0	111.2	F197 K198 K203 E204 L205 I222 L227	F197-L201 VanDerWaalsContact O-CB 3.3Å; F197-L201 WeakPolarHBondContact O-CB 3.48Å; F197-L201 PolarHBondContact O-N 2.8Å; K198-L201 PolarHBondContact O-N 3.19Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.01Å; L201-E204 PolarHBondContact O-N 3.44Å; L201-L205 HydrophobicContact CD1-CD1 4.02Å; L201-L205 HydrophobicContact CD1-CD2 4.39Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.39Å; L201-L205 HydrophobicContact CG-CD1 3.76Å; L201-L205 HydrophobicContact CG-CG 4.11Å; L201-L205 VanDerWaalsContact O-CB 3.32Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.27Å; L201-L205 PolarHBondContact O-N 2.8Å; L201-I222 HydrophobicContact CD1-CG2 4.5Å; L201-I222 HydrophobicContact CD2-CG2 4.12Å; L201-L227 HydrophobicContact CD2-CD2 3.95Å; L201-L227 HydrophobicContact CD2-CG 4.39Å
202	N	79.3	Confident	79	Confident	63 Å²	63	71.7 Å²	71.7	34%	0.337	38%	0.382	S	S	.	.	H	α-helix	trans	-56.1	-40.5	176	-84.6	-30.6	0	0	0	112.7	K198 K199 S206 L227	K198-N202 WeakPolarHBondContact O-CB 3.17Å; K198-N202 PolarHBondContact O-N 2.96Å; K198-N202 PolarHBondContact O-ND2 2.85Å; K199-N202 PolarHBondContact O-N 3.44Å; N202-S206 WeakPolarHBondContact O-CB 3.45Å; N202-S206 PolarHBondContact O-N 3.36Å; N202-S206 PolarHBondContact O-OG 3.49Å; N202-L227 WeakPolarHBondContact OD1-CD1 3.49Å
203	K	82.3	Confident	79.5	Confident	140 Å²	140	76.2 Å²	76.2	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-65.9	-42.7	178.2	-173.3	-174.1	174.1	-175.2	0	112.3	K199 M200 L201 Q207	K199-K203 WeakPolarHBondContact O-CB 3.49Å; K199-K203 PolarHBondContact O-N 2.77Å; M200-K203 PolarHBondContact O-N 3.38Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.01Å; K203-Q207 WeakPolarHBondContact O-CG 3.25Å; K203-Q207 PolarHBondContact O-N 3.26Å; K203-Q207 PolarHBondContact O-NE2 3.08Å; K203-Q207 VanDerWaalsContact O-NE2 3.09Å
204	E	83.1	Confident	80.1	Confident	101 Å²	101	79.5 Å²	79.5	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-70	-41.3	176.9	-68.5	-60.4	134.1	0	0	111.3	M200 L201 S206 Q207 F208	M200-E204 PolarHBondContact O-N 3.49Å; M200-E204 VanDerWaalsContact O-N 3.14Å; L201-E204 PolarHBondContact O-N 3.44Å; E204-S206 VanDerWaalsContact C-N 3.33Å; E204-S206 PolarHBondContact O-N 3.08Å; E204-Q207 PolarHBondContact O-N 3.48Å; E204-F208 VanDerWaalsContact O-CB 3.3Å; E204-F208 WeakPolarHBondContact O-CB 3.39Å; E204-F208 PolarHBondContact O-N 3.38Å
205	L	82.6	Confident	80.4	Confident	10 Å²	10	77.4 Å²	77.4	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-67.1	-32.3	177.9	-71.6	-176.8	0	0	0	113	L201 F208 A209 S219 I222 C223	L201-L205 HydrophobicContact CD1-CD1 4.02Å; L201-L205 HydrophobicContact CD1-CD2 4.39Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.39Å; L201-L205 HydrophobicContact CG-CD1 3.76Å; L201-L205 HydrophobicContact CG-CG 4.11Å; L201-L205 VanDerWaalsContact O-CB 3.32Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.27Å; L201-L205 PolarHBondContact O-N 2.8Å; L205-F208 PolarHBondContact O-N 3.34Å; L205-A209 WeakPolarHBondContact O-CB 3.44Å; L205-A209 PolarHBondContact O-N 3.49Å; L205-S219 WeakPolarHBondContact CB-OG 3.23Å; L205-S219 PolarHBondContact O-OG 2.95Å; L205-I222 HydrophobicContact CD1-CB 3.97Å; L205-I222 HydrophobicContact CD1-CG2 3.6Å; L205-I222 HydrophobicContact CD2-CB 4.23Å; L205-I222 HydrophobicContact CD2-CD1 3.8Å; L205-I222 HydrophobicContact CD2-CG2 4.22Å; L205-I222 HydrophobicContact CG-CG2 4.5Å; L205-C223 WeakPolarHBondContact CD1-SG 3.28Å
206	S	79.4	Confident	81	Confident	70 Å²	70	81.2 Å²	81.2	49%	0.49	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-47.9	172.9	-59.3	0	0	0	0	110.8	N202 E204 F208 A209 D210	N202-S206 WeakPolarHBondContact O-CB 3.45Å; N202-S206 PolarHBondContact O-N 3.36Å; N202-S206 PolarHBondContact O-OG 3.49Å; E204-S206 VanDerWaalsContact C-N 3.33Å; E204-S206 PolarHBondContact O-N 3.08Å; S206-F208 VanDerWaalsContact C-N 3.27Å; S206-F208 PolarHBondContact O-N 3.01Å; S206-A209 PolarHBondContact O-N 2.91Å; S206-D210 PolarHBondContact O-N 2.99Å
207	Q	80.9	Confident	81.6	Confident	104 Å²	104	84.9 Å²	84.9	49%	0.486	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-34.5	174.5	-71.9	170.9	71.7	0	0	112.5	K203 E204	K203-Q207 WeakPolarHBondContact O-CG 3.25Å; K203-Q207 PolarHBondContact O-N 3.26Å; K203-Q207 PolarHBondContact O-NE2 3.08Å; K203-Q207 VanDerWaalsContact O-NE2 3.09Å; E204-Q207 PolarHBondContact O-N 3.48Å
208	F	80.3	Confident	81.9	Confident	92 Å²	92	84.1 Å²	84.1	40%	0.404	44%	0.44	S	S	.	.	H	α-helix	trans	-74.9	-34.3	178.3	-170.7	-109.4	0	0	0	112.8	E204 L205 S206 D210 A211 G215 I218	E204-F208 VanDerWaalsContact O-CB 3.3Å; E204-F208 WeakPolarHBondContact O-CB 3.39Å; E204-F208 PolarHBondContact O-N 3.38Å; L205-F208 PolarHBondContact O-N 3.34Å; S206-F208 VanDerWaalsContact C-N 3.27Å; S206-F208 PolarHBondContact O-N 3.01Å; F208-D210 PolarHBondContact O-N 3.43Å; F208-A211 WeakPolarHBondContact O-CB 3.49Å; F208-A211 PolarHBondContact O-N 3.02Å; F208-A211 VanDerWaalsContact O-N 3.1Å; F208-G215 VanDerWaalsContact CE1-CA 3.49Å; F208-I218 HydrophobicContact CD1-CG2 4.47Å; F208-I218 HydrophobicContact CE1-CB 3.9Å; F208-I218 HydrophobicContact CE1-CD1 4.01Å; F208-I218 HydrophobicContact CE1-CG2 3.83Å; F208-I218 HydrophobicContact CZ-CD1 4.27Å
209	A	78.7	Confident	82.2	Confident	25 Å²	25	82.1 Å²	82.1	21%	0.207	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-32.7	174.8	0	0	0	0	0	112	L205 S206 A211 K216	L205-A209 WeakPolarHBondContact O-CB 3.44Å; L205-A209 PolarHBondContact O-N 3.49Å; S206-A209 PolarHBondContact O-N 2.91Å; A209-A211 PolarHBondContact O-N 3.45Å; A209-K216 HydrophobicContact CB-CB 4.5Å
210	D	80.1	Confident	82.5	Confident	145 Å²	145	80.6 Å²	80.6	78%	0.775	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.6	175.8	-67	-22.3	0	0	0	113.2	S206 F208 G212	S206-D210 PolarHBondContact O-N 2.99Å; F208-D210 PolarHBondContact O-N 3.43Å; D210-G212 VanDerWaalsContact C-N 3.26Å; D210-G212 PolarHBondContact O-N 2.69Å
211	A	77.5	Confident	82.9	Confident	79 Å²	79	83.9 Å²	83.9	65%	0.653	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-3	-177.3	0	0	0	0	0	114.5	F208 A209	F208-A211 WeakPolarHBondContact O-CB 3.49Å; F208-A211 PolarHBondContact O-N 3.02Å; F208-A211 VanDerWaalsContact O-N 3.1Å; A209-A211 PolarHBondContact O-N 3.45Å
212	G	81.6	Confident	83.1	Confident	33 Å²	33	82.8 Å²	82.8	34%	0.34	43%	0.431	S	S	.	.			trans	142.2	173.6	173.7	0	0	0	0	0	114.1	D210 S214 G215 K216	D210-G212 VanDerWaalsContact C-N 3.26Å; D210-G212 PolarHBondContact O-N 2.69Å; G212-S214 VanDerWaalsContact C-N 3.28Å; G212-S214 PolarHBondContact O-N 2.95Å; G212-G215 WeakPolarHBondContact O-CA 3.48Å; G212-G215 PolarHBondContact O-N 3.17Å; G212-K216 PolarHBondContact O-N 2.95Å
213	Q	82.1	Confident	83.3	Confident	171 Å²	171	81.6 Å²	81.6	80%	0.799	43%	0.427	S	S	*	.	H	α-helix	trans	-58.1	-36.6	-177.7	-71.9	-172.1	-11.7	0	0	113.5	G215 K216 Q217	Q213-G215 VanDerWaalsContact C-N 3.35Å; Q213-K216 PolarHBondContact O-N 3.49Å; Q213-Q217 WeakPolarHBondContact O-CG 3.37Å; Q213-Q217 PolarHBondContact O-N 3.46Å; Q213-Q217 VanDerWaalsContact O-N 3.1Å
214	S	86	Confident	83.3	Confident	80 Å²	80	79.1 Å²	79.1	56%	0.559	43%	0.428	S	S	*	.	H	α-helix	trans	-66	-38.6	173.7	55.8	0	0	0	0	112	G212 K216 Q217 I218	G212-S214 VanDerWaalsContact C-N 3.28Å; G212-S214 PolarHBondContact O-N 2.95Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-Q217 PolarHBondContact O-N 3.31Å; S214-I218 WeakPolarHBondContact O-CD1 3.45Å; S214-I218 VanDerWaalsContact O-CG1 3.26Å; S214-I218 WeakPolarHBondContact O-CG1 3.49Å; S214-I218 PolarHBondContact O-N 3.09Å; S214-I218 VanDerWaalsContact O-N 3.07Å
215	G	84.5	Confident	83.5	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.01	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-42.2	175.9	0	0	0	0	0	111.5	F208 G212 Q213 I218 S219	F208-G215 VanDerWaalsContact CE1-CA 3.49Å; G212-G215 WeakPolarHBondContact O-CA 3.48Å; G212-G215 PolarHBondContact O-N 3.17Å; Q213-G215 VanDerWaalsContact C-N 3.35Å; G215-I218 PolarHBondContact O-N 3.33Å; G215-S219 WeakPolarHBondContact O-CB 3.22Å; G215-S219 PolarHBondContact O-N 3.14Å
216	K	86.4	Confident	83.6	Confident	117 Å²	117	83.7 Å²	83.7	51%	0.509	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-48	174.9	-166	-175.4	-175	-160.4	0	112.7	A209 G212 Q213 S214 I218 S219 E220	A209-K216 HydrophobicContact CB-CB 4.5Å; G212-K216 PolarHBondContact O-N 2.95Å; Q213-K216 PolarHBondContact O-N 3.49Å; S214-K216 VanDerWaalsContact C-N 3.32Å; K216-I218 VanDerWaalsContact C-N 3.35Å; K216-I218 PolarHBondContact O-N 2.86Å; K216-S219 WeakPolarHBondContact O-CB 3.24Å; K216-S219 PolarHBondContact O-N 2.86Å; K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.69Å; K216-E220 WeakPolarHBondContact O-CB 3.47Å; K216-E220 WeakPolarHBondContact O-CG 3.37Å; K216-E220 PolarHBondContact O-N 3.15Å
217	Q	87	Confident	83.6	Confident	133 Å²	133	81.4 Å²	81.4	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-61.6	-41.9	179.1	-73.8	177.3	-7.5	0	0	112.6	Q213 S214 E220 Y221	Q213-Q217 WeakPolarHBondContact O-CG 3.37Å; Q213-Q217 PolarHBondContact O-N 3.46Å; Q213-Q217 VanDerWaalsContact O-N 3.1Å; S214-Q217 PolarHBondContact O-N 3.31Å; Q217-E220 PolarHBondContact O-N 3.48Å; Q217-Y221 WeakPolarHBondContact O-CB 3.3Å; Q217-Y221 PolarHBondContact O-N 3.1Å
218	I	87.2	Confident	83.1	Confident	76 Å²	76	81.3 Å²	81.3	39%	0.39	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-42.2	177.1	-67.3	164.9	0	0	0	110.3	F208 S214 G215 K216 Y221 I222	F208-I218 HydrophobicContact CD1-CG2 4.47Å; F208-I218 HydrophobicContact CE1-CB 3.9Å; F208-I218 HydrophobicContact CE1-CD1 4.01Å; F208-I218 HydrophobicContact CE1-CG2 3.83Å; F208-I218 HydrophobicContact CZ-CD1 4.27Å; S214-I218 WeakPolarHBondContact O-CD1 3.45Å; S214-I218 VanDerWaalsContact O-CG1 3.26Å; S214-I218 WeakPolarHBondContact O-CG1 3.49Å; S214-I218 PolarHBondContact O-N 3.09Å; S214-I218 VanDerWaalsContact O-N 3.07Å; G215-I218 PolarHBondContact O-N 3.33Å; K216-I218 VanDerWaalsContact C-N 3.35Å; K216-I218 PolarHBondContact O-N 2.86Å; I218-Y221 PolarHBondContact O-N 3.31Å; I218-I222 HydrophobicContact CG2-CD1 3.66Å; I218-I222 HydrophobicContact CG2-CG1 4.32Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.5Å; I218-I222 PolarHBondContact O-N 3.35Å
219	S	85.9	Confident	82.2	Confident	14 Å²	14	81.5 Å²	81.5	10%	0.098	45%	0.449	C	S	.	.	H	α-helix	trans	-59.4	-47.3	175.6	-178.2	0	0	0	0	111.5	L205 G215 K216 Y221 I222 C223	L205-S219 WeakPolarHBondContact CB-OG 3.23Å; L205-S219 PolarHBondContact O-OG 2.95Å; G215-S219 WeakPolarHBondContact O-CB 3.22Å; G215-S219 PolarHBondContact O-N 3.14Å; K216-S219 WeakPolarHBondContact O-CB 3.24Å; K216-S219 PolarHBondContact O-N 2.86Å; S219-Y221 PolarHBondContact O-N 3.11Å; S219-I222 PolarHBondContact O-N 3.49Å; S219-C223 VanDerWaalsContact O-CB 3.3Å; S219-C223 WeakPolarHBondContact O-CB 3.41Å; S219-C223 PolarHBondContact O-N 3.47Å; S219-C223 PolarHBondContact O-SG 2.81Å
220	E	84.7	Confident	81	Confident	104 Å²	104	87.1 Å²	87.1	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-46.1	175.1	-74.2	172.3	-175.7	0	0	112	K216 Q217 C223 S224	K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.69Å; K216-E220 WeakPolarHBondContact O-CB 3.47Å; K216-E220 WeakPolarHBondContact O-CG 3.37Å; K216-E220 PolarHBondContact O-N 3.15Å; Q217-E220 PolarHBondContact O-N 3.48Å; E220-C223 PolarHBondContact O-N 3.2Å; E220-S224 WeakPolarHBondContact O-CB 3.38Å; E220-S224 PolarHBondContact O-N 3.43Å; E220-S224 PolarHBondContact O-OG 2.97Å
221	Y	87.9	Confident	79.6	Confident	141 Å²	141	86.5 Å²	86.5	55%	0.553	46%	0.462	S	S	*	.	H	α-helix	trans	-61.8	-44.8	177.1	171.2	-104.8	0	0	0	112.7	Q217 I218 S219 S224 T225 F226	Q217-Y221 WeakPolarHBondContact O-CB 3.3Å; Q217-Y221 PolarHBondContact O-N 3.1Å; I218-Y221 PolarHBondContact O-N 3.31Å; S219-Y221 PolarHBondContact O-N 3.11Å; Y221-S224 PolarHBondContact O-N 2.99Å; Y221-S224 PolarHBondContact O-OG 2.86Å; Y221-S224 VanDerWaalsContact O-OG 3.1Å; Y221-T225 WeakPolarHBondContact O-CB 3.29Å; Y221-T225 PolarHBondContact O-N 2.92Å; Y221-T225 VanDerWaalsContact O-N 3.1Å; Y221-T225 PolarHBondContact O-OG1 3.1Å; Y221-F226 HydrophobicContact CE1-CE2 4.47Å
222	I	87.5	Confident	78	Confident	40 Å²	40	89.1 Å²	89.1	21%	0.205	46%	0.464	C	S	.	.	H	α-helix	trans	-66.9	-46.5	-179.7	-66.2	169	0	0	0	109.7	L201 L205 I218 S219 S224 T225 F226	L201-I222 HydrophobicContact CD1-CG2 4.5Å; L201-I222 HydrophobicContact CD2-CG2 4.12Å; L205-I222 HydrophobicContact CD1-CB 3.97Å; L205-I222 HydrophobicContact CD1-CG2 3.6Å; L205-I222 HydrophobicContact CD2-CB 4.23Å; L205-I222 HydrophobicContact CD2-CD1 3.8Å; L205-I222 HydrophobicContact CD2-CG2 4.22Å; L205-I222 HydrophobicContact CG-CG2 4.5Å; I218-I222 HydrophobicContact CG2-CD1 3.66Å; I218-I222 HydrophobicContact CG2-CG1 4.32Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.5Å; I218-I222 PolarHBondContact O-N 3.35Å; S219-I222 PolarHBondContact O-N 3.49Å; I222-S224 PolarHBondContact O-N 3.23Å; I222-T225 PolarHBondContact O-N 3.32Å; I222-F226 HydrophobicContact CB-CD2 4.39Å; I222-F226 HydrophobicContact CG2-CD2 3.93Å; I222-F226 PolarHBondContact O-N 3.25Å
223	C	82.6	Confident	76.4	Confident	37 Å²	37	88.2 Å²	88.2	25%	0.25	45%	0.452	C	S	.	.	H	α-helix	trans	-59.5	-44.1	176.8	-73.8	0	0	0	0	112	L205 S219 E220 T225 L227	L205-C223 WeakPolarHBondContact CD1-SG 3.28Å; S219-C223 VanDerWaalsContact O-CB 3.3Å; S219-C223 WeakPolarHBondContact O-CB 3.41Å; S219-C223 PolarHBondContact O-N 3.47Å; S219-C223 PolarHBondContact O-SG 2.81Å; E220-C223 PolarHBondContact O-N 3.2Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 3.5Å; C223-L227 HydrophobicContact CB-CD1 4.16Å; C223-L227 WeakPolarHBondContact O-CB 3.46Å; C223-L227 PolarHBondContact O-N 2.89Å
224	S	83.8	Confident	74.4	Confident	89 Å²	89	82.3 Å²	82.3	62%	0.622	43%	0.428	S	S	*	.	H	α-helix	trans	-71.7	-23.1	-178.9	67.6	0	0	0	0	114	E220 Y221 I222	E220-S224 WeakPolarHBondContact O-CB 3.38Å; E220-S224 PolarHBondContact O-N 3.43Å; E220-S224 PolarHBondContact O-OG 2.97Å; Y221-S224 PolarHBondContact O-N 2.99Å; Y221-S224 PolarHBondContact O-OG 2.86Å; Y221-S224 VanDerWaalsContact O-OG 3.1Å; I222-S224 PolarHBondContact O-N 3.23Å
225	T	86.5	Confident	72.6	Confident	70 Å²	70	81 Å²	81	43%	0.429	42%	0.415	S	S	.	.	H	α-helix	trans	-100.7	-39.5	-172	-51.4	0	0	0	0	112.7	Y221 I222 C223	Y221-T225 WeakPolarHBondContact O-CB 3.29Å; Y221-T225 PolarHBondContact O-N 2.92Å; Y221-T225 VanDerWaalsContact O-N 3.1Å; Y221-T225 PolarHBondContact O-OG1 3.1Å; I222-T225 PolarHBondContact O-N 3.32Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 3.5Å
226	F	85.9	Confident	70.6	Confident	137 Å²	137	85.7 Å²	85.7	60%	0.601	44%	0.444	S	S	*	.	H	α-helix	trans	-113.2	-6.5	-170.8	-57.8	-77	0	0	0	114.1	Y221 I222	Y221-F226 HydrophobicContact CE1-CE2 4.47Å; I222-F226 HydrophobicContact CB-CD2 4.39Å; I222-F226 HydrophobicContact CG2-CD2 3.93Å; I222-F226 PolarHBondContact O-N 3.25Å
227	L	77.7	Confident	68	Low	21 Å²	21	85 Å²	85	11%	0.11	45%	0.449	C	S	.	.	S	Bend	trans	-112.1	128	176.2	-58.3	177.6	0	0	0	110.6	K198 L201 N202 C223 S229	K198-L227 HydrophobicContact CB-CD2 3.98Å; K198-L227 HydrophobicContact CG-CD2 3.68Å; L201-L227 HydrophobicContact CD2-CD2 3.95Å; L201-L227 HydrophobicContact CD2-CG 4.39Å; N202-L227 WeakPolarHBondContact OD1-CD1 3.49Å; C223-L227 HydrophobicContact CB-CD1 4.16Å; C223-L227 WeakPolarHBondContact O-CB 3.46Å; C223-L227 PolarHBondContact O-N 2.89Å; L227-S229 PolarHBondContact O-N 3.32Å
228	D	70.8	Confident	65.1	Low	102 Å²	102	83.2 Å²	83.2	55%	0.545	45%	0.448	S	S	.	.			trans	-65.1	129.9	171	-61.6	-47	0	0	0	110.1	K198 K230	K198-D228 IonicContact NZ-OD2 3.66Å; K198-D228 PolarHBondContact NZ-OD2 3.1Å; D228-K230 HydrophobicContact CB-CB 4.49Å; D228-K230 HydrophobicContact CB-CG 4.24Å; D228-K230 PolarHBondContact O-N 2.98Å
229	S	62.5	Low	62.2	Low	96 Å²	96	84.5 Å²	84.5	67%	0.671	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-73	11.9	176.4	-59.4	0	0	0	0	113.9	L227 E231 N232	L227-S229 PolarHBondContact O-N 3.32Å; S229-E231 PolarHBondContact O-N 3.02Å; S229-E231 VanDerWaalsContact O-N 3.12Å; S229-N232 PolarHBondContact O-N 3.34Å
230	K	53.6	Low	59.4	Low	144 Å²	144	92.7 Å²	92.7	63%	0.626	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-63.4	-23	-168.8	-73.3	-172.5	178.4	-173.3	0	113.7	D228 R611	D228-K230 HydrophobicContact CB-CB 4.49Å; D228-K230 HydrophobicContact CB-CG 4.24Å; D228-K230 PolarHBondContact O-N 2.98Å; K230-R611 VanDerWaalsContact CA-NH2 3.33Å; K230-R611 PolarHBondContact O-NH1 3.24Å; K230-R611 PolarHBondContact O-NH2 2.92Å
231	E	50.6	Low	56.5	Low	132 Å²	132	93.6 Å²	93.6	62%	0.617	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-91.8	-7.8	-174	-70.3	-177	167.1	0	0	115.7	S229	S229-E231 PolarHBondContact O-N 3.02Å; S229-E231 VanDerWaalsContact O-N 3.12Å
232	N	42.5	Very low	53.6	Low	133 Å²	133	91.1 Å²	91.1	71%	0.711	52%	0.52	S	S	*	.			trans	-110.2	96.6	178.2	-69.2	-45.2	0	0	0	110	S229 P234	S229-N232 PolarHBondContact O-N 3.34Å; N232-P234 VanDerWaalsContact O-CD 3.23Å; N232-P234 WeakPolarHBondContact O-CD 3.49Å
233	D	48.3	Very low	50.6	Low	14 Å²	14	95.8 Å²	95.8	8%	0.075	55%	0.551	C	S	.	*			trans	-59.3	117.1	161.8	178.8	13	0	0	0	107.6	L235 T236 Y652	D233-L235 PolarHBondContact O-N 3.44Å; D233-L235 PolarHBondContact OD1-N 3.26Å; D233-T236 HydrophobicContact CB-CG2 4.38Å; D233-T236 PolarHBondContact O-OG1 2.85Å; D233-T236 VanDerWaalsContact O-OG1 3.05Å; D233-Y652 HydrophobicContact CB-CD2 4.2Å; D233-Y652 HydrophobicContact CB-CG 4.22Å
234	P	40.8	Very low	48	Very low	47 Å²	47	100.7 Å²	100.7	31%	0.305	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	56.1	171.8	39.3	-37.8	0	0	0	107.6	N232 K604	N232-P234 VanDerWaalsContact O-CD 3.23Å; N232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-K604 HydrophobicContact CB-CD 4.38Å; P234-K604 HydrophobicContact CB-CG 3.94Å; P234-K604 HydrophobicContact CG-CG 4.46Å; P234-K604 VanDerWaalsContact O-CD 3.23Å; P234-K604 WeakPolarHBondContact O-CD 3.34Å; P234-K604 WeakPolarHBondContact O-CE 3.49Å; P234-K604 WeakPolarHBondContact O-CG 3.33Å
235	L	48.4	Very low	45.2	Very low	52 Å²	52	101.1 Å²	101.1	27%	0.272	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.4	-26.6	164.8	-77.6	168.9	0	0	0	110.4	D233 T237 T238 L537 Q605	D233-L235 PolarHBondContact O-N 3.44Å; D233-L235 PolarHBondContact OD1-N 3.26Å; L235-T237 PolarHBondContact O-N 2.99Å; L235-T238 PolarHBondContact O-OG1 3.45Å; L235-L537 HydrophobicContact CD1-CD2 3.61Å; L235-Q605 HydrophobicContact CD2-CG 4.14Å
236	T	42.7	Very low	42.4	Very low	101 Å²	101	105.7 Å²	105.7	62%	0.62	59%	0.592	S	S	*	*	S	Bend	trans	-70.2	-8.4	172.8	52.2	0	0	0	0	114.3	D233 T238	D233-T236 HydrophobicContact CB-CG2 4.38Å; D233-T236 PolarHBondContact O-OG1 2.85Å; D233-T236 VanDerWaalsContact O-OG1 3.05Å; T236-T238 PolarHBondContact O-N 3.42Å
237	T	30.2	Very low	39.7	Very low	101 Å²	101	106.6 Å²	106.6	62%	0.62	60%	0.603	S	S	*	*	S	Bend	trans	-96	63.5	169.9	45.9	0	0	0	0	111.4	L235 K604	L235-T237 PolarHBondContact O-N 2.99Å; T237-K604 PolarHBondContact O-NZ 2.91Å; T237-K604 PolarHBondContact OG1-NZ 3.36Å
238	T	27.6	Very low	37.3	Very low	97 Å²	97	112.9 Å²	112.9	60%	0.595	64%	0.637	S	S	*	*	S	Bend	trans	-149.4	110.7	170.2	-13.5	0	0	0	0	110.5	L235 T236	L235-T238 PolarHBondContact O-OG1 3.45Å; T236-T238 PolarHBondContact O-N 3.42Å
239	S	26.1	Very low	35.4	Very low	102 Å²	102	114.9 Å²	114.9	71%	0.713	65%	0.653	S	S	*	*	S	Bend	trans	66.4	66.4	162.2	44.9	0	0	0	0	120.6
240	H	26.6	Very low	33.7	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.866	66%	0.664	S	S	*	*			trans	-134	71.9	133	-87.1	-71.7	0	0	0	109.4	S242	H240-S242 PolarHBondContact O-N 2.94Å; H240-S242 VanDerWaalsContact O-N 3.14Å
241	S	23.9	Very low	32.5	Very low	122 Å²	122	115.9 Å²	115.9	85%	0.853	67%	0.667	S	S	*	*			trans	-78.6	76.4	155.3	-71.2	0	0	0	0	107.8	V243	S241-V243 PolarHBondContact O-N 2.94Å
242	S	26.8	Very low	31.3	Very low	89 Å²	89	116.9 Å²	116.9	62%	0.622	68%	0.675	S	S	*	*			trans	-70.5	113.3	155.9	42.4	0	0	0	0	107	H240 I244	H240-S242 PolarHBondContact O-N 2.94Å; H240-S242 VanDerWaalsContact O-N 3.14Å; S242-I244 PolarHBondContact O-N 3.28Å
243	V	24.8	Very low	30.7	Very low	139 Å²	139	118.5 Å²	118.5	84%	0.842	68%	0.68	S	S	*	*			trans	-57.4	98.1	168.8	176.6	0	0	0	0	107.7	S241	S241-V243 PolarHBondContact O-N 2.94Å
244	I	26.9	Very low	29.7	Very low	140 Å²	140	122.5 Å²	122.5	72%	0.718	71%	0.709	S	S	*	*			trans	-110.2	91.3	160	-59	-178.3	0	0	0	106.6	S242 H246	S242-I244 PolarHBondContact O-N 3.28Å; I244-H246 PolarHBondContact O-N 3.36Å
245	S	26.9	Very low	29	Very low	98 Å²	98	128 Å²	128	69%	0.685	74%	0.736	S	S	*	*			trans	-53.4	122.6	171	-152.3	0	0	0	0	109.5	N247	S245-N247 PolarHBondContact O-N 2.93Å
246	H	26.6	Very low	28.1	Very low	166 Å²	166	130.8 Å²	130.8	77%	0.769	76%	0.76	S	S	*	*			trans	-66.1	115.8	171.2	-77.1	29.5	0	0	0	109.4	I244	I244-H246 PolarHBondContact O-N 3.36Å
247	N	30.3	Very low	27.6	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	77%	0.767	S	S	*	*			trans	-124	105.9	153.2	-87.8	-18.4	0	0	0	108.6	S245 T249	S245-N247 PolarHBondContact O-N 2.93Å; N247-T249 PolarHBondContact O-N 2.81Å
248	N	25.9	Very low	27.6	Very low	154 Å²	154	135.4 Å²	135.4	82%	0.824	78%	0.775	S	S	*	*			trans	-57.1	125.4	169.9	-81.7	-32.4	0	0	0	110.8
249	T	30.4	Very low	27.8	Very low	144 Å²	144	139.2 Å²	139.2	88%	0.883	78%	0.784	S	S	*	*			trans	-149.6	126.8	142.7	2.1	0	0	0	0	110.9	N247	N247-T249 PolarHBondContact O-N 2.81Å
250	H	27.2	Very low	28	Very low	194 Å²	194	140.2 Å²	140.2	90%	0.898	78%	0.781	S	S	*	*			trans	-52.8	152.3	178.1	-84	-88.3	0	0	0	115.9
251	G	28.1	Very low	28.1	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	78%	0.775	S	S	*	*			trans	150.6	81	159.6	0	0	0	0	0	111.9
252	I	26.8	Very low	28.6	Very low	153 Å²	153	141.5 Å²	141.5	79%	0.785	78%	0.779	S	S	*	*				67.6	120.7	94.3	-61.9	177.2	0	0	0	113.9
253	M	29.3	Very low	28.7	Very low	168 Å²	168	143.2 Å²	143.2	83%	0.828	78%	0.78	S	S	*	*			trans	96.3	101.1	151.5	-82.7	169.8	145.8	0	0	122
254	S	27.1	Very low	29.1	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	78%	0.782	S	S	*	*				66.4	111.9	110.7	-46.6	0	0	0	0	122.2
255	N	27.5	Very low	29.3	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	78%	0.784	S	S	*	*				48.6	121.7	121	-79.2	1.5	0	0	0	121.2
256	S	28.6	Very low	29.8	Very low	110 Å²	110	148 Å²	148	77%	0.769	79%	0.789	S	S	*	*				116.4	147.4	118	-155.5	0	0	0	0	118.2
257	I	33	Very low	30.3	Very low	150 Å²	150	145.7 Å²	145.7	77%	0.769	78%	0.782	S	S	*	*			trans	110.3	106.3	143.8	-52.8	-174	0	0	0	117.9
258	N	30	Very low	30.4	Very low	149 Å²	149	145.5 Å²	145.5	80%	0.797	78%	0.781	S	S	*	*			trans	-43	146	149	-73.1	-38.3	0	0	0	112.9
259	K	30.1	Very low	31.1	Very low	177 Å²	177	143.2 Å²	143.2	77%	0.77	78%	0.775	S	S	*	*				168.5	138.4	124.1	-98.9	176.3	163.6	-173.5	0	115.7
260	D	31.2	Very low	31.2	Very low	122 Å²	122	141.5 Å²	141.5	65%	0.652	77%	0.769	S	S	*	*			trans	75.8	106.5	134.6	-56.3	-21.1	0	0	0	121.6
261	I	29.5	Very low	31.4	Very low	146 Å²	146	140.2 Å²	140.2	75%	0.749	76%	0.763	S	S	*	*				10.1	120.5	122.2	-55.9	170.4	0	0	0	115.4
262	M	33.6	Very low	31.5	Very low	191 Å²	191	144.1 Å²	144.1	94%	0.941	77%	0.765	S	S	*	*			trans	-146.3	126.9	136.7	-89.5	-154	173.3	0	0	112.4
263	I	29.2	Very low	31.9	Very low	125 Å²	125	143.4 Å²	143.4	64%	0.641	76%	0.763	S	S	*	*			trans	-67.5	143.1	168.9	-65.6	159.2	0	0	0	109.3
264	N	34	Very low	31.8	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	76%	0.76	S	S	*	*			trans	-157.6	119.1	138.8	-97.9	-22.8	0	0	0	112.1
265	N	30.5	Very low	31.8	Very low	139 Å²	139	143 Å²	143	74%	0.743	77%	0.77	S	S	*	*			trans	-71	146.5	169.1	-71.7	-43.4	0	0	0	111.1
266	H	38	Very low	31.8	Very low	171 Å²	171	141.5 Å²	141.5	79%	0.792	77%	0.767	S	S	*	*			trans	-158.6	108.2	136.7	-111.2	-56.3	0	0	0	111.1
267	D	35.4	Very low	32.2	Very low	118 Å²	118	141.5 Å²	141.5	63%	0.631	77%	0.765	S	S	*	*			trans	61	101	130.1	-62.3	-14	0	0	0	123.3
268	N	32.6	Very low	32.1	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	76%	0.758	S	S	*	*				79	151.2	108.5	-84.8	-20.5	0	0	0	123.1
269	P	40.5	Very low	32.2	Very low	106 Å²	106	138.8 Å²	138.8	69%	0.688	76%	0.759	S	S	*	*			trans	-130.6	-175.6	-137.5	40.6	-20.8	0	0	0	114.1
270	S	32.2	Very low	32.2	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	75%	0.754	S	S	*	*			trans	139.1	142.4	163.1	51.9	0	0	0	0	108.8
271	E	33.4	Very low	32.3	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	76%	0.758	S	S	*	*			cis	-171	147.5	19.8	-128.9	170.3	-161.8	0	0	109.3
272	M	29.7	Very low	32.3	Very low	147 Å²	147	137.3 Å²	137.3	72%	0.724	76%	0.758	S	S	*	*			trans	51.3	115.6	135.3	-91.8	173.5	139.6	0	0	122
273	N	34	Very low	31.9	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	75%	0.751	S	S	*	*				171.5	142.3	85.1	-96.6	-29.6	0	0	0	114.3
274	T	27.9	Very low	31.9	Very low	123 Å²	123	135 Å²	135	76%	0.755	76%	0.761	S	S	*	*			trans	-81.4	154.6	-177.3	43.4	0	0	0	0	115.2
275	C	27.2	Very low	31.4	Very low	134 Å²	134	136.1 Å²	136.1	91%	0.905	76%	0.761	S	S	*	*			trans	-167.7	116	133.4	-99.3	0	0	0	0	113
276	T	27.8	Very low	31.2	Very low	131 Å²	131	134.5 Å²	134.5	80%	0.804	76%	0.76	S	S	*	*			trans	-98	-163.3	158.5	49.6	0	0	0	0	108.9
277	P	36	Very low	30.6	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	76%	0.759	S	S	*	*			cis	-121.3	-170.2	-39.8	23.9	1.4	0	0	0	109.5
278	S	30.8	Very low	30.2	Very low	89 Å²	89	130 Å²	130	62%	0.622	76%	0.763	S	S	*	*				163.3	148.8	68.7	43.7	0	0	0	0	111.9
279	D	32.9	Very low	29.8	Very low	153 Å²	153	129.8 Å²	129.8	82%	0.818	76%	0.759	S	S	*	*			trans	68.5	140.1	145.3	-57.8	-16.3	0	0	0	120.7
280	S	30.4	Very low	29.3	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	77%	0.766	S	S	*	*			cis	178.6	164.9	-0.2	53.8	0	0	0	0	110.3
281	I	32.3	Very low	29	Very low	143 Å²	143	137 Å²	137	73%	0.733	77%	0.767	S	S	*	*			trans	94.2	102.9	151.3	-56.9	175.2	0	0	0	121.4
282	K	29.8	Very low	28.5	Very low	176 Å²	176	138.7 Å²	138.7	77%	0.765	77%	0.773	S	S	*	*				63.9	124.6	127.5	-60.8	-177.7	-175.9	-178	0	124.3
283	N	25.3	Very low	28.3	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	78%	0.777	S	S	*	*			trans	63.2	113.6	134	-60.5	6.3	0	0	0	120.2
284	S	29.1	Very low	27.8	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	78%	0.777	S	S	*	*				167.3	151.2	112.8	44.7	0	0	0	0	111.6
285	E	24.1	Very low	27.8	Very low	189 Å²	189	140 Å²	140	88%	0.883	78%	0.782	S	S	*	*			trans	-49.8	145	-178.7	-59.9	151.3	145.1	0	0	114.3
286	S	26.4	Very low	27.9	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	78%	0.779	S	S	*	*			trans	169.3	116.5	140.5	170.4	0	0	0	0	112.1
287	T	25.5	Very low	27.9	Very low	127 Å²	127	142.1 Å²	142.1	78%	0.779	78%	0.781	S	S	*	*				47.3	93.8	128.7	-25.3	0	0	0	0	117.5
288	G	27.2	Very low	27.4	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	78%	0.784	S	S	*	*			trans	-107.9	82.5	173.8	0	0	0	0	0	112.4
289	M	24.5	Very low	27.3	Very low	148 Å²	148	145.9 Å²	145.9	73%	0.729	80%	0.799	S	S	*	*			trans	-56.2	128	166.6	-109.4	-117.6	53.7	0	0	111.7
290	Y	29.3	Very low	26.8	Very low	217 Å²	217	146.2 Å²	146.2	85%	0.851	80%	0.799	S	S	*	*			trans	-112.4	136.7	161.4	-75.8	-75.9	0	0	0	111.9
291	L	25.1	Very low	26.7	Very low	147 Å²	147	150 Å²	150	77%	0.77	81%	0.81	S	S	*	*			trans	-93.5	108.4	-151.1	-179.5	74.7	0	0	0	110.7
292	F	22.9	Very low	26.4	Very low	204 Å²	204	151.1 Å²	151.1	90%	0.895	81%	0.813	S	S	*	*			trans	-77.7	116.1	157.5	-97.7	-87.2	0	0	0	108.5	S294	F292-S294 PolarHBondContact O-N 3.04Å
293	K	25.7	Very low	26	Very low	189 Å²	189	148.7 Å²	148.7	82%	0.822	81%	0.813	S	S	*	*			trans	-84.5	104.4	173.8	-160.7	175.1	-174.2	179.9	0	108.9
294	S	24.5	Very low	26.1	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	81%	0.813	S	S	*	*			trans	-59.5	140.6	169	-55.4	0	0	0	0	111.9	F292	F292-S294 PolarHBondContact O-N 3.04Å
295	V	27.7	Very low	25.8	Very low	141 Å²	141	147.8 Å²	147.8	86%	0.855	81%	0.808	S	S	*	*			trans	-125.5	113.4	158.1	176.8	0	0	0	0	107.2
296	E	29.7	Very low	26	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	81%	0.808	S	S	*	*			trans	-78.2	153.9	170	-70.7	-167.2	152.4	0	0	111.4
297	P	27.4	Very low	25.9	Very low	131 Å²	131	146.4 Å²	146.4	85%	0.851	81%	0.808	S	S	*	*			trans	-96.5	136.2	176.5	34.8	-27.7	0	0	0	113
298	G	25	Very low	26	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	81%	0.811	S	S	*	*			trans	129.4	104.4	150.9	0	0	0	0	0	116.3
299	E	27.9	Very low	25.9	Very low	203 Å²	203	149.2 Å²	149.2	95%	0.949	81%	0.812	S	S	*	*			trans	-159.2	139.8	140.3	-117	179.8	177.5	0	0	111.8
300	I	23.3	Very low	26.2	Very low	159 Å²	159	150.4 Å²	150.4	82%	0.815	82%	0.82	S	S	*	*			trans	-92.7	125.3	-171.8	-65.3	160.9	0	0	0	109.3
301	I	28.9	Very low	26	Very low	174 Å²	174	145.6 Å²	145.6	89%	0.892	81%	0.813	S	S	*	*			trans	-147	138.9	152.6	-58.8	-173.7	0	0	0	111.3
302	Q	24.2	Very low	26.2	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	81%	0.811	S	S	*	*			trans	-77.4	164.9	-169.3	-66.4	167.4	-48.4	0	0	117.2
303	T	22.9	Very low	26.6	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	81%	0.811	S	S	*	*			trans	76.4	126.2	149.7	12.2	0	0	0	0	116.7
304	T	27.4	Very low	26.9	Very low	128 Å²	128	141.3 Å²	141.3	79%	0.785	81%	0.808	S	S	*	*				-165.6	143.1	54.2	-37.9	0	0	0	0	111.6
305	T	22.8	Very low	27.4	Very low	121 Å²	121	144 Å²	144	74%	0.742	81%	0.814	S	S	*	*			trans	-64.5	142	172.4	24.4	0	0	0	0	115.1
306	T	27	Very low	27.7	Very low	145 Å²	145	140.7 Å²	140.7	89%	0.89	81%	0.809	S	S	*	*			trans	-146.1	120.1	144.1	33.8	0	0	0	0	110.8
307	T	24	Very low	27.9	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	81%	0.81	S	S	*	*			trans	-88.5	141.1	173.6	-50	0	0	0	0	109.6	T309	T307-T309 HydrophobicContact CG2-CG2 4.49Å
308	T	29.4	Very low	28.3	Very low	136 Å²	136	138.6 Å²	138.6	83%	0.834	80%	0.8	S	S	*	*			trans	-133.4	101.8	164.2	-4.4	0	0	0	0	109.5
309	T	24.5	Very low	28.5	Very low	118 Å²	118	140.4 Å²	140.4	72%	0.724	80%	0.796	S	S	*	*			trans	-91.5	135.4	160.7	44.1	0	0	0	0	108.6	T307	T307-T309 HydrophobicContact CG2-CG2 4.49Å
310	L	31.2	Very low	28.8	Very low	172 Å²	172	138.6 Å²	138.6	90%	0.901	79%	0.791	S	S	*	*			trans	-123.9	116	163.4	-76.7	169.7	0	0	0	108.4
311	T	25.2	Very low	29.1	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	78%	0.783	S	S	*	*			trans	-94.1	170	167	48.2	0	0	0	0	110.1
312	D	28.4	Very low	29.4	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	78%	0.784	S	S	*	*			trans	98.6	107.7	162.5	-52.8	-17.6	0	0	0	116.5
313	N	32.6	Very low	29.8	Very low	167 Å²	167	131.4 Å²	131.4	89%	0.893	79%	0.786	S	S	*	*				-174.8	143	99.9	-87	-39.5	0	0	0	113.4
314	I	31.9	Very low	30.4	Very low	151 Å²	151	128.9 Å²	128.9	77%	0.774	79%	0.785	S	S	*	*			trans	-86.9	166.7	179.3	-67.3	167	0	0	0	109.5
315	D	34.7	Very low	30.8	Very low	164 Å²	164	130.1 Å²	130.1	88%	0.877	79%	0.787	S	S	*	*			trans	114.2	130	167.7	-60.8	-26	0	0	0	111.7
316	G	32.6	Very low	31.4	Very low	71 Å²	71	129 Å²	129	73%	0.732	78%	0.784	S	S	*	*			cis	159.8	164.9	12.4	0	0	0	0	0	107.5
317	D	34.7	Very low	31.9	Very low	161 Å²	161	126.9 Å²	126.9	86%	0.861	78%	0.775	S	S	*	*			trans	84.6	139.3	173.5	-87.8	-5.4	0	0	0	119.9
318	T	34.7	Very low	32.5	Very low	104 Å²	104	126.5 Å²	126.5	64%	0.638	78%	0.778	S	S	*	*			cis	-172.9	126.4	-16.7	-103.6	0	0	0	0	109.4
319	T	31	Very low	32.9	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	77%	0.769	S	S	*	*			trans	35.4	155.4	147.9	65.9	0	0	0	0	127.1
320	I	34.1	Very low	33.4	Very low	166 Å²	166	125.7 Å²	125.7	85%	0.851	77%	0.771	S	S	*	*			trans	102.7	116.2	155.6	-50.4	164.2	0	0	0	112.7
321	G	29.6	Very low	33.6	Very low	64 Å²	64	124.1 Å²	124.1	66%	0.66	76%	0.762	S	S	*	*			cis	119	120.6	20.5	0	0	0	0	0	109.3
322	V	35	Very low	34.2	Very low	148 Å²	148	123.4 Å²	123.4	90%	0.897	76%	0.759	S	S	*	*			trans	164.1	146	147	161.8	0	0	0	0	111.4
323	T	32.1	Very low	34.7	Very low	137 Å²	137	125.5 Å²	125.5	84%	0.84	76%	0.764	S	S	*	*			trans	-106.4	163.6	-153	46.3	0	0	0	0	116.3
324	G	36.2	Very low	35	Very low	72 Å²	72	124 Å²	124	74%	0.742	76%	0.762	S	S	*	*			trans	109.8	149.9	144.5	0	0	0	0	0	116.4
325	D	35.1	Very low	34.9	Very low	155 Å²	155	123.6 Å²	123.6	83%	0.829	76%	0.759	S	S	*	*			cis	-172.4	145.7	-18.4	-136.8	-7.6	0	0	0	108
326	S	36.5	Very low	35	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	76%	0.76	S	S	*	*			trans	63.5	130.4	143.5	56.8	0	0	0	0	126.7
327	S	37.2	Very low	34.9	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	76%	0.757	S	S	*	*				89.9	110.5	129.4	67.8	0	0	0	0	121.4
328	S	35.4	Very low	34.8	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	75%	0.754	S	S	*	*				89.1	138.9	94.3	85	0	0	0	0	112.8
329	S	37.6	Very low	34.7	Very low	93 Å²	93	124.3 Å²	124.3	65%	0.65	76%	0.76	S	S	*	*			cis	-176.8	151.7	29.6	50.9	0	0	0	0	111.4
330	N	35.5	Very low	34.5	Very low	143 Å²	143	124.9 Å²	124.9	77%	0.765	76%	0.763	S	S	*	*			trans	56.6	147.3	136.4	-60.7	-15.1	0	0	0	122.7
331	I	36	Very low	34.3	Very low	140 Å²	140	122.6 Å²	122.6	72%	0.718	76%	0.757	S	S	*	*			cis	-173	162.4	-1.5	-99.1	165.1	0	0	0	107
332	P	38.2	Very low	34.3	Very low	100 Å²	100	127.5 Å²	127.5	65%	0.649	77%	0.766	S	S	*	*			trans	-115.5	-170.4	-159.1	39.7	-24.1	0	0	0	116.2
333	H	38.3	Very low	34	Very low	177 Å²	177	123.6 Å²	123.6	82%	0.819	76%	0.755	S	S	*	*			trans	146.1	136	156.1	-75.2	-56.8	0	0	0	109.3
334	T	38.3	Very low	34	Very low	137 Å²	137	122.8 Å²	122.8	84%	0.84	76%	0.755	S	S	*	*			cis	-164.3	155.2	42.5	-52.5	0	0	0	0	111.2
335	I	30.9	Very low	33.7	Very low	141 Å²	141	126 Å²	126	72%	0.723	76%	0.761	S	S	*	*			trans	-86	145.9	-172.8	-68	157.2	0	0	0	113.1
336	N	35	Very low	33.7	Very low	166 Å²	166	124 Å²	124	89%	0.888	75%	0.754	S	S	*	*			trans	-162.2	141.4	134.9	-100	-11.7	0	0	0	113.5
337	S	31.6	Very low	33.3	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	76%	0.762	S	S	*	*			trans	-83.9	147.3	-154.8	-50.9	0	0	0	0	117.4
338	T	33	Very low	33	Very low	132 Å²	132	130.5 Å²	130.5	81%	0.81	77%	0.77	S	S	*	*				-176.1	114.6	117	11.8	0	0	0	0	113
339	T	32.1	Very low	33	Very low	123 Å²	123	134.8 Å²	134.8	76%	0.755	78%	0.775	S	S	*	*			trans	39	102.6	139.1	-19.7	0	0	0	0	120.1
340	V	27.4	Very low	32.7	Very low	124 Å²	124	135.6 Å²	135.6	75%	0.752	78%	0.781	S	S	*	*				64.1	112.6	79.3	-169.8	0	0	0	0	113.1
341	T	30.2	Very low	32.4	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	79%	0.791	S	S	*	*				-171.2	120.3	80	-49.9	0	0	0	0	113.7
342	I	28.3	Very low	32.1	Very low	167 Å²	167	135.7 Å²	135.7	86%	0.856	79%	0.789	S	S	*	*			trans	35.8	121.5	137.1	-46	173.1	0	0	0	121.8
343	G	29.6	Very low	31.8	Very low	65 Å²	65	140 Å²	140	67%	0.67	80%	0.798	S	S	*	*			trans	174.7	109.9	152.8	0	0	0	0	0	111.4
344	S	31	Very low	31.4	Very low	120 Å²	120	139.6 Å²	139.6	84%	0.839	80%	0.801	S	S	*	*			trans	-65	135.2	-169.6	52.3	0	0	0	0	114.1
345	T	31.3	Very low	31	Very low	141 Å²	141	139.2 Å²	139.2	87%	0.865	80%	0.804	S	S	*	*			trans	-128.5	115.4	167.9	-37.4	0	0	0	0	109
346	T	34.5	Very low	31.1	Very low	112 Å²	112	136.9 Å²	136.9	69%	0.687	80%	0.8	S	S	*	*			trans	-93.4	123.9	-180	-50.1	0	0	0	0	109.5
347	M	29	Very low	31	Very low	169 Å²	169	134.1 Å²	134.1	83%	0.833	79%	0.794	S	S	*	*			trans	31.6	106.7	158.5	-68.3	-172.7	-79.3	0	0	119.3
348	N	30.2	Very low	30.9	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	80%	0.8	S	S	*	*			trans	-139.8	107.7	150	-90.4	-26.4	0	0	0	109.2
349	K	35.9	Very low	30.9	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	80%	0.795	S	S	*	*			trans	-146.8	125	164.3	-85.3	-171.7	179.3	175.1	0	110.1
350	S	30.6	Very low	30.7	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	80%	0.8	S	S	*	*			trans	77.3	96.6	151	-55.9	0	0	0	0	118.8
351	L	28.1	Very low	30.6	Very low	186 Å²	186	138.8 Å²	138.8	97%	0.974	81%	0.809	S	S	*	*			trans	-159.2	108	130.1	-104.8	151.1	0	0	0	109.3
352	S	31.6	Very low	30.5	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	81%	0.808	S	S	*	*			trans	-114.7	143.2	173	58.8	0	0	0	0	108.7
353	K	31.4	Very low	30.4	Very low	189 Å²	189	137.7 Å²	137.7	82%	0.822	81%	0.807	S	S	*	*			trans	111.1	127.2	156.6	-62.3	179.5	178.9	-179	0	116.3
354	L	28.6	Very low	30.5	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	82%	0.815	S	S	*	*			trans	103.7	89.4	156.5	-61.8	155.6	0	0	0	116.9
355	S	31	Very low	30.4	Very low	129 Å²	129	146 Å²	146	90%	0.902	81%	0.814	S	S	*	*				-162.3	113.4	121.3	-173.6	0	0	0	0	108.7
356	S	32.9	Very low	30.4	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	81%	0.813	S	S	*	*			trans	-114.5	150.5	-178.4	47.9	0	0	0	0	108.9
357	S	32.8	Very low	30.2	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	82%	0.816	S	S	*	*			trans	84.5	121.8	154.6	-65.4	0	0	0	0	115.1
358	L	30	Very low	30.2	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	82%	0.815	S	S	*	*			cis	-167.8	154.5	29.1	-124.3	84.3	0	0	0	105.6
359	S	31.8	Very low	30.4	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	82%	0.815	S	S	*	*			cis	-164.1	122.3	-15.3	13.3	0	0	0	0	105.4
360	T	27.9	Very low	30.3	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	81%	0.812	S	S	*	*			trans	-87.9	115.2	167.5	10	0	0	0	0	107.8	S362	T360-S362 PolarHBondContact O-N 3.25Å
361	L	25.6	Very low	30.2	Very low	177 Å²	177	142.7 Å²	142.7	93%	0.927	81%	0.809	S	S	*	*			trans	-76.5	104.5	157.7	-87.8	157.7	0	0	0	107
362	S	28.6	Very low	30.4	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	79%	0.794	S	S	*	*			trans	-127.7	103	163.5	-163	0	0	0	0	107.6	T360 K364	T360-S362 PolarHBondContact O-N 3.25Å; S362-K364 PolarHBondContact O-N 3.34Å
363	L	26.6	Very low	30.5	Very low	163 Å²	163	142 Å²	142	85%	0.853	79%	0.793	S	S	*	*			trans	-65	107.3	168.1	-77.1	153.2	0	0	0	108
364	K	30.7	Very low	30.6	Very low	193 Å²	193	139 Å²	139	84%	0.839	79%	0.786	S	S	*	*			trans	-114.9	97.8	163.8	-126.7	174	-175.6	174.7	0	107.4	S362 N366	S362-K364 PolarHBondContact O-N 3.34Å; K364-N366 PolarHBondContact O-N 2.91Å
365	M	28.4	Very low	31.1	Very low	165 Å²	165	136.3 Å²	136.3	81%	0.813	78%	0.777	S	S	*	*			trans	-66.7	124.6	163.6	-74.3	-145.1	177.8	0	0	108.5
366	N	31	Very low	31.3	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	77%	0.769	S	S	*	*			trans	-141.7	90.4	165.5	-138.6	28.4	0	0	0	107.5	K364	K364-N366 PolarHBondContact O-N 2.91Å
367	S	31.1	Very low	31.6	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	77%	0.77	S	S	*	*			trans	-88.7	111.6	173.7	-11.3	0	0	0	0	108.2
368	N	29.9	Very low	31.9	Very low	154 Å²	154	139 Å²	139	82%	0.824	77%	0.766	S	S	*	*			trans	-141.2	98.3	162.4	-104.3	-8.6	0	0	0	107
369	V	33.6	Very low	32.3	Very low	147 Å²	147	137.3 Å²	137.3	89%	0.891	76%	0.758	S	S	*	*			trans	-133.4	124	162.9	178.3	0	0	0	0	108.3
370	N	34.5	Very low	32.7	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	76%	0.756	S	S	*	*			trans	-64	130.2	-179.8	-78.8	-32.7	0	0	0	112.7
371	V	29	Very low	33.3	Very low	117 Å²	117	137.8 Å²	137.8	71%	0.709	75%	0.747	S	S	*	*				25.3	111.3	120	-171.3	0	0	0	0	115.9
372	N	32.3	Very low	34	Very low	123 Å²	123	135.4 Å²	135.4	66%	0.658	74%	0.735	S	S	*	*				-178.1	137	90.4	-132.6	9.7	0	0	0	114.1
373	E	33	Very low	34.7	Very low	146 Å²	146	137 Å²	137	68%	0.682	74%	0.736	S	S	*	*			trans	62.8	116.8	140.6	-81.3	173.3	-172	0	0	123.6
374	N	33.7	Very low	35.3	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	73%	0.728	S	S	*	*				114.2	106.6	121	-79.4	-18.4	0	0	0	119.9
375	T	37.7	Very low	35.9	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	73%	0.731	S	S	*	*				88.6	116.9	128	44.6	0	0	0	0	121.9
376	N	37	Very low	36.2	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	73%	0.726	S	S	*	*				96.3	102.4	128.2	-80.7	-4.3	0	0	0	121.1
377	N	38.4	Very low	36.6	Very low	124 Å²	124	132.9 Å²	132.9	66%	0.663	73%	0.726	S	S	*	*				94.4	123.7	112.9	-87.4	-2.2	0	0	0	121.6
378	N	38.7	Very low	36.5	Very low	126 Å²	126	134.6 Å²	134.6	67%	0.674	73%	0.727	S	S	*	*			trans	77.8	136.7	141.8	-59.7	-9.3	0	0	0	116.9
379	N	39.5	Very low	36.8	Very low	119 Å²	119	135.3 Å²	135.3	64%	0.636	73%	0.729	S	S	*	*			cis	-176.1	152.7	-1.6	-110	-10.1	0	0	0	107.3
380	N	39.7	Very low	36.7	Very low	126 Å²	126	135.5 Å²	135.5	67%	0.674	72%	0.722	S	S	*	*			trans	71.1	139.4	148.7	-59.5	-2.5	0	0	0	118.2
381	N	40.2	Very low	36.6	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	73%	0.726	S	S	*	*			cis	-170.5	151.8	5.8	-99.4	-10.5	0	0	0	108.1
382	N	40.8	Very low	36.7	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	73%	0.732	S	S	*	*			trans	68.5	138.4	142	-69.3	30.3	0	0	0	119.3
383	D	42.3	Very low	36.5	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	74%	0.741	S	S	*	*			cis	-157.7	167.4	9.6	-86.4	-32.6	0	0	0	110
384	D	39.7	Very low	36.5	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	75%	0.748	S	S	*	*			trans	-56.1	147.6	-170	-57.8	-61.5	0	0	0	119.6
385	N	44.3	Very low	36.5	Very low	166 Å²	166	136.4 Å²	136.4	89%	0.888	75%	0.749	S	S	*	*				-178.8	121.5	106.9	-91	-43.9	0	0	0	113.5
386	N	34.2	Very low	36.1	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	76%	0.758	S	S	*	*			trans	-86.5	142.6	176.6	-80.9	-54	0	0	0	112.1
387	I	39.8	Very low	35.9	Very low	162 Å²	162	137.7 Å²	137.7	83%	0.831	76%	0.761	S	S	*	*			trans	-139.7	108.5	135.6	-62.8	-174.3	0	0	0	108.7	I389	I387-I389 HydrophobicContact CG2-CG1 4.41Å
388	N	28.5	Very low	35.5	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	77%	0.77	S	S	*	*			trans	-91.6	136.8	163.7	-87.7	-41.2	0	0	0	108.6
389	I	35.9	Very low	35.1	Very low	168 Å²	168	141.6 Å²	141.6	86%	0.862	78%	0.781	S	S	*	*			trans	-118.6	132.1	156.2	-64.4	-178.6	0	0	0	109.1	I387	I387-I389 HydrophobicContact CG2-CG1 4.41Å
390	M	32.5	Very low	34.6	Very low	151 Å²	151	141.3 Å²	141.3	74%	0.744	78%	0.784	S	S	*	*			trans	-101.9	141.7	-156.9	-172.4	169.4	78.8	0	0	110.6
391	M	30.4	Very low	34.4	Very low	184 Å²	184	143.5 Å²	143.5	91%	0.906	79%	0.792	S	S	*	*			trans	-54.1	140.1	163.1	-77.3	-175.7	174.3	0	0	111.6
392	K	32.1	Very low	34	Very low	188 Å²	188	142.1 Å²	142.1	82%	0.817	79%	0.792	S	S	*	*			trans	-131.2	116.3	155.2	-90.3	-175.7	176.6	177.2	0	110.5
393	S	27.4	Very low	34	Very low	123 Å²	123	143.8 Å²	143.8	86%	0.86	80%	0.799	S	S	*	*			trans	-94.8	135.3	162.5	-167.3	0	0	0	0	108.7
394	S	33.6	Very low	34.1	Very low	119 Å²	119	143 Å²	143	83%	0.832	80%	0.802	S	S	*	*			trans	-166.8	132.8	168.1	-69.1	0	0	0	0	104.5
395	G	33	Very low	34.1	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	81%	0.808	S	S	*	*			cis	137.9	122.9	17.1	0	0	0	0	0	106.9
396	N	30.9	Very low	34	Very low	163 Å²	163	141 Å²	141	87%	0.872	81%	0.808	S	S	*	*			trans	73	133.7	171.2	-63.2	-6.3	0	0	0	117.1
397	S	31.2	Very low	34.2	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	80%	0.804	S	S	*	*				-159.9	131.5	51.6	-49.9	0	0	0	0	112.1
398	H	31.2	Very low	34.2	Very low	184 Å²	184	136.4 Å²	136.4	85%	0.852	81%	0.805	S	S	*	*			trans	-83	139.8	166.5	-86.9	-80.2	0	0	0	110.7
399	T	30.8	Very low	34.7	Very low	147 Å²	147	134.9 Å²	134.9	90%	0.902	81%	0.805	S	S	*	*			trans	-126.9	104.6	159.7	-10.3	0	0	0	0	108.6
400	T	29.1	Very low	34.8	Very low	114 Å²	114	132.1 Å²	132.1	70%	0.699	80%	0.798	S	S	*	*			trans	-101.1	123.9	174.9	-49	0	0	0	0	108.1
401	M	34.3	Very low	34.8	Very low	172 Å²	172	132.4 Å²	132.4	85%	0.847	80%	0.802	S	S	*	*			trans	-90.1	115.2	168.1	-86.1	-59.6	-38.6	0	0	110
402	S	32.3	Very low	35.1	Very low	94 Å²	94	128.3 Å²	128.3	66%	0.657	79%	0.791	S	S	*	*			trans	-82.4	140.5	-179.9	39.9	0	0	0	0	113.5
403	I	41.4	Very low	35.3	Very low	164 Å²	164	127.1 Å²	127.1	84%	0.841	79%	0.788	S	S	*	*			trans	-121.9	126.5	159.7	-58.7	175.8	0	0	0	107.3
404	P	43.5	Very low	35.5	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	78%	0.782	S	S	*	*			trans	-89.4	153	-174	33.4	-31.7	0	0	0	113.8
405	P	40.3	Very low	35.7	Very low	127 Å²	127	129.7 Å²	129.7	83%	0.825	77%	0.773	S	S	*	*			trans	-112	159.1	-173.3	40.3	-30.8	0	0	0	115.1
406	S	40.7	Very low	35.8	Very low	127 Å²	127	134 Å²	134	89%	0.888	78%	0.775	S	S	*	*			trans	-167.2	134.4	160.5	57.1	0	0	0	0	108.3
407	G	38.7	Very low	35.8	Very low	62 Å²	62	131.4 Å²	131.4	64%	0.639	77%	0.77	S	S	*	*			cis	177	150.5	-2.7	0	0	0	0	0	107.7
408	T	39.8	Very low	35.7	Very low	138 Å²	138	134.6 Å²	134.6	85%	0.847	77%	0.772	S	S	*	*			trans	48.5	137.2	150.1	57.7	0	0	0	0	119.9
409	S	38.9	Very low	35.7	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	77%	0.769	S	S	*	*			cis	177.5	172.4	7.6	-98.3	0	0	0	0	106.9
410	P	38.3	Very low	35.8	Very low	109 Å²	109	131 Å²	131	71%	0.708	76%	0.761	S	S	*	*			trans	-112	171.4	-139	40.5	-33.9	0	0	0	116.7
411	L	33.9	Very low	35.7	Very low	158 Å²	158	135 Å²	135	83%	0.827	77%	0.769	S	S	*	*			trans	140.3	126.3	132.8	-80.7	143.7	0	0	0	116.1
412	S	34.8	Very low	35.6	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	77%	0.769	S	S	*	*			trans	98.3	128	136.6	81.8	0	0	0	0	121.6
413	H	37.4	Very low	35.3	Very low	164 Å²	164	137.6 Å²	137.6	76%	0.759	77%	0.772	S	S	*	*			trans	73.1	103.5	148.7	-62.9	-54.6	0	0	0	122.5
414	Q	32.4	Very low	34.6	Very low	158 Å²	158	136.1 Å²	136.1	74%	0.738	78%	0.775	S	S	*	*				66.1	131.5	113.6	-115.6	175.2	-9.5	0	0	121.4
415	H	36.9	Very low	33.8	Very low	137 Å²	137	133.3 Å²	133.3	63%	0.634	76%	0.758	S	S	*	*			trans	90.8	114.9	151.8	-82.6	-77.1	0	0	0	121
416	H	34.4	Very low	33.1	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.736	76%	0.762	S	S	*	*			trans	70.5	111.7	140.7	-72.5	-52	0	0	0	121.6
417	S	32.1	Very low	32.6	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	76%	0.755	S	S	*	*				73.7	126.6	119.8	-159	0	0	0	0	118.7
418	E	29.3	Very low	32.4	Very low	180 Å²	180	141.5 Å²	141.5	84%	0.841	76%	0.763	S	S	*	*			trans	90.8	81.4	149.6	-144	165.6	-154.3	0	0	117.2
419	C	29.7	Very low	32.3	Very low	117 Å²	117	140.5 Å²	140.5	79%	0.791	75%	0.751	S	S	*	*			trans	171.7	135.8	152.9	-94.3	0	0	0	0	105.6
420	D	33	Very low	33	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	73%	0.729	S	S	*	*			cis	-161.7	152.1	-4.3	-114.6	-32.4	0	0	0	105.6	I422	D420-I422 PolarHBondContact O-N 3.29Å
421	K	27.4	Very low	33.7	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.865	70%	0.703	S	S	*	*			trans	-49.1	108.6	174.2	-65.9	161.8	177.2	171.7	0	111
422	I	32	Very low	34.5	Very low	165 Å²	165	126.9 Å²	126.9	85%	0.846	67%	0.667	S	S	*	*			trans	-96.6	93.6	150.3	-59.4	-179	0	0	0	106.7	D420 C424	D420-I422 PolarHBondContact O-N 3.29Å; I422-C424 PolarHBondContact O-N 2.84Å; I422-C424 VanDerWaalsContact O-N 3.17Å
423	H	26.2	Very low	35.4	Very low	156 Å²	156	125.6 Å²	125.6	72%	0.722	65%	0.652	S	S	*	*			trans	-54.7	106.6	164.9	-156.1	61.7	0	0	0	108.2	S425	H423-S425 PolarHBondContact O-N 3.14Å
424	C	26	Very low	36	Very low	133 Å²	133	124.1 Å²	124.1	90%	0.899	65%	0.648	S	S	*	*			trans	-79.9	71.3	162	-169.1	0	0	0	0	107.4	I422 Q426	I422-C424 PolarHBondContact O-N 2.84Å; I422-C424 VanDerWaalsContact O-N 3.17Å; C424-Q426 PolarHBondContact O-N 3.38Å
425	S	26.7	Very low	37.6	Very low	58 Å²	58	120.7 Å²	120.7	41%	0.406	63%	0.634	S	S	.	*			trans	-64.1	124	166.5	41.3	0	0	0	0	109.4	H423 T427	H423-S425 PolarHBondContact O-N 3.14Å; S425-T427 PolarHBondContact O-N 3.35Å; S425-T427 PolarHBondContact O-OG1 3.05Å; S425-T427 VanDerWaalsContact O-OG1 3.06Å
426	Q	27.5	Very low	39.5	Very low	195 Å²	195	115 Å²	115	91%	0.911	61%	0.61	S	S	*	*			trans	18.6	94.9	140.5	-70.3	165.5	-14.9	0	0	114.6	C424	C424-Q426 PolarHBondContact O-N 3.38Å
427	T	29.8	Very low	41.6	Very low	123 Å²	123	112.8 Å²	112.8	76%	0.755	61%	0.608	S	S	*	*			trans	-146.7	121	163.5	-27	0	0	0	0	109.1	S425 I429	S425-T427 PolarHBondContact O-N 3.35Å; S425-T427 PolarHBondContact O-OG1 3.05Å; S425-T427 VanDerWaalsContact O-OG1 3.06Å; T427-I429 PolarHBondContact O-N 2.6Å; T427-I429 VanDerWaalsContact O-N 3.15Å
428	Q	33.6	Very low	44.2	Very low	169 Å²	169	111.1 Å²	111.1	79%	0.79	59%	0.59	S	S	*	*			trans	-36.8	107.9	178.4	-72.7	165.3	-44.2	0	0	113.2	V430	Q428-V430 HydrophobicContact CB-CG2 4.31Å; Q428-V430 PolarHBondContact O-N 3.34Å
429	I	37.1	Very low	46.9	Very low	118 Å²	118	104.7 Å²	104.7	61%	0.605	56%	0.564	S	S	*	*			trans	-86.9	97.9	155.6	-55.6	179.4	0	0	0	104.5	T427 P431	T427-I429 PolarHBondContact O-N 2.6Å; T427-I429 VanDerWaalsContact O-N 3.15Å; I429-P431 VanDerWaalsContact C-CD 3.49Å; I429-P431 HydrophobicContact CG2-CB 4.43Å; I429-P431 HydrophobicContact CG2-CG 3.85Å; I429-P431 WeakPolarHBondContact O-CD 3.43Å
430	V	55.1	Low	49.6	Very low	49 Å²	49	106.5 Å²	106.5	30%	0.297	56%	0.559	S	S	.	*			trans	-104	87.4	160.9	-173.1	0	0	0	0	105.5	Q428 Y432 I433	Q428-V430 HydrophobicContact CB-CG2 4.31Å; Q428-V430 PolarHBondContact O-N 3.34Å; V430-Y432 PolarHBondContact O-N 3.38Å; V430-I433 HydrophobicContact CB-CD1 3.94Å; V430-I433 HydrophobicContact CB-CG1 4.24Å; V430-I433 HydrophobicContact CG1-CD1 3.97Å; V430-I433 HydrophobicContact CG1-CG1 3.89Å; V430-I433 HydrophobicContact CG2-CD1 4.47Å; V430-I433 PolarHBondContact O-N 3.22Å
431	P	51.8	Low	52.3	Low	27 Å²	27	104.4 Å²	104.4	18%	0.175	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-3.3	-173.7	3.2	4.8	0	0	0	113.9	I429 L493	I429-P431 VanDerWaalsContact C-CD 3.49Å; I429-P431 HydrophobicContact CG2-CB 4.43Å; I429-P431 HydrophobicContact CG2-CG 3.85Å; I429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-L493 HydrophobicContact CB-CD1 3.82Å; P431-L493 HydrophobicContact CB-CD2 3.69Å; P431-L493 HydrophobicContact CB-CG 4.42Å; P431-L493 HydrophobicContact CG-CD1 3.26Å; P431-L493 HydrophobicContact CG-CD2 3.68Å; P431-L493 HydrophobicContact CG-CG 4.03Å
432	Y	51.6	Low	55.4	Low	14 Å²	14	95.1 Å²	95.1	6%	0.055	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.6	-175.4	-57.4	-78.7	0	0	0	114.2	V430 I434 T469 C470 Y473 L493	V430-Y432 PolarHBondContact O-N 3.38Å; Y432-I434 PolarHBondContact O-N 3.07Å; Y432-T469 HydrophobicContact CD1-CG2 4.49Å; Y432-T469 HydrophobicContact CE1-CG2 3.35Å; Y432-T469 WeakPolarHBondContact CE1-O 3.38Å; Y432-T469 WeakPolarHBondContact OH-CG2 3.28Å; Y432-C470 HydrophobicContact CD1-CB 4.2Å; Y432-Y473 AromaticContact CD2-CD1 3.66Å; Y432-Y473 HydrophobicContact CD2-CD1 3.66Å; Y432-Y473 HydrophobicContact CD2-CE1 4.07Å; Y432-Y473 HydrophobicContact CD2-CG 4.02Å; Y432-Y473 VanDerWaalsContact CE2-CB 3.45Å; Y432-Y473 AromaticContact CE2-CD1 3.16Å; Y432-Y473 HydrophobicContact CE2-CD1 3.16Å; Y432-Y473 AromaticContact CE2-CD2 3.54Å; Y432-Y473 HydrophobicContact CE2-CD2 3.54Å; Y432-Y473 AromaticContact CE2-CE1 3.65Å; Y432-Y473 HydrophobicContact CE2-CE1 3.65Å; Y432-Y473 HydrophobicContact CE2-CE2 4Å; Y432-Y473 AromaticContact CE2-CG 3.09Å; Y432-Y473 HydrophobicContact CE2-CG 3.09Å; Y432-Y473 AromaticContact CZ-CD2 3.83Å; Y432-Y473 AromaticContact CZ-CG 3.51Å; Y432-Y473 WeakPolarHBondContact OH-CB 3.38Å; Y432-Y473 VanDerWaalsContact OH-CD2 3.26Å; Y432-Y473 WeakPolarHBondContact OH-CD2 3.42Å; Y432-L493 HydrophobicContact CE1-CD2 3.81Å; Y432-L493 HydrophobicContact CE2-CD2 3.7Å; Y432-L493 WeakPolarHBondContact OH-CD2 3.47Å
433	I	52.9	Low	58.2	Low	71 Å²	71	90.8 Å²	90.8	36%	0.364	48%	0.479	S	S	.	.	S	Bend	trans	-70.9	-17.3	169.1	-71.8	176.1	0	0	0	110.9	V430 N435 P439	V430-I433 HydrophobicContact CB-CD1 3.94Å; V430-I433 HydrophobicContact CB-CG1 4.24Å; V430-I433 HydrophobicContact CG1-CD1 3.97Å; V430-I433 HydrophobicContact CG1-CG1 3.89Å; V430-I433 HydrophobicContact CG2-CD1 4.47Å; V430-I433 PolarHBondContact O-N 3.22Å; I433-N435 PolarHBondContact O-N 3.13Å; I433-P439 HydrophobicContact CB-CB 4.14Å; I433-P439 HydrophobicContact CG1-CB 4.01Å; I433-P439 HydrophobicContact CG2-CB 3.61Å; I433-P439 HydrophobicContact CG2-CG 4.13Å
434	I	51.5	Low	61.3	Low	132 Å²	132	88 Å²	88	68%	0.677	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-28.8	-170	-56.5	177.9	0	0	0	112.6	Y432	Y432-I434 PolarHBondContact O-N 3.07Å
435	N	66	Low	64.5	Low	86 Å²	86	82.5 Å²	82.5	46%	0.46	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	15	-179.2	-65.2	-9.8	0	0	0	113.3	I433	I433-N435 PolarHBondContact O-N 3.13Å
436	S	75.4	Confident	67.6	Low	17 Å²	17	80.4 Å²	80.4	12%	0.119	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-85.5	135.3	177.1	-179.2	0	0	0	0	111.3	N438 P439 L463	S436-N438 PolarHBondContact O-N 3.33Å; S436-N438 PolarHBondContact OG-N 2.94Å; S436-N438 PolarHBondContact OG-O 3.09Å; S436-P439 WeakPolarHBondContact OG-CA 3.31Å; S436-L463 CarbonylContact C-O 3.54Å; S436-L463 WeakPolarHBondContact CA-O 3.24Å; S436-L463 VanDerWaalsContact CB-O 3.24Å; S436-L463 WeakPolarHBondContact CB-O 3.39Å; S436-L463 PolarHBondContact OG-O 3.04Å
437	T	79.4	Confident	70.7	Confident	114 Å²	114	77.6 Å²	77.6	70%	0.699	40%	0.4	S	S	*	.	S	Bend	trans	-67.5	-29.4	171.9	54	0	0	0	0	111.6	Q462 L463	T437-Q462 PolarHBondContact OG1-O 2.79Å; T437-L463 PolarHBondContact N-O 3.09Å
438	N	85.6	Confident	73.7	Confident	72 Å²	72	76.2 Å²	76.2	39%	0.385	39%	0.392	S	S	.	.	S	Bend	trans	-147.7	86.6	176.7	-173.1	-10.7	0	0	0	111	S436 K440 K441 L442 L463	S436-N438 PolarHBondContact O-N 3.33Å; S436-N438 PolarHBondContact OG-N 2.94Å; S436-N438 PolarHBondContact OG-O 3.09Å; N438-K440 VanDerWaalsContact C-N 3.32Å; N438-K440 PolarHBondContact O-N 2.93Å; N438-K441 HydrophobicContact CB-CB 4.19Å; N438-K441 PolarHBondContact O-N 3.03Å; N438-K441 PolarHBondContact OD1-N 3.3Å; N438-L442 PolarHBondContact O-N 3.49Å; N438-L442 VanDerWaalsContact O-N 3.13Å; N438-L463 HydrophobicContact CB-CD2 3.95Å
439	P	85.6	Confident	76.6	Confident	45 Å²	45	69.4 Å²	69.4	29%	0.292	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-30.2	-170	23.9	-34.3	0	0	0	114.1	I433 S436 E443	I433-P439 HydrophobicContact CB-CB 4.14Å; I433-P439 HydrophobicContact CG1-CB 4.01Å; I433-P439 HydrophobicContact CG2-CB 3.61Å; I433-P439 HydrophobicContact CG2-CG 4.13Å; S436-P439 WeakPolarHBondContact OG-CA 3.31Å; P439-E443 WeakPolarHBondContact O-CB 3.35Å; P439-E443 PolarHBondContact O-N 3.14Å
440	K	87.3	Confident	79.4	Confident	155 Å²	155	64 Å²	64	67%	0.674	34%	0.335	S	S	*	.	H	α-helix	trans	-67.1	-46.2	177	-70.8	-173.9	177.4	-176.3	0	111.3	N438 L442 E443 D444	N438-K440 VanDerWaalsContact C-N 3.32Å; N438-K440 PolarHBondContact O-N 2.93Å; K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.86Å; K440-E443 PolarHBondContact O-N 2.96Å; K440-D444 WeakPolarHBondContact O-CB 3.23Å; K440-D444 VanDerWaalsContact O-CG 3.23Å; K440-D444 PolarHBondContact O-N 3.06Å
441	K	90.8	Very high	81.3	Confident	94 Å²	94	64.9 Å²	64.9	41%	0.409	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-39.9	178.2	-171	175.8	179	-151.8	0	111.2	N438 L445 E459 L463	N438-K441 HydrophobicContact CB-CB 4.19Å; N438-K441 PolarHBondContact O-N 3.03Å; N438-K441 PolarHBondContact OD1-N 3.3Å; K441-L445 WeakPolarHBondContact O-CB 3.44Å; K441-L445 PolarHBondContact O-N 3.19Å; K441-E459 WeakPolarHBondContact CE-OE1 3.14Å; K441-E459 IonicContact NZ-OE1 3.65Å; K441-E459 PolarHBondContact NZ-OE1 2.9Å; K441-L463 HydrophobicContact CB-CD1 4.43Å; K441-L463 HydrophobicContact CB-CD2 4.32Å; K441-L463 HydrophobicContact CD-CD1 4.37Å; K441-L463 HydrophobicContact CD-CD2 4.08Å; K441-L463 HydrophobicContact CG-CD1 4.08Å; K441-L463 HydrophobicContact CG-CD2 4.36Å
442	L	91.3	Very high	83.4	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-46.5	174.2	-179	60.5	0	0	0	111.9	N438 K440 D444 L445 L446 V460 L463 T464	N438-L442 PolarHBondContact O-N 3.49Å; N438-L442 VanDerWaalsContact O-N 3.13Å; K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.86Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.27Å; L442-L445 PolarHBondContact O-N 3.15Å; L442-L446 HydrophobicContact CD1-CD1 3.98Å; L442-L446 HydrophobicContact CD1-CG 4.14Å; L442-L446 HydrophobicContact CG-CD1 3.97Å; L442-L446 WeakPolarHBondContact O-CB 3.34Å; L442-L446 VanDerWaalsContact O-CG 3.23Å; L442-L446 WeakPolarHBondContact O-CG 3.34Å; L442-L446 PolarHBondContact O-N 3.05Å; L442-V460 HydrophobicContact CD1-CG1 4.16Å; L442-L463 HydrophobicContact CB-CB 4.23Å; L442-L463 HydrophobicContact CB-CD1 4.25Å; L442-L463 HydrophobicContact CD1-CB 4.16Å; L442-L463 HydrophobicContact CD1-CD1 4.42Å; L442-T464 HydrophobicContact CD2-CG2 4.29Å
443	E	90.5	Very high	85.6	Confident	73 Å²	73	70 Å²	70	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.4	-175.6	178.8	-179.8	0	0	111.9	P439 K440 K447	P439-E443 WeakPolarHBondContact O-CB 3.35Å; P439-E443 PolarHBondContact O-N 3.14Å; K440-E443 PolarHBondContact O-N 2.96Å; E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 WeakPolarHBondContact O-CB 3.29Å; E443-K447 VanDerWaalsContact O-CG 3.3Å; E443-K447 WeakPolarHBondContact O-CG 3.38Å; E443-K447 PolarHBondContact O-N 3.43Å; E443-K447 VanDerWaalsContact OE1-CE 3.25Å; E443-K447 WeakPolarHBondContact OE1-CE 3.28Å; E443-K447 IonicContact OE1-NZ 3.13Å; E443-K447 PolarHBondContact OE1-NZ 3.04Å
444	D	91.8	Very high	87.6	Confident	97 Å²	97	67.6 Å²	67.6	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-48.8	177.1	-69	-24.5	0	0	0	110.9	K440 L442 L446 K447 T448	K440-D444 WeakPolarHBondContact O-CB 3.23Å; K440-D444 VanDerWaalsContact O-CG 3.23Å; K440-D444 PolarHBondContact O-N 3.06Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.27Å; D444-L446 VanDerWaalsContact C-N 3.35Å; D444-L446 PolarHBondContact O-N 3.23Å; D444-K447 PolarHBondContact O-N 2.96Å; D444-T448 WeakPolarHBondContact O-CG2 3.32Å; D444-T448 PolarHBondContact O-N 3.39Å; D444-T448 PolarHBondContact O-OG1 2.91Å; D444-T448 VanDerWaalsContact O-OG1 3.05Å
445	L	92.7	Very high	89.7	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-57.2	-45.2	177.5	179.6	63.6	0	0	0	112.1	K441 L442 T448 S449 E459 V460 L463	K441-L445 WeakPolarHBondContact O-CB 3.44Å; K441-L445 PolarHBondContact O-N 3.19Å; L442-L445 PolarHBondContact O-N 3.15Å; L445-T448 PolarHBondContact O-OG1 3.48Å; L445-S449 WeakPolarHBondContact O-CB 3.3Å; L445-S449 PolarHBondContact O-N 3.43Å; L445-E459 HydrophobicContact CD2-CB 4.17Å; L445-E459 HydrophobicContact CD2-CG 3.91Å; L445-V460 HydrophobicContact CD2-CG2 3.66Å; L445-L463 HydrophobicContact CD2-CD1 4.19Å
446	L	93.1	Very high	91.2	Very high	14 Å²	14	60 Å²	60	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-35.7	178.7	-66.9	172.1	0	0	0	112.3	L442 D444 L450 I471	L442-L446 HydrophobicContact CD1-CD1 3.98Å; L442-L446 HydrophobicContact CD1-CG 4.14Å; L442-L446 HydrophobicContact CG-CD1 3.97Å; L442-L446 WeakPolarHBondContact O-CB 3.34Å; L442-L446 VanDerWaalsContact O-CG 3.23Å; L442-L446 WeakPolarHBondContact O-CG 3.34Å; L442-L446 PolarHBondContact O-N 3.05Å; D444-L446 VanDerWaalsContact C-N 3.35Å; D444-L446 PolarHBondContact O-N 3.23Å; L446-L450 HydrophobicContact CD2-CD1 4.22Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.34Å; L446-I471 HydrophobicContact CD2-CD1 3.66Å
447	K	91.2	Very high	92.2	Very high	136 Å²	136	59.1 Å²	59.1	59%	0.591	31%	0.308	S	S	*	.	H	α-helix	trans	-69.5	-37.2	177	-78.6	176.4	-175.4	169.2	0	112.6	E443 D444	E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 WeakPolarHBondContact O-CB 3.29Å; E443-K447 VanDerWaalsContact O-CG 3.3Å; E443-K447 WeakPolarHBondContact O-CG 3.38Å; E443-K447 PolarHBondContact O-N 3.43Å; E443-K447 VanDerWaalsContact OE1-CE 3.25Å; E443-K447 WeakPolarHBondContact OE1-CE 3.28Å; E443-K447 IonicContact OE1-NZ 3.13Å; E443-K447 PolarHBondContact OE1-NZ 3.04Å; D444-K447 PolarHBondContact O-N 2.96Å
448	T	92.8	Very high	93	Very high	95 Å²	95	53.9 Å²	53.9	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-86.5	-35.1	-175.4	56.6	0	0	0	0	113.3	D444 L445	D444-T448 WeakPolarHBondContact O-CG2 3.32Å; D444-T448 PolarHBondContact O-N 3.39Å; D444-T448 PolarHBondContact O-OG1 2.91Å; D444-T448 VanDerWaalsContact O-OG1 3.05Å; L445-T448 PolarHBondContact O-OG1 3.48Å
449	S	94.5	Very high	93.5	Very high	26 Å²	26	52.5 Å²	52.5	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-121.7	-5.5	-161.6	-49.6	0	0	0	0	114.9	L445 D451 L452	L445-S449 WeakPolarHBondContact O-CB 3.3Å; L445-S449 PolarHBondContact O-N 3.43Å; S449-D451 VanDerWaalsContact C-N 3.27Å; S449-D451 PolarHBondContact O-N 3.27Å; S449-L452 PolarHBondContact O-N 3.28Å; S449-L452 VanDerWaalsContact O-N 3.1Å
450	L	95.5	Very high	93.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.1	-176.9	-174.2	68.1	0	0	0	113.8	L446 I471 N474 I475 K478 Q519	L446-L450 HydrophobicContact CD2-CD1 4.22Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.34Å; L450-I471 HydrophobicContact CD1-CD1 3.93Å; L450-N474 HydrophobicContact CD2-CB 4.14Å; L450-I475 HydrophobicContact CD1-CD1 4.19Å; L450-I475 HydrophobicContact CD1-CG1 3.94Å; L450-I475 HydrophobicContact CD2-CG1 4.06Å; L450-I475 HydrophobicContact CG-CG1 4.16Å; L450-K478 HydrophobicContact CD2-CD 4.17Å; L450-Q519 HydrophobicContact CD1-CG 4.21Å; L450-Q519 PolarHBondContact O-NE2 2.89Å
451	D	96.4	Very high	94.3	Very high	67 Å²	67	45 Å²	45	36%	0.358	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.7	179.8	-53.3	-17.7	0	0	0	113	S449 K478 H522	S449-D451 VanDerWaalsContact C-N 3.27Å; S449-D451 PolarHBondContact O-N 3.27Å; D451-K478 WeakPolarHBondContact OD1-CE 3.33Å; D451-K478 IonicContact OD1-NZ 2.65Å; D451-K478 PolarHBondContact OD1-NZ 3.13Å; D451-K478 WeakPolarHBondContact OD2-CE 3.33Å; D451-K478 IonicContact OD2-NZ 3.26Å; D451-K478 PolarHBondContact OD2-NZ 3.21Å; D451-H522 IonicContact OD1-NE2 2.83Å; D451-H522 PolarHBondContact OD1-NE2 2.88Å; D451-H522 VanDerWaalsContact OD1-NE2 3.13Å
452	L	96.3	Very high	94.5	Very high	101 Å²	101	47.1 Å²	47.1	53%	0.529	24%	0.243	S	C	.	.	S	Bend	trans	-97	141.2	-176.2	-58.9	-178.4	0	0	0	110.5	S449 G454 Q519	S449-L452 PolarHBondContact O-N 3.28Å; S449-L452 VanDerWaalsContact O-N 3.1Å; L452-G454 PolarHBondContact O-N 3.34Å; L452-Q519 PolarHBondContact O-NE2 3.44Å
453	W	97.2	Very high	94.6	Very high	48 Å²	48	47.4 Å²	47.4	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	131.6	168.8	-166.5	-106.2	0	0	0	109.6	V523 L524 A672 K673 W730 I744	W453-V523 HydrophobicContact CB-CG1 4.36Å; W453-V523 HydrophobicContact CE3-CB 4.06Å; W453-V523 HydrophobicContact CE3-CG1 3.96Å; W453-L524 HydrophobicContact CZ3-CD2 4.1Å; W453-L524 HydrophobicContact CZ3-CG 4.12Å; W453-A672 PolarHBondContact NE1-O 3.22Å; W453-K673 HydrophobicContact CZ2-CD 4.08Å; W453-K673 VanDerWaalsContact CZ2-CE 3.45Å; W453-W730 AromaticContact CH2-CH2 3.49Å; W453-W730 HydrophobicContact CH2-CH2 3.49Å; W453-W730 VanDerWaalsContact CH2-CH2 3.49Å; W453-W730 AromaticContact CH2-CZ2 3.88Å; W453-W730 HydrophobicContact CH2-CZ2 3.88Å; W453-W730 AromaticContact CZ2-CH2 3.72Å; W453-W730 HydrophobicContact CZ2-CH2 3.72Å; W453-W730 AromaticContact CZ2-CZ2 3.93Å; W453-W730 HydrophobicContact CZ2-CZ2 3.93Å; W453-W730 HydrophobicContact CZ3-CH2 4.37Å; W453-I744 HydrophobicContact CD2-CD1 3.75Å; W453-I744 HydrophobicContact CD2-CG1 4.03Å; W453-I744 HydrophobicContact CE3-CD1 3.95Å; W453-I744 HydrophobicContact CG-CD1 4.18Å; W453-I744 HydrophobicContact CG-CG1 4.02Å; W453-I744 HydrophobicContact CH2-CD1 4.39Å; W453-I744 HydrophobicContact CZ2-CD1 4.19Å; W453-I744 HydrophobicContact CZ2-CG2 3.92Å; W453-I744 HydrophobicContact CZ3-CD1 4.27Å
454	G	93.8	Very high	94.6	Very high	20 Å²	20	44.2 Å²	44.2	21%	0.206	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	34.4	-178.7	0	0	0	0	0	114.9	L452 D456	L452-G454 PolarHBondContact O-N 3.34Å; G454-D456 PolarHBondContact O-N 2.52Å
455	I	96.3	Very high	94.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.227	C	C	.	.			trans	-53.7	136.6	162	-170.4	171.4	0	0	0	109.3	I457 V460 I471 Q519 L677	I455-I457 VanDerWaalsContact C-N 3.27Å; I455-I457 PolarHBondContact O-N 3.37Å; I455-V460 HydrophobicContact CD1-CG2 4.29Å; I455-I471 HydrophobicContact CD1-CD1 4.34Å; I455-Q519 HydrophobicContact CG2-CB 4.44Å; I455-Q519 HydrophobicContact CG2-CG 3.76Å; I455-Q519 VanDerWaalsContact CG2-OE1 3.29Å; I455-L677 WeakPolarHBondContact O-CD1 3.21Å
456	D	96.9	Very high	94.6	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	23%	0.231	S	C	.	.			trans	-74	87.2	172.6	-169.2	-18.4	0	0	0	109.7	G454 F458 E459 V460 L677	G454-D456 PolarHBondContact O-N 2.52Å; D456-F458 PolarHBondContact O-N 2.92Å; D456-F458 WeakPolarHBondContact OD1-CB 3.42Å; D456-F458 PolarHBondContact OD1-N 3.24Å; D456-F458 VanDerWaalsContact OD1-N 3.08Å; D456-E459 HydrophobicContact CB-CB 3.9Å; D456-E459 WeakPolarHBondContact O-CB 3.19Å; D456-E459 PolarHBondContact O-N 2.79Å; D456-E459 PolarHBondContact OD1-N 3.46Å; D456-V460 PolarHBondContact O-N 3.14Å; D456-L677 HydrophobicContact CB-CD2 4.25Å
457	I	97.1	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-22.6	179.8	-161.1	66.6	0	0	0	112.3	I455 V460 D461 I471 V512 A515 D516 W681	I455-I457 VanDerWaalsContact C-N 3.27Å; I455-I457 PolarHBondContact O-N 3.37Å; I457-V460 HydrophobicContact CD1-CB 4.34Å; I457-V460 HydrophobicContact CD1-CG2 4.43Å; I457-V460 WeakPolarHBondContact O-CB 3.33Å; I457-V460 PolarHBondContact O-N 3.2Å; I457-D461 PolarHBondContact O-N 2.67Å; I457-I471 HydrophobicContact CD1-CD1 4.09Å; I457-I471 HydrophobicContact CD1-CG1 3.86Å; I457-V512 HydrophobicContact CG1-CG1 4.18Å; I457-V512 HydrophobicContact CG2-CG1 4.11Å; I457-A515 HydrophobicContact CD1-CB 3.85Å; I457-A515 HydrophobicContact CG1-CB 4.13Å; I457-D516 HydrophobicContact CB-CB 4.5Å; I457-D516 HydrophobicContact CG1-CB 4.17Å; I457-D516 HydrophobicContact CG2-CB 4.14Å; I457-W681 HydrophobicContact CG2-CZ2 3.69Å
458	F	97.3	Very high	94.9	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-73.5	-36.7	173.5	-55.9	-65.8	0	0	0	110.9	D456 V460 D461 Q462 V512 L677 Q680 W681	D456-F458 PolarHBondContact O-N 2.92Å; D456-F458 WeakPolarHBondContact OD1-CB 3.42Å; D456-F458 PolarHBondContact OD1-N 3.24Å; D456-F458 VanDerWaalsContact OD1-N 3.08Å; F458-V460 VanDerWaalsContact C-N 3.29Å; F458-V460 PolarHBondContact O-N 3.32Å; F458-D461 PolarHBondContact O-N 2.78Å; F458-Q462 VanDerWaalsContact O-CG 3.29Å; F458-Q462 WeakPolarHBondContact O-CG 3.38Å; F458-Q462 PolarHBondContact O-N 3.41Å; F458-V512 HydrophobicContact CD1-CG1 4.06Å; F458-V512 HydrophobicContact CE1-CG1 4.24Å; F458-L677 HydrophobicContact CD2-CD2 3.78Å; F458-L677 HydrophobicContact CE2-CD2 4.07Å; F458-Q680 HydrophobicContact CD2-CB 4.17Å; F458-Q680 HydrophobicContact CE2-CB 3.48Å; F458-Q680 VanDerWaalsContact CE2-CB 3.48Å; F458-Q680 HydrophobicContact CE2-CG 4.28Å; F458-Q680 HydrophobicContact CZ-CB 3.7Å; F458-W681 HydrophobicContact CE1-CD2 4.25Å; F458-W681 HydrophobicContact CE1-CE3 4.28Å; F458-W681 AromaticContact CE1-CH2 3.83Å; F458-W681 HydrophobicContact CE1-CH2 3.83Å; F458-W681 AromaticContact CE1-CZ2 3.82Å; F458-W681 HydrophobicContact CE1-CZ2 3.82Å; F458-W681 HydrophobicContact CE1-CZ3 4.08Å; F458-W681 HydrophobicContact CE2-CD2 4.44Å; F458-W681 HydrophobicContact CE2-CZ2 4.45Å; F458-W681 AromaticContact CE2-NE1 3.98Å; F458-W681 AromaticContact CZ-CD2 3.54Å; F458-W681 HydrophobicContact CZ-CD2 3.54Å; F458-W681 AromaticContact CZ-CE2 3.36Å; F458-W681 AromaticContact CZ-CE3 3.97Å; F458-W681 HydrophobicContact CZ-CE3 3.97Å; F458-W681 AromaticContact CZ-CG 3.99Å; F458-W681 HydrophobicContact CZ-CG 3.99Å; F458-W681 HydrophobicContact CZ-CH2 4.04Å; F458-W681 AromaticContact CZ-CZ2 3.65Å; F458-W681 HydrophobicContact CZ-CZ2 3.65Å; F458-W681 HydrophobicContact CZ-CZ3 4.2Å; F458-W681 AromaticContact CZ-NE1 3.74Å
459	E	95.4	Very high	95.1	Very high	42 Å²	42	32.2 Å²	32.2	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-38.9	169.8	-174.9	171.8	-153.2	0	0	111.1	K441 L445 D456 Q462 L463	K441-E459 WeakPolarHBondContact CE-OE1 3.14Å; K441-E459 IonicContact NZ-OE1 3.65Å; K441-E459 PolarHBondContact NZ-OE1 2.9Å; L445-E459 HydrophobicContact CD2-CB 4.17Å; L445-E459 HydrophobicContact CD2-CG 3.91Å; D456-E459 HydrophobicContact CB-CB 3.9Å; D456-E459 WeakPolarHBondContact O-CB 3.19Å; D456-E459 PolarHBondContact O-N 2.79Å; D456-E459 PolarHBondContact OD1-N 3.46Å; E459-Q462 PolarHBondContact O-N 2.77Å; E459-L463 HydrophobicContact CG-CD1 3.87Å; E459-L463 HydrophobicContact CG-CG 4.38Å; E459-L463 WeakPolarHBondContact O-CB 3.46Å; E459-L463 WeakPolarHBondContact O-CG 3.32Å; E459-L463 PolarHBondContact O-N 3.48Å
460	V	94.6	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-48.4	172.7	179.7	0	0	0	0	111.2	L442 L445 I455 D456 I457 F458 Q462 L463 T464 P467 I471	L442-V460 HydrophobicContact CD1-CG1 4.16Å; L445-V460 HydrophobicContact CD2-CG2 3.66Å; I455-V460 HydrophobicContact CD1-CG2 4.29Å; D456-V460 PolarHBondContact O-N 3.14Å; I457-V460 HydrophobicContact CD1-CB 4.34Å; I457-V460 HydrophobicContact CD1-CG2 4.43Å; I457-V460 WeakPolarHBondContact O-CB 3.33Å; I457-V460 PolarHBondContact O-N 3.2Å; F458-V460 VanDerWaalsContact C-N 3.29Å; F458-V460 PolarHBondContact O-N 3.32Å; V460-Q462 VanDerWaalsContact C-N 3.3Å; V460-Q462 PolarHBondContact O-N 3.33Å; V460-L463 PolarHBondContact O-N 3.36Å; V460-T464 HydrophobicContact CG1-CG2 4Å; V460-T464 WeakPolarHBondContact O-CG2 3.44Å; V460-T464 PolarHBondContact O-N 3Å; V460-P467 HydrophobicContact CG1-CB 4.1Å; V460-I471 HydrophobicContact CG1-CD1 4.33Å; V460-I471 HydrophobicContact CG1-CG1 4.18Å; V460-I471 HydrophobicContact CG2-CD1 4.4Å
461	D	94.7	Very high	95.2	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-33.3	177.1	-179.8	57.6	0	0	0	113.1	I457 F458 L463 P467 R511 V512	I457-D461 PolarHBondContact O-N 2.67Å; F458-D461 PolarHBondContact O-N 2.78Å; D461-L463 VanDerWaalsContact C-N 3.32Å; D461-P467 HydrophobicContact CB-CB 4.25Å; D461-P467 HydrophobicContact CB-CG 4.14Å; D461-P467 WeakPolarHBondContact OD1-CG 3.5Å; D461-R511 IonicContact OD1-NH1 3.85Å; D461-R511 PolarHBondContact OD1-NH1 3.46Å; D461-V512 HydrophobicContact CB-CG1 4.27Å; D461-V512 HydrophobicContact CB-CG2 3.78Å; D461-V512 VanDerWaalsContact CG-CG2 3.4Å
462	Q	94.5	Very high	95.2	Very high	139 Å²	139	27.7 Å²	27.7	65%	0.65	15%	0.146	S	C	*	.	H	α-helix	trans	-70.1	-30.7	173.1	-70.4	171.4	25	0	0	112.8	T437 F458 E459 V460	T437-Q462 PolarHBondContact OG1-O 2.79Å; F458-Q462 VanDerWaalsContact O-CG 3.29Å; F458-Q462 WeakPolarHBondContact O-CG 3.38Å; F458-Q462 PolarHBondContact O-N 3.41Å; E459-Q462 PolarHBondContact O-N 2.77Å; V460-Q462 VanDerWaalsContact C-N 3.3Å; V460-Q462 PolarHBondContact O-N 3.33Å
463	L	93.4	Very high	95.2	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-88.1	-21	-175.8	-70.5	173.1	0	0	0	113.6	S436 T437 N438 K441 L442 L445 E459 V460 D461	S436-L463 CarbonylContact C-O 3.54Å; S436-L463 WeakPolarHBondContact CA-O 3.24Å; S436-L463 VanDerWaalsContact CB-O 3.24Å; S436-L463 WeakPolarHBondContact CB-O 3.39Å; S436-L463 PolarHBondContact OG-O 3.04Å; T437-L463 PolarHBondContact N-O 3.09Å; N438-L463 HydrophobicContact CB-CD2 3.95Å; K441-L463 HydrophobicContact CB-CD1 4.43Å; K441-L463 HydrophobicContact CB-CD2 4.32Å; K441-L463 HydrophobicContact CD-CD1 4.37Å; K441-L463 HydrophobicContact CD-CD2 4.08Å; K441-L463 HydrophobicContact CG-CD1 4.08Å; K441-L463 HydrophobicContact CG-CD2 4.36Å; L442-L463 HydrophobicContact CB-CB 4.23Å; L442-L463 HydrophobicContact CB-CD1 4.25Å; L442-L463 HydrophobicContact CD1-CB 4.16Å; L442-L463 HydrophobicContact CD1-CD1 4.42Å; L445-L463 HydrophobicContact CD2-CD1 4.19Å; E459-L463 HydrophobicContact CG-CD1 3.87Å; E459-L463 HydrophobicContact CG-CG 4.38Å; E459-L463 WeakPolarHBondContact O-CB 3.46Å; E459-L463 WeakPolarHBondContact O-CG 3.32Å; E459-L463 PolarHBondContact O-N 3.48Å; V460-L463 PolarHBondContact O-N 3.36Å; D461-L463 VanDerWaalsContact C-N 3.32Å
464	T	91.9	Very high	95.1	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.037	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-139.9	143.4	178.4	175.8	0	0	0	0	111.3	L442 V460 N466 P467 C470	L442-T464 HydrophobicContact CD2-CG2 4.29Å; V460-T464 HydrophobicContact CG1-CG2 4Å; V460-T464 WeakPolarHBondContact O-CG2 3.44Å; V460-T464 PolarHBondContact O-N 3Å; T464-N466 PolarHBondContact O-N 2.95Å; T464-N466 PolarHBondContact OG1-N 3.11Å; T464-N466 VanDerWaalsContact OG1-N 3.14Å; T464-P467 HydrophobicContact CG2-CB 4.37Å; T464-C470 HydrophobicContact CG2-CB 4.1Å
465	T	89.9	Confident	95.3	Very high	74 Å²	74	21.4 Å²	21.4	45%	0.454	11%	0.111	S	C	.	.	S	Bend	trans	-66.9	-18.4	172.9	64.9	0	0	0	0	113.1	P467 R511	T465-P467 VanDerWaalsContact C-CD 3.46Å; T465-P467 WeakPolarHBondContact O-CD 3.49Å; T465-R511 PolarHBondContact O-NH1 3.4Å
466	N	93	Very high	95.3	Very high	35 Å²	35	21.3 Å²	21.3	19%	0.187	11%	0.111	C	C	.	.			trans	-126.5	63.3	-170.9	-62.7	-19.6	0	0	0	111	T464 L468 C470 E500	T464-N466 PolarHBondContact O-N 2.95Å; T464-N466 PolarHBondContact OG1-N 3.11Å; T464-N466 VanDerWaalsContact OG1-N 3.14Å; N466-L468 VanDerWaalsContact C-N 3.35Å; N466-L468 PolarHBondContact O-N 3.36Å; N466-C470 WeakPolarHBondContact O-CB 3.43Å; N466-C470 PolarHBondContact O-N 3.06Å; N466-E500 VanDerWaalsContact CA-CD 3.42Å; N466-E500 WeakPolarHBondContact CA-OE1 3.41Å; N466-E500 VanDerWaalsContact CA-OE2 3.27Å; N466-E500 WeakPolarHBondContact CA-OE2 3.39Å; N466-E500 VanDerWaalsContact CB-OE2 3.24Å; N466-E500 WeakPolarHBondContact CB-OE2 3.43Å
467	P	95.2	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57	-40.9	-178.5	24.4	-36.7	0	0	0	113.8	V460 D461 T464 T465 C470 I471 E500 R511 V512 A515	V460-P467 HydrophobicContact CG1-CB 4.1Å; D461-P467 HydrophobicContact CB-CB 4.25Å; D461-P467 HydrophobicContact CB-CG 4.14Å; D461-P467 WeakPolarHBondContact OD1-CG 3.5Å; T464-P467 HydrophobicContact CG2-CB 4.37Å; T465-P467 VanDerWaalsContact C-CD 3.46Å; T465-P467 WeakPolarHBondContact O-CD 3.49Å; P467-C470 WeakPolarHBondContact O-CB 3.04Å; P467-C470 PolarHBondContact O-N 3.43Å; P467-I471 WeakPolarHBondContact O-CB 3.3Å; P467-I471 WeakPolarHBondContact O-CG1 3.38Å; P467-I471 PolarHBondContact O-N 2.86Å; P467-E500 WeakPolarHBondContact CD-OE1 3.36Å; P467-E500 WeakPolarHBondContact CG-OE1 3.48Å; P467-R511 HydrophobicContact CG-CG 4.23Å; P467-V512 HydrophobicContact CG-CG2 4.29Å; P467-A515 HydrophobicContact CB-CB 4.42Å
468	L	97.3	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-50.8	-178.3	172.8	61.6	0	0	0	111	N466 C470 I471 F472 M496 V499 E500 Y503 R511 A514 A515 V518 A547	N466-L468 VanDerWaalsContact C-N 3.35Å; N466-L468 PolarHBondContact O-N 3.36Å; L468-C470 PolarHBondContact O-N 2.95Å; L468-I471 PolarHBondContact O-N 3.4Å; L468-F472 VanDerWaalsContact O-CB 3.24Å; L468-F472 WeakPolarHBondContact O-CB 3.44Å; L468-F472 PolarHBondContact O-N 3.28Å; L468-M496 HydrophobicContact CD1-CE 4.3Å; L468-M496 HydrophobicContact CD2-CE 4.07Å; L468-M496 HydrophobicContact CG-CE 3.84Å; L468-V499 HydrophobicContact CD2-CG1 4.14Å; L468-E500 HydrophobicContact CB-CG 4.26Å; L468-E500 WeakPolarHBondContact CB-OE1 3.4Å; L468-E500 HydrophobicContact CD2-CB 4.43Å; L468-E500 PolarHBondContact N-OE1 3.03Å; L468-Y503 HydrophobicContact CD2-CD2 4.03Å; L468-Y503 HydrophobicContact CD2-CE2 3.69Å; L468-R511 HydrophobicContact CB-CB 4.35Å; L468-A514 HydrophobicContact CD1-CB 4Å; L468-A514 HydrophobicContact CD2-CB 4.06Å; L468-A515 HydrophobicContact CB-CB 4.26Å; L468-A515 HydrophobicContact CD1-CB 4.41Å; L468-V518 HydrophobicContact CD1-CG2 4.07Å; L468-A547 HydrophobicContact CD1-CB 4.1Å
469	T	96.4	Very high	95	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-36.7	179.7	-50.1	0	0	0	0	110.3	Y432 Y473 M496 E500	Y432-T469 HydrophobicContact CD1-CG2 4.49Å; Y432-T469 HydrophobicContact CE1-CG2 3.35Å; Y432-T469 WeakPolarHBondContact CE1-O 3.38Å; Y432-T469 WeakPolarHBondContact OH-CG2 3.28Å; T469-Y473 VanDerWaalsContact O-CB 3.25Å; T469-Y473 WeakPolarHBondContact O-CB 3.41Å; T469-Y473 PolarHBondContact O-N 3.27Å; T469-Y473 VanDerWaalsContact O-N 3.14Å; T469-M496 HydrophobicContact CG2-CB 3.47Å; T469-M496 VanDerWaalsContact CG2-CB 3.47Å; T469-M496 PolarHBondContact OG1-O 2.89Å; T469-E500 WeakPolarHBondContact CB-OE2 3.49Å; T469-E500 PolarHBondContact N-OE2 3.31Å; T469-E500 PolarHBondContact OG1-OE2 3.25Å
470	C	94.9	Very high	95.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-55.1	176.2	-174.9	0	0	0	0	112.2	Y432 T464 N466 P467 L468 N474	Y432-C470 HydrophobicContact CD1-CB 4.2Å; T464-C470 HydrophobicContact CG2-CB 4.1Å; N466-C470 WeakPolarHBondContact O-CB 3.43Å; N466-C470 PolarHBondContact O-N 3.06Å; P467-C470 WeakPolarHBondContact O-CB 3.04Å; P467-C470 PolarHBondContact O-N 3.43Å; L468-C470 PolarHBondContact O-N 2.95Å; C470-N474 PolarHBondContact O-N 3.21Å; C470-N474 VanDerWaalsContact O-N 3.12Å; C470-N474 PolarHBondContact O-ND2 3.48Å
471	I	96.6	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-48.7	-178.3	-72.4	-71	0	0	0	110.8	L446 L450 I455 I457 V460 P467 L468 Y473 N474 I475 A515 V518 Q519	L446-I471 HydrophobicContact CD2-CD1 3.66Å; L450-I471 HydrophobicContact CD1-CD1 3.93Å; I455-I471 HydrophobicContact CD1-CD1 4.34Å; I457-I471 HydrophobicContact CD1-CD1 4.09Å; I457-I471 HydrophobicContact CD1-CG1 3.86Å; V460-I471 HydrophobicContact CG1-CD1 4.33Å; V460-I471 HydrophobicContact CG1-CG1 4.18Å; V460-I471 HydrophobicContact CG2-CD1 4.4Å; P467-I471 WeakPolarHBondContact O-CB 3.3Å; P467-I471 WeakPolarHBondContact O-CG1 3.38Å; P467-I471 PolarHBondContact O-N 2.86Å; L468-I471 PolarHBondContact O-N 3.4Å; I471-Y473 PolarHBondContact O-N 3.2Å; I471-N474 PolarHBondContact O-N 2.89Å; I471-I475 HydrophobicContact CG2-CD1 3.62Å; I471-I475 WeakPolarHBondContact O-CG1 3.32Å; I471-I475 PolarHBondContact O-N 3.46Å; I471-A515 HydrophobicContact CB-CB 4.46Å; I471-A515 HydrophobicContact CG1-CB 4.37Å; I471-V518 HydrophobicContact CG2-CB 4.43Å; I471-V518 HydrophobicContact CG2-CG1 4.07Å; I471-Q519 HydrophobicContact CG2-CB 3.94Å
472	F	97.5	Very high	95.3	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-49.7	-178.9	-173.8	-88.7	0	0	0	111.7	L468 I475 V476 L492 M496 V518 F540 L543 F544 A547	L468-F472 VanDerWaalsContact O-CB 3.24Å; L468-F472 WeakPolarHBondContact O-CB 3.44Å; L468-F472 PolarHBondContact O-N 3.28Å; F472-I475 PolarHBondContact O-N 2.96Å; F472-V476 HydrophobicContact CD1-CG2 3.9Å; F472-V476 HydrophobicContact CE1-CB 4.42Å; F472-V476 HydrophobicContact CE1-CG2 3.46Å; F472-V476 VanDerWaalsContact CE1-CG2 3.46Å; F472-V476 HydrophobicContact CE2-CG2 4.28Å; F472-V476 HydrophobicContact CG-CG2 4.47Å; F472-V476 HydrophobicContact CZ-CG2 3.7Å; F472-V476 WeakPolarHBondContact O-CB 3.46Å; F472-V476 VanDerWaalsContact O-CG2 3.3Å; F472-V476 WeakPolarHBondContact O-CG2 3.34Å; F472-V476 PolarHBondContact O-N 3.33Å; F472-L492 HydrophobicContact CD1-CD1 4.09Å; F472-L492 HydrophobicContact CD1-CD2 4.45Å; F472-L492 HydrophobicContact CE1-CD1 3.53Å; F472-L492 HydrophobicContact CE1-CD2 4.25Å; F472-L492 HydrophobicContact CE1-CG 4.41Å; F472-M496 HydrophobicContact CB-CE 4.14Å; F472-M496 HydrophobicContact CD1-CE 4.41Å; F472-M496 HydrophobicContact CD1-CG 3.82Å; F472-M496 HydrophobicContact CD1-SD 3.97Å; F472-M496 HydrophobicContact CD2-CE 4.41Å; F472-M496 HydrophobicContact CE1-CG 4.25Å; F472-M496 HydrophobicContact CE1-SD 4.19Å; F472-M496 HydrophobicContact CG-CE 4.05Å; F472-M496 HydrophobicContact CG-CG 4.39Å; F472-M496 HydrophobicContact CG-SD 4.16Å; F472-V518 HydrophobicContact CD2-CG1 4.09Å; F472-V518 HydrophobicContact CD2-CG2 4.44Å; F472-F540 HydrophobicContact CZ-CE2 4.2Å; F472-L543 HydrophobicContact CE2-CB 4.1Å; F472-L543 WeakPolarHBondContact CE2-O 3.39Å; F472-F544 HydrophobicContact CZ-CB 4.44Å; F472-F544 HydrophobicContact CZ-CD2 4.35Å; F472-A547 HydrophobicContact CD2-CB 3.65Å; F472-A547 HydrophobicContact CE2-CB 3.9Å
473	Y	95.5	Very high	95.3	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-45.3	-178.8	-179.7	-89.6	0	0	0	112.6	Y432 T469 I471 I475 V476 Q477 L482 E489 L492	Y432-Y473 AromaticContact CD2-CD1 3.66Å; Y432-Y473 HydrophobicContact CD2-CD1 3.66Å; Y432-Y473 HydrophobicContact CD2-CE1 4.07Å; Y432-Y473 HydrophobicContact CD2-CG 4.02Å; Y432-Y473 VanDerWaalsContact CE2-CB 3.45Å; Y432-Y473 AromaticContact CE2-CD1 3.16Å; Y432-Y473 HydrophobicContact CE2-CD1 3.16Å; Y432-Y473 AromaticContact CE2-CD2 3.54Å; Y432-Y473 HydrophobicContact CE2-CD2 3.54Å; Y432-Y473 AromaticContact CE2-CE1 3.65Å; Y432-Y473 HydrophobicContact CE2-CE1 3.65Å; Y432-Y473 HydrophobicContact CE2-CE2 4Å; Y432-Y473 AromaticContact CE2-CG 3.09Å; Y432-Y473 HydrophobicContact CE2-CG 3.09Å; Y432-Y473 AromaticContact CZ-CD2 3.83Å; Y432-Y473 AromaticContact CZ-CG 3.51Å; Y432-Y473 WeakPolarHBondContact OH-CB 3.38Å; Y432-Y473 VanDerWaalsContact OH-CD2 3.26Å; Y432-Y473 WeakPolarHBondContact OH-CD2 3.42Å; T469-Y473 VanDerWaalsContact O-CB 3.25Å; T469-Y473 WeakPolarHBondContact O-CB 3.41Å; T469-Y473 PolarHBondContact O-N 3.27Å; T469-Y473 VanDerWaalsContact O-N 3.14Å; I471-Y473 PolarHBondContact O-N 3.2Å; Y473-I475 VanDerWaalsContact C-N 3.27Å; Y473-I475 PolarHBondContact O-N 3.19Å; Y473-V476 PolarHBondContact O-N 2.98Å; Y473-Q477 HydrophobicContact CE1-CB 4.47Å; Y473-Q477 VanDerWaalsContact O-CB 3.26Å; Y473-Q477 WeakPolarHBondContact O-CB 3.32Å; Y473-Q477 PolarHBondContact O-N 3.23Å; Y473-L482 HydrophobicContact CE2-CD1 4.1Å; Y473-E489 HydrophobicContact CE2-CG 4.49Å; Y473-E489 PolarHBondContact OH-OE2 3.27Å; Y473-L492 HydrophobicContact CD2-CD2 3.98Å
474	N	95.1	Very high	95.4	Very high	36 Å²	36	34.6 Å²	34.6	19%	0.193	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-38.8	179	-81.6	-83.7	0	0	0	111.2	L450 C470 I471 K478	L450-N474 HydrophobicContact CD2-CB 4.14Å; C470-N474 PolarHBondContact O-N 3.21Å; C470-N474 VanDerWaalsContact O-N 3.12Å; C470-N474 PolarHBondContact O-ND2 3.48Å; I471-N474 PolarHBondContact O-N 2.89Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.47Å
475	I	97.2	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-48.5	175.2	-72.9	163.6	0	0	0	111.7	L450 I471 F472 Y473 Q477 K478 R479 V518 Q519 H522 L543	L450-I475 HydrophobicContact CD1-CD1 4.19Å; L450-I475 HydrophobicContact CD1-CG1 3.94Å; L450-I475 HydrophobicContact CD2-CG1 4.06Å; L450-I475 HydrophobicContact CG-CG1 4.16Å; I471-I475 HydrophobicContact CG2-CD1 3.62Å; I471-I475 WeakPolarHBondContact O-CG1 3.32Å; I471-I475 PolarHBondContact O-N 3.46Å; F472-I475 PolarHBondContact O-N 2.96Å; Y473-I475 VanDerWaalsContact C-N 3.27Å; Y473-I475 PolarHBondContact O-N 3.19Å; I475-Q477 VanDerWaalsContact C-N 3.31Å; I475-Q477 PolarHBondContact O-N 2.81Å; I475-K478 PolarHBondContact O-N 2.85Å; I475-R479 WeakPolarHBondContact O-CB 3.35Å; I475-R479 WeakPolarHBondContact O-CG 3.41Å; I475-R479 PolarHBondContact O-N 3.46Å; I475-V518 HydrophobicContact CD1-CG1 3.83Å; I475-Q519 HydrophobicContact CD1-CB 4.45Å; I475-H522 HydrophobicContact CD1-CB 3.69Å; I475-H522 HydrophobicContact CG1-CB 4.13Å; I475-H522 HydrophobicContact CG2-CB 4.15Å; I475-H522 VanDerWaalsContact CG2-ND1 3.29Å; I475-H522 WeakPolarHBondContact CG2-ND1 3.32Å; I475-L543 HydrophobicContact CG2-CD1 3.6Å; I475-L543 HydrophobicContact CG2-CD2 3.99Å; I475-L543 HydrophobicContact CG2-CG 4.43Å
476	V	96.7	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-37	-178.2	172.7	0	0	0	0	111.2	F472 Y473 N480 L481 L482 L492 F540	F472-V476 HydrophobicContact CD1-CG2 3.9Å; F472-V476 HydrophobicContact CE1-CB 4.42Å; F472-V476 HydrophobicContact CE1-CG2 3.46Å; F472-V476 VanDerWaalsContact CE1-CG2 3.46Å; F472-V476 HydrophobicContact CE2-CG2 4.28Å; F472-V476 HydrophobicContact CG-CG2 4.47Å; F472-V476 HydrophobicContact CZ-CG2 3.7Å; F472-V476 WeakPolarHBondContact O-CB 3.46Å; F472-V476 VanDerWaalsContact O-CG2 3.3Å; F472-V476 WeakPolarHBondContact O-CG2 3.34Å; F472-V476 PolarHBondContact O-N 3.33Å; Y473-V476 PolarHBondContact O-N 2.98Å; V476-N480 PolarHBondContact O-N 3Å; V476-L481 HydrophobicContact CG1-CB 3.79Å; V476-L481 HydrophobicContact CG2-CD1 4.47Å; V476-L481 PolarHBondContact O-N 3.13Å; V476-L482 HydrophobicContact CG1-CD2 3.57Å; V476-L482 HydrophobicContact CG1-CG 3.85Å; V476-L492 HydrophobicContact CG1-CD2 4.26Å; V476-F540 HydrophobicContact CG1-CD2 4.38Å; V476-F540 HydrophobicContact CG1-CE2 4.18Å; V476-F540 HydrophobicContact CG2-CD2 4.39Å; V476-F540 HydrophobicContact CG2-CE2 4.31Å
477	Q	94.8	Very high	96.1	Very high	89 Å²	89	33.3 Å²	33.3	42%	0.416	16%	0.164	S	C	.	.	H	α-helix	trans	-66.3	-47.7	172.3	-173.9	178.6	1.2	0	0	111.2	Y473 I475 R479 N480 L482	Y473-Q477 HydrophobicContact CE1-CB 4.47Å; Y473-Q477 VanDerWaalsContact O-CB 3.26Å; Y473-Q477 WeakPolarHBondContact O-CB 3.32Å; Y473-Q477 PolarHBondContact O-N 3.23Å; I475-Q477 VanDerWaalsContact C-N 3.31Å; I475-Q477 PolarHBondContact O-N 2.81Å; Q477-R479 VanDerWaalsContact C-N 3.34Å; Q477-R479 PolarHBondContact O-N 3.13Å; Q477-N480 WeakPolarHBondContact O-CA 2.92Å; Q477-N480 PolarHBondContact O-N 2.72Å; Q477-L482 HydrophobicContact CB-CD1 4.06Å; Q477-L482 HydrophobicContact CG-CD1 4.35Å
478	K	95.2	Very high	96.1	Very high	103 Å²	103	35 Å²	35	45%	0.448	18%	0.175	S	C	.	.	H	α-helix	trans	-60.9	-40	179.9	-178.2	169.3	-171.9	161.3	0	112.9	L450 D451 N474 I475 N480	L450-K478 HydrophobicContact CD2-CD 4.17Å; D451-K478 WeakPolarHBondContact OD1-CE 3.33Å; D451-K478 IonicContact OD1-NZ 2.65Å; D451-K478 PolarHBondContact OD1-NZ 3.13Å; D451-K478 WeakPolarHBondContact OD2-CE 3.33Å; D451-K478 IonicContact OD2-NZ 3.26Å; D451-K478 PolarHBondContact OD2-NZ 3.21Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.47Å; I475-K478 PolarHBondContact O-N 2.85Å; K478-N480 PolarHBondContact O-N 3.22Å
479	R	96.3	Very high	95.9	Very high	47 Å²	47	39 Å²	39	18%	0.177	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3.3	175	-67.1	-173.3	174.2	-69	-8.1	113.4	I475 Q477 L481 H522 N526	I475-R479 WeakPolarHBondContact O-CB 3.35Å; I475-R479 WeakPolarHBondContact O-CG 3.41Å; I475-R479 PolarHBondContact O-N 3.46Å; Q477-R479 VanDerWaalsContact C-N 3.34Å; Q477-R479 PolarHBondContact O-N 3.13Å; R479-L481 HydrophobicContact CB-CD1 3.86Å; R479-L481 HydrophobicContact CB-CD2 4.44Å; R479-L481 HydrophobicContact CB-CG 3.74Å; R479-L481 PolarHBondContact O-N 3Å; R479-H522 PolarHBondContact NE-CE1 2.8Å; R479-H522 PolarHBondContact NE-ND1 2.73Å; R479-H522 PolarHBondContact NH2-CE1 2.96Å; R479-H522 VanDerWaalsContact NH2-CE1 3.35Å; R479-H522 PolarHBondContact NH2-ND1 3.3Å; R479-H522 VanDerWaalsContact NH2-ND1 3.17Å; R479-H522 PolarHBondContact NH2-O 3.19Å; R479-N526 PolarHBondContact NH2-OD1 3.46Å
480	N	97	Very high	95.9	Very high	68 Å²	68	47.9 Å²	47.9	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	30.1	-177.2	-162	28.2	0	0	0	114.4	V476 Q477 K478 Q483 K484	V476-N480 PolarHBondContact O-N 3Å; Q477-N480 WeakPolarHBondContact O-CA 2.92Å; Q477-N480 PolarHBondContact O-N 2.72Å; K478-N480 PolarHBondContact O-N 3.22Å; N480-Q483 PolarHBondContact ND2-OE1 3.38Å; N480-Q483 VanDerWaalsContact OD1-CB 3.23Å; N480-Q483 WeakPolarHBondContact OD1-CB 3.33Å; N480-Q483 PolarHBondContact OD1-OE1 3.06Å; N480-K484 WeakPolarHBondContact O-CB 3.43Å; N480-K484 WeakPolarHBondContact O-CD 3.26Å; N480-K484 WeakPolarHBondContact O-CG 3.19Å; N480-K484 PolarHBondContact O-N 3.24Å
481	L	97	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-77.3	-28.5	-175.7	-60.7	171.9	0	0	0	111.8	V476 R479 Q483 K484 F485 D536 I539 F540 L543	V476-L481 HydrophobicContact CG1-CB 3.79Å; V476-L481 HydrophobicContact CG2-CD1 4.47Å; V476-L481 PolarHBondContact O-N 3.13Å; R479-L481 HydrophobicContact CB-CD1 3.86Å; R479-L481 HydrophobicContact CB-CD2 4.44Å; R479-L481 HydrophobicContact CB-CG 3.74Å; R479-L481 PolarHBondContact O-N 3Å; L481-Q483 PolarHBondContact O-N 3.44Å; L481-K484 HydrophobicContact CD2-CD 4.46Å; L481-K484 PolarHBondContact O-N 3.22Å; L481-F485 HydrophobicContact CB-CD2 4.38Å; L481-F485 HydrophobicContact CD2-CE2 4.03Å; L481-F485 WeakPolarHBondContact O-CD2 3.13Å; L481-F485 PolarHBondContact O-N 3.37Å; L481-F485 VanDerWaalsContact O-N 3.11Å; L481-D536 HydrophobicContact CD2-CB 4.23Å; L481-I539 HydrophobicContact CD1-CG2 4.06Å; L481-F540 HydrophobicContact CB-CD2 4.28Å; L481-F540 HydrophobicContact CD1-CB 4.13Å; L481-F540 HydrophobicContact CD1-CD2 4.15Å; L481-L543 HydrophobicContact CD1-CD1 4.12Å
482	L	95.4	Very high	95.9	Very high	15 Å²	15	48.5 Å²	48.5	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-50.8	174.1	-62.3	177.9	0	0	0	111.4	Y473 V476 Q477 A486 I487 E489 L492	Y473-L482 HydrophobicContact CE2-CD1 4.1Å; V476-L482 HydrophobicContact CG1-CD2 3.57Å; V476-L482 HydrophobicContact CG1-CG 3.85Å; Q477-L482 HydrophobicContact CB-CD1 4.06Å; Q477-L482 HydrophobicContact CG-CD1 4.35Å; L482-A486 CarbonylContact O-C 3.51Å; L482-A486 WeakPolarHBondContact O-CA 3.43Å; L482-A486 PolarHBondContact O-N 3.16Å; L482-A486 VanDerWaalsContact O-N 3.1Å; L482-I487 HydrophobicContact CD2-CB 4.3Å; L482-I487 HydrophobicContact CD2-CG2 4.33Å; L482-I487 PolarHBondContact O-N 3.48Å; L482-E489 HydrophobicContact CD1-CG 4.13Å; L482-L492 HydrophobicContact CD2-CD2 3.49Å; L482-L492 VanDerWaalsContact CD2-CD2 3.49Å
483	Q	95.5	Very high	95.7	Very high	146 Å²	146	50 Å²	50	68%	0.682	24%	0.238	S	C	*	.	H	α-helix	trans	-71.4	-45.3	-178.5	-168.6	-177.9	26.5	0	0	111.4	N480 L481 F485 A486	N480-Q483 PolarHBondContact ND2-OE1 3.38Å; N480-Q483 VanDerWaalsContact OD1-CB 3.23Å; N480-Q483 WeakPolarHBondContact OD1-CB 3.33Å; N480-Q483 PolarHBondContact OD1-OE1 3.06Å; L481-Q483 PolarHBondContact O-N 3.44Å; Q483-F485 VanDerWaalsContact C-N 3.28Å; Q483-F485 PolarHBondContact O-N 3.23Å; Q483-A486 PolarHBondContact O-N 3.46Å
484	K	95.5	Very high	95.7	Very high	104 Å²	104	52.9 Å²	52.9	45%	0.452	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-38.7	-177.5	-76	175.4	176.5	-164.6	0	112.9	N480 L481 D536	N480-K484 WeakPolarHBondContact O-CB 3.43Å; N480-K484 WeakPolarHBondContact O-CD 3.26Å; N480-K484 WeakPolarHBondContact O-CG 3.19Å; N480-K484 PolarHBondContact O-N 3.24Å; L481-K484 HydrophobicContact CD2-CD 4.46Å; L481-K484 PolarHBondContact O-N 3.22Å; K484-D536 HydrophobicContact CD-CB 4.28Å; K484-D536 WeakPolarHBondContact CD-OD2 3.27Å; K484-D536 WeakPolarHBondContact CE-OD2 3.2Å; K484-D536 IonicContact NZ-OD1 2.88Å; K484-D536 PolarHBondContact NZ-OD1 3.34Å; K484-D536 IonicContact NZ-OD2 2.63Å; K484-D536 PolarHBondContact NZ-OD2 3.15Å
485	F	96	Very high	95.9	Very high	22 Å²	22	51.1 Å²	51.1	10%	0.096	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	6.6	-179.2	-67.3	-63.9	0	0	0	114.3	L481 Q483 I487 D536 L537 F540 F601	L481-F485 HydrophobicContact CB-CD2 4.38Å; L481-F485 HydrophobicContact CD2-CE2 4.03Å; L481-F485 WeakPolarHBondContact O-CD2 3.13Å; L481-F485 PolarHBondContact O-N 3.37Å; L481-F485 VanDerWaalsContact O-N 3.11Å; Q483-F485 VanDerWaalsContact C-N 3.28Å; Q483-F485 PolarHBondContact O-N 3.23Å; F485-I487 HydrophobicContact CB-CD1 3.91Å; F485-I487 HydrophobicContact CB-CG1 3.78Å; F485-I487 PolarHBondContact O-N 3.47Å; F485-D536 HydrophobicContact CE2-CB 3.93Å; F485-D536 WeakPolarHBondContact CE2-O 3.46Å; F485-D536 VanDerWaalsContact CZ-C 3.47Å; F485-D536 HydrophobicContact CZ-CB 3.73Å; F485-L537 HydrophobicContact CD1-CD1 4.48Å; F485-L537 HydrophobicContact CE1-CB 4.35Å; F485-L537 HydrophobicContact CE1-CD1 3.79Å; F485-L537 HydrophobicContact CZ-CB 4.05Å; F485-L537 HydrophobicContact CZ-CD1 4.05Å; F485-F540 HydrophobicContact CD2-CB 4.37Å; F485-F540 HydrophobicContact CE2-CB 4Å; F485-F601 HydrophobicContact CB-CD1 4.44Å; F485-F601 HydrophobicContact CB-CE1 3.53Å; F485-F601 HydrophobicContact CB-CZ 3.68Å; F485-F601 HydrophobicContact CD1-CE1 4.26Å; F485-F601 HydrophobicContact CD1-CE2 4.17Å; F485-F601 AromaticContact CD1-CZ 3.87Å; F485-F601 HydrophobicContact CD1-CZ 3.87Å; F485-F601 HydrophobicContact CD2-CZ 4.35Å; F485-F601 HydrophobicContact CG-CE1 4.05Å; F485-F601 HydrophobicContact CG-CE2 4.42Å; F485-F601 AromaticContact CG-CZ 3.7Å; F485-F601 HydrophobicContact CG-CZ 3.7Å
486	A	96.3	Very high	95.9	Very high	58 Å²	58	51.1 Å²	51.1	48%	0.479	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	40.5	-174.7	0	0	0	0	0	112.6	L482 Q483 P488 N600	L482-A486 CarbonylContact O-C 3.51Å; L482-A486 WeakPolarHBondContact O-CA 3.43Å; L482-A486 PolarHBondContact O-N 3.16Å; L482-A486 VanDerWaalsContact O-N 3.1Å; Q483-A486 PolarHBondContact O-N 3.46Å; A486-P488 WeakPolarHBondContact O-CD 3.3Å; A486-N600 HydrophobicContact CB-CB 4.37Å; A486-N600 PolarHBondContact O-ND2 3.46Å
487	I	96.4	Very high	95.8	Very high	8 Å²	8	53 Å²	53	4%	0.041	26%	0.256	C	S	.	.			trans	-72.1	120.5	-179.8	-64.2	165.3	0	0	0	107.9	L482 F485 E489 L492 F540 V597 F601	L482-I487 HydrophobicContact CD2-CB 4.3Å; L482-I487 HydrophobicContact CD2-CG2 4.33Å; L482-I487 PolarHBondContact O-N 3.48Å; F485-I487 HydrophobicContact CB-CD1 3.91Å; F485-I487 HydrophobicContact CB-CG1 3.78Å; F485-I487 PolarHBondContact O-N 3.47Å; I487-E489 PolarHBondContact O-N 2.91Å; I487-E489 VanDerWaalsContact O-N 3.15Å; I487-L492 HydrophobicContact CG2-CB 3.99Å; I487-F540 HydrophobicContact CD1-CD2 4.12Å; I487-F540 HydrophobicContact CD1-CE1 4.16Å; I487-F540 HydrophobicContact CD1-CE2 3.52Å; I487-F540 HydrophobicContact CD1-CZ 3.55Å; I487-V597 HydrophobicContact CD1-CG1 4.38Å; I487-V597 HydrophobicContact CG1-CG1 4.5Å; I487-V597 HydrophobicContact CG2-CG1 3.7Å; I487-F601 HydrophobicContact CD1-CE1 4.3Å; I487-F601 HydrophobicContact CD1-CZ 4.36Å; I487-F601 HydrophobicContact CG1-CE1 3.89Å; I487-F601 HydrophobicContact CG1-CZ 4.44Å
488	P	95.4	Very high	95.9	Very high	37 Å²	37	49.3 Å²	49.3	24%	0.24	24%	0.24	C	C	.	.			trans	-63	119.5	174.7	-19.2	32.4	0	0	0	109.8	A486 R490 N491 L492	A486-P488 WeakPolarHBondContact O-CD 3.3Å; P488-R490 PolarHBondContact O-N 3.07Å; P488-R490 VanDerWaalsContact O-N 3.17Å; P488-N491 HydrophobicContact CB-CB 4.09Å; P488-N491 HydrophobicContact CG-CB 4.45Å; P488-N491 WeakPolarHBondContact O-CB 3.48Å; P488-N491 PolarHBondContact O-N 3.14Å; P488-L492 PolarHBondContact O-N 3.15Å; P488-L492 VanDerWaalsContact O-N 3.09Å
489	E	94	Very high	96.1	Very high	82 Å²	82	44.4 Å²	44.4	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-52.3	-41.7	-178.8	-73.3	178.3	-162	0	0	112	Y473 L482 I487 N491 L492 L493	Y473-E489 HydrophobicContact CE2-CG 4.49Å; Y473-E489 PolarHBondContact OH-OE2 3.27Å; L482-E489 HydrophobicContact CD1-CG 4.13Å; I487-E489 PolarHBondContact O-N 2.91Å; I487-E489 VanDerWaalsContact O-N 3.15Å; E489-N491 VanDerWaalsContact C-N 3.34Å; E489-N491 PolarHBondContact O-N 3.37Å; E489-L492 PolarHBondContact O-N 3.39Å; E489-L493 WeakPolarHBondContact O-CB 3.32Å; E489-L493 WeakPolarHBondContact O-CD1 3.34Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 2.87Å
490	R	94.7	Very high	96.1	Very high	187 Å²	187	42.4 Å²	42.4	71%	0.706	21%	0.212	S	C	*	.	H	α-helix	trans	-57.6	-44.6	175	178.2	178.4	175.2	141.7	2.3	112.3	P488 L492 L493 L494	P488-R490 PolarHBondContact O-N 3.07Å; P488-R490 VanDerWaalsContact O-N 3.17Å; R490-L492 VanDerWaalsContact C-N 3.34Å; R490-L493 PolarHBondContact O-N 3.47Å; R490-L494 HydrophobicContact CG-CD1 3.95Å; R490-L494 HydrophobicContact CG-CG 4.43Å; R490-L494 WeakPolarHBondContact O-CB 3.48Å; R490-L494 VanDerWaalsContact O-CG 3.28Å; R490-L494 WeakPolarHBondContact O-CG 3.32Å; R490-L494 PolarHBondContact O-N 3.28Å
491	N	95.9	Very high	96.1	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.08	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-42	-178.7	-67.7	22.4	0	0	0	110.4	P488 E489 L493 L494 Y495 G594 D596 E599	P488-N491 HydrophobicContact CB-CB 4.09Å; P488-N491 HydrophobicContact CG-CB 4.45Å; P488-N491 WeakPolarHBondContact O-CB 3.48Å; P488-N491 PolarHBondContact O-N 3.14Å; E489-N491 VanDerWaalsContact C-N 3.34Å; E489-N491 PolarHBondContact O-N 3.37Å; N491-L493 PolarHBondContact O-N 2.84Å; N491-L494 PolarHBondContact O-N 3.49Å; N491-Y495 VanDerWaalsContact O-CB 3.28Å; N491-Y495 WeakPolarHBondContact O-CB 3.49Å; N491-Y495 PolarHBondContact O-N 2.98Å; N491-G594 WeakPolarHBondContact CA-O 3.43Å; N491-G594 WeakPolarHBondContact CB-O 3.27Å; N491-G594 VanDerWaalsContact CG-O 3.29Å; N491-G594 PolarHBondContact OD1-O 3.17Å; N491-D596 PolarHBondContact ND2-O 2.85Å; N491-E599 PolarHBondContact ND2-OE2 3.23Å
492	L	95.9	Very high	96.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-45.9	177.2	180	65.1	0	0	0	111.7	F472 Y473 V476 L482 I487 P488 E489 R490 Y495 M496 V597	F472-L492 HydrophobicContact CD1-CD1 4.09Å; F472-L492 HydrophobicContact CD1-CD2 4.45Å; F472-L492 HydrophobicContact CE1-CD1 3.53Å; F472-L492 HydrophobicContact CE1-CD2 4.25Å; F472-L492 HydrophobicContact CE1-CG 4.41Å; Y473-L492 HydrophobicContact CD2-CD2 3.98Å; V476-L492 HydrophobicContact CG1-CD2 4.26Å; L482-L492 HydrophobicContact CD2-CD2 3.49Å; L482-L492 VanDerWaalsContact CD2-CD2 3.49Å; I487-L492 HydrophobicContact CG2-CB 3.99Å; P488-L492 PolarHBondContact O-N 3.15Å; P488-L492 VanDerWaalsContact O-N 3.09Å; E489-L492 PolarHBondContact O-N 3.39Å; R490-L492 VanDerWaalsContact C-N 3.34Å; L492-Y495 PolarHBondContact O-N 3.27Å; L492-M496 HydrophobicContact CD1-CG 3.8Å; L492-M496 HydrophobicContact CG-CG 4.3Å; L492-M496 VanDerWaalsContact O-CB 3.31Å; L492-M496 WeakPolarHBondContact O-CB 3.2Å; L492-M496 WeakPolarHBondContact O-CG 3.43Å; L492-M496 PolarHBondContact O-N 2.81Å; L492-V597 HydrophobicContact CD1-CG1 3.88Å; L492-V597 HydrophobicContact CD1-CG2 4.23Å
493	L	94.7	Very high	96.3	Very high	31 Å²	31	51.1 Å²	51.1	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-49.7	177	-83.7	155.8	0	0	0	112.8	P431 Y432 E489 R490 N491 T497	P431-L493 HydrophobicContact CB-CD1 3.82Å; P431-L493 HydrophobicContact CB-CD2 3.69Å; P431-L493 HydrophobicContact CB-CG 4.42Å; P431-L493 HydrophobicContact CG-CD1 3.26Å; P431-L493 HydrophobicContact CG-CD2 3.68Å; P431-L493 HydrophobicContact CG-CG 4.03Å; Y432-L493 HydrophobicContact CE1-CD2 3.81Å; Y432-L493 HydrophobicContact CE2-CD2 3.7Å; Y432-L493 WeakPolarHBondContact OH-CD2 3.47Å; E489-L493 WeakPolarHBondContact O-CB 3.32Å; E489-L493 WeakPolarHBondContact O-CD1 3.34Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 2.87Å; R490-L493 PolarHBondContact O-N 3.47Å; N491-L493 PolarHBondContact O-N 2.84Å; L493-T497 VanDerWaalsContact O-CB 3.3Å; L493-T497 WeakPolarHBondContact O-CB 3.28Å; L493-T497 PolarHBondContact O-N 3.22Å; L493-T497 PolarHBondContact O-OG1 2.99Å
494	L	95.8	Very high	96.3	Very high	62 Å²	62	47.6 Å²	47.6	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-46.3	179.4	-71.1	174.3	0	0	0	110.9	R490 N491 A498 H595	R490-L494 HydrophobicContact CG-CD1 3.95Å; R490-L494 HydrophobicContact CG-CG 4.43Å; R490-L494 WeakPolarHBondContact O-CB 3.48Å; R490-L494 VanDerWaalsContact O-CG 3.28Å; R490-L494 WeakPolarHBondContact O-CG 3.32Å; R490-L494 PolarHBondContact O-N 3.28Å; N491-L494 PolarHBondContact O-N 3.49Å; L494-A498 WeakPolarHBondContact O-CB 3.43Å; L494-A498 PolarHBondContact O-N 3.39Å; L494-H595 PolarHBondContact O-CD2 2.64Å
495	Y	97.9	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-52.8	177.1	179.6	-97.5	0	0	0	112.4	N491 L492 T497 A498 V499 F544 A586 L589 L590 H595 V597	N491-Y495 VanDerWaalsContact O-CB 3.28Å; N491-Y495 WeakPolarHBondContact O-CB 3.49Å; N491-Y495 PolarHBondContact O-N 2.98Å; L492-Y495 PolarHBondContact O-N 3.27Å; Y495-T497 VanDerWaalsContact C-N 3.33Å; Y495-T497 PolarHBondContact O-N 2.7Å; Y495-A498 WeakPolarHBondContact O-CB 3.44Å; Y495-A498 PolarHBondContact O-N 3.4Å; Y495-A498 VanDerWaalsContact O-N 3.14Å; Y495-V499 HydrophobicContact CD1-CG2 4.03Å; Y495-V499 HydrophobicContact CE1-CG2 3.48Å; Y495-V499 VanDerWaalsContact CE1-CG2 3.48Å; Y495-V499 HydrophobicContact CE2-CG2 4.09Å; Y495-V499 WeakPolarHBondContact O-CG2 3.32Å; Y495-V499 PolarHBondContact O-N 3.33Å; Y495-F544 HydrophobicContact CD1-CE2 4.02Å; Y495-F544 HydrophobicContact CD1-CZ 4.37Å; Y495-F544 HydrophobicContact CE1-CD2 4.42Å; Y495-F544 HydrophobicContact CE1-CE1 4.4Å; Y495-F544 AromaticContact CE1-CE2 3.35Å; Y495-F544 HydrophobicContact CE1-CE2 3.35Å; Y495-F544 AromaticContact CE1-CZ 3.36Å; Y495-F544 HydrophobicContact CE1-CZ 3.36Å; Y495-F544 HydrophobicContact CE2-CZ 4.41Å; Y495-F544 AromaticContact CZ-CE2 3.9Å; Y495-F544 AromaticContact CZ-CZ 3.4Å; Y495-F544 WeakPolarHBondContact OH-CZ 3.46Å; Y495-A586 PolarHBondContact OH-O 3.28Å; Y495-L589 HydrophobicContact CD2-CB 4.19Å; Y495-L589 HydrophobicContact CE2-CB 3.76Å; Y495-L590 HydrophobicContact CD2-CD2 3.65Å; Y495-L590 HydrophobicContact CD2-CG 4.16Å; Y495-L590 HydrophobicContact CE2-CD2 3.49Å; Y495-L590 VanDerWaalsContact CE2-CD2 3.49Å; Y495-L590 HydrophobicContact CE2-CG 3.6Å; Y495-L590 HydrophobicContact CG-CD2 4.36Å; Y495-H595 WeakPolarHBondContact CB-O 3.48Å; Y495-H595 HydrophobicContact CD2-CB 4.37Å; Y495-H595 WeakPolarHBondContact CD2-O 3.07Å; Y495-V597 VanDerWaalsContact CB-CG2 3.47Å; Y495-V597 HydrophobicContact CD1-CG2 3.67Å; Y495-V597 HydrophobicContact CD2-CG2 4.25Å; Y495-V597 HydrophobicContact CG-CG2 3.5Å
496	M	97.4	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-36	-176.6	-74.1	-51.5	-51.7	0	0	112.1	L468 T469 F472 L492 V499 E500 A547	L468-M496 HydrophobicContact CD1-CE 4.3Å; L468-M496 HydrophobicContact CD2-CE 4.07Å; L468-M496 HydrophobicContact CG-CE 3.84Å; T469-M496 HydrophobicContact CG2-CB 3.47Å; T469-M496 VanDerWaalsContact CG2-CB 3.47Å; T469-M496 PolarHBondContact OG1-O 2.89Å; F472-M496 HydrophobicContact CB-CE 4.14Å; F472-M496 HydrophobicContact CD1-CE 4.41Å; F472-M496 HydrophobicContact CD1-CG 3.82Å; F472-M496 HydrophobicContact CD1-SD 3.97Å; F472-M496 HydrophobicContact CD2-CE 4.41Å; F472-M496 HydrophobicContact CE1-CG 4.25Å; F472-M496 HydrophobicContact CE1-SD 4.19Å; F472-M496 HydrophobicContact CG-CE 4.05Å; F472-M496 HydrophobicContact CG-CG 4.39Å; F472-M496 HydrophobicContact CG-SD 4.16Å; L492-M496 HydrophobicContact CD1-CG 3.8Å; L492-M496 HydrophobicContact CG-CG 4.3Å; L492-M496 VanDerWaalsContact O-CB 3.31Å; L492-M496 WeakPolarHBondContact O-CB 3.2Å; L492-M496 WeakPolarHBondContact O-CG 3.43Å; L492-M496 PolarHBondContact O-N 2.81Å; M496-V499 HydrophobicContact CE-CG1 4.49Å; M496-V499 PolarHBondContact O-N 2.92Å; M496-E500 WeakPolarHBondContact O-CB 3.3Å; M496-E500 PolarHBondContact O-N 3.21Å; M496-A547 HydrophobicContact CE-CB 3.87Å
497	T	95.5	Very high	96.5	Very high	39 Å²	39	47.4 Å²	47.4	24%	0.239	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-43.4	172.2	-53.6	0	0	0	0	110.7	L493 Y495 V499 E500 E501	L493-T497 VanDerWaalsContact O-CB 3.3Å; L493-T497 WeakPolarHBondContact O-CB 3.28Å; L493-T497 PolarHBondContact O-N 3.22Å; L493-T497 PolarHBondContact O-OG1 2.99Å; Y495-T497 VanDerWaalsContact C-N 3.33Å; Y495-T497 PolarHBondContact O-N 2.7Å; T497-V499 PolarHBondContact O-N 3.42Å; T497-E500 PolarHBondContact O-N 2.96Å; T497-E501 WeakPolarHBondContact O-CB 3.44Å; T497-E501 WeakPolarHBondContact O-CG 3.33Å; T497-E501 PolarHBondContact O-N 3.4Å
498	A	97.2	Very high	96.6	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-34.9	177.3	0	0	0	0	0	113	L494 Y495 K502 L589	L494-A498 WeakPolarHBondContact O-CB 3.43Å; L494-A498 PolarHBondContact O-N 3.39Å; Y495-A498 WeakPolarHBondContact O-CB 3.44Å; Y495-A498 PolarHBondContact O-N 3.4Å; Y495-A498 VanDerWaalsContact O-N 3.14Å; A498-K502 VanDerWaalsContact O-CG 3.29Å; A498-K502 WeakPolarHBondContact O-CG 3.43Å; A498-K502 PolarHBondContact O-N 2.88Å; A498-L589 HydrophobicContact CB-CD1 4.48Å; A498-L589 HydrophobicContact CB-CD2 4.39Å
499	V	98.1	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-48.4	171.4	168.1	0	0	0	0	110.1	L468 Y495 M496 T497 E501 K502 Y503 I548 V551 L589	L468-V499 HydrophobicContact CD2-CG1 4.14Å; Y495-V499 HydrophobicContact CD1-CG2 4.03Å; Y495-V499 HydrophobicContact CE1-CG2 3.48Å; Y495-V499 VanDerWaalsContact CE1-CG2 3.48Å; Y495-V499 HydrophobicContact CE2-CG2 4.09Å; Y495-V499 WeakPolarHBondContact O-CG2 3.32Å; Y495-V499 PolarHBondContact O-N 3.33Å; M496-V499 HydrophobicContact CE-CG1 4.49Å; M496-V499 PolarHBondContact O-N 2.92Å; T497-V499 PolarHBondContact O-N 3.42Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 3.21Å; V499-K502 WeakPolarHBondContact O-CA 3.35Å; V499-K502 WeakPolarHBondContact O-CB 3.34Å; V499-K502 PolarHBondContact O-N 3.19Å; V499-Y503 HydrophobicContact CG1-CD2 4.37Å; V499-Y503 HydrophobicContact CG1-CE2 3.95Å; V499-Y503 WeakPolarHBondContact O-CD2 3.47Å; V499-Y503 PolarHBondContact O-N 3.48Å; V499-I548 HydrophobicContact CG1-CG2 4.17Å; V499-I548 HydrophobicContact CG2-CG2 4.29Å; V499-V551 HydrophobicContact CG1-CB 4.44Å; V499-V551 HydrophobicContact CG1-CG2 4.05Å; V499-L589 HydrophobicContact CB-CD1 4.4Å; V499-L589 HydrophobicContact CG2-CD1 3.69Å
500	E	96.8	Very high	97	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-36.2	-178.9	-172.6	155.9	-154.1	0	0	112.5	N466 P467 L468 T469 M496 T497 K502 Y503 R511	N466-E500 VanDerWaalsContact CA-CD 3.42Å; N466-E500 WeakPolarHBondContact CA-OE1 3.41Å; N466-E500 VanDerWaalsContact CA-OE2 3.27Å; N466-E500 WeakPolarHBondContact CA-OE2 3.39Å; N466-E500 VanDerWaalsContact CB-OE2 3.24Å; N466-E500 WeakPolarHBondContact CB-OE2 3.43Å; P467-E500 WeakPolarHBondContact CD-OE1 3.36Å; P467-E500 WeakPolarHBondContact CG-OE1 3.48Å; L468-E500 HydrophobicContact CB-CG 4.26Å; L468-E500 WeakPolarHBondContact CB-OE1 3.4Å; L468-E500 HydrophobicContact CD2-CB 4.43Å; L468-E500 PolarHBondContact N-OE1 3.03Å; T469-E500 WeakPolarHBondContact CB-OE2 3.49Å; T469-E500 PolarHBondContact N-OE2 3.31Å; T469-E500 PolarHBondContact OG1-OE2 3.25Å; M496-E500 WeakPolarHBondContact O-CB 3.3Å; M496-E500 PolarHBondContact O-N 3.21Å; T497-E500 PolarHBondContact O-N 2.96Å; E500-K502 PolarHBondContact O-N 2.94Å; E500-Y503 PolarHBondContact O-N 3.31Å; E500-R511 HydrophobicContact CG-CB 3.81Å; E500-R511 VanDerWaalsContact CG-CD 3.44Å; E500-R511 HydrophobicContact CG-CG 4.24Å; E500-R511 WeakPolarHBondContact OE1-CD 3.35Å
501	E	96.6	Very high	97.1	Very high	154 Å²	154	38.5 Å²	38.5	72%	0.72	19%	0.192	S	C	*	.	H	α-helix	trans	-66.5	-20.7	171.7	-75.1	177	-177.1	0	0	113.8	T497 V499	T497-E501 WeakPolarHBondContact O-CB 3.44Å; T497-E501 WeakPolarHBondContact O-CG 3.33Å; T497-E501 PolarHBondContact O-N 3.4Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 3.21Å
502	K	97.8	Very high	97.2	Very high	105 Å²	105	38 Å²	38	46%	0.457	19%	0.189	S	C	.	.	H	α-helix	trans	-90	-8	176.8	-71	-67	-179.4	-172.3	0	113.5	A498 V499 E500 N504 V551 G552 I585 L589	A498-K502 VanDerWaalsContact O-CG 3.29Å; A498-K502 WeakPolarHBondContact O-CG 3.43Å; A498-K502 PolarHBondContact O-N 2.88Å; V499-K502 WeakPolarHBondContact O-CA 3.35Å; V499-K502 WeakPolarHBondContact O-CB 3.34Å; V499-K502 PolarHBondContact O-N 3.19Å; E500-K502 PolarHBondContact O-N 2.94Å; K502-N504 PolarHBondContact O-N 2.91Å; K502-V551 HydrophobicContact CB-CG2 3.55Å; K502-G552 WeakPolarHBondContact O-CA 3.31Å; K502-G552 PolarHBondContact O-N 3.16Å; K502-G552 VanDerWaalsContact O-N 3.14Å; K502-I585 HydrophobicContact CB-CG2 4.31Å; K502-I585 HydrophobicContact CG-CG2 4.28Å; K502-L589 HydrophobicContact CG-CD1 4.26Å; K502-L589 HydrophobicContact CG-CD2 4.49Å
503	Y	98.3	Very high	97.4	Very high	8 Å²	8	38 Å²	38	3%	0.031	19%	0.189	C	C	.	.	S	Bend	trans	-74.1	121.6	166.2	-85.3	-84.1	0	0	0	109.9	L468 V499 E500 N510 R511 A514 A547 D550 V551	L468-Y503 HydrophobicContact CD2-CD2 4.03Å; L468-Y503 HydrophobicContact CD2-CE2 3.69Å; V499-Y503 HydrophobicContact CG1-CD2 4.37Å; V499-Y503 HydrophobicContact CG1-CE2 3.95Å; V499-Y503 WeakPolarHBondContact O-CD2 3.47Å; V499-Y503 PolarHBondContact O-N 3.48Å; E500-Y503 PolarHBondContact O-N 3.31Å; Y503-N510 VanDerWaalsContact CD1-C 3.44Å; Y503-R511 HydrophobicContact CD2-CB 4.41Å; Y503-R511 HydrophobicContact CG-CB 4.2Å; Y503-A514 HydrophobicContact CE1-CB 3.87Å; Y503-A514 HydrophobicContact CE2-CB 3.94Å; Y503-A514 VanDerWaalsContact CZ-CB 3.43Å; Y503-A514 VanDerWaalsContact OH-CB 3.28Å; Y503-A514 WeakPolarHBondContact OH-CB 3.27Å; Y503-A547 PolarHBondContact OH-O 3.09Å; Y503-D550 VanDerWaalsContact CE1-C 3.41Å; Y503-D550 HydrophobicContact CE1-CB 3.63Å; Y503-D550 VanDerWaalsContact CE1-O 3.31Å; Y503-D550 WeakPolarHBondContact CE1-O 3.15Å; Y503-D550 PolarHBondContact OH-N 3.42Å; Y503-V551 HydrophobicContact CD2-CB 4.37Å; Y503-V551 HydrophobicContact CD2-CG2 4.14Å; Y503-V551 HydrophobicContact CE2-CB 3.85Å; Y503-V551 HydrophobicContact CE2-CG2 4.06Å; Y503-V551 PolarHBondContact OH-N 3.08Å
504	N	96.7	Very high	97.5	Very high	71 Å²	71	36.5 Å²	36.5	38%	0.38	18%	0.182	S	C	.	.			trans	-67.6	152.9	173.9	-65.9	-37.9	0	0	0	109.8	K502 N506 N510 H553	K502-N504 PolarHBondContact O-N 2.91Å; N504-N506 PolarHBondContact O-N 3.45Å; N504-N510 WeakPolarHBondContact O-CB 3.35Å; N504-H553 PolarHBondContact ND2-O 2.81Å
505	N	95.9	Very high	97.7	Very high	136 Å²	136	33.5 Å²	33.5	73%	0.727	17%	0.166	S	C	*	.			trans	-78	50.8	175.1	-70.7	-32.5	0	0	0	111.2	R511	N505-R511 PolarHBondContact OD1-NH2 3.19Å
506	N	97.6	Very high	97.7	Very high	23 Å²	23	33.6 Å²	33.6	12%	0.123	17%	0.167	C	C	.	.			trans	-70.4	157.1	173.2	-54.3	-37.6	0	0	0	110	N504 Y508 H509 N510 H553 E688	N504-N506 PolarHBondContact O-N 3.45Å; N506-Y508 PolarHBondContact O-N 2.65Å; N506-H509 PolarHBondContact ND2-O 2.85Å; N506-N510 WeakPolarHBondContact O-CB 3.29Å; N506-N510 PolarHBondContact O-ND2 3.07Å; N506-H553 PolarHBondContact ND2-O 3.23Å; N506-E688 VanDerWaalsContact CB-OE2 3.26Å; N506-E688 WeakPolarHBondContact CB-OE2 3.36Å
507	P	98.1	Very high	97.8	Very high	21 Å²	21	33.6 Å²	33.6	14%	0.136	17%	0.167	C	C	.	.	S	Bend	trans	-58.5	-42.8	177.7	-24.5	34.2	0	0	0	114	N510 R684 E687 E688	P507-N510 PolarHBondContact O-ND2 2.87Å; P507-N510 VanDerWaalsContact O-ND2 3.14Å; P507-R684 WeakPolarHBondContact CB-O 3.41Å; P507-R684 WeakPolarHBondContact O-CB 3.47Å; P507-R684 WeakPolarHBondContact O-CD 3.35Å; P507-R684 WeakPolarHBondContact O-CG 3.26Å; P507-R684 PolarHBondContact O-NH1 3.29Å; P507-R684 VanDerWaalsContact O-NH1 3.15Å; P507-E687 HydrophobicContact CB-CB 4.11Å; P507-E687 HydrophobicContact CB-CG 4Å; P507-E687 HydrophobicContact CG-CB 4.36Å; P507-E687 HydrophobicContact CG-CG 3.8Å; P507-E688 HydrophobicContact CB-CB 4.1Å; P507-E688 HydrophobicContact CG-CB 4.1Å
508	Y	98.6	Very high	97.9	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.055	16%	0.155	C	C	.	.	S	Bend	trans	-111.8	-64.3	-176.7	-178.4	-90.4	0	0	0	113	N506 N510 H513 N670 W681 R684 V685 E688	N506-Y508 PolarHBondContact O-N 2.65Å; Y508-N510 PolarHBondContact O-N 2.89Å; Y508-N510 PolarHBondContact O-ND2 3.32Å; Y508-H513 AromaticContact CE1-CD2 3.98Å; Y508-H513 AromaticContact CE1-CE1 3.85Å; Y508-H513 AromaticContact CE1-ND1 3.95Å; Y508-H513 AromaticContact CE1-NE2 3.86Å; Y508-H513 AromaticContact CZ-CE1 3.71Å; Y508-H513 AromaticContact CZ-ND1 3.68Å; Y508-H513 WeakPolarHBondContact O-CB 3.42Å; Y508-H513 PolarHBondContact OH-CE1 3.02Å; Y508-H513 PolarHBondContact OH-ND1 3.23Å; Y508-N670 VanDerWaalsContact CE2-ND2 3.25Å; Y508-N670 WeakPolarHBondContact CE2-ND2 3.34Å; Y508-N670 PolarHBondContact OH-ND2 2.96Å; Y508-W681 AromaticContact CD2-CE3 3.78Å; Y508-W681 HydrophobicContact CD2-CE3 3.78Å; Y508-W681 HydrophobicContact CD2-CZ3 4.26Å; Y508-W681 HydrophobicContact CE2-CD2 4.45Å; Y508-W681 AromaticContact CE2-CE3 3.75Å; Y508-W681 HydrophobicContact CE2-CE3 3.75Å; Y508-W681 HydrophobicContact CE2-CZ3 4.36Å; Y508-R684 HydrophobicContact CD2-CB 4.31Å; Y508-V685 HydrophobicContact CD2-CB 3.64Å; Y508-V685 HydrophobicContact CD2-CG2 4.27Å; Y508-V685 HydrophobicContact CE2-CB 4.13Å; Y508-V685 HydrophobicContact CG-CB 3.97Å; Y508-V685 HydrophobicContact CG-CG2 4.25Å; Y508-E688 WeakPolarHBondContact CA-OE2 3.5Å; Y508-E688 WeakPolarHBondContact CB-OE2 3.23Å; Y508-E688 PolarHBondContact N-OE2 3.33Å
509	H	98.7	Very high	98	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.199	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	74.5	-174.8	-60.6	100.3	0	0	0	110.7	N506 D550 H553 E688	N506-H509 PolarHBondContact ND2-O 2.85Å; H509-D550 IonicContact CD2-OD2 2.78Å; H509-D550 PolarHBondContact CD2-OD2 3.17Å; H509-D550 VanDerWaalsContact CD2-OD2 3.29Å; H509-H553 HydrophobicContact CB-CB 3.85Å; H509-H553 WeakPolarHBondContact CB-ND1 3.45Å; H509-H553 AromaticContact CE1-CE1 3.87Å; H509-H553 AromaticContact CG-CE1 3.64Å; H509-H553 AromaticContact CG-CG 3.89Å; H509-H553 AromaticContact CG-ND1 3.61Å; H509-H553 AromaticContact CG-NE2 3.94Å; H509-H553 AromaticContact ND1-CE1 3.33Å; H509-H553 PolarHBondContact ND1-CE1 3.45Å; H509-H553 VanDerWaalsContact ND1-CE1 3.33Å; H509-H553 AromaticContact ND1-ND1 3.65Å; H509-H553 AromaticContact ND1-NE2 3.85Å; H509-E688 IonicContact CE1-OE1 3.45Å; H509-E688 IonicContact CG-OE1 3.95Å; H509-E688 PolarHBondContact N-OE2 3.37Å; H509-E688 IonicContact ND1-OE1 2.89Å; H509-E688 PolarHBondContact ND1-OE1 2.95Å; H509-E688 IonicContact ND1-OE2 2.67Å
510	N	98.3	Very high	98	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.059	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-178.8	-176.5	65.1	43.9	0	0	0	110.8	Y503 N504 N506 P507 Y508 V512 H513 A514	Y503-N510 VanDerWaalsContact CD1-C 3.44Å; N504-N510 WeakPolarHBondContact O-CB 3.35Å; N506-N510 WeakPolarHBondContact O-CB 3.29Å; N506-N510 PolarHBondContact O-ND2 3.07Å; P507-N510 PolarHBondContact O-ND2 2.87Å; P507-N510 VanDerWaalsContact O-ND2 3.14Å; Y508-N510 PolarHBondContact O-N 2.89Å; Y508-N510 PolarHBondContact O-ND2 3.32Å; N510-V512 PolarHBondContact O-N 3.22Å; N510-V512 WeakPolarHBondContact OD1-CA 3.47Å; N510-V512 VanDerWaalsContact OD1-CB 3.24Å; N510-V512 WeakPolarHBondContact OD1-CB 3.34Å; N510-V512 PolarHBondContact OD1-N 2.97Å; N510-H513 PolarHBondContact O-N 3.42Å; N510-H513 VanDerWaalsContact O-N 3.15Å; N510-H513 PolarHBondContact OD1-N 3.39Å; N510-A514 PolarHBondContact O-N 2.98Å; N510-A514 VanDerWaalsContact O-N 3.17Å
511	R	97.7	Very high	98.1	Very high	59 Å²	59	31 Å²	31	22%	0.223	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-26.8	-179.4	57.9	-172	148	86.4	13.4	114.9	D461 T465 P467 L468 E500 Y503 N505 A515	D461-R511 IonicContact OD1-NH1 3.85Å; D461-R511 PolarHBondContact OD1-NH1 3.46Å; T465-R511 PolarHBondContact O-NH1 3.4Å; P467-R511 HydrophobicContact CG-CG 4.23Å; L468-R511 HydrophobicContact CB-CB 4.35Å; E500-R511 HydrophobicContact CG-CB 3.81Å; E500-R511 VanDerWaalsContact CG-CD 3.44Å; E500-R511 HydrophobicContact CG-CG 4.24Å; E500-R511 WeakPolarHBondContact OE1-CD 3.35Å; Y503-R511 HydrophobicContact CD2-CB 4.41Å; Y503-R511 HydrophobicContact CG-CB 4.2Å; N505-R511 PolarHBondContact OD1-NH2 3.19Å; R511-A515 WeakPolarHBondContact O-CB 3.49Å; R511-A515 PolarHBondContact O-N 3.41Å
512	V	98.2	Very high	98.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-71.9	-42.7	177.7	-171.3	0	0	0	0	110.2	I457 F458 D461 P467 N510 A515 D516 W681	I457-V512 HydrophobicContact CG1-CG1 4.18Å; I457-V512 HydrophobicContact CG2-CG1 4.11Å; F458-V512 HydrophobicContact CD1-CG1 4.06Å; F458-V512 HydrophobicContact CE1-CG1 4.24Å; D461-V512 HydrophobicContact CB-CG1 4.27Å; D461-V512 HydrophobicContact CB-CG2 3.78Å; D461-V512 VanDerWaalsContact CG-CG2 3.4Å; P467-V512 HydrophobicContact CG-CG2 4.29Å; N510-V512 PolarHBondContact O-N 3.22Å; N510-V512 WeakPolarHBondContact OD1-CA 3.47Å; N510-V512 VanDerWaalsContact OD1-CB 3.24Å; N510-V512 WeakPolarHBondContact OD1-CB 3.34Å; N510-V512 PolarHBondContact OD1-N 2.97Å; V512-A515 WeakPolarHBondContact O-CB 3.21Å; V512-A515 PolarHBondContact O-N 3.14Å; V512-D516 PolarHBondContact O-N 3.42Å; V512-W681 HydrophobicContact CB-CH2 4.26Å; V512-W681 HydrophobicContact CG1-CH2 3.92Å; V512-W681 HydrophobicContact CG1-CZ2 4.38Å
513	H	98.7	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-46.9	175.2	172.3	57.2	0	0	0	110.9	Y508 N510 A515 D516 V517 H549 D550 D667 W681	Y508-H513 AromaticContact CE1-CD2 3.98Å; Y508-H513 AromaticContact CE1-CE1 3.85Å; Y508-H513 AromaticContact CE1-ND1 3.95Å; Y508-H513 AromaticContact CE1-NE2 3.86Å; Y508-H513 AromaticContact CZ-CE1 3.71Å; Y508-H513 AromaticContact CZ-ND1 3.68Å; Y508-H513 WeakPolarHBondContact O-CB 3.42Å; Y508-H513 PolarHBondContact OH-CE1 3.02Å; Y508-H513 PolarHBondContact OH-ND1 3.23Å; N510-H513 PolarHBondContact O-N 3.42Å; N510-H513 VanDerWaalsContact O-N 3.15Å; N510-H513 PolarHBondContact OD1-N 3.39Å; H513-A515 VanDerWaalsContact C-N 3.27Å; H513-A515 PolarHBondContact O-N 3.43Å; H513-D516 WeakPolarHBondContact O-CB 3.31Å; H513-D516 PolarHBondContact O-N 3.34Å; H513-V517 VanDerWaalsContact CE1-CG2 3.48Å; H513-V517 WeakPolarHBondContact CE1-CG2 3.35Å; H513-V517 WeakPolarHBondContact O-CG2 3.46Å; H513-V517 PolarHBondContact O-N 2.96Å; H513-H549 AromaticContact NE2-CE1 3.84Å; H513-H549 AromaticContact NE2-NE2 3.46Å; H513-H549 PolarHBondContact NE2-NE2 2.78Å; H513-D550 IonicContact CD2-OD2 2.86Å; H513-D550 PolarHBondContact CD2-OD2 3.26Å; H513-D550 IonicContact NE2-OD2 3.68Å; H513-D550 PolarHBondContact NE2-OD2 3.44Å; H513-D667 IonicContact CE1-OD1 3.23Å; H513-D667 PolarHBondContact CE1-OD1 3.14Å; H513-D667 IonicContact NE2-OD1 3.07Å; H513-D667 PolarHBondContact NE2-OD1 3.24Å; H513-W681 HydrophobicContact CB-CH2 3.95Å; H513-W681 HydrophobicContact CB-CZ3 3.99Å
514	A	98.7	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-39.5	174.7	0	0	0	0	0	112.9	L468 Y503 N510 V517 V518	L468-A514 HydrophobicContact CD1-CB 4Å; L468-A514 HydrophobicContact CD2-CB 4.06Å; Y503-A514 HydrophobicContact CE1-CB 3.87Å; Y503-A514 HydrophobicContact CE2-CB 3.94Å; Y503-A514 VanDerWaalsContact CZ-CB 3.43Å; Y503-A514 VanDerWaalsContact OH-CB 3.28Å; Y503-A514 WeakPolarHBondContact OH-CB 3.27Å; N510-A514 PolarHBondContact O-N 2.98Å; N510-A514 VanDerWaalsContact O-N 3.17Å; A514-V517 PolarHBondContact O-N 3.02Å; A514-V518 VanDerWaalsContact O-CG2 3.27Å; A514-V518 WeakPolarHBondContact O-CG2 3.07Å; A514-V518 PolarHBondContact O-N 3.33Å
515	A	98.4	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.8	-39.6	176.2	0	0	0	0	0	112	I457 P467 L468 I471 R511 V512 H513 V518 Q519	I457-A515 HydrophobicContact CD1-CB 3.85Å; I457-A515 HydrophobicContact CG1-CB 4.13Å; P467-A515 HydrophobicContact CB-CB 4.42Å; L468-A515 HydrophobicContact CB-CB 4.26Å; L468-A515 HydrophobicContact CD1-CB 4.41Å; I471-A515 HydrophobicContact CB-CB 4.46Å; I471-A515 HydrophobicContact CG1-CB 4.37Å; R511-A515 WeakPolarHBondContact O-CB 3.49Å; R511-A515 PolarHBondContact O-N 3.41Å; V512-A515 WeakPolarHBondContact O-CB 3.21Å; V512-A515 PolarHBondContact O-N 3.14Å; H513-A515 VanDerWaalsContact C-N 3.27Å; H513-A515 PolarHBondContact O-N 3.43Å; A515-V518 PolarHBondContact O-N 2.78Å; A515-Q519 PolarHBondContact O-N 3.12Å
516	D	98.7	Very high	98.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-43.8	175.6	-171.2	41.1	0	0	0	111.9	I457 V512 H513 Q519 S520 K673 W681	I457-D516 HydrophobicContact CB-CB 4.5Å; I457-D516 HydrophobicContact CG1-CB 4.17Å; I457-D516 HydrophobicContact CG2-CB 4.14Å; V512-D516 PolarHBondContact O-N 3.42Å; H513-D516 WeakPolarHBondContact O-CB 3.31Å; H513-D516 PolarHBondContact O-N 3.34Å; D516-Q519 PolarHBondContact O-N 3.4Å; D516-S520 VanDerWaalsContact O-CB 3.22Å; D516-S520 WeakPolarHBondContact O-CB 3.49Å; D516-S520 PolarHBondContact O-N 3.44Å; D516-S520 PolarHBondContact O-OG 2.91Å; D516-K673 IonicContact OD1-NZ 3.75Å; D516-K673 PolarHBondContact OD1-NZ 2.9Å; D516-K673 IonicContact OD2-NZ 2.78Å; D516-K673 PolarHBondContact OD2-NZ 3.38Å; D516-W681 HydrophobicContact CB-CZ2 3.87Å
517	V	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-44.4	177	-179.2	0	0	0	0	110.8	H513 A514 Q519 S520 T521 C546 A666	H513-V517 VanDerWaalsContact CE1-CG2 3.48Å; H513-V517 WeakPolarHBondContact CE1-CG2 3.35Å; H513-V517 WeakPolarHBondContact O-CG2 3.46Å; H513-V517 PolarHBondContact O-N 2.96Å; A514-V517 PolarHBondContact O-N 3.02Å; V517-Q519 PolarHBondContact O-N 2.93Å; V517-S520 PolarHBondContact O-N 2.93Å; V517-T521 WeakPolarHBondContact O-CB 3.36Å; V517-T521 PolarHBondContact O-N 2.93Å; V517-T521 PolarHBondContact O-OG1 2.9Å; V517-C546 HydrophobicContact CG1-CB 3.89Å; V517-A666 HydrophobicContact CG1-CB 3.88Å
518	V	98.8	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-46.1	175.5	170.7	0	0	0	0	111.5	L468 I471 F472 I475 A514 A515 H522 L543 C546 A547	L468-V518 HydrophobicContact CD1-CG2 4.07Å; I471-V518 HydrophobicContact CG2-CB 4.43Å; I471-V518 HydrophobicContact CG2-CG1 4.07Å; F472-V518 HydrophobicContact CD2-CG1 4.09Å; F472-V518 HydrophobicContact CD2-CG2 4.44Å; I475-V518 HydrophobicContact CD1-CG1 3.83Å; A514-V518 VanDerWaalsContact O-CG2 3.27Å; A514-V518 WeakPolarHBondContact O-CG2 3.07Å; A514-V518 PolarHBondContact O-N 3.33Å; A515-V518 PolarHBondContact O-N 2.78Å; V518-H522 PolarHBondContact O-N 3.36Å; V518-L543 HydrophobicContact CG1-CD2 4.35Å; V518-C546 HydrophobicContact CB-CB 4.44Å; V518-C546 HydrophobicContact CG2-CB 3.72Å; V518-A547 VanDerWaalsContact CG2-CA 3.47Å; V518-A547 HydrophobicContact CG2-CB 3.66Å
519	Q	98.5	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.5	-40	-179.9	-170.6	-87.3	-14.1	0	0	112	L450 L452 I455 I471 I475 A515 D516 V517 T521 H522 V523	L450-Q519 HydrophobicContact CD1-CG 4.21Å; L450-Q519 PolarHBondContact O-NE2 2.89Å; L452-Q519 PolarHBondContact O-NE2 3.44Å; I455-Q519 HydrophobicContact CG2-CB 4.44Å; I455-Q519 HydrophobicContact CG2-CG 3.76Å; I455-Q519 VanDerWaalsContact CG2-OE1 3.29Å; I471-Q519 HydrophobicContact CG2-CB 3.94Å; I475-Q519 HydrophobicContact CD1-CB 4.45Å; A515-Q519 PolarHBondContact O-N 3.12Å; D516-Q519 PolarHBondContact O-N 3.4Å; V517-Q519 PolarHBondContact O-N 2.93Å; Q519-T521 PolarHBondContact O-N 3.33Å; Q519-H522 WeakPolarHBondContact O-CA 3.22Å; Q519-H522 VanDerWaalsContact O-CB 3.29Å; Q519-H522 WeakPolarHBondContact O-CB 3.35Å; Q519-H522 PolarHBondContact O-N 3.02Å; Q519-H522 VanDerWaalsContact O-N 3.09Å; Q519-V523 VanDerWaalsContact NE2-CG2 3.33Å; Q519-V523 PolarHBondContact O-N 3.25Å
520	S	98.7	Very high	96.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-48.2	176.7	-60.2	0	0	0	0	110.5	D516 V517 H522 V523 L524 K673	D516-S520 VanDerWaalsContact O-CB 3.22Å; D516-S520 WeakPolarHBondContact O-CB 3.49Å; D516-S520 PolarHBondContact O-N 3.44Å; D516-S520 PolarHBondContact O-OG 2.91Å; V517-S520 PolarHBondContact O-N 2.93Å; S520-H522 VanDerWaalsContact C-N 3.29Å; S520-H522 PolarHBondContact O-N 3.36Å; S520-V523 PolarHBondContact O-N 2.84Å; S520-V523 VanDerWaalsContact O-N 3.11Å; S520-L524 WeakPolarHBondContact O-CG 3.43Å; S520-L524 PolarHBondContact O-N 3.27Å; S520-K673 WeakPolarHBondContact OG-CE 3.05Å; S520-K673 PolarHBondContact OG-NZ 3.31Å
521	T	98.7	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-38.8	173.4	-59	0	0	0	0	112.1	V517 Q519 V523 L524 L525 V542 L543 C546 M662 A666	V517-T521 WeakPolarHBondContact O-CB 3.36Å; V517-T521 PolarHBondContact O-N 2.93Å; V517-T521 PolarHBondContact O-OG1 2.9Å; Q519-T521 PolarHBondContact O-N 3.33Å; T521-V523 VanDerWaalsContact C-N 3.3Å; T521-V523 PolarHBondContact O-N 3.4Å; T521-L524 PolarHBondContact O-N 2.86Å; T521-L525 HydrophobicContact CG2-CD1 4.2Å; T521-L525 HydrophobicContact CG2-CG 4.45Å; T521-L525 WeakPolarHBondContact O-CB 3.45Å; T521-L525 VanDerWaalsContact O-CG 3.32Å; T521-L525 WeakPolarHBondContact O-CG 3.45Å; T521-L525 PolarHBondContact O-N 3.18Å; T521-V542 HydrophobicContact CG2-CG1 4.22Å; T521-V542 HydrophobicContact CG2-CG2 3.84Å; T521-L543 HydrophobicContact CG2-CD2 4.44Å; T521-C546 PolarHBondContact OG1-SG 3.28Å; T521-M662 HydrophobicContact CG2-CG 4.27Å; T521-M662 HydrophobicContact CG2-SD 3.89Å; T521-A666 WeakPolarHBondContact OG1-CB 3.48Å
522	H	98.2	Very high	95.5	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-41.5	174.8	170.6	88.2	0	0	0	112.3	D451 I475 R479 V518 Q519 S520 N526 L543	D451-H522 IonicContact OD1-NE2 2.83Å; D451-H522 PolarHBondContact OD1-NE2 2.88Å; D451-H522 VanDerWaalsContact OD1-NE2 3.13Å; I475-H522 HydrophobicContact CD1-CB 3.69Å; I475-H522 HydrophobicContact CG1-CB 4.13Å; I475-H522 HydrophobicContact CG2-CB 4.15Å; I475-H522 VanDerWaalsContact CG2-ND1 3.29Å; I475-H522 WeakPolarHBondContact CG2-ND1 3.32Å; R479-H522 PolarHBondContact NE-CE1 2.8Å; R479-H522 PolarHBondContact NE-ND1 2.73Å; R479-H522 PolarHBondContact NH2-CE1 2.96Å; R479-H522 VanDerWaalsContact NH2-CE1 3.35Å; R479-H522 PolarHBondContact NH2-ND1 3.3Å; R479-H522 VanDerWaalsContact NH2-ND1 3.17Å; R479-H522 PolarHBondContact NH2-O 3.19Å; V518-H522 PolarHBondContact O-N 3.36Å; Q519-H522 WeakPolarHBondContact O-CA 3.22Å; Q519-H522 VanDerWaalsContact O-CB 3.29Å; Q519-H522 WeakPolarHBondContact O-CB 3.35Å; Q519-H522 PolarHBondContact O-N 3.02Å; Q519-H522 VanDerWaalsContact O-N 3.09Å; S520-H522 VanDerWaalsContact C-N 3.29Å; S520-H522 PolarHBondContact O-N 3.36Å; H522-N526 PolarHBondContact O-ND2 3.26Å; H522-L543 HydrophobicContact CB-CD2 4.19Å
523	V	97.9	Very high	95.1	Very high	23 Å²	23	26.5 Å²	26.5	14%	0.139	15%	0.146	C	C	.	.	H	α-helix	trans	-68.9	-43.8	176.6	179	0	0	0	0	111	W453 Q519 S520 T521 L525 N526	W453-V523 HydrophobicContact CB-CG1 4.36Å; W453-V523 HydrophobicContact CE3-CB 4.06Å; W453-V523 HydrophobicContact CE3-CG1 3.96Å; Q519-V523 VanDerWaalsContact NE2-CG2 3.33Å; Q519-V523 PolarHBondContact O-N 3.25Å; S520-V523 PolarHBondContact O-N 2.84Å; S520-V523 VanDerWaalsContact O-N 3.11Å; T521-V523 VanDerWaalsContact C-N 3.3Å; T521-V523 PolarHBondContact O-N 3.4Å; V523-L525 VanDerWaalsContact C-N 3.28Å; V523-L525 PolarHBondContact O-N 3.17Å; V523-N526 WeakPolarHBondContact O-CB 3.47Å; V523-N526 PolarHBondContact O-N 2.78Å
524	L	97.6	Very high	94.9	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-35.1	179	-66.4	-178.6	0	0	0	113.1	W453 S520 T521 N526 A527 M662 C665 A666 W730 W733 I744	W453-L524 HydrophobicContact CZ3-CD2 4.1Å; W453-L524 HydrophobicContact CZ3-CG 4.12Å; S520-L524 WeakPolarHBondContact O-CG 3.43Å; S520-L524 PolarHBondContact O-N 3.27Å; T521-L524 PolarHBondContact O-N 2.86Å; L524-N526 PolarHBondContact O-N 2.93Å; L524-A527 WeakPolarHBondContact O-CB 3.34Å; L524-A527 PolarHBondContact O-N 3.15Å; L524-M662 HydrophobicContact CB-CG 3.94Å; L524-M662 HydrophobicContact CB-SD 4.25Å; L524-M662 HydrophobicContact CD1-CG 3.96Å; L524-C665 HydrophobicContact CD1-CB 4.22Å; L524-A666 HydrophobicContact CD1-CB 4.4Å; L524-W730 HydrophobicContact CD1-CH2 4.25Å; L524-W730 HydrophobicContact CD2-CH2 4.01Å; L524-W730 HydrophobicContact CD2-CZ3 4.07Å; L524-W733 HydrophobicContact CB-CZ2 4.21Å; L524-W733 HydrophobicContact CD1-CZ2 4.36Å; L524-W733 HydrophobicContact CD2-CZ2 4.43Å; L524-I744 HydrophobicContact CD2-CD1 4.14Å
525	L	96.8	Very high	94.7	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.079	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.2	173.8	-77.7	167	0	0	0	113.9	T521 V523 F534 I539 V542 L543 M662	T521-L525 HydrophobicContact CG2-CD1 4.2Å; T521-L525 HydrophobicContact CG2-CG 4.45Å; T521-L525 WeakPolarHBondContact O-CB 3.45Å; T521-L525 VanDerWaalsContact O-CG 3.32Å; T521-L525 WeakPolarHBondContact O-CG 3.45Å; T521-L525 PolarHBondContact O-N 3.18Å; V523-L525 VanDerWaalsContact C-N 3.28Å; V523-L525 PolarHBondContact O-N 3.17Å; L525-F534 HydrophobicContact CD2-CD2 3.97Å; L525-F534 HydrophobicContact CD2-CE2 4.35Å; L525-I539 HydrophobicContact CD1-CG2 4.2Å; L525-I539 HydrophobicContact CD2-CG1 4.39Å; L525-V542 HydrophobicContact CD1-CG1 3.98Å; L525-V542 HydrophobicContact CD2-CG1 4.41Å; L525-L543 HydrophobicContact CD1-CD2 4.33Å; L525-L543 HydrophobicContact CD1-CG 4.37Å; L525-M662 HydrophobicContact CD2-CE 3.86Å; L525-M662 HydrophobicContact CD2-SD 3.7Å; L525-M662 HydrophobicContact CG-CE 4.26Å; L525-M662 HydrophobicContact CG-SD 3.67Å
526	N	94.6	Very high	94.6	Very high	77 Å²	77	33.6 Å²	33.6	41%	0.412	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.1	-179.7	-62	-25	0	0	0	113.1	R479 H522 V523 L524 Q528	R479-N526 PolarHBondContact NH2-OD1 3.46Å; H522-N526 PolarHBondContact O-ND2 3.26Å; V523-N526 WeakPolarHBondContact O-CB 3.47Å; V523-N526 PolarHBondContact O-N 2.78Å; L524-N526 PolarHBondContact O-N 2.93Å; N526-Q528 PolarHBondContact O-N 3.03Å
527	A	93.3	Very high	94.5	Very high	10 Å²	10	34 Å²	34	8%	0.083	19%	0.187	C	C	.	.			trans	-57.6	132.8	174.9	0	0	0	0	0	110.9	L524 S529 L530 E531 V737 D740	L524-A527 WeakPolarHBondContact O-CB 3.34Å; L524-A527 PolarHBondContact O-N 3.15Å; A527-S529 PolarHBondContact O-N 3.24Å; A527-L530 HydrophobicContact CB-CB 4.5Å; A527-L530 HydrophobicContact CB-CD1 4.2Å; A527-L530 HydrophobicContact CB-CG 4.26Å; A527-L530 PolarHBondContact O-N 3.02Å; A527-E531 PolarHBondContact O-N 3.44Å; A527-V737 HydrophobicContact CB-CB 4.22Å; A527-V737 HydrophobicContact CB-CG1 4.44Å; A527-D740 WeakPolarHBondContact CA-OD2 3.47Å; A527-D740 HydrophobicContact CB-CB 3.92Å
528	Q	90.7	Very high	94.4	Very high	134 Å²	134	34.2 Å²	34.2	63%	0.626	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-61.3	-36.4	-176.8	-175.2	175.7	25.1	0	0	111.7	N526 L530 E531 D740	N526-Q528 PolarHBondContact O-N 3.03Å; Q528-L530 PolarHBondContact O-N 3.48Å; Q528-E531 VanDerWaalsContact O-CB 3.26Å; Q528-E531 WeakPolarHBondContact O-CB 3.38Å; Q528-E531 PolarHBondContact O-N 3.03Å; Q528-E531 VanDerWaalsContact O-N 3.11Å; Q528-D740 PolarHBondContact N-OD2 3.47Å
529	S	86.9	Confident	94.4	Very high	8 Å²	8	35.4 Å²	35.4	6%	0.056	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-63.9	-17.4	176.8	57.4	0	0	0	0	114.3	A527 V737	A527-S529 PolarHBondContact O-N 3.24Å; S529-V737 WeakPolarHBondContact OG-CA 3.47Å; S529-V737 VanDerWaalsContact OG-CB 3.27Å; S529-V737 WeakPolarHBondContact OG-CB 3.38Å
530	L	90.3	Very high	94.4	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-105.3	3.4	178.2	-58.1	179	0	0	0	112.7	A527 Q528 S532 V533 F534 L647 I658 M662 W733 V737	A527-L530 HydrophobicContact CB-CB 4.5Å; A527-L530 HydrophobicContact CB-CD1 4.2Å; A527-L530 HydrophobicContact CB-CG 4.26Å; A527-L530 PolarHBondContact O-N 3.02Å; Q528-L530 PolarHBondContact O-N 3.48Å; L530-S532 PolarHBondContact O-N 3.02Å; L530-V533 WeakPolarHBondContact O-CB 3.43Å; L530-V533 PolarHBondContact O-N 2.65Å; L530-V533 VanDerWaalsContact O-N 3.16Å; L530-F534 HydrophobicContact CB-CE2 4.29Å; L530-F534 HydrophobicContact CD1-CE2 4.25Å; L530-F534 HydrophobicContact CD2-CE2 4.3Å; L530-L647 HydrophobicContact CD2-CD1 3.8Å; L530-I658 HydrophobicContact CD2-CD1 4.42Å; L530-I658 HydrophobicContact CD2-CG2 4.42Å; L530-M662 HydrophobicContact CD1-CE 3.6Å; L530-W733 HydrophobicContact CD1-CH2 4.23Å; L530-W733 HydrophobicContact CD1-CZ2 4.21Å; L530-V737 HydrophobicContact CD1-CG1 4.03Å; L530-V737 HydrophobicContact CD2-CG1 4.45Å; L530-V737 HydrophobicContact CG-CG1 4.13Å
531	E	86.9	Confident	94.3	Very high	134 Å²	134	35.4 Å²	35.4	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	128	177.2	-171	175.9	-170.5	0	0	110.1	A527 Q528 V533	A527-E531 PolarHBondContact O-N 3.44Å; Q528-E531 VanDerWaalsContact O-CB 3.26Å; Q528-E531 WeakPolarHBondContact O-CB 3.38Å; Q528-E531 PolarHBondContact O-N 3.03Å; Q528-E531 VanDerWaalsContact O-N 3.11Å; E531-V533 PolarHBondContact O-N 3.33Å; E531-V533 VanDerWaalsContact O-N 3.12Å
532	S	85.6	Confident	94.3	Very high	119 Å²	119	35.4 Å²	35.4	83%	0.832	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	6.7	-178.1	72.9	0	0	0	0	117.2	L530	L530-S532 PolarHBondContact O-N 3.02Å
533	V	89.8	Confident	94.4	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.115	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.5	177.8	175.6	0	0	0	0	111.7	L530 E531 L647 L649 R655	L530-V533 WeakPolarHBondContact O-CB 3.43Å; L530-V533 PolarHBondContact O-N 2.65Å; L530-V533 VanDerWaalsContact O-N 3.16Å; E531-V533 PolarHBondContact O-N 3.33Å; E531-V533 VanDerWaalsContact O-N 3.12Å; V533-L647 HydrophobicContact CG2-CB 4.49Å; V533-L647 WeakPolarHBondContact CG2-O 3.46Å; V533-L649 HydrophobicContact CG1-CB 4.37Å; V533-L649 HydrophobicContact CG1-CD1 3.81Å; V533-L649 HydrophobicContact CG1-CG 4.42Å; V533-R655 HydrophobicContact CG1-CG 4.46Å; V533-R655 VanDerWaalsContact O-CD 3.26Å; V533-R655 WeakPolarHBondContact O-CD 3.48Å
534	F	94.3	Very high	94.4	Very high	20 Å²	20	34.1 Å²	34.1	9%	0.088	19%	0.187	C	C	.	.	S	Bend	trans	-101.9	139.8	-176.7	-56.2	-64.1	0	0	0	112.2	L525 L530 E538 I539 R655 I658 L659 M662	L525-F534 HydrophobicContact CD2-CD2 3.97Å; L525-F534 HydrophobicContact CD2-CE2 4.35Å; L530-F534 HydrophobicContact CB-CE2 4.29Å; L530-F534 HydrophobicContact CD1-CE2 4.25Å; L530-F534 HydrophobicContact CD2-CE2 4.3Å; F534-E538 WeakPolarHBondContact CA-OE2 3.49Å; F534-E538 HydrophobicContact CB-CB 4.16Å; F534-E538 HydrophobicContact CD1-CB 4.5Å; F534-I539 HydrophobicContact CB-CD1 4.49Å; F534-I539 HydrophobicContact CB-CG1 3.97Å; F534-R655 HydrophobicContact CD1-CB 4.46Å; F534-R655 HydrophobicContact CE1-CB 4.17Å; F534-I658 HydrophobicContact CZ-CB 4.03Å; F534-I658 HydrophobicContact CZ-CG2 3.7Å; F534-L659 HydrophobicContact CD1-CD1 4.22Å; F534-L659 HydrophobicContact CD1-CD2 3.77Å; F534-L659 HydrophobicContact CD1-CG 4.01Å; F534-L659 HydrophobicContact CD2-CD2 4.41Å; F534-L659 HydrophobicContact CE1-CD1 4.22Å; F534-L659 HydrophobicContact CE1-CD2 3.58Å; F534-L659 HydrophobicContact CE1-CG 3.6Å; F534-L659 HydrophobicContact CE2-CD2 4.24Å; F534-L659 HydrophobicContact CG-CD2 4.19Å; F534-L659 HydrophobicContact CZ-CD2 3.83Å; F534-L659 HydrophobicContact CZ-CG 4.17Å; F534-M662 HydrophobicContact CE2-CE 3.92Å; F534-M662 HydrophobicContact CZ-CE 4.41Å
535	T	94.8	Very high	94.5	Very high	67 Å²	67	33.8 Å²	33.8	41%	0.411	19%	0.185	S	C	.	.			trans	-68.8	157.1	168.6	64.3	0	0	0	0	110.9	L537 E538 I539	T535-L537 PolarHBondContact O-N 3.46Å; T535-L537 VanDerWaalsContact O-N 3.1Å; T535-E538 WeakPolarHBondContact CB-OE2 3.34Å; T535-E538 WeakPolarHBondContact CG2-OE2 3.05Å; T535-E538 PolarHBondContact N-OE2 3.47Å; T535-E538 PolarHBondContact O-N 3.04Å; T535-E538 VanDerWaalsContact O-N 3.13Å; T535-E538 VanDerWaalsContact OG1-CD 3.27Å; T535-E538 WeakPolarHBondContact OG1-CG 3.24Å; T535-E538 PolarHBondContact OG1-N 3.25Å; T535-E538 PolarHBondContact OG1-OE2 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.46Å; T535-I539 PolarHBondContact O-N 3.26Å
536	D	96.4	Very high	94.6	Very high	62 Å²	62	33 Å²	33	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-56.3	-29.4	173.7	-71.9	-45.2	0	0	0	112.6	L481 K484 F485 F540	L481-D536 HydrophobicContact CD2-CB 4.23Å; K484-D536 HydrophobicContact CD-CB 4.28Å; K484-D536 WeakPolarHBondContact CD-OD2 3.27Å; K484-D536 WeakPolarHBondContact CE-OD2 3.2Å; K484-D536 IonicContact NZ-OD1 2.88Å; K484-D536 PolarHBondContact NZ-OD1 3.34Å; K484-D536 IonicContact NZ-OD2 2.63Å; K484-D536 PolarHBondContact NZ-OD2 3.15Å; F485-D536 HydrophobicContact CE2-CB 3.93Å; F485-D536 WeakPolarHBondContact CE2-O 3.46Å; F485-D536 VanDerWaalsContact CZ-C 3.47Å; F485-D536 HydrophobicContact CZ-CB 3.73Å; D536-F540 WeakPolarHBondContact O-CB 3.26Å; D536-F540 PolarHBondContact O-N 2.9Å
537	L	96.8	Very high	94.8	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-47.2	179.5	-171.3	71.7	0	0	0	110.2	L235 F485 T535 I539 F540 T541 F601 Q605 S609 M612	L235-L537 HydrophobicContact CD1-CD2 3.61Å; F485-L537 HydrophobicContact CD1-CD1 4.48Å; F485-L537 HydrophobicContact CE1-CB 4.35Å; F485-L537 HydrophobicContact CE1-CD1 3.79Å; F485-L537 HydrophobicContact CZ-CB 4.05Å; F485-L537 HydrophobicContact CZ-CD1 4.05Å; T535-L537 PolarHBondContact O-N 3.46Å; T535-L537 VanDerWaalsContact O-N 3.1Å; L537-I539 VanDerWaalsContact C-N 3.34Å; L537-I539 PolarHBondContact O-N 2.78Å; L537-F540 PolarHBondContact O-N 3.09Å; L537-T541 WeakPolarHBondContact O-CB 3.33Å; L537-T541 WeakPolarHBondContact O-CG2 3.49Å; L537-T541 PolarHBondContact O-N 3.02Å; L537-T541 PolarHBondContact O-OG1 3.32Å; L537-F601 HydrophobicContact CD1-CD2 4.11Å; L537-F601 HydrophobicContact CD1-CE2 3.64Å; L537-Q605 HydrophobicContact CD1-CB 4.36Å; L537-Q605 HydrophobicContact CD2-CB 4.23Å; L537-Q605 HydrophobicContact CD2-CG 4.2Å; L537-S609 WeakPolarHBondContact CD1-OG 3.39Å; L537-M612 HydrophobicContact CD2-CE 3.94Å; L537-M612 HydrophobicContact CG-CE 3.97Å
538	E	97.3	Very high	95	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.2	-76.1	157.6	158.5	0	0	110.4	F534 T535 F540 T541 V542 M612 R655 L659	F534-E538 WeakPolarHBondContact CA-OE2 3.49Å; F534-E538 HydrophobicContact CB-CB 4.16Å; F534-E538 HydrophobicContact CD1-CB 4.5Å; T535-E538 WeakPolarHBondContact CB-OE2 3.34Å; T535-E538 WeakPolarHBondContact CG2-OE2 3.05Å; T535-E538 PolarHBondContact N-OE2 3.47Å; T535-E538 PolarHBondContact O-N 3.04Å; T535-E538 VanDerWaalsContact O-N 3.13Å; T535-E538 VanDerWaalsContact OG1-CD 3.27Å; T535-E538 WeakPolarHBondContact OG1-CG 3.24Å; T535-E538 PolarHBondContact OG1-N 3.25Å; T535-E538 PolarHBondContact OG1-OE2 3.29Å; E538-F540 PolarHBondContact O-N 3.44Å; E538-T541 WeakPolarHBondContact CA-OG1 3.24Å; E538-T541 PolarHBondContact O-N 3.49Å; E538-T541 PolarHBondContact O-OG1 3.25Å; E538-V542 WeakPolarHBondContact O-CG1 3.2Å; E538-V542 PolarHBondContact O-N 3.44Å; E538-M612 HydrophobicContact CG-CE 4.21Å; E538-M612 HydrophobicContact CG-SD 3.61Å; E538-R655 IonicContact OE1-CZ 2.68Å; E538-R655 IonicContact OE1-NE 3.35Å; E538-R655 PolarHBondContact OE1-NE 3.35Å; E538-R655 IonicContact OE1-NH2 2.64Å; E538-R655 PolarHBondContact OE1-NH2 2.95Å; E538-R655 IonicContact OE2-NE 2.58Å; E538-L659 HydrophobicContact CB-CD1 4.02Å; E538-L659 HydrophobicContact CG-CD1 4.1Å
539	I	98	Very high	95.4	Very high	24 Å²	24	22.5 Å²	22.5	12%	0.123	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-47.6	176.5	-66.3	172	0	0	0	111.8	L481 L525 F534 T535 L537 T541 V542 L543	L481-I539 HydrophobicContact CD1-CG2 4.06Å; L525-I539 HydrophobicContact CD1-CG2 4.2Å; L525-I539 HydrophobicContact CD2-CG1 4.39Å; F534-I539 HydrophobicContact CB-CD1 4.49Å; F534-I539 HydrophobicContact CB-CG1 3.97Å; T535-I539 WeakPolarHBondContact O-CG1 3.46Å; T535-I539 PolarHBondContact O-N 3.26Å; L537-I539 VanDerWaalsContact C-N 3.34Å; L537-I539 PolarHBondContact O-N 2.78Å; I539-T541 VanDerWaalsContact C-N 3.32Å; I539-T541 PolarHBondContact O-N 3.06Å; I539-V542 VanDerWaalsContact O-CG1 3.3Å; I539-V542 WeakPolarHBondContact O-CG1 3.25Å; I539-L543 HydrophobicContact CG2-CD1 4.19Å; I539-L543 WeakPolarHBondContact O-CD1 3.39Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3Å
540	F	98.2	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-42.2	177.6	179.2	-106.6	0	0	0	111.4	F472 V476 L481 F485 I487 D536 L537 E538 F544 V597 F598 F601	F472-F540 HydrophobicContact CZ-CE2 4.2Å; V476-F540 HydrophobicContact CG1-CD2 4.38Å; V476-F540 HydrophobicContact CG1-CE2 4.18Å; V476-F540 HydrophobicContact CG2-CD2 4.39Å; V476-F540 HydrophobicContact CG2-CE2 4.31Å; L481-F540 HydrophobicContact CB-CD2 4.28Å; L481-F540 HydrophobicContact CD1-CB 4.13Å; L481-F540 HydrophobicContact CD1-CD2 4.15Å; F485-F540 HydrophobicContact CD2-CB 4.37Å; F485-F540 HydrophobicContact CE2-CB 4Å; I487-F540 HydrophobicContact CD1-CD2 4.12Å; I487-F540 HydrophobicContact CD1-CE1 4.16Å; I487-F540 HydrophobicContact CD1-CE2 3.52Å; I487-F540 HydrophobicContact CD1-CZ 3.55Å; D536-F540 WeakPolarHBondContact O-CB 3.26Å; D536-F540 PolarHBondContact O-N 2.9Å; L537-F540 PolarHBondContact O-N 3.09Å; E538-F540 PolarHBondContact O-N 3.44Å; F540-F544 HydrophobicContact CE1-CD2 4.41Å; F540-F544 HydrophobicContact CZ-CD2 4.22Å; F540-F544 WeakPolarHBondContact O-CB 3.48Å; F540-F544 PolarHBondContact O-N 2.87Å; F540-V597 HydrophobicContact CZ-CG1 3.8Å; F540-F598 HydrophobicContact CD1-CE1 4.29Å; F540-F598 HydrophobicContact CE1-CD1 4.26Å; F540-F598 AromaticContact CE1-CE1 3.62Å; F540-F598 HydrophobicContact CE1-CE1 3.62Å; F540-F598 HydrophobicContact CE1-CZ 4.29Å; F540-F601 HydrophobicContact CD1-CE2 4.33Å; F540-F601 HydrophobicContact CD1-CZ 4.02Å; F540-F601 HydrophobicContact CE1-CE2 4.47Å; F540-F601 AromaticContact CE1-CZ 3.96Å; F540-F601 HydrophobicContact CE1-CZ 3.96Å
541	T	98.3	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.4	-33.1	-175.5	54.7	0	0	0	0	113.7	L537 E538 I539 F544 A545 S609 M612 I613 M616	L537-T541 WeakPolarHBondContact O-CB 3.33Å; L537-T541 WeakPolarHBondContact O-CG2 3.49Å; L537-T541 PolarHBondContact O-N 3.02Å; L537-T541 PolarHBondContact O-OG1 3.32Å; E538-T541 WeakPolarHBondContact CA-OG1 3.24Å; E538-T541 PolarHBondContact O-N 3.49Å; E538-T541 PolarHBondContact O-OG1 3.25Å; I539-T541 VanDerWaalsContact C-N 3.32Å; I539-T541 PolarHBondContact O-N 3.06Å; T541-F544 PolarHBondContact O-N 3.13Å; T541-A545 WeakPolarHBondContact O-CB 3.13Å; T541-A545 PolarHBondContact O-N 3.02Å; T541-S609 WeakPolarHBondContact CG2-OG 3.47Å; T541-M612 HydrophobicContact CG2-CE 3.91Å; T541-M612 WeakPolarHBondContact OG1-CE 3.35Å; T541-I613 HydrophobicContact CG2-CD1 4.34Å; T541-I613 HydrophobicContact CG2-CG1 4.38Å; T541-M616 WeakPolarHBondContact O-CE 3.48Å
542	V	98.7	Very high	96.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.5	-43.7	176.1	68.2	0	0	0	0	110.5	T521 L525 E538 I539 F544 A545 C546 M616 L659 V663	T521-V542 HydrophobicContact CG2-CG1 4.22Å; T521-V542 HydrophobicContact CG2-CG2 3.84Å; L525-V542 HydrophobicContact CD1-CG1 3.98Å; L525-V542 HydrophobicContact CD2-CG1 4.41Å; E538-V542 WeakPolarHBondContact O-CG1 3.2Å; E538-V542 PolarHBondContact O-N 3.44Å; I539-V542 VanDerWaalsContact O-CG1 3.3Å; I539-V542 WeakPolarHBondContact O-CG1 3.25Å; V542-F544 VanDerWaalsContact C-N 3.31Å; V542-F544 PolarHBondContact O-N 3.44Å; V542-A545 PolarHBondContact O-N 3.4Å; V542-C546 PolarHBondContact O-N 3.24Å; V542-C546 PolarHBondContact O-SG 3.4Å; V542-M616 HydrophobicContact CB-CE 4.16Å; V542-M616 HydrophobicContact CB-SD 3.71Å; V542-M616 HydrophobicContact CG2-SD 3.63Å; V542-L659 HydrophobicContact CB-CD2 4.11Å; V542-L659 HydrophobicContact CG1-CD2 4.26Å; V542-L659 HydrophobicContact CG2-CD2 4.19Å; V542-V663 HydrophobicContact CG2-CG2 3.45Å; V542-V663 VanDerWaalsContact CG2-CG2 3.45Å
543	L	98.7	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-43.1	173.9	-67.2	168.4	0	0	0	111.1	F472 I475 L481 V518 T521 H522 L525 I539 C546 A547	F472-L543 HydrophobicContact CE2-CB 4.1Å; F472-L543 WeakPolarHBondContact CE2-O 3.39Å; I475-L543 HydrophobicContact CG2-CD1 3.6Å; I475-L543 HydrophobicContact CG2-CD2 3.99Å; I475-L543 HydrophobicContact CG2-CG 4.43Å; L481-L543 HydrophobicContact CD1-CD1 4.12Å; V518-L543 HydrophobicContact CG1-CD2 4.35Å; T521-L543 HydrophobicContact CG2-CD2 4.44Å; H522-L543 HydrophobicContact CB-CD2 4.19Å; L525-L543 HydrophobicContact CD1-CD2 4.33Å; L525-L543 HydrophobicContact CD1-CG 4.37Å; I539-L543 HydrophobicContact CG2-CD1 4.19Å; I539-L543 WeakPolarHBondContact O-CD1 3.39Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3Å; L543-C546 PolarHBondContact O-N 3.16Å; L543-A547 PolarHBondContact O-N 3.12Å
544	F	98.7	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-43	176.7	-171.3	-80.5	0	0	0	111.5	F472 Y495 F540 T541 V542 A547 I548 L590 F598 I613	F472-F544 HydrophobicContact CZ-CB 4.44Å; F472-F544 HydrophobicContact CZ-CD2 4.35Å; Y495-F544 HydrophobicContact CD1-CE2 4.02Å; Y495-F544 HydrophobicContact CD1-CZ 4.37Å; Y495-F544 HydrophobicContact CE1-CD2 4.42Å; Y495-F544 HydrophobicContact CE1-CE1 4.4Å; Y495-F544 AromaticContact CE1-CE2 3.35Å; Y495-F544 HydrophobicContact CE1-CE2 3.35Å; Y495-F544 AromaticContact CE1-CZ 3.36Å; Y495-F544 HydrophobicContact CE1-CZ 3.36Å; Y495-F544 HydrophobicContact CE2-CZ 4.41Å; Y495-F544 AromaticContact CZ-CE2 3.9Å; Y495-F544 AromaticContact CZ-CZ 3.4Å; Y495-F544 WeakPolarHBondContact OH-CZ 3.46Å; F540-F544 HydrophobicContact CE1-CD2 4.41Å; F540-F544 HydrophobicContact CZ-CD2 4.22Å; F540-F544 WeakPolarHBondContact O-CB 3.48Å; F540-F544 PolarHBondContact O-N 2.87Å; T541-F544 PolarHBondContact O-N 3.13Å; V542-F544 VanDerWaalsContact C-N 3.31Å; V542-F544 PolarHBondContact O-N 3.44Å; F544-A547 PolarHBondContact O-N 3.28Å; F544-I548 HydrophobicContact CD1-CD1 4.27Å; F544-I548 HydrophobicContact CD1-CG2 4.48Å; F544-I548 HydrophobicContact CE1-CD1 4.04Å; F544-I548 HydrophobicContact CE1-CG2 4.2Å; F544-I548 WeakPolarHBondContact O-CG1 3.26Å; F544-I548 PolarHBondContact O-N 2.62Å; F544-L590 HydrophobicContact CZ-CD2 4.49Å; F544-F598 HydrophobicContact CD1-CZ 4.3Å; F544-F598 HydrophobicContact CD2-CZ 4.08Å; F544-F598 HydrophobicContact CE1-CE2 4.23Å; F544-F598 HydrophobicContact CE1-CZ 4.07Å; F544-F598 AromaticContact CE2-CE2 3.98Å; F544-F598 HydrophobicContact CE2-CE2 3.98Å; F544-F598 AromaticContact CE2-CZ 3.83Å; F544-F598 HydrophobicContact CE2-CZ 3.83Å; F544-F598 HydrophobicContact CG-CZ 4.29Å; F544-F598 AromaticContact CZ-CE2 3.71Å; F544-F598 HydrophobicContact CZ-CE2 3.71Å; F544-F598 AromaticContact CZ-CZ 3.8Å; F544-F598 HydrophobicContact CZ-CZ 3.8Å; F544-I613 HydrophobicContact CB-CD1 4.49Å; F544-I613 HydrophobicContact CD1-CD1 3.52Å; F544-I613 HydrophobicContact CD1-CG1 4.13Å; F544-I613 HydrophobicContact CD1-CG2 4.36Å; F544-I613 HydrophobicContact CE1-CD1 3.96Å; F544-I613 HydrophobicContact CG-CD1 4.19Å
545	A	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-48.1	176	0	0	0	0	0	111.4	T541 V542 A547 I548 H549 I613 M616 V617	T541-A545 WeakPolarHBondContact O-CB 3.13Å; T541-A545 PolarHBondContact O-N 3.02Å; V542-A545 PolarHBondContact O-N 3.4Å; A545-A547 PolarHBondContact O-N 3.13Å; A545-I548 WeakPolarHBondContact O-CG1 3.43Å; A545-I548 PolarHBondContact O-N 2.91Å; A545-I548 VanDerWaalsContact O-N 3.11Å; A545-H549 WeakPolarHBondContact O-CB 3.46Å; A545-H549 PolarHBondContact O-N 3.11Å; A545-I613 HydrophobicContact CB-CG2 4.36Å; A545-M616 HydrophobicContact CB-CB 4Å; A545-M616 HydrophobicContact CB-CE 3.91Å; A545-M616 HydrophobicContact CB-SD 4.48Å; A545-V617 HydrophobicContact CB-CG2 4.01Å
546	C	98.8	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.6	-39	175.1	-63.2	0	0	0	0	112.5	V517 V518 T521 V542 L543 I548 H549	V517-C546 HydrophobicContact CG1-CB 3.89Å; V518-C546 HydrophobicContact CB-CB 4.44Å; V518-C546 HydrophobicContact CG2-CB 3.72Å; T521-C546 PolarHBondContact OG1-SG 3.28Å; V542-C546 PolarHBondContact O-N 3.24Å; V542-C546 PolarHBondContact O-SG 3.4Å; L543-C546 PolarHBondContact O-N 3.16Å; C546-I548 PolarHBondContact O-N 3.46Å; C546-H549 PolarHBondContact O-ND1 3.42Å
547	A	98.8	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69.7	-18.6	-178.2	0	0	0	0	0	114.1	L468 F472 M496 Y503 V518 L543 F544 A545	L468-A547 HydrophobicContact CD1-CB 4.1Å; F472-A547 HydrophobicContact CD2-CB 3.65Å; F472-A547 HydrophobicContact CE2-CB 3.9Å; M496-A547 HydrophobicContact CE-CB 3.87Å; Y503-A547 PolarHBondContact OH-O 3.09Å; V518-A547 VanDerWaalsContact CG2-CA 3.47Å; V518-A547 HydrophobicContact CG2-CB 3.66Å; L543-A547 PolarHBondContact O-N 3.12Å; F544-A547 PolarHBondContact O-N 3.28Å; A545-A547 PolarHBondContact O-N 3.13Å
548	I	98.8	Very high	98.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-117.4	-4.2	-177.3	67.8	160	0	0	0	113.6	V499 F544 A545 C546 D550 V551 L583 A586 I613 V617	V499-I548 HydrophobicContact CG1-CG2 4.17Å; V499-I548 HydrophobicContact CG2-CG2 4.29Å; F544-I548 HydrophobicContact CD1-CD1 4.27Å; F544-I548 HydrophobicContact CD1-CG2 4.48Å; F544-I548 HydrophobicContact CE1-CD1 4.04Å; F544-I548 HydrophobicContact CE1-CG2 4.2Å; F544-I548 WeakPolarHBondContact O-CG1 3.26Å; F544-I548 PolarHBondContact O-N 2.62Å; A545-I548 WeakPolarHBondContact O-CG1 3.43Å; A545-I548 PolarHBondContact O-N 2.91Å; A545-I548 VanDerWaalsContact O-N 3.11Å; C546-I548 PolarHBondContact O-N 3.46Å; I548-D550 PolarHBondContact O-N 3.1Å; I548-V551 HydrophobicContact CB-CG1 4.3Å; I548-V551 VanDerWaalsContact O-CG1 3.3Å; I548-V551 WeakPolarHBondContact O-CG1 3.39Å; I548-V551 PolarHBondContact O-N 2.92Å; I548-V551 VanDerWaalsContact O-N 3.09Å; I548-L583 HydrophobicContact CD1-CD2 4.34Å; I548-A586 HydrophobicContact CB-CB 3.8Å; I548-A586 HydrophobicContact CD1-CB 3.41Å; I548-A586 VanDerWaalsContact CD1-CB 3.41Å; I548-A586 HydrophobicContact CG1-CB 4.19Å; I548-A586 HydrophobicContact CG2-CB 3.89Å; I548-I613 HydrophobicContact CD1-CG2 3.75Å; I548-V617 HydrophobicContact CD1-CG2 4.3Å; I548-V617 HydrophobicContact CG1-CG2 4.19Å
549	H	98.8	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.1	-163.7	77.5	-73.5	0	0	0	113.6	H513 A545 C546 H582 V617 T620 D667	H513-H549 AromaticContact NE2-CE1 3.84Å; H513-H549 AromaticContact NE2-NE2 3.46Å; H513-H549 PolarHBondContact NE2-NE2 2.78Å; A545-H549 WeakPolarHBondContact O-CB 3.46Å; A545-H549 PolarHBondContact O-N 3.11Å; C546-H549 PolarHBondContact O-ND1 3.42Å; H549-H582 VanDerWaalsContact O-CB 3.32Å; H549-H582 WeakPolarHBondContact O-CB 3.38Å; H549-H582 PolarHBondContact O-CD2 3.38Å; H549-V617 HydrophobicContact CB-CG1 4.37Å; H549-V617 HydrophobicContact CB-CG2 4.33Å; H549-T620 HydrophobicContact CB-CG2 4.35Å; H549-D667 IonicContact NE2-OD1 3.77Å
550	D	98.8	Very high	98.4	Very high	11 Å²	11	14 Å²	14	6%	0.059	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	12.8	-179.5	-86.5	-22.3	0	0	0	114.4	Y503 H509 H513 I548 G552 H553 H582	Y503-D550 VanDerWaalsContact CE1-C 3.41Å; Y503-D550 HydrophobicContact CE1-CB 3.63Å; Y503-D550 VanDerWaalsContact CE1-O 3.31Å; Y503-D550 WeakPolarHBondContact CE1-O 3.15Å; Y503-D550 PolarHBondContact OH-N 3.42Å; H509-D550 IonicContact CD2-OD2 2.78Å; H509-D550 PolarHBondContact CD2-OD2 3.17Å; H509-D550 VanDerWaalsContact CD2-OD2 3.29Å; H513-D550 IonicContact CD2-OD2 2.86Å; H513-D550 PolarHBondContact CD2-OD2 3.26Å; H513-D550 IonicContact NE2-OD2 3.68Å; H513-D550 PolarHBondContact NE2-OD2 3.44Å; I548-D550 PolarHBondContact O-N 3.1Å; D550-G552 PolarHBondContact O-N 3.3Å; D550-H553 VanDerWaalsContact O-CB 3.32Å; D550-H553 WeakPolarHBondContact O-CB 3.27Å; D550-H553 PolarHBondContact O-N 3.02Å; D550-H582 IonicContact OD1-NE2 2.69Å
551	V	98.5	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.6	-174.1	69.2	0	0	0	0	110.9	V499 K502 Y503 I548 H582 I585 A586	V499-V551 HydrophobicContact CG1-CB 4.44Å; V499-V551 HydrophobicContact CG1-CG2 4.05Å; K502-V551 HydrophobicContact CB-CG2 3.55Å; Y503-V551 HydrophobicContact CD2-CB 4.37Å; Y503-V551 HydrophobicContact CD2-CG2 4.14Å; Y503-V551 HydrophobicContact CE2-CB 3.85Å; Y503-V551 HydrophobicContact CE2-CG2 4.06Å; Y503-V551 PolarHBondContact OH-N 3.08Å; I548-V551 HydrophobicContact CB-CG1 4.3Å; I548-V551 VanDerWaalsContact O-CG1 3.3Å; I548-V551 WeakPolarHBondContact O-CG1 3.39Å; I548-V551 PolarHBondContact O-N 2.92Å; I548-V551 VanDerWaalsContact O-N 3.09Å; V551-H582 HydrophobicContact CG1-CB 4.31Å; V551-H582 VanDerWaalsContact CG1-O 3.28Å; V551-H582 WeakPolarHBondContact CG1-O 3.33Å; V551-H582 PolarHBondContact O-ND1 2.63Å; V551-I585 HydrophobicContact CG1-CB 4.17Å; V551-I585 HydrophobicContact CG1-CG2 4.07Å; V551-I585 HydrophobicContact CG2-CG2 4.1Å; V551-A586 HydrophobicContact CG1-CB 4.14Å
552	G	98	Very high	98.3	Very high	11 Å²	11	16.2 Å²	16.2	11%	0.113	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	12.4	-176.6	0	0	0	0	0	115.5	K502 D550	K502-G552 WeakPolarHBondContact O-CA 3.31Å; K502-G552 PolarHBondContact O-N 3.16Å; K502-G552 VanDerWaalsContact O-N 3.14Å; D550-G552 PolarHBondContact O-N 3.3Å
553	H	98.6	Very high	98.2	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	11%	0.111	C	C	.	.			trans	-55	127.3	176.9	-165.2	-86.1	0	0	0	112	N504 N506 H509 D550 G555 V556 H582 E688	N504-H553 PolarHBondContact ND2-O 2.81Å; N506-H553 PolarHBondContact ND2-O 3.23Å; H509-H553 HydrophobicContact CB-CB 3.85Å; H509-H553 WeakPolarHBondContact CB-ND1 3.45Å; H509-H553 AromaticContact CE1-CE1 3.87Å; H509-H553 AromaticContact CG-CE1 3.64Å; H509-H553 AromaticContact CG-CG 3.89Å; H509-H553 AromaticContact CG-ND1 3.61Å; H509-H553 AromaticContact CG-NE2 3.94Å; H509-H553 AromaticContact ND1-CE1 3.33Å; H509-H553 PolarHBondContact ND1-CE1 3.45Å; H509-H553 VanDerWaalsContact ND1-CE1 3.33Å; H509-H553 AromaticContact ND1-ND1 3.65Å; H509-H553 AromaticContact ND1-NE2 3.85Å; D550-H553 VanDerWaalsContact O-CB 3.32Å; D550-H553 WeakPolarHBondContact O-CB 3.27Å; D550-H553 PolarHBondContact O-N 3.02Å; H553-G555 VanDerWaalsContact C-N 3.28Å; H553-G555 WeakPolarHBondContact ND1-CA 3.32Å; H553-G555 PolarHBondContact ND1-N 2.83Å; H553-G555 PolarHBondContact O-N 3.22Å; H553-V556 PolarHBondContact CE1-O 3.1Å; H553-H582 AromaticContact CD2-CE1 3.9Å; H553-H582 AromaticContact CD2-NE2 3.83Å; H553-E688 IonicContact CE1-OE1 3.36Å; H553-E688 IonicContact ND1-OE1 2.7Å
554	P	98.2	Very high	98.1	Very high	41 Å²	41	22.3 Å²	22.3	27%	0.266	12%	0.123	S	C	.	.			trans	-82.9	0.4	-176.3	31.8	-34.6	0	0	0	114.6	V556 L578	P554-V556 HydrophobicContact CB-CG2 4.15Å; P554-V556 HydrophobicContact CG-CG2 3.7Å; P554-L578 HydrophobicContact CG-CD2 3.79Å
555	G	98	Very high	98	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	78.3	29.1	-178.3	0	0	0	0	0	113.6	H553 E688	H553-G555 VanDerWaalsContact C-N 3.28Å; H553-G555 WeakPolarHBondContact ND1-CA 3.32Å; H553-G555 PolarHBondContact ND1-N 2.83Å; H553-G555 PolarHBondContact O-N 3.22Å; G555-E688 VanDerWaalsContact CA-OE1 3.26Å; G555-E688 WeakPolarHBondContact CA-OE1 3.24Å
556	V	98.1	Very high	97.9	Very high	6 Å²	6	31 Å²	31	4%	0.036	17%	0.169	C	C	.	.	S	Bend	trans	-146.8	154.3	178.2	-64.9	0	0	0	0	109.5	H553 P554 Y560 L561 L578 Q692 K695	H553-V556 PolarHBondContact CE1-O 3.1Å; P554-V556 HydrophobicContact CB-CG2 4.15Å; P554-V556 HydrophobicContact CG-CG2 3.7Å; V556-Y560 HydrophobicContact CB-CD1 3.53Å; V556-Y560 HydrophobicContact CB-CE1 4.12Å; V556-Y560 HydrophobicContact CB-CG 3.86Å; V556-Y560 HydrophobicContact CG1-CD1 3.79Å; V556-Y560 HydrophobicContact CG1-CE1 3.89Å; V556-Y560 HydrophobicContact CG1-CG 4.15Å; V556-Y560 HydrophobicContact CG2-CD1 3.52Å; V556-Y560 HydrophobicContact CG2-CE1 3.99Å; V556-Y560 HydrophobicContact CG2-CG 4.32Å; V556-L561 HydrophobicContact CG2-CD2 3.75Å; V556-L561 HydrophobicContact CG2-CG 4.13Å; V556-L578 WeakPolarHBondContact O-CD1 3.25Å; V556-Q692 VanDerWaalsContact CA-OE1 3.32Å; V556-Q692 HydrophobicContact CB-CG 4.34Å; V556-Q692 HydrophobicContact CG1-CB 4.25Å; V556-Q692 HydrophobicContact CG1-CG 4Å; V556-K695 HydrophobicContact CG1-CD 3.98Å
557	T	98	Very high	97.9	Very high	52 Å²	52	38.8 Å²	38.8	32%	0.319	21%	0.206	S	C	.	.			trans	-73.7	160.7	-178.2	59.7	0	0	0	0	113.7	Q559 Y560 L561 Q692	T557-Q559 PolarHBondContact O-N 3.26Å; T557-Y560 WeakPolarHBondContact O-CB 3.29Å; T557-Y560 PolarHBondContact O-N 3.23Å; T557-Y560 VanDerWaalsContact O-N 3.16Å; T557-Y560 PolarHBondContact OG1-N 2.91Å; T557-L561 PolarHBondContact O-N 3.16Å; T557-Q692 PolarHBondContact OG1-NE2 3.47Å; T557-Q692 PolarHBondContact OG1-OE1 3.03Å
558	N	98.1	Very high	97.8	Very high	28 Å²	28	40.3 Å²	40.3	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-50.6	-43.2	168.6	-80.6	-32.1	0	0	0	111.8	Y560 L561 I562 V577 L578 E579	N558-Y560 PolarHBondContact O-N 3.35Å; N558-L561 PolarHBondContact O-N 3.34Å; N558-I562 VanDerWaalsContact O-CG1 3.29Å; N558-I562 WeakPolarHBondContact O-CG1 3.36Å; N558-I562 PolarHBondContact O-N 3.09Å; N558-V577 WeakPolarHBondContact OD1-CB 3.33Å; N558-V577 PolarHBondContact OD1-N 2.81Å; N558-L578 VanDerWaalsContact OD1-CB 3.27Å; N558-L578 WeakPolarHBondContact OD1-CB 3.05Å; N558-L578 WeakPolarHBondContact OD1-CD1 3.46Å; N558-L578 WeakPolarHBondContact OD1-CG 3.37Å; N558-L578 PolarHBondContact OD1-N 3.28Å; N558-E579 PolarHBondContact ND2-OE1 3.39Å; N558-E579 VanDerWaalsContact ND2-OE1 3.14Å; N558-E579 PolarHBondContact ND2-OE2 2.94Å; N558-E579 VanDerWaalsContact ND2-OE2 3.07Å
559	Q	97.1	Very high	97.8	Very high	104 Å²	104	40.4 Å²	40.4	49%	0.486	21%	0.214	S	C	.	.	H	α-helix	trans	-65.5	-38.4	-179	-169.1	62.5	54.2	0	0	112.6	T557 I562 N563	T557-Q559 PolarHBondContact O-N 3.26Å; Q559-I562 PolarHBondContact O-N 3.43Å; Q559-N563 PolarHBondContact NE2-OD1 3.05Å; Q559-N563 WeakPolarHBondContact O-CB 3.35Å; Q559-N563 PolarHBondContact O-N 2.95Å; Q559-N563 PolarHBondContact O-ND2 3.16Å; Q559-N563 PolarHBondContact O-OD1 3.31Å
560	Y	97.6	Very high	97.7	Very high	27 Å²	27	45.5 Å²	45.5	11%	0.106	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-46	173.7	174.4	-84.7	0	0	0	111.2	V556 T557 N558 I562 N563 T564 Q692 K695 E696 L699 I701	V556-Y560 HydrophobicContact CB-CD1 3.53Å; V556-Y560 HydrophobicContact CB-CE1 4.12Å; V556-Y560 HydrophobicContact CB-CG 3.86Å; V556-Y560 HydrophobicContact CG1-CD1 3.79Å; V556-Y560 HydrophobicContact CG1-CE1 3.89Å; V556-Y560 HydrophobicContact CG1-CG 4.15Å; V556-Y560 HydrophobicContact CG2-CD1 3.52Å; V556-Y560 HydrophobicContact CG2-CE1 3.99Å; V556-Y560 HydrophobicContact CG2-CG 4.32Å; T557-Y560 WeakPolarHBondContact O-CB 3.29Å; T557-Y560 PolarHBondContact O-N 3.23Å; T557-Y560 VanDerWaalsContact O-N 3.16Å; T557-Y560 PolarHBondContact OG1-N 2.91Å; N558-Y560 PolarHBondContact O-N 3.35Å; Y560-I562 VanDerWaalsContact C-N 3.33Å; Y560-I562 PolarHBondContact O-N 3.47Å; Y560-N563 PolarHBondContact O-N 3.49Å; Y560-T564 HydrophobicContact CD1-CG2 4.38Å; Y560-T564 HydrophobicContact CD2-CG2 4.39Å; Y560-T564 HydrophobicContact CE1-CG2 4.03Å; Y560-T564 HydrophobicContact CE2-CG2 4.05Å; Y560-T564 WeakPolarHBondContact O-CB 3.26Å; Y560-T564 WeakPolarHBondContact O-CG2 3.46Å; Y560-T564 PolarHBondContact O-N 2.83Å; Y560-T564 PolarHBondContact O-OG1 3.3Å; Y560-Q692 HydrophobicContact CD2-CG 3.75Å; Y560-Q692 HydrophobicContact CE2-CG 4.34Å; Y560-Q692 HydrophobicContact CG-CG 4.18Å; Y560-K695 HydrophobicContact CE2-CB 4.11Å; Y560-E696 HydrophobicContact CD2-CG 3.69Å; Y560-E696 HydrophobicContact CE2-CG 3.75Å; Y560-L699 HydrophobicContact CE2-CD1 4.41Å; Y560-L699 WeakPolarHBondContact OH-CD1 2.84Å; Y560-I701 HydrophobicContact CE2-CD1 4.48Å
561	L	98.1	Very high	97.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-40.9	179	-63.4	176.9	0	0	0	112	V556 T557 N558 T564 N565 D566 L568 A569 V577 L578	V556-L561 HydrophobicContact CG2-CD2 3.75Å; V556-L561 HydrophobicContact CG2-CG 4.13Å; T557-L561 PolarHBondContact O-N 3.16Å; N558-L561 PolarHBondContact O-N 3.34Å; L561-T564 PolarHBondContact O-OG1 3.04Å; L561-N565 PolarHBondContact O-N 3.06Å; L561-D566 HydrophobicContact CB-CB 4.04Å; L561-D566 HydrophobicContact CD2-CB 3.76Å; L561-D566 WeakPolarHBondContact O-CB 3.39Å; L561-D566 PolarHBondContact O-N 2.9Å; L561-L568 HydrophobicContact CD1-CB 4.46Å; L561-L568 HydrophobicContact CD1-CD1 4.42Å; L561-A569 HydrophobicContact CB-CB 4.22Å; L561-A569 WeakPolarHBondContact O-CB 3.49Å; L561-V577 HydrophobicContact CD1-CG1 3.93Å; L561-L578 HydrophobicContact CD1-CD1 4.45Å; L561-L578 HydrophobicContact CD1-CD2 3.71Å; L561-L578 HydrophobicContact CD1-CG 3.88Å
562	I	97.4	Very high	97.6	Very high	41 Å²	41	52.4 Å²	52.4	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-50.6	176.7	-65	163.4	0	0	0	110.3	N558 Q559 Y560 T564 N565 A569 D574 V577	N558-I562 VanDerWaalsContact O-CG1 3.29Å; N558-I562 WeakPolarHBondContact O-CG1 3.36Å; N558-I562 PolarHBondContact O-N 3.09Å; Q559-I562 PolarHBondContact O-N 3.43Å; Y560-I562 VanDerWaalsContact C-N 3.33Å; Y560-I562 PolarHBondContact O-N 3.47Å; I562-T564 PolarHBondContact O-N 3.05Å; I562-N565 PolarHBondContact O-N 3.41Å; I562-A569 HydrophobicContact CG1-CB 4.08Å; I562-D574 HydrophobicContact CD1-CB 3.91Å; I562-D574 HydrophobicContact CG1-CB 3.92Å; I562-D574 HydrophobicContact CG2-CB 4.47Å; I562-V577 HydrophobicContact CG1-CG2 4.47Å
563	N	96	Very high	97.6	Very high	87 Å²	87	58.1 Å²	58.1	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-30.8	-178	-71.4	-7.3	0	0	0	112.8	Q559 Y560	Q559-N563 PolarHBondContact NE2-OD1 3.05Å; Q559-N563 WeakPolarHBondContact O-CB 3.35Å; Q559-N563 PolarHBondContact O-N 2.95Å; Q559-N563 PolarHBondContact O-ND2 3.16Å; Q559-N563 PolarHBondContact O-OD1 3.31Å; Y560-N563 PolarHBondContact O-N 3.49Å
564	T	96.6	Very high	97.6	Very high	42 Å²	42	61.9 Å²	61.9	26%	0.258	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.1	179.1	55.9	0	0	0	0	113.6	Y560 L561 I562 D566 L699 I701	Y560-T564 HydrophobicContact CD1-CG2 4.38Å; Y560-T564 HydrophobicContact CD2-CG2 4.39Å; Y560-T564 HydrophobicContact CE1-CG2 4.03Å; Y560-T564 HydrophobicContact CE2-CG2 4.05Å; Y560-T564 WeakPolarHBondContact O-CB 3.26Å; Y560-T564 WeakPolarHBondContact O-CG2 3.46Å; Y560-T564 PolarHBondContact O-N 2.83Å; Y560-T564 PolarHBondContact O-OG1 3.3Å; L561-T564 PolarHBondContact O-OG1 3.04Å; I562-T564 PolarHBondContact O-N 3.05Å; T564-D566 PolarHBondContact O-N 3.37Å; T564-L699 HydrophobicContact CG2-CD1 3.74Å; T564-I701 HydrophobicContact CG2-CD1 4.02Å
565	N	96.3	Very high	97.5	Very high	123 Å²	123	63.3 Å²	63.3	66%	0.658	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.4	-173.7	-60.7	-90.5	0	0	0	112.1	L561 I562	L561-N565 PolarHBondContact O-N 3.06Å; I562-N565 PolarHBondContact O-N 3.41Å
566	D	97.7	Very high	97.5	Very high	59 Å²	59	63.7 Å²	63.7	32%	0.316	34%	0.335	S	S	.	.			trans	-60.2	149.4	179.3	-171.9	-87.9	0	0	0	110.8	L561 T564 L568 A569 I570	L561-D566 HydrophobicContact CB-CB 4.04Å; L561-D566 HydrophobicContact CD2-CB 3.76Å; L561-D566 WeakPolarHBondContact O-CB 3.39Å; L561-D566 PolarHBondContact O-N 2.9Å; T564-D566 PolarHBondContact O-N 3.37Å; D566-L568 PolarHBondContact O-N 2.91Å; D566-L568 VanDerWaalsContact O-N 3.16Å; D566-L568 WeakPolarHBondContact OD1-CB 3.45Å; D566-L568 WeakPolarHBondContact OD1-CG 3.32Å; D566-L568 PolarHBondContact OD1-N 3.3Å; D566-A569 WeakPolarHBondContact O-CB 3.2Å; D566-A569 PolarHBondContact O-N 3.33Å; D566-I570 PolarHBondContact O-N 3.46Å; D566-I570 VanDerWaalsContact O-N 3.1Å
567	Q	97.8	Very high	97.5	Very high	164 Å²	164	63.4 Å²	63.4	77%	0.766	33%	0.334	S	S	*	.	H	α-helix	trans	-58.1	-31.8	-179.5	-66.2	-177	9.5	0	0	112.5	L571	Q567-L571 WeakPolarHBondContact O-CB 3.39Å; Q567-L571 PolarHBondContact O-N 3.36Å
568	L	97.6	Very high	97.6	Very high	32 Å²	32	61.2 Å²	61.2	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-44.3	175.3	-65.1	-178.5	0	0	0	111.5	L561 D566 I570 L571 Y572 V577	L561-L568 HydrophobicContact CD1-CB 4.46Å; L561-L568 HydrophobicContact CD1-CD1 4.42Å; D566-L568 PolarHBondContact O-N 2.91Å; D566-L568 VanDerWaalsContact O-N 3.16Å; D566-L568 WeakPolarHBondContact OD1-CB 3.45Å; D566-L568 WeakPolarHBondContact OD1-CG 3.32Å; D566-L568 PolarHBondContact OD1-N 3.3Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 3.31Å; L568-L571 PolarHBondContact O-N 2.92Å; L568-Y572 HydrophobicContact CD2-CE2 4.28Å; L568-Y572 VanDerWaalsContact O-CD2 3.27Å; L568-Y572 WeakPolarHBondContact O-CD2 3.41Å; L568-Y572 PolarHBondContact O-N 3.43Å; L568-V577 VanDerWaalsContact C-CG1 3.44Å; L568-V577 HydrophobicContact CB-CG1 3.71Å; L568-V577 WeakPolarHBondContact O-CG1 3.41Å
569	A	98	Very high	97.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-45.3	178.4	0	0	0	0	0	111	L561 I562 D566 L571 Y572 N573 D574 V577	L561-A569 HydrophobicContact CB-CB 4.22Å; L561-A569 WeakPolarHBondContact O-CB 3.49Å; I562-A569 HydrophobicContact CG1-CB 4.08Å; D566-A569 WeakPolarHBondContact O-CB 3.2Å; D566-A569 PolarHBondContact O-N 3.33Å; A569-L571 PolarHBondContact O-N 3.3Å; A569-Y572 CarbonylContact O-C 3.52Å; A569-Y572 PolarHBondContact O-N 3.03Å; A569-N573 WeakPolarHBondContact O-CA 3.43Å; A569-N573 PolarHBondContact O-N 3.46Å; A569-D574 PolarHBondContact O-N 2.85Å; A569-V577 HydrophobicContact CB-CG1 4.46Å; A569-V577 HydrophobicContact CB-CG2 4.36Å
570	I	97.8	Very high	97.7	Very high	108 Å²	108	58 Å²	58	55%	0.554	31%	0.306	S	S	*	.	H	α-helix	trans	-61.2	-45	174.3	-62	170.5	0	0	0	111.2	D566 L568 Y572 N573	D566-I570 PolarHBondContact O-N 3.46Å; D566-I570 VanDerWaalsContact O-N 3.1Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 3.31Å; I570-Y572 VanDerWaalsContact C-N 3.33Å; I570-Y572 PolarHBondContact O-N 2.69Å; I570-N573 PolarHBondContact O-N 3.01Å
571	L	97.7	Very high	97.7	Very high	111 Å²	111	58.5 Å²	58.5	58%	0.581	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-39.3	-177.9	179.6	63.2	0	0	0	112.3	Q567 L568 A569	Q567-L571 WeakPolarHBondContact O-CB 3.39Å; Q567-L571 PolarHBondContact O-N 3.36Å; L568-L571 PolarHBondContact O-N 2.92Å; A569-L571 PolarHBondContact O-N 3.3Å
572	Y	98	Very high	97.8	Very high	44 Å²	44	58.4 Å²	58.4	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-99.5	7.3	-177.6	-64	-65.5	0	0	0	113.9	L568 A569 I570 D574 S575 V577 N580 H581 A584	L568-Y572 HydrophobicContact CD2-CE2 4.28Å; L568-Y572 VanDerWaalsContact O-CD2 3.27Å; L568-Y572 WeakPolarHBondContact O-CD2 3.41Å; L568-Y572 PolarHBondContact O-N 3.43Å; A569-Y572 CarbonylContact O-C 3.52Å; A569-Y572 PolarHBondContact O-N 3.03Å; I570-Y572 VanDerWaalsContact C-N 3.33Å; I570-Y572 PolarHBondContact O-N 2.69Å; Y572-D574 VanDerWaalsContact C-N 3.3Å; Y572-D574 PolarHBondContact O-N 3.46Å; Y572-S575 PolarHBondContact O-N 2.88Å; Y572-V577 HydrophobicContact CD2-CG1 4.15Å; Y572-V577 WeakPolarHBondContact CD2-O 3.46Å; Y572-N580 HydrophobicContact CD1-CB 3.42Å; Y572-N580 VanDerWaalsContact CD1-CB 3.42Å; Y572-N580 HydrophobicContact CD2-CB 4.4Å; Y572-N580 HydrophobicContact CE1-CB 3.52Å; Y572-N580 HydrophobicContact CE2-CB 4.49Å; Y572-N580 HydrophobicContact CG-CB 3.9Å; Y572-H581 HydrophobicContact CE2-CB 3.77Å; Y572-H581 WeakPolarHBondContact OH-CA 3.32Å; Y572-A584 VanDerWaalsContact OH-CB 3.23Å; Y572-A584 WeakPolarHBondContact OH-CB 3.24Å
573	N	97.8	Very high	97.8	Very high	132 Å²	132	56.9 Å²	56.9	71%	0.706	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	47.9	177.5	-46.6	-86.5	0	0	0	111.9	A569 I570 S575	A569-N573 WeakPolarHBondContact O-CA 3.43Å; A569-N573 PolarHBondContact O-N 3.46Å; I570-N573 PolarHBondContact O-N 3.01Å; N573-S575 PolarHBondContact O-N 3.42Å
574	D	98	Very high	97.9	Very high	90 Å²	90	54.9 Å²	54.9	48%	0.481	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	8.3	175.3	-51.2	-29.1	0	0	0	116	I562 A569 Y572	I562-D574 HydrophobicContact CD1-CB 3.91Å; I562-D574 HydrophobicContact CG1-CB 3.92Å; I562-D574 HydrophobicContact CG2-CB 4.47Å; A569-D574 PolarHBondContact O-N 2.85Å; Y572-D574 VanDerWaalsContact C-N 3.3Å; Y572-D574 PolarHBondContact O-N 3.46Å
575	S	96.7	Very high	98	Very high	70 Å²	70	54.2 Å²	54.2	49%	0.49	29%	0.29	S	S	.	.	S	Bend	trans	-108.3	109.8	-176.2	179.9	0	0	0	0	111.6	Y572 N573 V577 N580	Y572-S575 PolarHBondContact O-N 2.88Å; N573-S575 PolarHBondContact O-N 3.42Å; S575-V577 VanDerWaalsContact C-N 3.3Å; S575-V577 PolarHBondContact O-N 3.44Å; S575-N580 PolarHBondContact O-ND2 3.3Å; S575-N580 VanDerWaalsContact O-ND2 3.14Å
576	S	97.7	Very high	98.1	Very high	13 Å²	13	48.4 Å²	48.4	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	48.5	54.7	178.4	-48.2	0	0	0	0	110.8	E579 N580 D621	S576-E579 WeakPolarHBondContact CA-OE2 3.45Å; S576-E579 VanDerWaalsContact CB-OE2 3.28Å; S576-E579 WeakPolarHBondContact CB-OE2 3.37Å; S576-E579 PolarHBondContact O-N 3.36Å; S576-N580 WeakPolarHBondContact O-CB 3.24Å; S576-N580 PolarHBondContact O-N 3.28Å; S576-N580 PolarHBondContact O-ND2 3.29Å; S576-D621 WeakPolarHBondContact CB-OD2 3.35Å; S576-D621 PolarHBondContact OG-OD2 3.15Å
577	V	98.6	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-50.9	-164.7	174.4	0	0	0	0	110.5	N558 L561 I562 L568 A569 Y572 S575 H581	N558-V577 WeakPolarHBondContact OD1-CB 3.33Å; N558-V577 PolarHBondContact OD1-N 2.81Å; L561-V577 HydrophobicContact CD1-CG1 3.93Å; I562-V577 HydrophobicContact CG1-CG2 4.47Å; L568-V577 VanDerWaalsContact C-CG1 3.44Å; L568-V577 HydrophobicContact CB-CG1 3.71Å; L568-V577 WeakPolarHBondContact O-CG1 3.41Å; A569-V577 HydrophobicContact CB-CG1 4.46Å; A569-V577 HydrophobicContact CB-CG2 4.36Å; Y572-V577 HydrophobicContact CD2-CG1 4.15Å; Y572-V577 WeakPolarHBondContact CD2-O 3.46Å; S575-V577 VanDerWaalsContact C-N 3.3Å; S575-V577 PolarHBondContact O-N 3.44Å; V577-H581 WeakPolarHBondContact O-CB 3.46Å; V577-H581 PolarHBondContact O-N 3.35Å; V577-H581 VanDerWaalsContact O-N 3.1Å
578	L	98.7	Very high	98.1	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-45.7	179.7	-72.8	169	0	0	0	111.5	P554 V556 N558 L561 N580 H581 H582	P554-L578 HydrophobicContact CG-CD2 3.79Å; V556-L578 WeakPolarHBondContact O-CD1 3.25Å; N558-L578 VanDerWaalsContact OD1-CB 3.27Å; N558-L578 WeakPolarHBondContact OD1-CB 3.05Å; N558-L578 WeakPolarHBondContact OD1-CD1 3.46Å; N558-L578 WeakPolarHBondContact OD1-CG 3.37Å; N558-L578 PolarHBondContact OD1-N 3.28Å; L561-L578 HydrophobicContact CD1-CD1 4.45Å; L561-L578 HydrophobicContact CD1-CD2 3.71Å; L561-L578 HydrophobicContact CD1-CG 3.88Å; L578-N580 VanDerWaalsContact C-N 3.32Å; L578-N580 PolarHBondContact O-N 3.41Å; L578-H581 CarbonylContact O-C 3.57Å; L578-H581 WeakPolarHBondContact O-CA 3.46Å; L578-H581 VanDerWaalsContact O-CB 3.24Å; L578-H581 WeakPolarHBondContact O-CB 3.31Å; L578-H581 PolarHBondContact O-N 3.48Å; L578-H582 PolarHBondContact O-CD2 3.13Å; L578-H582 PolarHBondContact O-N 2.65Å; L578-H582 PolarHBondContact O-ND1 3Å; L578-H582 PolarHBondContact O-NE2 3.48Å
579	E	98.7	Very high	98.1	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-39.3	-176.6	-57.9	74.9	-154.5	0	0	111.6	N558 S576 H581 L583 L618 D621	N558-E579 PolarHBondContact ND2-OE1 3.39Å; N558-E579 VanDerWaalsContact ND2-OE1 3.14Å; N558-E579 PolarHBondContact ND2-OE2 2.94Å; N558-E579 VanDerWaalsContact ND2-OE2 3.07Å; S576-E579 WeakPolarHBondContact CA-OE2 3.45Å; S576-E579 VanDerWaalsContact CB-OE2 3.28Å; S576-E579 WeakPolarHBondContact CB-OE2 3.37Å; S576-E579 PolarHBondContact O-N 3.36Å; E579-H581 VanDerWaalsContact C-N 3.34Å; E579-L583 WeakPolarHBondContact O-CG 3.49Å; E579-L583 PolarHBondContact O-N 3.05Å; E579-L618 HydrophobicContact CB-CD2 3.97Å; E579-D621 HydrophobicContact CG-CB 3.88Å
580	N	98.6	Very high	98.1	Very high	50 Å²	50	42.1 Å²	42.1	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-66.1	-36.4	170.6	-80.4	-75.2	0	0	0	112.5	Y572 S575 S576 L578 A584	Y572-N580 HydrophobicContact CD1-CB 3.42Å; Y572-N580 VanDerWaalsContact CD1-CB 3.42Å; Y572-N580 HydrophobicContact CD2-CB 4.4Å; Y572-N580 HydrophobicContact CE1-CB 3.52Å; Y572-N580 HydrophobicContact CE2-CB 4.49Å; Y572-N580 HydrophobicContact CG-CB 3.9Å; S575-N580 PolarHBondContact O-ND2 3.3Å; S575-N580 VanDerWaalsContact O-ND2 3.14Å; S576-N580 WeakPolarHBondContact O-CB 3.24Å; S576-N580 PolarHBondContact O-N 3.28Å; S576-N580 PolarHBondContact O-ND2 3.29Å; L578-N580 VanDerWaalsContact C-N 3.32Å; L578-N580 PolarHBondContact O-N 3.41Å; N580-A584 WeakPolarHBondContact O-CB 3.45Å; N580-A584 PolarHBondContact O-N 2.58Å
581	H	98.5	Very high	97.9	Very high	37 Å²	37	40.4 Å²	40.4	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-45.6	176.9	-171.5	53.3	0	0	0	112.3	Y572 V577 L578 E579 L583 A584 I585	Y572-H581 HydrophobicContact CE2-CB 3.77Å; Y572-H581 WeakPolarHBondContact OH-CA 3.32Å; V577-H581 WeakPolarHBondContact O-CB 3.46Å; V577-H581 PolarHBondContact O-N 3.35Å; V577-H581 VanDerWaalsContact O-N 3.1Å; L578-H581 CarbonylContact O-C 3.57Å; L578-H581 WeakPolarHBondContact O-CA 3.46Å; L578-H581 VanDerWaalsContact O-CB 3.24Å; L578-H581 WeakPolarHBondContact O-CB 3.31Å; L578-H581 PolarHBondContact O-N 3.48Å; E579-H581 VanDerWaalsContact C-N 3.34Å; H581-L583 VanDerWaalsContact C-N 3.34Å; H581-L583 PolarHBondContact O-N 3.04Å; H581-A584 PolarHBondContact O-N 2.68Å; H581-A584 VanDerWaalsContact O-N 3.13Å; H581-I585 VanDerWaalsContact NE2-CD1 3.29Å; H581-I585 WeakPolarHBondContact NE2-CD1 3.37Å; H581-I585 PolarHBondContact O-N 3.15Å
582	H	98.7	Very high	97.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-49	176.3	-56.3	-36.3	0	0	0	110.9	H549 D550 V551 H553 L578 A584 I585 A586 V617	H549-H582 VanDerWaalsContact O-CB 3.32Å; H549-H582 WeakPolarHBondContact O-CB 3.38Å; H549-H582 PolarHBondContact O-CD2 3.38Å; D550-H582 IonicContact OD1-NE2 2.69Å; V551-H582 HydrophobicContact CG1-CB 4.31Å; V551-H582 VanDerWaalsContact CG1-O 3.28Å; V551-H582 WeakPolarHBondContact CG1-O 3.33Å; V551-H582 PolarHBondContact O-ND1 2.63Å; H553-H582 AromaticContact CD2-CE1 3.9Å; H553-H582 AromaticContact CD2-NE2 3.83Å; L578-H582 PolarHBondContact O-CD2 3.13Å; L578-H582 PolarHBondContact O-N 2.65Å; L578-H582 PolarHBondContact O-ND1 3Å; L578-H582 PolarHBondContact O-NE2 3.48Å; H582-A584 PolarHBondContact O-N 2.85Å; H582-I585 PolarHBondContact O-N 3.14Å; H582-A586 WeakPolarHBondContact O-CB 3.48Å; H582-A586 PolarHBondContact O-N 2.79Å; H582-V617 HydrophobicContact CB-CG1 4.42Å
583	L	98.7	Very high	97.7	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-45.3	174.8	-73.8	166	0	0	0	112.3	I548 E579 H581 A586 F587 I613 I614 V617 L618	I548-L583 HydrophobicContact CD1-CD2 4.34Å; E579-L583 WeakPolarHBondContact O-CG 3.49Å; E579-L583 PolarHBondContact O-N 3.05Å; H581-L583 VanDerWaalsContact C-N 3.34Å; H581-L583 PolarHBondContact O-N 3.04Å; L583-A586 PolarHBondContact O-N 3.38Å; L583-F587 HydrophobicContact CB-CD2 4.43Å; L583-F587 HydrophobicContact CD2-CD2 4.27Å; L583-F587 HydrophobicContact CD2-CE2 3.72Å; L583-F587 WeakPolarHBondContact O-CB 3.43Å; L583-F587 VanDerWaalsContact O-CD2 3.22Å; L583-F587 WeakPolarHBondContact O-CD2 3.46Å; L583-F587 PolarHBondContact O-N 2.86Å; L583-I613 HydrophobicContact CD2-CG2 4.01Å; L583-I614 HydrophobicContact CD1-CB 4.37Å; L583-I614 HydrophobicContact CD1-CG1 4.28Å; L583-I614 HydrophobicContact CD1-CG2 4.17Å; L583-I614 HydrophobicContact CD2-CG1 4.04Å; L583-V617 HydrophobicContact CD1-CB 4.11Å; L583-V617 HydrophobicContact CD1-CG1 4.22Å; L583-V617 HydrophobicContact CD2-CB 3.79Å; L583-V617 HydrophobicContact CD2-CG1 4.19Å; L583-V617 HydrophobicContact CD2-CG2 3.9Å; L583-V617 HydrophobicContact CG-CB 3.87Å; L583-V617 HydrophobicContact CG-CG1 3.8Å; L583-V617 HydrophobicContact CG-CG2 4.43Å; L583-L618 HydrophobicContact CD1-CD2 3.95Å; L583-L618 HydrophobicContact CD1-CG 3.86Å
584	A	98.4	Very high	97.6	Very high	44 Å²	44	38.3 Å²	38.3	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-44.2	-178.9	0	0	0	0	0	112	Y572 N580 H581 H582 S588	Y572-A584 VanDerWaalsContact OH-CB 3.23Å; Y572-A584 WeakPolarHBondContact OH-CB 3.24Å; N580-A584 WeakPolarHBondContact O-CB 3.45Å; N580-A584 PolarHBondContact O-N 2.58Å; H581-A584 PolarHBondContact O-N 2.68Å; H581-A584 VanDerWaalsContact O-N 3.13Å; H582-A584 PolarHBondContact O-N 2.85Å; A584-S588 VanDerWaalsContact O-CB 3.29Å; A584-S588 WeakPolarHBondContact O-CB 3.26Å; A584-S588 PolarHBondContact O-N 3.43Å; A584-S588 VanDerWaalsContact O-N 3.09Å; A584-S588 PolarHBondContact O-OG 3.02Å
585	I	98.2	Very high	97.5	Very high	29 Å²	29	35.2 Å²	35.2	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-56.4	174.6	-69.8	172.5	0	0	0	109.8	K502 V551 H581 H582 F587 S588 L589	K502-I585 HydrophobicContact CB-CG2 4.31Å; K502-I585 HydrophobicContact CG-CG2 4.28Å; V551-I585 HydrophobicContact CG1-CB 4.17Å; V551-I585 HydrophobicContact CG1-CG2 4.07Å; V551-I585 HydrophobicContact CG2-CG2 4.1Å; H581-I585 VanDerWaalsContact NE2-CD1 3.29Å; H581-I585 WeakPolarHBondContact NE2-CD1 3.37Å; H581-I585 PolarHBondContact O-N 3.15Å; H582-I585 PolarHBondContact O-N 3.14Å; I585-F587 PolarHBondContact O-N 3.42Å; I585-S588 WeakPolarHBondContact O-CB 3.42Å; I585-S588 PolarHBondContact O-N 2.94Å; I585-S588 PolarHBondContact O-OG 3.09Å; I585-L589 HydrophobicContact CG2-CD1 4.35Å; I585-L589 WeakPolarHBondContact O-CG 3.32Å; I585-L589 PolarHBondContact O-N 3.48Å; I585-L589 VanDerWaalsContact O-N 3.13Å
586	A	98.2	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-49.4	-175.1	0	0	0	0	0	112.7	Y495 I548 V551 H582 L583 S588 L589	Y495-A586 PolarHBondContact OH-O 3.28Å; I548-A586 HydrophobicContact CB-CB 3.8Å; I548-A586 HydrophobicContact CD1-CB 3.41Å; I548-A586 VanDerWaalsContact CD1-CB 3.41Å; I548-A586 HydrophobicContact CG1-CB 4.19Å; I548-A586 HydrophobicContact CG2-CB 3.89Å; V551-A586 HydrophobicContact CG1-CB 4.14Å; H582-A586 WeakPolarHBondContact O-CB 3.48Å; H582-A586 PolarHBondContact O-N 2.79Å; L583-A586 PolarHBondContact O-N 3.38Å; A586-S588 VanDerWaalsContact C-N 3.29Å; A586-S588 PolarHBondContact O-N 3.05Å; A586-L589 WeakPolarHBondContact O-CB 3.46Å; A586-L589 PolarHBondContact O-N 3.02Å
587	F	98.2	Very high	97.5	Very high	34 Å²	34	32.9 Å²	32.9	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-25.2	179.4	-76.8	-68.7	0	0	0	113.2	L583 I585 L590 R610 I613 I614	L583-F587 HydrophobicContact CB-CD2 4.43Å; L583-F587 HydrophobicContact CD2-CD2 4.27Å; L583-F587 HydrophobicContact CD2-CE2 3.72Å; L583-F587 WeakPolarHBondContact O-CB 3.43Å; L583-F587 VanDerWaalsContact O-CD2 3.22Å; L583-F587 WeakPolarHBondContact O-CD2 3.46Å; L583-F587 PolarHBondContact O-N 2.86Å; I585-F587 PolarHBondContact O-N 3.42Å; F587-L590 HydrophobicContact CD1-CD1 3.63Å; F587-L590 HydrophobicContact CE1-CD1 4.18Å; F587-R610 HydrophobicContact CE1-CB 4.25Å; F587-R610 HydrophobicContact CE1-CG 3.96Å; F587-R610 HydrophobicContact CE2-CG 4.49Å; F587-R610 HydrophobicContact CZ-CB 4.3Å; F587-R610 HydrophobicContact CZ-CG 3.84Å; F587-I613 HydrophobicContact CE2-CG2 4.05Å; F587-I613 HydrophobicContact CZ-CB 4.09Å; F587-I613 HydrophobicContact CZ-CD1 4.41Å; F587-I613 HydrophobicContact CZ-CG2 3.81Å; F587-I614 HydrophobicContact CE2-CD1 4.4Å; F587-I614 HydrophobicContact CE2-CG1 3.89Å; F587-I614 HydrophobicContact CZ-CG1 4.43Å
588	S	97.7	Very high	97.4	Very high	75 Å²	75	33.1 Å²	33.1	52%	0.524	21%	0.214	S	C	.	.	H	α-helix	trans	-69.1	-34.3	172.9	79.3	0	0	0	0	112.3	A584 I585 A586 L590 G591	A584-S588 VanDerWaalsContact O-CB 3.29Å; A584-S588 WeakPolarHBondContact O-CB 3.26Å; A584-S588 PolarHBondContact O-N 3.43Å; A584-S588 VanDerWaalsContact O-N 3.09Å; A584-S588 PolarHBondContact O-OG 3.02Å; I585-S588 WeakPolarHBondContact O-CB 3.42Å; I585-S588 PolarHBondContact O-N 2.94Å; I585-S588 PolarHBondContact O-OG 3.09Å; A586-S588 VanDerWaalsContact C-N 3.29Å; A586-S588 PolarHBondContact O-N 3.05Å; S588-L590 VanDerWaalsContact C-N 3.31Å; S588-L590 PolarHBondContact O-N 2.97Å; S588-G591 PolarHBondContact O-N 3.49Å; S588-G591 VanDerWaalsContact O-N 3.1Å
589	L	97.8	Very high	97.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-33.8	179.1	-66.6	175.7	0	0	0	112.2	Y495 A498 V499 K502 I585 A586 G591 Q592 H595	Y495-L589 HydrophobicContact CD2-CB 4.19Å; Y495-L589 HydrophobicContact CE2-CB 3.76Å; A498-L589 HydrophobicContact CB-CD1 4.48Å; A498-L589 HydrophobicContact CB-CD2 4.39Å; V499-L589 HydrophobicContact CB-CD1 4.4Å; V499-L589 HydrophobicContact CG2-CD1 3.69Å; K502-L589 HydrophobicContact CG-CD1 4.26Å; K502-L589 HydrophobicContact CG-CD2 4.49Å; I585-L589 HydrophobicContact CG2-CD1 4.35Å; I585-L589 WeakPolarHBondContact O-CG 3.32Å; I585-L589 PolarHBondContact O-N 3.48Å; I585-L589 VanDerWaalsContact O-N 3.13Å; A586-L589 WeakPolarHBondContact O-CB 3.46Å; A586-L589 PolarHBondContact O-N 3.02Å; L589-G591 PolarHBondContact O-N 3.42Å; L589-G591 VanDerWaalsContact O-N 3.13Å; L589-Q592 WeakPolarHBondContact O-CB 3.41Å; L589-Q592 PolarHBondContact O-N 3.33Å; L589-H595 VanDerWaalsContact O-CB 3.31Å; L589-H595 WeakPolarHBondContact O-CB 3.43Å
590	L	96.9	Very high	97.1	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.3	174.6	-66.3	166.6	0	0	0	113.3	Y495 F544 F587 S588 Q592 V597 F598	Y495-L590 HydrophobicContact CD2-CD2 3.65Å; Y495-L590 HydrophobicContact CD2-CG 4.16Å; Y495-L590 HydrophobicContact CE2-CD2 3.49Å; Y495-L590 VanDerWaalsContact CE2-CD2 3.49Å; Y495-L590 HydrophobicContact CE2-CG 3.6Å; Y495-L590 HydrophobicContact CG-CD2 4.36Å; F544-L590 HydrophobicContact CZ-CD2 4.49Å; F587-L590 HydrophobicContact CD1-CD1 3.63Å; F587-L590 HydrophobicContact CE1-CD1 4.18Å; S588-L590 VanDerWaalsContact C-N 3.31Å; S588-L590 PolarHBondContact O-N 2.97Å; L590-Q592 VanDerWaalsContact C-N 3.28Å; L590-V597 HydrophobicContact CD2-CB 4.31Å; L590-V597 HydrophobicContact CD2-CG2 4.21Å; L590-F598 HydrophobicContact CD1-CD2 3.77Å; L590-F598 HydrophobicContact CD1-CE2 3.63Å; L590-F598 HydrophobicContact CD2-CD2 3.85Å; L590-F598 HydrophobicContact CD2-CE2 3.93Å; L590-F598 HydrophobicContact CG-CD2 4.47Å; L590-F598 HydrophobicContact CG-CE2 4.44Å
591	G	94.2	Very high	96.9	Very high	72 Å²	72	40.2 Å²	40.2	74%	0.742	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.8	176.8	0	0	0	0	0	114.1	S588 L589	S588-G591 PolarHBondContact O-N 3.49Å; S588-G591 VanDerWaalsContact O-N 3.1Å; L589-G591 PolarHBondContact O-N 3.42Å; L589-G591 VanDerWaalsContact O-N 3.13Å
592	Q	95.8	Very high	96.8	Very high	84 Å²	84	42 Å²	42	39%	0.393	26%	0.263	S	S	.	.	S	Bend	trans	-75.5	146.5	178.6	-62.1	-174.6	9.6	0	0	111.2	L589 L590 G594 H595	L589-Q592 WeakPolarHBondContact O-CB 3.41Å; L589-Q592 PolarHBondContact O-N 3.33Å; L590-Q592 VanDerWaalsContact C-N 3.28Å; Q592-G594 PolarHBondContact O-N 3.35Å; Q592-H595 HydrophobicContact CB-CB 4.04Å; Q592-H595 WeakPolarHBondContact CB-ND1 3.24Å; Q592-H595 WeakPolarHBondContact O-CB 3.45Å; Q592-H595 PolarHBondContact O-N 2.76Å
593	P	95.8	Very high	96.6	Very high	123 Å²	123	51.8 Å²	51.8	80%	0.799	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.7	-178.6	-25.7	34.5	0	0	0	112.2	H595	P593-H595 VanDerWaalsContact C-N 3.28Å; P593-H595 PolarHBondContact O-N 3.03Å; P593-H595 PolarHBondContact O-ND1 3.35Å
594	G	94.7	Very high	96.3	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	9.4	179.4	0	0	0	0	0	115.5	N491 Q592	N491-G594 WeakPolarHBondContact CA-O 3.43Å; N491-G594 WeakPolarHBondContact CB-O 3.27Å; N491-G594 VanDerWaalsContact CG-O 3.29Å; N491-G594 PolarHBondContact OD1-O 3.17Å; Q592-G594 PolarHBondContact O-N 3.35Å
595	H	96.9	Very high	96.1	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.116	31%	0.307	C	S	.	.			trans	-100.5	-3.3	177.7	-65.1	66	0	0	0	112.8	L494 Y495 L589 Q592 P593 V597	L494-H595 PolarHBondContact O-CD2 2.64Å; Y495-H595 WeakPolarHBondContact CB-O 3.48Å; Y495-H595 HydrophobicContact CD2-CB 4.37Å; Y495-H595 WeakPolarHBondContact CD2-O 3.07Å; L589-H595 VanDerWaalsContact O-CB 3.31Å; L589-H595 WeakPolarHBondContact O-CB 3.43Å; Q592-H595 HydrophobicContact CB-CB 4.04Å; Q592-H595 WeakPolarHBondContact CB-ND1 3.24Å; Q592-H595 WeakPolarHBondContact O-CB 3.45Å; Q592-H595 PolarHBondContact O-N 2.76Å; P593-H595 VanDerWaalsContact C-N 3.28Å; P593-H595 PolarHBondContact O-N 3.03Å; P593-H595 PolarHBondContact O-ND1 3.35Å; H595-V597 PolarHBondContact O-N 2.76Å
596	D	97.3	Very high	96	Very high	35 Å²	35	58.1 Å²	58.1	19%	0.187	32%	0.316	C	S	.	.			trans	-74.6	99.8	-179.4	-166.4	-3.3	0	0	0	110.8	N491 F598 E599 R606	N491-D596 PolarHBondContact ND2-O 2.85Å; D596-F598 PolarHBondContact O-N 3.39Å; D596-F598 PolarHBondContact OD1-N 2.7Å; D596-E599 HydrophobicContact CB-CB 4.22Å; D596-E599 WeakPolarHBondContact O-CB 3.17Å; D596-E599 PolarHBondContact O-N 3.25Å; D596-E599 PolarHBondContact OD1-N 3.2Å; D596-R606 VanDerWaalsContact CG-NH1 3.26Å; D596-R606 IonicContact OD1-CZ 3.33Å; D596-R606 IonicContact OD1-NH1 2.75Å; D596-R606 PolarHBondContact OD1-NH1 2.92Å; D596-R606 IonicContact OD1-NH2 3Å; D596-R606 PolarHBondContact OD1-NH2 2.8Å; D596-R606 IonicContact OD2-CZ 3.68Å; D596-R606 IonicContact OD2-NH1 3.27Å; D596-R606 PolarHBondContact OD2-NH1 3.35Å; D596-R606 IonicContact OD2-NH2 3.55Å; D596-R606 PolarHBondContact OD2-NH2 3.36Å
597	V	96.6	Very high	95.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.3	176.4	-173.1	0	0	0	0	111.5	I487 L492 Y495 F540 L590 H595	I487-V597 HydrophobicContact CD1-CG1 4.38Å; I487-V597 HydrophobicContact CG1-CG1 4.5Å; I487-V597 HydrophobicContact CG2-CG1 3.7Å; L492-V597 HydrophobicContact CD1-CG1 3.88Å; L492-V597 HydrophobicContact CD1-CG2 4.23Å; Y495-V597 VanDerWaalsContact CB-CG2 3.47Å; Y495-V597 HydrophobicContact CD1-CG2 3.67Å; Y495-V597 HydrophobicContact CD2-CG2 4.25Å; Y495-V597 HydrophobicContact CG-CG2 3.5Å; F540-V597 HydrophobicContact CZ-CG1 3.8Å; L590-V597 HydrophobicContact CD2-CB 4.31Å; L590-V597 HydrophobicContact CD2-CG2 4.21Å; H595-V597 PolarHBondContact O-N 2.76Å
598	F	96	Very high	95.7	Very high	5 Å²	5	61 Å²	61	2%	0.022	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	15.7	-177.6	-51.6	-79	0	0	0	112.5	F540 F544 L590 D596 N600 F601 R606 I613	F540-F598 HydrophobicContact CD1-CE1 4.29Å; F540-F598 HydrophobicContact CE1-CD1 4.26Å; F540-F598 AromaticContact CE1-CE1 3.62Å; F540-F598 HydrophobicContact CE1-CE1 3.62Å; F540-F598 HydrophobicContact CE1-CZ 4.29Å; F544-F598 HydrophobicContact CD1-CZ 4.3Å; F544-F598 HydrophobicContact CD2-CZ 4.08Å; F544-F598 HydrophobicContact CE1-CE2 4.23Å; F544-F598 HydrophobicContact CE1-CZ 4.07Å; F544-F598 AromaticContact CE2-CE2 3.98Å; F544-F598 HydrophobicContact CE2-CE2 3.98Å; F544-F598 AromaticContact CE2-CZ 3.83Å; F544-F598 HydrophobicContact CE2-CZ 3.83Å; F544-F598 HydrophobicContact CG-CZ 4.29Å; F544-F598 AromaticContact CZ-CE2 3.71Å; F544-F598 HydrophobicContact CZ-CE2 3.71Å; F544-F598 AromaticContact CZ-CZ 3.8Å; F544-F598 HydrophobicContact CZ-CZ 3.8Å; L590-F598 HydrophobicContact CD1-CD2 3.77Å; L590-F598 HydrophobicContact CD1-CE2 3.63Å; L590-F598 HydrophobicContact CD2-CD2 3.85Å; L590-F598 HydrophobicContact CD2-CE2 3.93Å; L590-F598 HydrophobicContact CG-CD2 4.47Å; L590-F598 HydrophobicContact CG-CE2 4.44Å; D596-F598 PolarHBondContact O-N 3.39Å; D596-F598 PolarHBondContact OD1-N 2.7Å; F598-N600 VanDerWaalsContact C-N 3.26Å; F598-N600 PolarHBondContact O-N 2.95Å; F598-F601 HydrophobicContact CB-CB 4.39Å; F598-F601 HydrophobicContact CB-CD1 4.37Å; F598-F601 HydrophobicContact CB-CG 4.19Å; F598-F601 HydrophobicContact CD1-CD1 4.49Å; F598-F601 AromaticContact CD1-CD2 3.81Å; F598-F601 HydrophobicContact CD1-CD2 3.81Å; F598-F601 HydrophobicContact CD1-CE1 4.32Å; F598-F601 AromaticContact CD1-CE2 3.65Å; F598-F601 HydrophobicContact CD1-CE2 3.65Å; F598-F601 HydrophobicContact CD1-CG 4.25Å; F598-F601 AromaticContact CD1-CZ 3.93Å; F598-F601 HydrophobicContact CD1-CZ 3.93Å; F598-F601 HydrophobicContact CE1-CE2 4.18Å; F598-F601 HydrophobicContact CE1-CZ 4.49Å; F598-F601 WeakPolarHBondContact O-CB 3.25Å; F598-F601 PolarHBondContact O-N 2.99Å; F598-F601 VanDerWaalsContact O-N 3.1Å; F598-R606 VanDerWaalsContact C-NH1 3.31Å; F598-R606 HydrophobicContact CB-CG 4.2Å; F598-R606 PolarHBondContact O-NH1 2.7Å; F598-I613 HydrophobicContact CE1-CD1 4.45Å; F598-I613 HydrophobicContact CZ-CD1 3.82Å
599	E	95	Very high	95.7	Very high	117 Å²	117	57.5 Å²	57.5	55%	0.547	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-41.9	-175.7	-177.5	176.2	-177.3	0	0	112.2	N491 D596	N491-E599 PolarHBondContact ND2-OE2 3.23Å; D596-E599 HydrophobicContact CB-CB 4.22Å; D596-E599 WeakPolarHBondContact O-CB 3.17Å; D596-E599 PolarHBondContact O-N 3.25Å; D596-E599 PolarHBondContact OD1-N 3.2Å
600	N	95.8	Very high	95.7	Very high	88 Å²	88	62.6 Å²	62.6	47%	0.471	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.7	-177.4	-67.2	-34.2	0	0	0	114	A486 F598	A486-N600 HydrophobicContact CB-CB 4.37Å; A486-N600 PolarHBondContact O-ND2 3.46Å; F598-N600 VanDerWaalsContact C-N 3.26Å; F598-N600 PolarHBondContact O-N 2.95Å
601	F	95.6	Very high	95.6	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.066	34%	0.335	C	S	.	.	S	Bend	trans	-78.6	132.8	-178.3	-77.1	40.6	0	0	0	109.7	F485 I487 L537 F540 F598 R603 Q605 R606	F485-F601 HydrophobicContact CB-CD1 4.44Å; F485-F601 HydrophobicContact CB-CE1 3.53Å; F485-F601 HydrophobicContact CB-CZ 3.68Å; F485-F601 HydrophobicContact CD1-CE1 4.26Å; F485-F601 HydrophobicContact CD1-CE2 4.17Å; F485-F601 AromaticContact CD1-CZ 3.87Å; F485-F601 HydrophobicContact CD1-CZ 3.87Å; F485-F601 HydrophobicContact CD2-CZ 4.35Å; F485-F601 HydrophobicContact CG-CE1 4.05Å; F485-F601 HydrophobicContact CG-CE2 4.42Å; F485-F601 AromaticContact CG-CZ 3.7Å; F485-F601 HydrophobicContact CG-CZ 3.7Å; I487-F601 HydrophobicContact CD1-CE1 4.3Å; I487-F601 HydrophobicContact CD1-CZ 4.36Å; I487-F601 HydrophobicContact CG1-CE1 3.89Å; I487-F601 HydrophobicContact CG1-CZ 4.44Å; L537-F601 HydrophobicContact CD1-CD2 4.11Å; L537-F601 HydrophobicContact CD1-CE2 3.64Å; F540-F601 HydrophobicContact CD1-CE2 4.33Å; F540-F601 HydrophobicContact CD1-CZ 4.02Å; F540-F601 HydrophobicContact CE1-CE2 4.47Å; F540-F601 AromaticContact CE1-CZ 3.96Å; F540-F601 HydrophobicContact CE1-CZ 3.96Å; F598-F601 HydrophobicContact CB-CB 4.39Å; F598-F601 HydrophobicContact CB-CD1 4.37Å; F598-F601 HydrophobicContact CB-CG 4.19Å; F598-F601 HydrophobicContact CD1-CD1 4.49Å; F598-F601 AromaticContact CD1-CD2 3.81Å; F598-F601 HydrophobicContact CD1-CD2 3.81Å; F598-F601 HydrophobicContact CD1-CE1 4.32Å; F598-F601 AromaticContact CD1-CE2 3.65Å; F598-F601 HydrophobicContact CD1-CE2 3.65Å; F598-F601 HydrophobicContact CD1-CG 4.25Å; F598-F601 AromaticContact CD1-CZ 3.93Å; F598-F601 HydrophobicContact CD1-CZ 3.93Å; F598-F601 HydrophobicContact CE1-CE2 4.18Å; F598-F601 HydrophobicContact CE1-CZ 4.49Å; F598-F601 WeakPolarHBondContact O-CB 3.25Å; F598-F601 PolarHBondContact O-N 2.99Å; F598-F601 VanDerWaalsContact O-N 3.1Å; F601-R603 PolarHBondContact O-N 3.43Å; F601-Q605 HydrophobicContact CD2-CB 4.27Å; F601-R606 HydrophobicContact CB-CB 4.17Å
602	P	95.9	Very high	95.8	Very high	75 Å²	75	61.7 Å²	61.7	49%	0.487	30%	0.3	S	S	.	.			trans	-52.4	142.9	167	-24.3	33	0	0	0	111	K604 Q605 R606	P602-K604 PolarHBondContact O-N 3.05Å; P602-Q605 WeakPolarHBondContact O-CA 3.23Å; P602-Q605 PolarHBondContact O-N 3.29Å; P602-R606 PolarHBondContact O-N 3.4Å
603	R	94.4	Very high	95.9	Very high	206 Å²	206	57.7 Å²	57.7	78%	0.777	28%	0.282	S	S	*	.	H	α-helix	trans	-48.2	-39.5	-177.9	-176.7	175.5	-177.9	-105.5	-0.4	113.3	F601 L607	F601-R603 PolarHBondContact O-N 3.43Å; R603-L607 HydrophobicContact CG-CD1 4.07Å; R603-L607 WeakPolarHBondContact O-CB 3.48Å; R603-L607 VanDerWaalsContact O-CG 3.26Å; R603-L607 WeakPolarHBondContact O-CG 3.33Å; R603-L607 PolarHBondContact O-N 2.97Å
604	K	92.7	Very high	96	Very high	73 Å²	73	53.9 Å²	53.9	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-49.2	177.9	-174	165.2	179	-179.2	0	111.6	P234 T237 P602 S608	P234-K604 HydrophobicContact CB-CD 4.38Å; P234-K604 HydrophobicContact CB-CG 3.94Å; P234-K604 HydrophobicContact CG-CG 4.46Å; P234-K604 VanDerWaalsContact O-CD 3.23Å; P234-K604 WeakPolarHBondContact O-CD 3.34Å; P234-K604 WeakPolarHBondContact O-CE 3.49Å; P234-K604 WeakPolarHBondContact O-CG 3.33Å; T237-K604 PolarHBondContact O-NZ 2.91Å; T237-K604 PolarHBondContact OG1-NZ 3.36Å; P602-K604 PolarHBondContact O-N 3.05Å; K604-S608 WeakPolarHBondContact O-CB 3.2Å; K604-S608 PolarHBondContact O-N 2.82Å; K604-S608 VanDerWaalsContact O-N 3.1Å
605	Q	94.9	Very high	96.2	Very high	55 Å²	55	54.6 Å²	54.6	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-45.1	175.2	-72.2	-176.6	-7.7	0	0	112	L235 L537 F601 P602 L607 S608 S609	L235-Q605 HydrophobicContact CD2-CG 4.14Å; L537-Q605 HydrophobicContact CD1-CB 4.36Å; L537-Q605 HydrophobicContact CD2-CB 4.23Å; L537-Q605 HydrophobicContact CD2-CG 4.2Å; F601-Q605 HydrophobicContact CD2-CB 4.27Å; P602-Q605 WeakPolarHBondContact O-CA 3.23Å; P602-Q605 PolarHBondContact O-N 3.29Å; Q605-L607 VanDerWaalsContact C-N 3.32Å; Q605-L607 PolarHBondContact O-N 3.11Å; Q605-S608 PolarHBondContact O-N 3.45Å; Q605-S608 VanDerWaalsContact O-N 3.13Å; Q605-S609 WeakPolarHBondContact O-CB 3.43Å; Q605-S609 PolarHBondContact O-N 3.17Å; Q605-S609 PolarHBondContact O-OG 3.31Å; Q605-S609 VanDerWaalsContact O-OG 3.1Å
606	R	96.3	Very high	96.2	Very high	87 Å²	87	53.4 Å²	53.4	33%	0.328	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-43.6	178.7	-173.1	-177.7	-177.9	107.6	-1	112.6	D596 F598 F601 P602 R610	D596-R606 VanDerWaalsContact CG-NH1 3.26Å; D596-R606 IonicContact OD1-CZ 3.33Å; D596-R606 IonicContact OD1-NH1 2.75Å; D596-R606 PolarHBondContact OD1-NH1 2.92Å; D596-R606 IonicContact OD1-NH2 3Å; D596-R606 PolarHBondContact OD1-NH2 2.8Å; D596-R606 IonicContact OD2-CZ 3.68Å; D596-R606 IonicContact OD2-NH1 3.27Å; D596-R606 PolarHBondContact OD2-NH1 3.35Å; D596-R606 IonicContact OD2-NH2 3.55Å; D596-R606 PolarHBondContact OD2-NH2 3.36Å; F598-R606 VanDerWaalsContact C-NH1 3.31Å; F598-R606 HydrophobicContact CB-CG 4.2Å; F598-R606 PolarHBondContact O-NH1 2.7Å; F601-R606 HydrophobicContact CB-CB 4.17Å; P602-R606 PolarHBondContact O-N 3.4Å; R606-R610 WeakPolarHBondContact O-CB 3.37Å; R606-R610 PolarHBondContact O-N 3.46Å
607	L	94.9	Very high	96.3	Very high	92 Å²	92	51.7 Å²	51.7	48%	0.482	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-40.9	176.8	-70.8	172.6	0	0	0	111.8	R603 Q605 R610 R611	R603-L607 HydrophobicContact CG-CD1 4.07Å; R603-L607 WeakPolarHBondContact O-CB 3.48Å; R603-L607 VanDerWaalsContact O-CG 3.26Å; R603-L607 WeakPolarHBondContact O-CG 3.33Å; R603-L607 PolarHBondContact O-N 2.97Å; Q605-L607 VanDerWaalsContact C-N 3.32Å; Q605-L607 PolarHBondContact O-N 3.11Å; L607-R610 PolarHBondContact O-N 3.3Å; L607-R611 PolarHBondContact O-N 3.2Å
608	S	94.7	Very high	96.4	Very high	4 Å²	4	54 Å²	54	3%	0.028	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-49	175.1	-175.9	0	0	0	0	111.3	K604 Q605 R610 R611 M612	K604-S608 WeakPolarHBondContact O-CB 3.2Å; K604-S608 PolarHBondContact O-N 2.82Å; K604-S608 VanDerWaalsContact O-N 3.1Å; Q605-S608 PolarHBondContact O-N 3.45Å; Q605-S608 VanDerWaalsContact O-N 3.13Å; S608-R610 VanDerWaalsContact C-N 3.34Å; S608-R610 PolarHBondContact O-N 3.41Å; S608-R611 WeakPolarHBondContact O-CB 3.24Å; S608-R611 PolarHBondContact O-N 3.3Å; S608-M612 WeakPolarHBondContact O-CG 3.42Å; S608-M612 PolarHBondContact O-N 2.97Å
609	S	97	Very high	96.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.3	-48	174.4	-62.6	0	0	0	0	112.4	L537 T541 Q605 R611 M612 I613	L537-S609 WeakPolarHBondContact CD1-OG 3.39Å; T541-S609 WeakPolarHBondContact CG2-OG 3.47Å; Q605-S609 WeakPolarHBondContact O-CB 3.43Å; Q605-S609 PolarHBondContact O-N 3.17Å; Q605-S609 PolarHBondContact O-OG 3.31Å; Q605-S609 VanDerWaalsContact O-OG 3.1Å; S609-R611 VanDerWaalsContact C-N 3.3Å; S609-R611 PolarHBondContact O-N 2.94Å; S609-M612 PolarHBondContact O-N 3.2Å; S609-I613 WeakPolarHBondContact O-CB 3.49Å; S609-I613 WeakPolarHBondContact O-CD1 3.25Å; S609-I613 WeakPolarHBondContact O-CG1 3.35Å; S609-I613 PolarHBondContact O-N 2.98Å
610	R	97.5	Very high	96.6	Very high	112 Å²	112	48.9 Å²	48.9	42%	0.423	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-44.3	177.3	176.3	174	178	77.8	1.6	111.6	F587 R606 L607 S608 I614	F587-R610 HydrophobicContact CE1-CB 4.25Å; F587-R610 HydrophobicContact CE1-CG 3.96Å; F587-R610 HydrophobicContact CE2-CG 4.49Å; F587-R610 HydrophobicContact CZ-CB 4.3Å; F587-R610 HydrophobicContact CZ-CG 3.84Å; R606-R610 WeakPolarHBondContact O-CB 3.37Å; R606-R610 PolarHBondContact O-N 3.46Å; L607-R610 PolarHBondContact O-N 3.3Å; S608-R610 VanDerWaalsContact C-N 3.34Å; S608-R610 PolarHBondContact O-N 3.41Å; R610-I614 HydrophobicContact CG-CD1 3.79Å; R610-I614 WeakPolarHBondContact O-CD1 3.48Å; R610-I614 VanDerWaalsContact O-CG1 3.25Å; R610-I614 WeakPolarHBondContact O-CG1 3.22Å; R610-I614 PolarHBondContact O-N 2.95Å; R610-I614 VanDerWaalsContact O-N 3.09Å
611	R	96.2	Very high	96.7	Very high	64 Å²	64	45.1 Å²	45.1	24%	0.242	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-50.1	179.3	-179.6	177.5	175.9	-176.4	-7.4	111.3	K230 L607 S608 S609 I613 I614 D615	K230-R611 VanDerWaalsContact CA-NH2 3.33Å; K230-R611 PolarHBondContact O-NH1 3.24Å; K230-R611 PolarHBondContact O-NH2 2.92Å; L607-R611 PolarHBondContact O-N 3.2Å; S608-R611 WeakPolarHBondContact O-CB 3.24Å; S608-R611 PolarHBondContact O-N 3.3Å; S609-R611 VanDerWaalsContact C-N 3.3Å; S609-R611 PolarHBondContact O-N 2.94Å; R611-I613 PolarHBondContact O-N 3.39Å; R611-I614 PolarHBondContact O-N 2.99Å; R611-D615 IonicContact NE-OD2 2.94Å; R611-D615 PolarHBondContact O-N 2.87Å
612	M	97.8	Very high	96.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-45.4	179.3	-65.1	-167.2	-71.7	0	0	111.9	L537 E538 T541 S608 S609 I614 D615 M616 Y652 M656	L537-M612 HydrophobicContact CD2-CE 3.94Å; L537-M612 HydrophobicContact CG-CE 3.97Å; E538-M612 HydrophobicContact CG-CE 4.21Å; E538-M612 HydrophobicContact CG-SD 3.61Å; T541-M612 HydrophobicContact CG2-CE 3.91Å; T541-M612 WeakPolarHBondContact OG1-CE 3.35Å; S608-M612 WeakPolarHBondContact O-CG 3.42Å; S608-M612 PolarHBondContact O-N 2.97Å; S609-M612 PolarHBondContact O-N 3.2Å; M612-I614 VanDerWaalsContact C-N 3.35Å; M612-I614 PolarHBondContact O-N 3.09Å; M612-D615 PolarHBondContact O-N 3.33Å; M612-M616 HydrophobicContact CB-CE 4.06Å; M612-M616 WeakPolarHBondContact O-CB 3.47Å; M612-M616 VanDerWaalsContact O-CE 3.3Å; M612-M616 WeakPolarHBondContact O-CE 3.29Å; M612-M616 WeakPolarHBondContact O-CG 3.29Å; M612-M616 PolarHBondContact O-N 2.94Å; M612-Y652 HydrophobicContact CG-CE2 4.04Å; M612-Y652 HydrophobicContact SD-CE2 4.15Å; M612-M656 HydrophobicContact CB-CE 3.61Å; M612-M656 HydrophobicContact CG-CE 3.4Å; M612-M656 VanDerWaalsContact CG-CE 3.4Å; M612-M656 HydrophobicContact SD-CE 4.1Å
613	I	98.6	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-43.8	178.2	-68.7	160.8	0	0	0	111.2	T541 F544 A545 I548 L583 F587 F598 S609 R611 M616 V617	T541-I613 HydrophobicContact CG2-CD1 4.34Å; T541-I613 HydrophobicContact CG2-CG1 4.38Å; F544-I613 HydrophobicContact CB-CD1 4.49Å; F544-I613 HydrophobicContact CD1-CD1 3.52Å; F544-I613 HydrophobicContact CD1-CG1 4.13Å; F544-I613 HydrophobicContact CD1-CG2 4.36Å; F544-I613 HydrophobicContact CE1-CD1 3.96Å; F544-I613 HydrophobicContact CG-CD1 4.19Å; A545-I613 HydrophobicContact CB-CG2 4.36Å; I548-I613 HydrophobicContact CD1-CG2 3.75Å; L583-I613 HydrophobicContact CD2-CG2 4.01Å; F587-I613 HydrophobicContact CE2-CG2 4.05Å; F587-I613 HydrophobicContact CZ-CB 4.09Å; F587-I613 HydrophobicContact CZ-CD1 4.41Å; F587-I613 HydrophobicContact CZ-CG2 3.81Å; F598-I613 HydrophobicContact CE1-CD1 4.45Å; F598-I613 HydrophobicContact CZ-CD1 3.82Å; S609-I613 WeakPolarHBondContact O-CB 3.49Å; S609-I613 WeakPolarHBondContact O-CD1 3.25Å; S609-I613 WeakPolarHBondContact O-CG1 3.35Å; S609-I613 PolarHBondContact O-N 2.98Å; R611-I613 PolarHBondContact O-N 3.39Å; I613-M616 PolarHBondContact O-N 3.18Å; I613-V617 HydrophobicContact CG2-CG2 4.4Å; I613-V617 WeakPolarHBondContact O-CG2 3.38Å; I613-V617 PolarHBondContact O-N 3.43Å
614	I	98.2	Very high	96.5	Very high	43 Å²	43	42.9 Å²	42.9	22%	0.221	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-47.6	176.8	-69.2	166	0	0	0	110.7	L583 F587 R610 R611 M612 M616 L618	L583-I614 HydrophobicContact CD1-CB 4.37Å; L583-I614 HydrophobicContact CD1-CG1 4.28Å; L583-I614 HydrophobicContact CD1-CG2 4.17Å; L583-I614 HydrophobicContact CD2-CG1 4.04Å; F587-I614 HydrophobicContact CE2-CD1 4.4Å; F587-I614 HydrophobicContact CE2-CG1 3.89Å; F587-I614 HydrophobicContact CZ-CG1 4.43Å; R610-I614 HydrophobicContact CG-CD1 3.79Å; R610-I614 WeakPolarHBondContact O-CD1 3.48Å; R610-I614 VanDerWaalsContact O-CG1 3.25Å; R610-I614 WeakPolarHBondContact O-CG1 3.22Å; R610-I614 PolarHBondContact O-N 2.95Å; R610-I614 VanDerWaalsContact O-N 3.09Å; R611-I614 PolarHBondContact O-N 2.99Å; M612-I614 VanDerWaalsContact C-N 3.35Å; M612-I614 PolarHBondContact O-N 3.09Å; I614-M616 VanDerWaalsContact C-N 3.26Å; I614-M616 PolarHBondContact O-N 3.47Å; I614-L618 HydrophobicContact CG2-CD1 3.74Å; I614-L618 HydrophobicContact CG2-CG 4.3Å; I614-L618 WeakPolarHBondContact O-CB 3.37Å; I614-L618 WeakPolarHBondContact O-CG 3.49Å; I614-L618 PolarHBondContact O-N 3.28Å
615	D	97.1	Very high	96.6	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.262	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-36	-179.4	-71.9	-20.3	0	0	0	111.3	R611 M612 M656 Q660	R611-D615 IonicContact NE-OD2 2.94Å; R611-D615 PolarHBondContact O-N 2.87Å; M612-D615 PolarHBondContact O-N 3.33Å; D615-M656 HydrophobicContact CB-CG 4.37Å; D615-M656 HydrophobicContact CB-SD 3.9Å; D615-Q660 PolarHBondContact O-NE2 3.01Å
616	M	98.5	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-77.1	-46.2	178.8	-72	-178.1	-70.1	0	0	113.8	T541 V542 A545 M612 I613 I614 A619 M656 L659 Q660 V663	T541-M616 WeakPolarHBondContact O-CE 3.48Å; V542-M616 HydrophobicContact CB-CE 4.16Å; V542-M616 HydrophobicContact CB-SD 3.71Å; V542-M616 HydrophobicContact CG2-SD 3.63Å; A545-M616 HydrophobicContact CB-CB 4Å; A545-M616 HydrophobicContact CB-CE 3.91Å; A545-M616 HydrophobicContact CB-SD 4.48Å; M612-M616 HydrophobicContact CB-CE 4.06Å; M612-M616 WeakPolarHBondContact O-CB 3.47Å; M612-M616 VanDerWaalsContact O-CE 3.3Å; M612-M616 WeakPolarHBondContact O-CE 3.29Å; M612-M616 WeakPolarHBondContact O-CG 3.29Å; M612-M616 PolarHBondContact O-N 2.94Å; I613-M616 PolarHBondContact O-N 3.18Å; I614-M616 VanDerWaalsContact C-N 3.26Å; I614-M616 PolarHBondContact O-N 3.47Å; M616-A619 WeakPolarHBondContact O-CB 3.22Å; M616-A619 PolarHBondContact O-N 3.18Å; M616-A619 VanDerWaalsContact O-N 3.13Å; M616-M656 HydrophobicContact CG-SD 3.97Å; M616-L659 HydrophobicContact CG-CB 4.39Å; M616-L659 HydrophobicContact SD-CB 3.8Å; M616-Q660 HydrophobicContact CG-CG 4.27Å; M616-V663 HydrophobicContact CB-CG2 4.37Å; M616-V663 HydrophobicContact SD-CG2 4.21Å
617	V	98.7	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-36.6	-180	177.2	0	0	0	0	111.2	A545 I548 H549 H582 L583 I613 A619 T620	A545-V617 HydrophobicContact CB-CG2 4.01Å; I548-V617 HydrophobicContact CD1-CG2 4.3Å; I548-V617 HydrophobicContact CG1-CG2 4.19Å; H549-V617 HydrophobicContact CB-CG1 4.37Å; H549-V617 HydrophobicContact CB-CG2 4.33Å; H582-V617 HydrophobicContact CB-CG1 4.42Å; L583-V617 HydrophobicContact CD1-CB 4.11Å; L583-V617 HydrophobicContact CD1-CG1 4.22Å; L583-V617 HydrophobicContact CD2-CB 3.79Å; L583-V617 HydrophobicContact CD2-CG1 4.19Å; L583-V617 HydrophobicContact CD2-CG2 3.9Å; L583-V617 HydrophobicContact CG-CB 3.87Å; L583-V617 HydrophobicContact CG-CG1 3.8Å; L583-V617 HydrophobicContact CG-CG2 4.43Å; I613-V617 HydrophobicContact CG2-CG2 4.4Å; I613-V617 WeakPolarHBondContact O-CG2 3.38Å; I613-V617 PolarHBondContact O-N 3.43Å; V617-A619 PolarHBondContact O-N 3.29Å; V617-T620 PolarHBondContact O-N 3.4Å; V617-T620 VanDerWaalsContact O-N 3.13Å; V617-T620 PolarHBondContact O-OG1 3.11Å
618	L	98.3	Very high	96.1	Very high	48 Å²	48	38 Å²	38	25%	0.251	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66.1	-19.8	173.8	-68.8	178.8	0	0	0	113.1	E579 L583 I614 T620	E579-L618 HydrophobicContact CB-CD2 3.97Å; L583-L618 HydrophobicContact CD1-CD2 3.95Å; L583-L618 HydrophobicContact CD1-CG 3.86Å; I614-L618 HydrophobicContact CG2-CD1 3.74Å; I614-L618 HydrophobicContact CG2-CG 4.3Å; I614-L618 WeakPolarHBondContact O-CB 3.37Å; I614-L618 WeakPolarHBondContact O-CG 3.49Å; I614-L618 PolarHBondContact O-N 3.28Å; L618-T620 VanDerWaalsContact C-N 3.31Å
619	A	97.4	Very high	96	Very high	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-77.9	-15.3	176.2	0	0	0	0	0	112.8	M616 V617 D621 L628 Q660	M616-A619 WeakPolarHBondContact O-CB 3.22Å; M616-A619 PolarHBondContact O-N 3.18Å; M616-A619 VanDerWaalsContact O-N 3.13Å; V617-A619 PolarHBondContact O-N 3.29Å; A619-D621 PolarHBondContact O-N 3.15Å; A619-L628 HydrophobicContact CB-CD1 4.17Å; A619-L628 HydrophobicContact CB-CD2 4.2Å; A619-L628 VanDerWaalsContact O-CD1 3.25Å; A619-L628 WeakPolarHBondContact O-CD1 3.5Å; A619-Q660 HydrophobicContact CB-CB 3.87Å; A619-Q660 HydrophobicContact CB-CG 3.83Å
620	T	98.3	Very high	95.5	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.043	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-77.5	-4.7	175.2	69.3	0	0	0	0	112.8	H549 V617 L618 M622 V663	H549-T620 HydrophobicContact CB-CG2 4.35Å; V617-T620 PolarHBondContact O-N 3.4Å; V617-T620 VanDerWaalsContact O-N 3.13Å; V617-T620 PolarHBondContact O-OG1 3.11Å; L618-T620 VanDerWaalsContact C-N 3.31Å; T620-M622 WeakPolarHBondContact O-CE 3.5Å; T620-M622 PolarHBondContact O-N 3.39Å; T620-M622 VanDerWaalsContact O-N 3.11Å; T620-V663 HydrophobicContact CG2-CG1 3.68Å
621	D	98	Very high	95	Very high	9 Å²	9	38 Å²	38	5%	0.048	21%	0.21	C	C	.	.			trans	-62.6	113.6	169.1	175.4	-7.9	0	0	0	109.5	S576 E579 A619 S623 K624	S576-D621 WeakPolarHBondContact CB-OD2 3.35Å; S576-D621 PolarHBondContact OG-OD2 3.15Å; E579-D621 HydrophobicContact CG-CB 3.88Å; A619-D621 PolarHBondContact O-N 3.15Å; D621-S623 PolarHBondContact O-N 3.38Å; D621-S623 WeakPolarHBondContact OD1-CB 3.46Å; D621-S623 PolarHBondContact OD1-N 3.49Å; D621-S623 PolarHBondContact OD1-OG 2.9Å; D621-S623 PolarHBondContact OD2-OG 2.81Å; D621-K624 HydrophobicContact CB-CG 3.99Å; D621-K624 VanDerWaalsContact O-CB 3.31Å; D621-K624 WeakPolarHBondContact O-CB 3.31Å; D621-K624 PolarHBondContact O-N 3.05Å; D621-K624 IonicContact OD2-NZ 3.39Å; D621-K624 PolarHBondContact OD2-NZ 2.76Å
622	M	95.1	Very high	94.6	Very high	82 Å²	82	35 Å²	35	40%	0.404	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-57.9	-22.1	-177.8	-67.5	-62.6	116.8	0	0	113.8	T620 K624 H625 H664 L668	T620-M622 WeakPolarHBondContact O-CE 3.5Å; T620-M622 PolarHBondContact O-N 3.39Å; T620-M622 VanDerWaalsContact O-N 3.11Å; M622-K624 PolarHBondContact O-N 3.1Å; M622-H625 VanDerWaalsContact O-CB 3.31Å; M622-H625 WeakPolarHBondContact O-CB 3.37Å; M622-H625 PolarHBondContact O-N 3.35Å; M622-H664 WeakPolarHBondContact CE-CE1 3.44Å; M622-L668 HydrophobicContact CE-CD1 4.4Å; M622-L668 HydrophobicContact CE-CD2 4.11Å; M622-L668 HydrophobicContact CE-CG 4.29Å; M622-L668 HydrophobicContact SD-CD1 4.08Å; M622-L668 HydrophobicContact SD-CD2 3.87Å; M622-L668 HydrophobicContact SD-CG 4.35Å
623	S	94	Very high	94.2	Very high	85 Å²	85	39.2 Å²	39.2	59%	0.594	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-65.1	-17.8	172.4	75.9	0	0	0	0	113.4	D621	D621-S623 PolarHBondContact O-N 3.38Å; D621-S623 WeakPolarHBondContact OD1-CB 3.46Å; D621-S623 PolarHBondContact OD1-N 3.49Å; D621-S623 PolarHBondContact OD1-OG 2.9Å; D621-S623 PolarHBondContact OD2-OG 2.81Å
624	K	92.9	Very high	93.4	Very high	83 Å²	83	43 Å²	43	36%	0.361	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-91.9	-7	178.9	-50.8	-56.5	178.5	-118.9	0	113.5	D621 M622 M626 S627 L628	D621-K624 HydrophobicContact CB-CG 3.99Å; D621-K624 VanDerWaalsContact O-CB 3.31Å; D621-K624 WeakPolarHBondContact O-CB 3.31Å; D621-K624 PolarHBondContact O-N 3.05Å; D621-K624 IonicContact OD2-NZ 3.39Å; D621-K624 PolarHBondContact OD2-NZ 2.76Å; M622-K624 PolarHBondContact O-N 3.1Å; K624-M626 VanDerWaalsContact C-N 3.3Å; K624-M626 PolarHBondContact O-N 3.31Å; K624-M626 VanDerWaalsContact O-N 3.16Å; K624-S627 WeakPolarHBondContact O-CB 3.5Å; K624-S627 PolarHBondContact O-N 2.94Å; K624-L628 PolarHBondContact O-N 3.21Å; K624-L628 VanDerWaalsContact O-N 3.1Å
625	H	94.7	Very high	92.7	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-47.7	-48.6	-174.9	176.8	101.6	0	0	0	112.9	M622 S627 L628 L629 H664 I725	M622-H625 VanDerWaalsContact O-CB 3.31Å; M622-H625 WeakPolarHBondContact O-CB 3.37Å; M622-H625 PolarHBondContact O-N 3.35Å; H625-S627 VanDerWaalsContact C-N 3.3Å; H625-S627 PolarHBondContact O-N 2.78Å; H625-L628 PolarHBondContact O-N 2.98Å; H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 3.46Å; H625-H664 AromaticContact CE1-NE2 3.99Å; H625-H664 AromaticContact CG-NE2 3.68Å; H625-H664 AromaticContact ND1-CE1 3.9Å; H625-H664 AromaticContact ND1-NE2 3.05Å; H625-H664 PolarHBondContact ND1-NE2 2.88Å; H625-I725 VanDerWaalsContact CE1-CG2 3.46Å; H625-I725 WeakPolarHBondContact CE1-CG2 3.15Å; H625-I725 PolarHBondContact CE1-O 3.24Å; H625-I725 VanDerWaalsContact CE1-O 3.31Å
626	M	91.4	Very high	92	Very high	115 Å²	115	39.8 Å²	39.8	57%	0.567	22%	0.223	S	C	*	.	H	α-helix	trans	-67	-30.8	-177.3	-64.9	-60.3	151.9	0	0	113.2	K624 A630 I725	K624-M626 VanDerWaalsContact C-N 3.3Å; K624-M626 PolarHBondContact O-N 3.31Å; K624-M626 VanDerWaalsContact O-N 3.16Å; M626-A630 WeakPolarHBondContact O-CB 3.39Å; M626-A630 PolarHBondContact O-N 3.21Å; M626-A630 VanDerWaalsContact O-N 3.09Å; M626-I725 HydrophobicContact CE-CD1 4.07Å
627	S	91	Very high	91.1	Very high	73 Å²	73	45.7 Å²	45.7	51%	0.51	25%	0.251	S	S	.	.	H	α-helix	trans	-69.9	-45.1	174.6	-168.3	0	0	0	0	110.9	K624 H625 A630 D631	K624-S627 WeakPolarHBondContact O-CB 3.5Å; K624-S627 PolarHBondContact O-N 2.94Å; H625-S627 VanDerWaalsContact C-N 3.3Å; H625-S627 PolarHBondContact O-N 2.78Å; S627-A630 PolarHBondContact O-N 2.92Å; S627-D631 PolarHBondContact O-N 2.97Å
628	L	92.7	Very high	90	Very high	9 Å²	9	50 Å²	50	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-44.4	178.2	-69.7	171.6	0	0	0	111.6	A619 K624 H625 A630 D631 L632 Q660 N661 H664	A619-L628 HydrophobicContact CB-CD1 4.17Å; A619-L628 HydrophobicContact CB-CD2 4.2Å; A619-L628 VanDerWaalsContact O-CD1 3.25Å; A619-L628 WeakPolarHBondContact O-CD1 3.5Å; K624-L628 PolarHBondContact O-N 3.21Å; K624-L628 VanDerWaalsContact O-N 3.1Å; H625-L628 PolarHBondContact O-N 2.98Å; L628-A630 PolarHBondContact O-N 3.32Å; L628-D631 PolarHBondContact O-N 3.18Å; L628-L632 WeakPolarHBondContact O-CB 3.39Å; L628-L632 PolarHBondContact O-N 2.83Å; L628-Q660 HydrophobicContact CD2-CB 3.92Å; L628-N661 PolarHBondContact O-ND2 3.43Å; L628-N661 PolarHBondContact O-OD1 3.05Å; L628-H664 HydrophobicContact CD1-CB 4.13Å
629	L	91.9	Very high	88.7	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-39.6	177.7	-176.3	58.9	0	0	0	112.2	H625 L632 K633 P728 T732	H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 3.46Å; L629-L632 PolarHBondContact O-N 3.09Å; L629-K633 HydrophobicContact CD1-CG 4.48Å; L629-K633 WeakPolarHBondContact O-CB 3.43Å; L629-K633 WeakPolarHBondContact O-CG 3.26Å; L629-K633 PolarHBondContact O-N 3.32Å; L629-P728 HydrophobicContact CD2-CB 4.03Å; L629-T732 HydrophobicContact CD1-CG2 4.42Å; L629-T732 WeakPolarHBondContact CD1-OG1 3.23Å
630	A	87.5	Confident	87.5	Confident	49 Å²	49	55 Å²	55	41%	0.405	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.6	0	0	0	0	0	112	M626 S627 L628 K633 T634	M626-A630 WeakPolarHBondContact O-CB 3.39Å; M626-A630 PolarHBondContact O-N 3.21Å; M626-A630 VanDerWaalsContact O-N 3.09Å; S627-A630 PolarHBondContact O-N 2.92Å; L628-A630 PolarHBondContact O-N 3.32Å; A630-K633 PolarHBondContact O-N 2.88Å; A630-T634 PolarHBondContact O-N 3.28Å; A630-T634 PolarHBondContact O-OG1 3.3Å
631	D	85.9	Confident	85.7	Confident	54 Å²	54	61 Å²	61	29%	0.289	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-44.6	175.3	-75.5	-3.1	0	0	0	110.9	S627 L628 T634 M635 Q657	S627-D631 PolarHBondContact O-N 2.97Å; L628-D631 PolarHBondContact O-N 3.18Å; D631-T634 PolarHBondContact O-N 3.44Å; D631-M635 PolarHBondContact O-N 3.13Å; D631-Q657 PolarHBondContact OD2-NE2 3.36Å
632	L	88.7	Confident	84.1	Confident	1 Å²	1	64 Å²	64	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-45.9	178.3	-169	64.9	0	0	0	112	L628 L629 T634 M635 V636 N661 L729 T732 W733 L736	L628-L632 WeakPolarHBondContact O-CB 3.39Å; L628-L632 PolarHBondContact O-N 2.83Å; L629-L632 PolarHBondContact O-N 3.09Å; L632-T634 PolarHBondContact O-N 3.35Å; L632-M635 WeakPolarHBondContact O-CB 3.35Å; L632-M635 PolarHBondContact O-N 3.13Å; L632-V636 WeakPolarHBondContact O-CG2 3.41Å; L632-V636 PolarHBondContact O-N 2.88Å; L632-N661 HydrophobicContact CD1-CB 4.02Å; L632-N661 HydrophobicContact CD2-CB 4.34Å; L632-L729 HydrophobicContact CD2-CD1 4.25Å; L632-T732 HydrophobicContact CB-CG2 4.11Å; L632-T732 HydrophobicContact CD2-CG2 3.79Å; L632-T732 HydrophobicContact CG-CG2 3.66Å; L632-W733 HydrophobicContact CD1-CE3 4.44Å; L632-W733 HydrophobicContact CD2-CB 4.44Å; L632-L736 HydrophobicContact CD1-CD2 3.66Å
633	K	88.5	Confident	82.5	Confident	90 Å²	90	63.6 Å²	63.6	39%	0.391	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.6	-78.7	-175.3	176.8	-174.8	0	111.9	L629 A630 M635 V636 E637 T732	L629-K633 HydrophobicContact CD1-CG 4.48Å; L629-K633 WeakPolarHBondContact O-CB 3.43Å; L629-K633 WeakPolarHBondContact O-CG 3.26Å; L629-K633 PolarHBondContact O-N 3.32Å; A630-K633 PolarHBondContact O-N 2.88Å; K633-M635 PolarHBondContact O-N 3.15Å; K633-V636 PolarHBondContact O-N 3.37Å; K633-E637 WeakPolarHBondContact O-CG 3.48Å; K633-E637 PolarHBondContact O-N 3.43Å; K633-T732 HydrophobicContact CB-CG2 4.29Å; K633-T732 WeakPolarHBondContact CE-OG1 3.36Å; K633-T732 HydrophobicContact CG-CG2 3.51Å
634	T	83	Confident	80.8	Confident	80 Å²	80	61.8 Å²	61.8	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-39.3	177.3	-55.8	0	0	0	0	111.4	A630 D631 L632 T638	A630-T634 PolarHBondContact O-N 3.28Å; A630-T634 PolarHBondContact O-OG1 3.3Å; D631-T634 PolarHBondContact O-N 3.44Å; L632-T634 PolarHBondContact O-N 3.35Å; T634-T638 PolarHBondContact O-N 3.32Å; T634-T638 PolarHBondContact O-OG1 3.04Å
635	M	82.4	Confident	79.2	Confident	19 Å²	19	60.8 Å²	60.8	9%	0.094	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-42.6	177.5	-167.8	178.2	-65.4	0	0	112.5	D631 L632 K633 T638 K639 D654 Q657 I658 L736	D631-M635 PolarHBondContact O-N 3.13Å; L632-M635 WeakPolarHBondContact O-CB 3.35Å; L632-M635 PolarHBondContact O-N 3.13Å; K633-M635 PolarHBondContact O-N 3.15Å; M635-T638 PolarHBondContact O-N 2.89Å; M635-K639 WeakPolarHBondContact O-CB 3.47Å; M635-K639 PolarHBondContact O-N 3.36Å; M635-D654 HydrophobicContact CE-CB 4.22Å; M635-D654 WeakPolarHBondContact CE-O 3.44Å; M635-Q657 HydrophobicContact CE-CB 3.77Å; M635-I658 HydrophobicContact CE-CG1 3.8Å; M635-I658 HydrophobicContact SD-CD1 3.46Å; M635-I658 WeakPolarHBondContact SD-CD1 3.49Å; M635-I658 HydrophobicContact SD-CG1 3.24Å; M635-I658 WeakPolarHBondContact SD-CG1 3.41Å; M635-L736 HydrophobicContact CG-CD1 4.32Å; M635-L736 HydrophobicContact SD-CD1 4.39Å
636	V	83.9	Confident	77.6	Confident	6 Å²	6	65.4 Å²	65.4	4%	0.036	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-46.1	174.4	169	0	0	0	0	111.2	L632 K633 T638 K639 K640 T732 D735 L736	L632-V636 WeakPolarHBondContact O-CG2 3.41Å; L632-V636 PolarHBondContact O-N 2.88Å; K633-V636 PolarHBondContact O-N 3.37Å; V636-T638 VanDerWaalsContact C-N 3.32Å; V636-T638 PolarHBondContact O-N 2.86Å; V636-K639 WeakPolarHBondContact O-CB 3.44Å; V636-K639 PolarHBondContact O-N 2.89Å; V636-K640 HydrophobicContact CG1-CD 4.1Å; V636-K640 WeakPolarHBondContact O-CG 3.39Å; V636-K640 PolarHBondContact O-N 2.87Å; V636-T732 HydrophobicContact CG2-CG2 4.02Å; V636-D735 HydrophobicContact CG1-CB 3.84Å; V636-D735 HydrophobicContact CG2-CB 4.34Å; V636-L736 HydrophobicContact CG2-CB 3.72Å; V636-L736 HydrophobicContact CG2-CD1 4.01Å; V636-L736 HydrophobicContact CG2-CG 4.46Å
637	E	79.8	Confident	76.5	Confident	124 Å²	124	60.4 Å²	60.4	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-60.4	-43.1	177.5	-71.8	175.1	-176.4	0	0	111.4	K633 K640 V641	K633-E637 WeakPolarHBondContact O-CG 3.48Å; K633-E637 PolarHBondContact O-N 3.43Å; E637-K640 PolarHBondContact O-N 3.03Å; E637-V641 WeakPolarHBondContact O-CG2 3.39Å; E637-V641 PolarHBondContact O-N 3.17Å; E637-V641 VanDerWaalsContact O-N 3.13Å
638	T	74.2	Confident	75.3	Confident	91 Å²	91	62 Å²	62	56%	0.558	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-40.2	177.6	-53.6	0	0	0	0	111.9	T634 M635 V636 V641 A642	T634-T638 PolarHBondContact O-N 3.32Å; T634-T638 PolarHBondContact O-OG1 3.04Å; M635-T638 PolarHBondContact O-N 2.89Å; V636-T638 VanDerWaalsContact C-N 3.32Å; V636-T638 PolarHBondContact O-N 2.86Å; T638-V641 PolarHBondContact O-N 2.87Å; T638-A642 PolarHBondContact O-N 2.67Å; T638-A642 VanDerWaalsContact O-N 3.09Å
639	K	72.5	Confident	74.2	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.13	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-46.9	173.5	-174.7	-164.5	-179.3	-175.6	0	111.2	M635 V636 V641 A642 G643 L647 L736	M635-K639 WeakPolarHBondContact O-CB 3.47Å; M635-K639 PolarHBondContact O-N 3.36Å; V636-K639 WeakPolarHBondContact O-CB 3.44Å; V636-K639 PolarHBondContact O-N 2.89Å; K639-V641 VanDerWaalsContact C-N 3.27Å; K639-V641 PolarHBondContact O-N 3.34Å; K639-A642 PolarHBondContact O-N 3.24Å; K639-A642 VanDerWaalsContact O-N 3.13Å; K639-G643 PolarHBondContact O-N 3Å; K639-L647 HydrophobicContact CB-CD2 4.06Å; K639-L647 HydrophobicContact CD-CD2 3.75Å; K639-L647 HydrophobicContact CD-CG 3.97Å; K639-L647 HydrophobicContact CG-CD2 3.81Å; K639-L647 HydrophobicContact CG-CG 4.38Å; K639-L736 HydrophobicContact CD-CD1 4.41Å; K639-L736 PolarHBondContact NZ-O 3.06Å
640	K	71.2	Confident	73.1	Confident	130 Å²	130	70.7 Å²	70.7	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-59.1	-38.9	179.3	-73.9	174.6	-178.7	174.2	0	111.6	V636 E637 D735	V636-K640 HydrophobicContact CG1-CD 4.1Å; V636-K640 WeakPolarHBondContact O-CG 3.39Å; V636-K640 PolarHBondContact O-N 2.87Å; E637-K640 PolarHBondContact O-N 3.03Å; K640-D735 IonicContact NZ-OD2 3.67Å; K640-D735 PolarHBondContact NZ-OD2 3.01Å
641	V	60.1	Low	72.6	Confident	131 Å²	131	71.7 Å²	71.7	79%	0.794	42%	0.421	S	S	*	.	H	α-helix	trans	-68.9	-36.3	176.4	174.3	0	0	0	0	112.4	E637 T638 K639 G643	E637-V641 WeakPolarHBondContact O-CG2 3.39Å; E637-V641 PolarHBondContact O-N 3.17Å; E637-V641 VanDerWaalsContact O-N 3.13Å; T638-V641 PolarHBondContact O-N 2.87Å; K639-V641 VanDerWaalsContact C-N 3.27Å; K639-V641 PolarHBondContact O-N 3.34Å; V641-G643 VanDerWaalsContact C-N 3.26Å; V641-G643 PolarHBondContact O-N 3.22Å
642	A	64.8	Low	72.5	Confident	74 Å²	74	70 Å²	70	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-69.9	-21	-179.7	0	0	0	0	0	113.6	T638 K639 S644	T638-A642 PolarHBondContact O-N 2.67Å; T638-A642 VanDerWaalsContact O-N 3.09Å; K639-A642 PolarHBondContact O-N 3.24Å; K639-A642 VanDerWaalsContact O-N 3.13Å; A642-S644 PolarHBondContact O-N 2.99Å
643	G	61.8	Low	72.4	Confident	72 Å²	72	73.8 Å²	73.8	74%	0.742	43%	0.43	S	S	*	.			trans	67.2	3	176.8	0	0	0	0	0	115.1	K639 V641	K639-G643 PolarHBondContact O-N 3Å; V641-G643 VanDerWaalsContact C-N 3.26Å; V641-G643 PolarHBondContact O-N 3.22Å
644	S	58.2	Low	72.2	Confident	48 Å²	48	72 Å²	72	34%	0.336	43%	0.425	S	S	.	.			trans	-86.7	124.8	173.4	177	0	0	0	0	109.4	A642 I646	A642-S644 PolarHBondContact O-N 2.99Å; S644-I646 WeakPolarHBondContact CB-O 3.46Å; S644-I646 PolarHBondContact O-N 2.92Å; S644-I646 PolarHBondContact OG-N 3.47Å; S644-I646 PolarHBondContact OG-O 2.75Å
645	G	59	Low	72.6	Confident	61 Å²	61	69.4 Å²	69.4	63%	0.629	41%	0.406	S	S	*	.	S	Bend	trans	-63.1	-19.8	170.5	0	0	0	0	0	113
646	I	61.3	Low	73.2	Confident	104 Å²	104	69 Å²	69	53%	0.533	40%	0.404	S	S	.	.	S	Bend	trans	-99	128.5	178.9	-58.1	170.8	0	0	0	109.2	S644 T648	S644-I646 WeakPolarHBondContact CB-O 3.46Å; S644-I646 PolarHBondContact O-N 2.92Å; S644-I646 PolarHBondContact OG-N 3.47Å; S644-I646 PolarHBondContact OG-O 2.75Å; I646-T648 PolarHBondContact O-N 3.22Å; I646-T648 VanDerWaalsContact O-N 3.16Å
647	L	68.3	Low	73.5	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.047	41%	0.411	C	S	.	.			trans	-72.5	99.4	173.5	-79.6	159.7	0	0	0	110	L530 V533 K639 L649 I658 L736	L530-L647 HydrophobicContact CD2-CD1 3.8Å; V533-L647 HydrophobicContact CG2-CB 4.49Å; V533-L647 WeakPolarHBondContact CG2-O 3.46Å; K639-L647 HydrophobicContact CB-CD2 4.06Å; K639-L647 HydrophobicContact CD-CD2 3.75Å; K639-L647 HydrophobicContact CD-CG 3.97Å; K639-L647 HydrophobicContact CG-CD2 3.81Å; K639-L647 HydrophobicContact CG-CG 4.38Å; L647-L649 HydrophobicContact CB-CD1 4.37Å; L647-L649 HydrophobicContact CB-CG 4.27Å; L647-L649 HydrophobicContact CD2-CD2 4.47Å; L647-L649 PolarHBondContact O-N 2.99Å; L647-I658 HydrophobicContact CD1-CD1 4.21Å; L647-L736 HydrophobicContact CD1-CD1 3.69Å; L647-L736 HydrophobicContact CD1-CD2 4.46Å; L647-L736 HydrophobicContact CD1-CG 3.87Å; L647-L736 HydrophobicContact CD2-CD1 3.83Å; L647-L736 HydrophobicContact CG-CD1 4.35Å
648	T	64.8	Low	74.2	Confident	107 Å²	107	64.7 Å²	64.7	66%	0.656	38%	0.383	S	S	*	.			trans	-86	95	172.7	54.8	0	0	0	0	109.7	I646	I646-T648 PolarHBondContact O-N 3.22Å; I646-T648 VanDerWaalsContact O-N 3.16Å
649	L	70.4	Confident	75.3	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.136	36%	0.357	C	S	.	.			trans	-108	91	-177.9	-57	172.8	0	0	0	110.8	V533 L647 N651 D654 R655 I658	V533-L649 HydrophobicContact CG1-CB 4.37Å; V533-L649 HydrophobicContact CG1-CD1 3.81Å; V533-L649 HydrophobicContact CG1-CG 4.42Å; L647-L649 HydrophobicContact CB-CD1 4.37Å; L647-L649 HydrophobicContact CB-CG 4.27Å; L647-L649 HydrophobicContact CD2-CD2 4.47Å; L647-L649 PolarHBondContact O-N 2.99Å; L649-N651 VanDerWaalsContact C-N 3.35Å; L649-D654 HydrophobicContact CD2-CB 3.91Å; L649-R655 HydrophobicContact CB-CG 3.75Å; L649-R655 HydrophobicContact CD1-CG 4.35Å; L649-R655 PolarHBondContact O-NH1 2.97Å; L649-I658 HydrophobicContact CD1-CD1 3.14Å; L649-I658 HydrophobicContact CD1-CG1 4.1Å
650	E	67.9	Low	76.5	Confident	178 Å²	178	60.7 Å²	60.7	83%	0.832	36%	0.359	S	S	*	.			trans	-74.6	-30.7	178.2	-61.7	-173.8	171.1	0	0	111.7	R655	E650-R655 PolarHBondContact O-NH1 3.03Å
651	N	78.2	Confident	77.7	Confident	71 Å²	71	54.5 Å²	54.5	38%	0.38	33%	0.332	S	S	.	.	S	Bend	trans	-85.2	136.2	-173.2	-173.7	10.5	0	0	0	112.4	L649 I653 D654 R655	L649-N651 VanDerWaalsContact C-N 3.35Å; N651-I653 VanDerWaalsContact C-N 3.27Å; N651-I653 PolarHBondContact O-N 3.13Å; N651-I653 PolarHBondContact OD1-N 3.42Å; N651-D654 HydrophobicContact CB-CB 4.48Å; N651-D654 PolarHBondContact ND2-OD1 3.4Å; N651-D654 VanDerWaalsContact ND2-OD1 3.07Å; N651-D654 PolarHBondContact O-N 2.87Å; N651-R655 PolarHBondContact O-N 3.46Å
652	Y	83.9	Confident	79.5	Confident	18 Å²	18	48.3 Å²	48.3	7%	0.071	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-39	173.4	168.8	-88.3	0	0	0	112.2	D233 M612 D654 R655 M656	D233-Y652 HydrophobicContact CB-CD2 4.2Å; D233-Y652 HydrophobicContact CB-CG 4.22Å; M612-Y652 HydrophobicContact CG-CE2 4.04Å; M612-Y652 HydrophobicContact SD-CE2 4.15Å; Y652-D654 PolarHBondContact O-N 3.29Å; Y652-R655 PolarHBondContact O-N 3.35Å; Y652-M656 HydrophobicContact CE1-CB 4.28Å; Y652-M656 HydrophobicContact CE2-CE 4.24Å; Y652-M656 WeakPolarHBondContact O-CB 3.47Å; Y652-M656 PolarHBondContact O-N 3.32Å; Y652-M656 WeakPolarHBondContact OH-CE 3.38Å
653	I	85.4	Confident	81.1	Confident	80 Å²	80	44.8 Å²	44.8	41%	0.41	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-48	-177.1	-60.4	175.3	0	0	0	109.9	N651 R655 M656 Q657	N651-I653 VanDerWaalsContact C-N 3.27Å; N651-I653 PolarHBondContact O-N 3.13Å; N651-I653 PolarHBondContact OD1-N 3.42Å; I653-R655 PolarHBondContact O-N 3.26Å; I653-M656 PolarHBondContact O-N 2.94Å; I653-Q657 WeakPolarHBondContact O-CG 3.45Å; I653-Q657 PolarHBondContact O-N 3.18Å
654	D	85.9	Confident	82.8	Confident	54 Å²	54	41.3 Å²	41.3	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-42.4	-178.6	-45.7	0.6	0	0	0	110.6	M635 L649 N651 Y652 M656 Q657 I658	M635-D654 HydrophobicContact CE-CB 4.22Å; M635-D654 WeakPolarHBondContact CE-O 3.44Å; L649-D654 HydrophobicContact CD2-CB 3.91Å; N651-D654 HydrophobicContact CB-CB 4.48Å; N651-D654 PolarHBondContact ND2-OD1 3.4Å; N651-D654 VanDerWaalsContact ND2-OD1 3.07Å; N651-D654 PolarHBondContact O-N 2.87Å; Y652-D654 PolarHBondContact O-N 3.29Å; D654-M656 PolarHBondContact O-N 3.3Å; D654-Q657 PolarHBondContact O-N 2.98Å; D654-I658 PolarHBondContact O-N 2.94Å; D654-I658 VanDerWaalsContact O-N 3.16Å
655	R	91	Very high	84.7	Confident	24 Å²	24	39 Å²	39	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-42.3	174.6	-67.8	-163.7	-53.2	-82.2	-3	112	V533 F534 E538 L649 E650 N651 Y652 I653 I658 L659	V533-R655 HydrophobicContact CG1-CG 4.46Å; V533-R655 VanDerWaalsContact O-CD 3.26Å; V533-R655 WeakPolarHBondContact O-CD 3.48Å; F534-R655 HydrophobicContact CD1-CB 4.46Å; F534-R655 HydrophobicContact CE1-CB 4.17Å; E538-R655 IonicContact OE1-CZ 2.68Å; E538-R655 IonicContact OE1-NE 3.35Å; E538-R655 PolarHBondContact OE1-NE 3.35Å; E538-R655 IonicContact OE1-NH2 2.64Å; E538-R655 PolarHBondContact OE1-NH2 2.95Å; E538-R655 IonicContact OE2-NE 2.58Å; L649-R655 HydrophobicContact CB-CG 3.75Å; L649-R655 HydrophobicContact CD1-CG 4.35Å; L649-R655 PolarHBondContact O-NH1 2.97Å; E650-R655 PolarHBondContact O-NH1 3.03Å; N651-R655 PolarHBondContact O-N 3.46Å; Y652-R655 PolarHBondContact O-N 3.35Å; I653-R655 PolarHBondContact O-N 3.26Å; R655-I658 PolarHBondContact O-N 3.24Å; R655-L659 WeakPolarHBondContact O-CG 3.5Å; R655-L659 PolarHBondContact O-N 2.9Å
656	M	93.7	Very high	86.6	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-42	177	-177.9	51.3	59.9	0	0	111.8	M612 D615 M616 Y652 I653 D654 I658 L659 Q660	M612-M656 HydrophobicContact CB-CE 3.61Å; M612-M656 HydrophobicContact CG-CE 3.4Å; M612-M656 VanDerWaalsContact CG-CE 3.4Å; M612-M656 HydrophobicContact SD-CE 4.1Å; D615-M656 HydrophobicContact CB-CG 4.37Å; D615-M656 HydrophobicContact CB-SD 3.9Å; M616-M656 HydrophobicContact CG-SD 3.97Å; Y652-M656 HydrophobicContact CE1-CB 4.28Å; Y652-M656 HydrophobicContact CE2-CE 4.24Å; Y652-M656 WeakPolarHBondContact O-CB 3.47Å; Y652-M656 PolarHBondContact O-N 3.32Å; Y652-M656 WeakPolarHBondContact OH-CE 3.38Å; I653-M656 PolarHBondContact O-N 2.94Å; D654-M656 PolarHBondContact O-N 3.3Å; M656-I658 VanDerWaalsContact C-N 3.3Å; M656-I658 PolarHBondContact O-N 3.03Å; M656-L659 HydrophobicContact CE-CD1 4.47Å; M656-L659 PolarHBondContact O-N 3.49Å; M656-L659 VanDerWaalsContact O-N 3.15Å; M656-Q660 HydrophobicContact CG-CG 4.3Å; M656-Q660 WeakPolarHBondContact O-CB 3.39Å; M656-Q660 WeakPolarHBondContact O-CG 3.41Å; M656-Q660 PolarHBondContact O-N 3.36Å; M656-Q660 HydrophobicContact SD-CG 3.96Å
657	Q	91.8	Very high	88.4	Confident	41 Å²	41	31.8 Å²	31.8	19%	0.192	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-39.1	176.1	-77.3	177.9	-36.1	0	0	112.3	D631 M635 I653 D654 N661	D631-Q657 PolarHBondContact OD2-NE2 3.36Å; M635-Q657 HydrophobicContact CE-CB 3.77Å; I653-Q657 WeakPolarHBondContact O-CG 3.45Å; I653-Q657 PolarHBondContact O-N 3.18Å; D654-Q657 PolarHBondContact O-N 2.98Å; Q657-N661 WeakPolarHBondContact O-CB 3.33Å; Q657-N661 PolarHBondContact O-N 3Å; Q657-N661 VanDerWaalsContact O-N 3.1Å; Q657-N661 PolarHBondContact O-ND2 3.39Å
658	I	93.8	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-45.6	172.9	-60.5	-170.5	0	0	0	111	L530 F534 M635 L647 L649 D654 R655 M656 Q660 N661 M662 W733 L736	L530-I658 HydrophobicContact CD2-CD1 4.42Å; L530-I658 HydrophobicContact CD2-CG2 4.42Å; F534-I658 HydrophobicContact CZ-CB 4.03Å; F534-I658 HydrophobicContact CZ-CG2 3.7Å; M635-I658 HydrophobicContact CE-CG1 3.8Å; M635-I658 HydrophobicContact SD-CD1 3.46Å; M635-I658 WeakPolarHBondContact SD-CD1 3.49Å; M635-I658 HydrophobicContact SD-CG1 3.24Å; M635-I658 WeakPolarHBondContact SD-CG1 3.41Å; L647-I658 HydrophobicContact CD1-CD1 4.21Å; L649-I658 HydrophobicContact CD1-CD1 3.14Å; L649-I658 HydrophobicContact CD1-CG1 4.1Å; D654-I658 PolarHBondContact O-N 2.94Å; D654-I658 VanDerWaalsContact O-N 3.16Å; R655-I658 PolarHBondContact O-N 3.24Å; M656-I658 VanDerWaalsContact C-N 3.3Å; M656-I658 PolarHBondContact O-N 3.03Å; I658-Q660 VanDerWaalsContact C-N 3.34Å; I658-Q660 PolarHBondContact O-N 2.97Å; I658-N661 PolarHBondContact O-N 3.19Å; I658-M662 VanDerWaalsContact O-CB 3.32Å; I658-M662 WeakPolarHBondContact O-CB 3.42Å; I658-M662 PolarHBondContact O-N 3.38Å; I658-W733 HydrophobicContact CG2-CH2 4.03Å; I658-W733 HydrophobicContact CG2-CZ3 4.02Å; I658-L736 HydrophobicContact CD1-CD2 4.12Å; I658-L736 HydrophobicContact CG1-CD2 4.31Å; I658-L736 HydrophobicContact CG2-CD2 4.43Å
659	L	97.2	Very high	91.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-43.6	-179.9	-68.7	172.4	0	0	0	111.7	F534 E538 V542 M616 R655 M656 M662 V663	F534-L659 HydrophobicContact CD1-CD1 4.22Å; F534-L659 HydrophobicContact CD1-CD2 3.77Å; F534-L659 HydrophobicContact CD1-CG 4.01Å; F534-L659 HydrophobicContact CD2-CD2 4.41Å; F534-L659 HydrophobicContact CE1-CD1 4.22Å; F534-L659 HydrophobicContact CE1-CD2 3.58Å; F534-L659 HydrophobicContact CE1-CG 3.6Å; F534-L659 HydrophobicContact CE2-CD2 4.24Å; F534-L659 HydrophobicContact CG-CD2 4.19Å; F534-L659 HydrophobicContact CZ-CD2 3.83Å; F534-L659 HydrophobicContact CZ-CG 4.17Å; E538-L659 HydrophobicContact CB-CD1 4.02Å; E538-L659 HydrophobicContact CG-CD1 4.1Å; V542-L659 HydrophobicContact CB-CD2 4.11Å; V542-L659 HydrophobicContact CG1-CD2 4.26Å; V542-L659 HydrophobicContact CG2-CD2 4.19Å; M616-L659 HydrophobicContact CG-CB 4.39Å; M616-L659 HydrophobicContact SD-CB 3.8Å; R655-L659 WeakPolarHBondContact O-CG 3.5Å; R655-L659 PolarHBondContact O-N 2.9Å; M656-L659 HydrophobicContact CE-CD1 4.47Å; M656-L659 PolarHBondContact O-N 3.49Å; M656-L659 VanDerWaalsContact O-N 3.15Å; L659-M662 WeakPolarHBondContact O-CB 3.31Å; L659-M662 PolarHBondContact O-N 3.39Å; L659-V663 WeakPolarHBondContact O-CG2 3.42Å; L659-V663 PolarHBondContact O-N 3.08Å
660	Q	97.7	Very high	92.8	Very high	36 Å²	36	26.2 Å²	26.2	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-48.5	174.7	-72.5	174.4	-45.3	0	0	111.7	D615 M616 A619 L628 M656 I658 M662 V663 H664	D615-Q660 PolarHBondContact O-NE2 3.01Å; M616-Q660 HydrophobicContact CG-CG 4.27Å; A619-Q660 HydrophobicContact CB-CB 3.87Å; A619-Q660 HydrophobicContact CB-CG 3.83Å; L628-Q660 HydrophobicContact CD2-CB 3.92Å; M656-Q660 HydrophobicContact CG-CG 4.3Å; M656-Q660 WeakPolarHBondContact O-CB 3.39Å; M656-Q660 WeakPolarHBondContact O-CG 3.41Å; M656-Q660 PolarHBondContact O-N 3.36Å; M656-Q660 HydrophobicContact SD-CG 3.96Å; I658-Q660 VanDerWaalsContact C-N 3.34Å; I658-Q660 PolarHBondContact O-N 2.97Å; Q660-M662 VanDerWaalsContact C-N 3.3Å; Q660-M662 PolarHBondContact O-N 2.92Å; Q660-V663 PolarHBondContact O-N 3.35Å; Q660-H664 WeakPolarHBondContact O-CB 3.35Å; Q660-H664 PolarHBondContact O-N 3.13Å
661	N	96.7	Very high	94.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-33.5	176.7	-84.7	-79.8	0	0	0	112.5	L628 L632 Q657 I658 H664 C665 W733	L628-N661 PolarHBondContact O-ND2 3.43Å; L628-N661 PolarHBondContact O-OD1 3.05Å; L632-N661 HydrophobicContact CD1-CB 4.02Å; L632-N661 HydrophobicContact CD2-CB 4.34Å; Q657-N661 WeakPolarHBondContact O-CB 3.33Å; Q657-N661 PolarHBondContact O-N 3Å; Q657-N661 VanDerWaalsContact O-N 3.1Å; Q657-N661 PolarHBondContact O-ND2 3.39Å; I658-N661 PolarHBondContact O-N 3.19Å; N661-H664 PolarHBondContact O-N 2.72Å; N661-C665 WeakPolarHBondContact O-CB 3.44Å; N661-C665 PolarHBondContact O-N 2.87Å; N661-C665 PolarHBondContact O-SG 3.4Å; N661-W733 HydrophobicContact CB-CZ3 4.39Å
662	M	97.9	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.9	-44.8	177.2	-174.2	-174.3	-70.3	0	0	111.8	T521 L524 L525 L530 F534 I658 L659 Q660 H664 C665 A666 W733	T521-M662 HydrophobicContact CG2-CG 4.27Å; T521-M662 HydrophobicContact CG2-SD 3.89Å; L524-M662 HydrophobicContact CB-CG 3.94Å; L524-M662 HydrophobicContact CB-SD 4.25Å; L524-M662 HydrophobicContact CD1-CG 3.96Å; L525-M662 HydrophobicContact CD2-CE 3.86Å; L525-M662 HydrophobicContact CD2-SD 3.7Å; L525-M662 HydrophobicContact CG-CE 4.26Å; L525-M662 HydrophobicContact CG-SD 3.67Å; L530-M662 HydrophobicContact CD1-CE 3.6Å; F534-M662 HydrophobicContact CE2-CE 3.92Å; F534-M662 HydrophobicContact CZ-CE 4.41Å; I658-M662 VanDerWaalsContact O-CB 3.32Å; I658-M662 WeakPolarHBondContact O-CB 3.42Å; I658-M662 PolarHBondContact O-N 3.38Å; L659-M662 WeakPolarHBondContact O-CB 3.31Å; L659-M662 PolarHBondContact O-N 3.39Å; Q660-M662 VanDerWaalsContact C-N 3.3Å; Q660-M662 PolarHBondContact O-N 2.92Å; M662-H664 VanDerWaalsContact C-N 3.34Å; M662-C665 PolarHBondContact O-N 3.2Å; M662-A666 WeakPolarHBondContact O-CB 3.33Å; M662-A666 PolarHBondContact O-N 3.01Å; M662-W733 HydrophobicContact CB-CH2 3.61Å; M662-W733 HydrophobicContact CB-CZ2 4.45Å; M662-W733 HydrophobicContact CB-CZ3 3.96Å; M662-W733 HydrophobicContact CE-CH2 3.72Å; M662-W733 HydrophobicContact CE-CZ2 4.18Å; M662-W733 HydrophobicContact CG-CH2 3.82Å; M662-W733 HydrophobicContact CG-CZ2 4.22Å
663	V	98.5	Very high	95.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.4	178.9	0	0	0	0	109.8	V542 M616 T620 L659 Q660 C665 A666 D667	V542-V663 HydrophobicContact CG2-CG2 3.45Å; V542-V663 VanDerWaalsContact CG2-CG2 3.45Å; M616-V663 HydrophobicContact CB-CG2 4.37Å; M616-V663 HydrophobicContact SD-CG2 4.21Å; T620-V663 HydrophobicContact CG2-CG1 3.68Å; L659-V663 WeakPolarHBondContact O-CG2 3.42Å; L659-V663 PolarHBondContact O-N 3.08Å; Q660-V663 PolarHBondContact O-N 3.35Å; V663-C665 PolarHBondContact O-N 2.87Å; V663-A666 WeakPolarHBondContact O-CB 3.36Å; V663-A666 PolarHBondContact O-N 3.1Å; V663-A666 VanDerWaalsContact O-N 3.13Å; V663-D667 WeakPolarHBondContact O-CB 3.19Å; V663-D667 PolarHBondContact O-N 3.25Å
664	H	97.9	Very high	96.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-39.2	178.8	-167.2	58.1	0	0	0	113.1	M622 H625 L628 Q660 N661 M662 L668	M622-H664 WeakPolarHBondContact CE-CE1 3.44Å; H625-H664 AromaticContact CE1-NE2 3.99Å; H625-H664 AromaticContact CG-NE2 3.68Å; H625-H664 AromaticContact ND1-CE1 3.9Å; H625-H664 AromaticContact ND1-NE2 3.05Å; H625-H664 PolarHBondContact ND1-NE2 2.88Å; L628-H664 HydrophobicContact CD1-CB 4.13Å; Q660-H664 WeakPolarHBondContact O-CB 3.35Å; Q660-H664 PolarHBondContact O-N 3.13Å; N661-H664 PolarHBondContact O-N 2.72Å; M662-H664 VanDerWaalsContact C-N 3.34Å; H664-L668 WeakPolarHBondContact O-CB 3.44Å; H664-L668 WeakPolarHBondContact O-CG 3.29Å; H664-L668 PolarHBondContact O-N 2.88Å
665	C	98.2	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-41.3	172.4	-68.6	0	0	0	0	111.6	L524 N661 M662 V663 L668 S669 W730	L524-C665 HydrophobicContact CD1-CB 4.22Å; N661-C665 WeakPolarHBondContact O-CB 3.44Å; N661-C665 PolarHBondContact O-N 2.87Å; N661-C665 PolarHBondContact O-SG 3.4Å; M662-C665 PolarHBondContact O-N 3.2Å; V663-C665 PolarHBondContact O-N 2.87Å; C665-L668 CarbonylContact O-C 3.58Å; C665-L668 VanDerWaalsContact O-C 3.25Å; C665-L668 PolarHBondContact O-N 3.34Å; C665-S669 WeakPolarHBondContact O-CA 3.46Å; C665-S669 WeakPolarHBondContact O-CB 3.16Å; C665-S669 PolarHBondContact O-N 3.48Å; C665-S669 VanDerWaalsContact O-N 3.09Å; C665-W730 HydrophobicContact CB-CH2 4.19Å; C665-W730 HydrophobicContact CB-CZ2 4.04Å; C665-W730 VanDerWaalsContact O-CZ2 3.23Å; C665-W730 WeakPolarHBondContact O-CZ2 3.4Å
666	A	98.6	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-38.7	178.8	0	0	0	0	0	112.3	V517 T521 L524 M662 V663 S669	V517-A666 HydrophobicContact CG1-CB 3.88Å; T521-A666 WeakPolarHBondContact OG1-CB 3.48Å; L524-A666 HydrophobicContact CD1-CB 4.4Å; M662-A666 WeakPolarHBondContact O-CB 3.33Å; M662-A666 PolarHBondContact O-N 3.01Å; V663-A666 WeakPolarHBondContact O-CB 3.36Å; V663-A666 PolarHBondContact O-N 3.1Å; V663-A666 VanDerWaalsContact O-N 3.13Å; A666-S669 WeakPolarHBondContact O-CB 3.34Å; A666-S669 PolarHBondContact O-N 2.95Å; A666-S669 PolarHBondContact O-OG 2.75Å
667	D	98.6	Very high	97.6	Very high	12 Å²	12	16.8 Å²	16.8	6%	0.064	9%	0.09	C	C	.	.	H	α-helix	trans	-64.3	-45.6	173.1	-175.1	10.8	0	0	0	111.1	H513 H549 V663 S669	H513-D667 IonicContact CE1-OD1 3.23Å; H513-D667 PolarHBondContact CE1-OD1 3.14Å; H513-D667 IonicContact NE2-OD1 3.07Å; H513-D667 PolarHBondContact NE2-OD1 3.24Å; H549-D667 IonicContact NE2-OD1 3.77Å; V663-D667 WeakPolarHBondContact O-CB 3.19Å; V663-D667 PolarHBondContact O-N 3.25Å; D667-S669 PolarHBondContact O-N 3.4Å
668	L	98.4	Very high	97.9	Very high	13 Å²	13	14.9 Å²	14.9	7%	0.068	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	32.3	175.8	-58.8	-176.2	0	0	0	113.8	M622 H664 C665 F721 I725 L729 W730	M622-L668 HydrophobicContact CE-CD1 4.4Å; M622-L668 HydrophobicContact CE-CD2 4.11Å; M622-L668 HydrophobicContact CE-CG 4.29Å; M622-L668 HydrophobicContact SD-CD1 4.08Å; M622-L668 HydrophobicContact SD-CD2 3.87Å; M622-L668 HydrophobicContact SD-CG 4.35Å; H664-L668 WeakPolarHBondContact O-CB 3.44Å; H664-L668 WeakPolarHBondContact O-CG 3.29Å; H664-L668 PolarHBondContact O-N 2.88Å; C665-L668 CarbonylContact O-C 3.58Å; C665-L668 VanDerWaalsContact O-C 3.25Å; C665-L668 PolarHBondContact O-N 3.34Å; L668-F721 HydrophobicContact CD2-CZ 4.04Å; L668-I725 HydrophobicContact CD1-CG2 4.19Å; L668-L729 HydrophobicContact CB-CD2 4.24Å; L668-L729 HydrophobicContact CD1-CD2 3.82Å; L668-W730 PolarHBondContact O-NE1 3.17Å; L668-W730 VanDerWaalsContact O-NE1 3.13Å
669	S	98.5	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.2	-173	68.3	0	0	0	0	114.6	C665 A666 D667 A672 K673	C665-S669 WeakPolarHBondContact O-CA 3.46Å; C665-S669 WeakPolarHBondContact O-CB 3.16Å; C665-S669 PolarHBondContact O-N 3.48Å; C665-S669 VanDerWaalsContact O-N 3.09Å; A666-S669 WeakPolarHBondContact O-CB 3.34Å; A666-S669 PolarHBondContact O-N 2.95Å; A666-S669 PolarHBondContact O-OG 2.75Å; D667-S669 PolarHBondContact O-N 3.4Å; S669-A672 CarbonylContact O-C 3.59Å; S669-A672 WeakPolarHBondContact O-CA 3.46Å; S669-A672 PolarHBondContact O-N 3.45Å; S669-K673 PolarHBondContact O-N 2.69Å; S669-K673 VanDerWaalsContact OG-CE 3.25Å; S669-K673 WeakPolarHBondContact OG-CE 3.39Å; S669-K673 PolarHBondContact OG-NZ 3.45Å
670	N	98.5	Very high	98.2	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.064	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-53.1	-45.4	-170.7	-49.4	-34.5	0	0	0	113.9	Y508 A672 K673 Y678 W681	Y508-N670 VanDerWaalsContact CE2-ND2 3.25Å; Y508-N670 WeakPolarHBondContact CE2-ND2 3.34Å; Y508-N670 PolarHBondContact OH-ND2 2.96Å; N670-A672 PolarHBondContact O-N 2.73Å; N670-A672 VanDerWaalsContact O-N 3.15Å; N670-K673 WeakPolarHBondContact O-CB 3.3Å; N670-K673 PolarHBondContact O-N 3.42Å; N670-Y678 HydrophobicContact CB-CD2 4.15Å; N670-Y678 WeakPolarHBondContact O-CB 3.21Å; N670-Y678 WeakPolarHBondContact O-CD2 3.39Å; N670-W681 HydrophobicContact CB-CB 3.81Å; N670-W681 HydrophobicContact CB-CG 3.99Å
671	P	98.6	Very high	98.2	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.019	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-66.2	-15.7	180	-23	38.1	0	0	0	114.3	Y678 F721 I722 V726 L748 N751	P671-Y678 HydrophobicContact CB-CD1 4.48Å; P671-Y678 HydrophobicContact CB-CD2 4.38Å; P671-Y678 HydrophobicContact CB-CE1 3.85Å; P671-Y678 HydrophobicContact CB-CE2 3.8Å; P671-Y678 VanDerWaalsContact CB-CZ 3.5Å; P671-Y678 HydrophobicContact CG-CD2 4.39Å; P671-Y678 HydrophobicContact CG-CE2 3.64Å; P671-F721 HydrophobicContact CG-CD1 4.24Å; P671-F721 HydrophobicContact CG-CE1 4.03Å; P671-I722 HydrophobicContact CB-CD1 4.08Å; P671-I722 HydrophobicContact CB-CG1 3.87Å; P671-I722 HydrophobicContact CG-CG1 4.48Å; P671-V726 HydrophobicContact CB-CG1 4.15Å; P671-V726 HydrophobicContact CG-CG1 4.15Å; P671-V726 HydrophobicContact CG-CG2 4.17Å; P671-L748 HydrophobicContact CB-CD1 3.55Å; P671-L748 WeakPolarHBondContact O-CD1 3.33Å; P671-N751 PolarHBondContact O-ND2 2.85Å
672	A	98.4	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-102.1	7.8	176.7	0	0	0	0	0	112.9	W453 S669 N670 I744 L748	W453-A672 PolarHBondContact NE1-O 3.22Å; S669-A672 CarbonylContact O-C 3.59Å; S669-A672 WeakPolarHBondContact O-CA 3.46Å; S669-A672 PolarHBondContact O-N 3.45Å; N670-A672 PolarHBondContact O-N 2.73Å; N670-A672 VanDerWaalsContact O-N 3.15Å; A672-I744 HydrophobicContact CB-CG2 3.48Å; A672-I744 VanDerWaalsContact CB-CG2 3.48Å; A672-L748 HydrophobicContact CB-CB 3.99Å; A672-L748 HydrophobicContact CB-CD1 4.38Å
673	K	98.4	Very high	98.3	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.134	C	C	.	.	S	Bend	trans	-84.4	160.9	170.2	-60.2	-66.3	169.2	69.1	0	110.1	W453 D516 S520 S669 N670 L675 L677 T747 N751	W453-K673 HydrophobicContact CZ2-CD 4.08Å; W453-K673 VanDerWaalsContact CZ2-CE 3.45Å; D516-K673 IonicContact OD1-NZ 3.75Å; D516-K673 PolarHBondContact OD1-NZ 2.9Å; D516-K673 IonicContact OD2-NZ 2.78Å; D516-K673 PolarHBondContact OD2-NZ 3.38Å; S520-K673 WeakPolarHBondContact OG-CE 3.05Å; S520-K673 PolarHBondContact OG-NZ 3.31Å; S669-K673 PolarHBondContact O-N 2.69Å; S669-K673 VanDerWaalsContact OG-CE 3.25Å; S669-K673 WeakPolarHBondContact OG-CE 3.39Å; S669-K673 PolarHBondContact OG-NZ 3.45Å; N670-K673 WeakPolarHBondContact O-CB 3.3Å; N670-K673 PolarHBondContact O-N 3.42Å; K673-L675 PolarHBondContact O-N 2.97Å; K673-L677 HydrophobicContact CB-CB 4.21Å; K673-T747 WeakPolarHBondContact O-CG2 3.41Å; K673-N751 PolarHBondContact O-ND2 2.86Å
674	P	98.2	Very high	98.3	Very high	56 Å²	56	30 Å²	30	36%	0.364	15%	0.147	S	C	.	.			trans	-48.1	140.1	170.3	-28.8	34.9	0	0	0	112.4	D676 L677 Y678	P674-D676 PolarHBondContact O-N 2.84Å; P674-L677 WeakPolarHBondContact O-CB 3.43Å; P674-L677 PolarHBondContact O-N 2.9Å; P674-Y678 PolarHBondContact O-N 2.77Å
675	L	98.1	Very high	98.3	Very high	47 Å²	47	31.7 Å²	31.7	25%	0.246	16%	0.157	C	C	.	.	H	α-helix	trans	-50.2	-39.6	-169.2	-177.3	62.5	0	0	0	114	K673 L677 Y678 R679 N751 W754	K673-L675 PolarHBondContact O-N 2.97Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.13Å; L675-Y678 PolarHBondContact O-N 3.03Å; L675-R679 HydrophobicContact CD1-CG 4.01Å; L675-R679 HydrophobicContact CG-CG 4.29Å; L675-R679 WeakPolarHBondContact O-CB 3.33Å; L675-R679 VanDerWaalsContact O-CG 3.29Å; L675-R679 WeakPolarHBondContact O-CG 3.49Å; L675-R679 PolarHBondContact O-N 3.07Å; L675-N751 WeakPolarHBondContact CB-OD1 3.46Å; L675-N751 WeakPolarHBondContact CD1-OD1 3.3Å; L675-W754 HydrophobicContact CD1-CB 4.38Å; L675-W754 HydrophobicContact CD1-CD2 3.79Å; L675-W754 HydrophobicContact CD1-CE3 3.77Å; L675-W754 HydrophobicContact CD1-CG 4.05Å; L675-W754 HydrophobicContact CD1-CZ3 4.39Å; L675-W754 HydrophobicContact CD2-CB 4.45Å; L675-W754 HydrophobicContact CD2-CD2 3.82Å; L675-W754 HydrophobicContact CD2-CG 3.7Å; L675-W754 HydrophobicContact CG-CD2 4.4Å
676	D	97.8	Very high	98.3	Very high	119 Å²	119	31.9 Å²	31.9	64%	0.636	16%	0.158	S	C	*	.	H	α-helix	trans	-64.1	-35.4	179.6	-69.5	-32	0	0	0	113.2	P674 Q680	P674-D676 PolarHBondContact O-N 2.84Å; D676-Q680 WeakPolarHBondContact O-CG 3.49Å; D676-Q680 PolarHBondContact O-NE2 3.27Å
677	L	98.3	Very high	98.3	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-75.6	-44.1	173.9	-60.8	-179.3	0	0	0	110.3	I455 D456 F458 K673 P674 L675 R679 Q680 W681	I455-L677 WeakPolarHBondContact O-CD1 3.21Å; D456-L677 HydrophobicContact CB-CD2 4.25Å; F458-L677 HydrophobicContact CD2-CD2 3.78Å; F458-L677 HydrophobicContact CE2-CD2 4.07Å; K673-L677 HydrophobicContact CB-CB 4.21Å; P674-L677 WeakPolarHBondContact O-CB 3.43Å; P674-L677 PolarHBondContact O-N 2.9Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.13Å; L677-R679 VanDerWaalsContact C-N 3.34Å; L677-R679 PolarHBondContact O-N 2.96Å; L677-Q680 WeakPolarHBondContact O-CB 3.45Å; L677-Q680 PolarHBondContact O-N 3.27Å; L677-Q680 VanDerWaalsContact O-N 3.16Å; L677-W681 VanDerWaalsContact O-CD1 3.27Å; L677-W681 PolarHBondContact O-N 3Å
678	Y	98.6	Very high	98.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-45.9	179.5	179.4	-154.5	0	0	0	111.4	N670 P671 P674 L675 Q680 W681 T682 Q718 I722 N751 Y755	N670-Y678 HydrophobicContact CB-CD2 4.15Å; N670-Y678 WeakPolarHBondContact O-CB 3.21Å; N670-Y678 WeakPolarHBondContact O-CD2 3.39Å; P671-Y678 HydrophobicContact CB-CD1 4.48Å; P671-Y678 HydrophobicContact CB-CD2 4.38Å; P671-Y678 HydrophobicContact CB-CE1 3.85Å; P671-Y678 HydrophobicContact CB-CE2 3.8Å; P671-Y678 VanDerWaalsContact CB-CZ 3.5Å; P671-Y678 HydrophobicContact CG-CD2 4.39Å; P671-Y678 HydrophobicContact CG-CE2 3.64Å; P674-Y678 PolarHBondContact O-N 2.77Å; L675-Y678 PolarHBondContact O-N 3.03Å; Y678-Q680 VanDerWaalsContact C-N 3.3Å; Y678-Q680 PolarHBondContact O-N 3.35Å; Y678-W681 CarbonylContact O-C 3.55Å; Y678-W681 WeakPolarHBondContact O-CA 3.25Å; Y678-W681 WeakPolarHBondContact O-CB 3.39Å; Y678-W681 PolarHBondContact O-N 3.34Å; Y678-W681 VanDerWaalsContact O-N 3.07Å; Y678-T682 WeakPolarHBondContact CD2-OG1 3.47Å; Y678-T682 WeakPolarHBondContact CE2-OG1 3.4Å; Y678-T682 PolarHBondContact O-N 3.31Å; Y678-T682 PolarHBondContact O-OG1 2.94Å; Y678-T682 VanDerWaalsContact O-OG1 3.13Å; Y678-Q718 PolarHBondContact OH-OE1 2.94Å; Y678-I722 HydrophobicContact CE1-CD1 4.21Å; Y678-N751 HydrophobicContact CD1-CB 3.84Å; Y678-N751 HydrophobicContact CE1-CB 4.03Å; Y678-Y755 HydrophobicContact CD1-CD2 4.35Å; Y678-Y755 AromaticContact CD1-CE2 3.69Å; Y678-Y755 HydrophobicContact CD1-CE2 3.69Å; Y678-Y755 AromaticContact CE1-CD2 3.65Å; Y678-Y755 HydrophobicContact CE1-CD2 3.65Å; Y678-Y755 AromaticContact CE1-CE2 3.23Å; Y678-Y755 HydrophobicContact CE1-CE2 3.23Å; Y678-Y755 AromaticContact CZ-CE2 3.69Å
679	R	98.2	Very high	98.2	Very high	110 Å²	110	36.1 Å²	36.1	42%	0.415	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-38.6	176.8	-72.3	178.5	68.9	-157	4.3	112.9	L675 L677 T682 N683 W754	L675-R679 HydrophobicContact CD1-CG 4.01Å; L675-R679 HydrophobicContact CG-CG 4.29Å; L675-R679 WeakPolarHBondContact O-CB 3.33Å; L675-R679 VanDerWaalsContact O-CG 3.29Å; L675-R679 WeakPolarHBondContact O-CG 3.49Å; L675-R679 PolarHBondContact O-N 3.07Å; L677-R679 VanDerWaalsContact C-N 3.34Å; L677-R679 PolarHBondContact O-N 2.96Å; R679-T682 PolarHBondContact O-N 3.04Å; R679-N683 VanDerWaalsContact O-CG 3.26Å; R679-N683 PolarHBondContact O-N 3.11Å; R679-N683 PolarHBondContact O-ND2 3.36Å; R679-W754 HydrophobicContact CG-CH2 4.27Å; R679-W754 HydrophobicContact CG-CZ3 4.19Å
680	Q	98.3	Very high	98.2	Very high	71 Å²	71	37.2 Å²	37.2	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-65.2	-41.5	174.4	-73.5	-179.2	79.4	0	0	111.7	F458 D676 L677 Y678 N683 R684	F458-Q680 HydrophobicContact CD2-CB 4.17Å; F458-Q680 HydrophobicContact CE2-CB 3.48Å; F458-Q680 VanDerWaalsContact CE2-CB 3.48Å; F458-Q680 HydrophobicContact CE2-CG 4.28Å; F458-Q680 HydrophobicContact CZ-CB 3.7Å; D676-Q680 WeakPolarHBondContact O-CG 3.49Å; D676-Q680 PolarHBondContact O-NE2 3.27Å; L677-Q680 WeakPolarHBondContact O-CB 3.45Å; L677-Q680 PolarHBondContact O-N 3.27Å; L677-Q680 VanDerWaalsContact O-N 3.16Å; Y678-Q680 VanDerWaalsContact C-N 3.3Å; Y678-Q680 PolarHBondContact O-N 3.35Å; Q680-N683 PolarHBondContact O-N 3.45Å; Q680-R684 VanDerWaalsContact O-CG 3.3Å; Q680-R684 WeakPolarHBondContact O-CG 3.35Å; Q680-R684 PolarHBondContact O-N 2.79Å; Q680-R684 VanDerWaalsContact O-N 3.12Å
681	W	98.6	Very high	98.2	Very high	2 Å²	2	40 Å²	40	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-43.1	173.7	-74.2	126.5	0	0	0	112.8	I457 F458 Y508 V512 H513 D516 N670 L677 Y678 N683 R684 V685	I457-W681 HydrophobicContact CG2-CZ2 3.69Å; F458-W681 HydrophobicContact CE1-CD2 4.25Å; F458-W681 HydrophobicContact CE1-CE3 4.28Å; F458-W681 AromaticContact CE1-CH2 3.83Å; F458-W681 HydrophobicContact CE1-CH2 3.83Å; F458-W681 AromaticContact CE1-CZ2 3.82Å; F458-W681 HydrophobicContact CE1-CZ2 3.82Å; F458-W681 HydrophobicContact CE1-CZ3 4.08Å; F458-W681 HydrophobicContact CE2-CD2 4.44Å; F458-W681 HydrophobicContact CE2-CZ2 4.45Å; F458-W681 AromaticContact CE2-NE1 3.98Å; F458-W681 AromaticContact CZ-CD2 3.54Å; F458-W681 HydrophobicContact CZ-CD2 3.54Å; F458-W681 AromaticContact CZ-CE2 3.36Å; F458-W681 AromaticContact CZ-CE3 3.97Å; F458-W681 HydrophobicContact CZ-CE3 3.97Å; F458-W681 AromaticContact CZ-CG 3.99Å; F458-W681 HydrophobicContact CZ-CG 3.99Å; F458-W681 HydrophobicContact CZ-CH2 4.04Å; F458-W681 AromaticContact CZ-CZ2 3.65Å; F458-W681 HydrophobicContact CZ-CZ2 3.65Å; F458-W681 HydrophobicContact CZ-CZ3 4.2Å; F458-W681 AromaticContact CZ-NE1 3.74Å; Y508-W681 AromaticContact CD2-CE3 3.78Å; Y508-W681 HydrophobicContact CD2-CE3 3.78Å; Y508-W681 HydrophobicContact CD2-CZ3 4.26Å; Y508-W681 HydrophobicContact CE2-CD2 4.45Å; Y508-W681 AromaticContact CE2-CE3 3.75Å; Y508-W681 HydrophobicContact CE2-CE3 3.75Å; Y508-W681 HydrophobicContact CE2-CZ3 4.36Å; V512-W681 HydrophobicContact CB-CH2 4.26Å; V512-W681 HydrophobicContact CG1-CH2 3.92Å; V512-W681 HydrophobicContact CG1-CZ2 4.38Å; H513-W681 HydrophobicContact CB-CH2 3.95Å; H513-W681 HydrophobicContact CB-CZ3 3.99Å; D516-W681 HydrophobicContact CB-CZ2 3.87Å; N670-W681 HydrophobicContact CB-CB 3.81Å; N670-W681 HydrophobicContact CB-CG 3.99Å; L677-W681 VanDerWaalsContact O-CD1 3.27Å; L677-W681 PolarHBondContact O-N 3Å; Y678-W681 CarbonylContact O-C 3.55Å; Y678-W681 WeakPolarHBondContact O-CA 3.25Å; Y678-W681 WeakPolarHBondContact O-CB 3.39Å; Y678-W681 PolarHBondContact O-N 3.34Å; Y678-W681 VanDerWaalsContact O-N 3.07Å; W681-N683 VanDerWaalsContact C-N 3.35Å; W681-N683 PolarHBondContact O-N 2.78Å; W681-R684 WeakPolarHBondContact O-CB 3.32Å; W681-R684 PolarHBondContact O-N 3.07Å; W681-R684 VanDerWaalsContact O-N 3.17Å; W681-V685 PolarHBondContact O-N 2.72Å
682	T	98.3	Very high	98.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-47.2	175	-58.4	0	0	0	0	110.9	Y678 R679 R684 V685 M686 I714 Q718 Y755	Y678-T682 WeakPolarHBondContact CD2-OG1 3.47Å; Y678-T682 WeakPolarHBondContact CE2-OG1 3.4Å; Y678-T682 PolarHBondContact O-N 3.31Å; Y678-T682 PolarHBondContact O-OG1 2.94Å; Y678-T682 VanDerWaalsContact O-OG1 3.13Å; R679-T682 PolarHBondContact O-N 3.04Å; T682-R684 VanDerWaalsContact C-N 3.29Å; T682-R684 PolarHBondContact O-N 3.22Å; T682-V685 WeakPolarHBondContact O-CG1 3.43Å; T682-V685 PolarHBondContact O-N 3.23Å; T682-M686 HydrophobicContact CG2-CG 4.18Å; T682-M686 WeakPolarHBondContact O-CB 3.44Å; T682-M686 VanDerWaalsContact O-CG 3.23Å; T682-M686 WeakPolarHBondContact O-CG 3.02Å; T682-M686 PolarHBondContact O-N 2.88Å; T682-I714 HydrophobicContact CG2-CG2 3.67Å; T682-Q718 VanDerWaalsContact CG2-CD 3.5Å; T682-Q718 HydrophobicContact CG2-CG 3.71Å; T682-Q718 PolarHBondContact OG1-OE1 2.89Å; T682-Y755 VanDerWaalsContact CB-OH 3.26Å; T682-Y755 WeakPolarHBondContact CB-OH 3.34Å; T682-Y755 WeakPolarHBondContact CG2-OH 3.44Å; T682-Y755 PolarHBondContact OG1-OH 3.43Å
683	N	97.8	Very high	98.1	Very high	99 Å²	99	40 Å²	40	53%	0.529	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-40.2	177.7	-70.6	-21.9	0	0	0	112.2	R679 Q680 W681 E687	R679-N683 VanDerWaalsContact O-CG 3.26Å; R679-N683 PolarHBondContact O-N 3.11Å; R679-N683 PolarHBondContact O-ND2 3.36Å; Q680-N683 PolarHBondContact O-N 3.45Å; W681-N683 VanDerWaalsContact C-N 3.35Å; W681-N683 PolarHBondContact O-N 2.78Å; N683-E687 WeakPolarHBondContact O-CB 3.41Å; N683-E687 PolarHBondContact O-N 3.48Å
684	R	98.4	Very high	98.1	Very high	70 Å²	70	41.6 Å²	41.6	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-67.4	-47.5	178.9	-74.7	171.2	179	-85	6.6	112.4	P507 Y508 Q680 W681 T682 E687 E688	P507-R684 WeakPolarHBondContact CB-O 3.41Å; P507-R684 WeakPolarHBondContact O-CB 3.47Å; P507-R684 WeakPolarHBondContact O-CD 3.35Å; P507-R684 WeakPolarHBondContact O-CG 3.26Å; P507-R684 PolarHBondContact O-NH1 3.29Å; P507-R684 VanDerWaalsContact O-NH1 3.15Å; Y508-R684 HydrophobicContact CD2-CB 4.31Å; Q680-R684 VanDerWaalsContact O-CG 3.3Å; Q680-R684 WeakPolarHBondContact O-CG 3.35Å; Q680-R684 PolarHBondContact O-N 2.79Å; Q680-R684 VanDerWaalsContact O-N 3.12Å; W681-R684 WeakPolarHBondContact O-CB 3.32Å; W681-R684 PolarHBondContact O-N 3.07Å; W681-R684 VanDerWaalsContact O-N 3.17Å; T682-R684 VanDerWaalsContact C-N 3.29Å; T682-R684 PolarHBondContact O-N 3.22Å; R684-E687 PolarHBondContact O-N 3.26Å; R684-E688 PolarHBondContact O-N 3.09Å
685	V	98	Very high	98	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.218	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-40.3	179.7	70.7	0	0	0	0	110.9	Y508 W681 T682 E688 L689	Y508-V685 HydrophobicContact CD2-CB 3.64Å; Y508-V685 HydrophobicContact CD2-CG2 4.27Å; Y508-V685 HydrophobicContact CE2-CB 4.13Å; Y508-V685 HydrophobicContact CG-CB 3.97Å; Y508-V685 HydrophobicContact CG-CG2 4.25Å; W681-V685 PolarHBondContact O-N 2.72Å; T682-V685 WeakPolarHBondContact O-CG1 3.43Å; T682-V685 PolarHBondContact O-N 3.23Å; V685-E688 PolarHBondContact O-N 3.48Å; V685-L689 HydrophobicContact CG2-CD1 4.25Å; V685-L689 HydrophobicContact CG2-CG 4.47Å; V685-L689 WeakPolarHBondContact O-CB 3.44Å; V685-L689 VanDerWaalsContact O-CG 3.27Å; V685-L689 WeakPolarHBondContact O-CG 3.36Å; V685-L689 PolarHBondContact O-N 3.16Å
686	M	97.6	Very high	98	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176.3	-67.2	-50.8	-54.1	0	0	111.7	T682 E688 L689 F690 A712 I714	T682-M686 HydrophobicContact CG2-CG 4.18Å; T682-M686 WeakPolarHBondContact O-CB 3.44Å; T682-M686 VanDerWaalsContact O-CG 3.23Å; T682-M686 WeakPolarHBondContact O-CG 3.02Å; T682-M686 PolarHBondContact O-N 2.88Å; M686-E688 VanDerWaalsContact C-N 3.32Å; M686-E688 PolarHBondContact O-N 2.94Å; M686-L689 PolarHBondContact O-N 3.04Å; M686-L689 HydrophobicContact SD-CD1 4.2Å; M686-F690 HydrophobicContact CB-CE2 4.03Å; M686-F690 HydrophobicContact CB-CZ 4.14Å; M686-F690 HydrophobicContact CE-CD1 4.41Å; M686-F690 HydrophobicContact CE-CE1 3.45Å; M686-F690 VanDerWaalsContact CE-CE1 3.45Å; M686-F690 HydrophobicContact CE-CE2 4.44Å; M686-F690 HydrophobicContact CE-CZ 3.47Å; M686-F690 VanDerWaalsContact CE-CZ 3.47Å; M686-F690 WeakPolarHBondContact O-CB 3.28Å; M686-F690 WeakPolarHBondContact O-CD1 3.33Å; M686-F690 WeakPolarHBondContact O-CD2 3.22Å; M686-F690 WeakPolarHBondContact O-CG 3.48Å; M686-F690 PolarHBondContact O-N 3.02Å; M686-A712 HydrophobicContact CE-CB 4.28Å; M686-I714 HydrophobicContact CE-CG1 4.21Å; M686-I714 HydrophobicContact CG-CD1 4.41Å; M686-I714 HydrophobicContact CG-CG1 4.15Å; M686-I714 HydrophobicContact CG-CG2 4.06Å
687	E	98.2	Very high	97.9	Very high	74 Å²	74	39.3 Å²	39.3	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-39.4	175.8	177.5	56.4	-155.7	0	0	112.1	P507 N683 R684 F690 Q691	P507-E687 HydrophobicContact CB-CB 4.11Å; P507-E687 HydrophobicContact CB-CG 4Å; P507-E687 HydrophobicContact CG-CB 4.36Å; P507-E687 HydrophobicContact CG-CG 3.8Å; N683-E687 WeakPolarHBondContact O-CB 3.41Å; N683-E687 PolarHBondContact O-N 3.48Å; R684-E687 PolarHBondContact O-N 3.26Å; E687-F690 PolarHBondContact O-N 3.5Å; E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.45Å; E687-Q691 PolarHBondContact O-N 3.29Å; E687-Q691 PolarHBondContact OE1-NE2 3.44Å
688	E	98.4	Very high	97.8	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-42.3	176.1	-165.6	168	134	0	0	112.6	N506 P507 Y508 H509 H553 G555 R684 V685 M686 F690 Q691 Q692	N506-E688 VanDerWaalsContact CB-OE2 3.26Å; N506-E688 WeakPolarHBondContact CB-OE2 3.36Å; P507-E688 HydrophobicContact CB-CB 4.1Å; P507-E688 HydrophobicContact CG-CB 4.1Å; Y508-E688 WeakPolarHBondContact CA-OE2 3.5Å; Y508-E688 WeakPolarHBondContact CB-OE2 3.23Å; Y508-E688 PolarHBondContact N-OE2 3.33Å; H509-E688 IonicContact CE1-OE1 3.45Å; H509-E688 IonicContact CG-OE1 3.95Å; H509-E688 PolarHBondContact N-OE2 3.37Å; H509-E688 IonicContact ND1-OE1 2.89Å; H509-E688 PolarHBondContact ND1-OE1 2.95Å; H509-E688 IonicContact ND1-OE2 2.67Å; H553-E688 IonicContact CE1-OE1 3.36Å; H553-E688 IonicContact ND1-OE1 2.7Å; G555-E688 VanDerWaalsContact CA-OE1 3.26Å; G555-E688 WeakPolarHBondContact CA-OE1 3.24Å; R684-E688 PolarHBondContact O-N 3.09Å; V685-E688 PolarHBondContact O-N 3.48Å; M686-E688 VanDerWaalsContact C-N 3.32Å; M686-E688 PolarHBondContact O-N 2.94Å; E688-F690 VanDerWaalsContact C-N 3.32Å; E688-F690 PolarHBondContact O-N 2.66Å; E688-Q691 WeakPolarHBondContact O-CB 3.36Å; E688-Q691 PolarHBondContact O-N 3.46Å; E688-Q692 PolarHBondContact O-N 2.72Å
689	L	97.5	Very high	97.6	Very high	32 Å²	32	51.3 Å²	51.3	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-40.6	173.7	-69.7	171.2	0	0	0	111.5	V685 M686 Q691 Q692 G693 I706 C707	V685-L689 HydrophobicContact CG2-CD1 4.25Å; V685-L689 HydrophobicContact CG2-CG 4.47Å; V685-L689 WeakPolarHBondContact O-CB 3.44Å; V685-L689 VanDerWaalsContact O-CG 3.27Å; V685-L689 WeakPolarHBondContact O-CG 3.36Å; V685-L689 PolarHBondContact O-N 3.16Å; M686-L689 PolarHBondContact O-N 3.04Å; M686-L689 HydrophobicContact SD-CD1 4.2Å; L689-Q691 VanDerWaalsContact C-N 3.35Å; L689-Q692 WeakPolarHBondContact O-CB 3.39Å; L689-Q692 PolarHBondContact O-N 2.69Å; L689-G693 PolarHBondContact O-N 2.99Å; L689-I706 HydrophobicContact CD1-CD1 3.67Å; L689-I706 HydrophobicContact CD1-CG1 4.22Å; L689-C707 VanDerWaalsContact O-CB 3.31Å; L689-C707 WeakPolarHBondContact O-CB 3.27Å
690	F	97.9	Very high	97.4	Very high	23 Å²	23	49.4 Å²	49.4	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-37.9	175.6	-62.7	-21.9	0	0	0	112.4	M686 E687 E688 Q692 G693 D694 C707 R709 A712	M686-F690 HydrophobicContact CB-CE2 4.03Å; M686-F690 HydrophobicContact CB-CZ 4.14Å; M686-F690 HydrophobicContact CE-CD1 4.41Å; M686-F690 HydrophobicContact CE-CE1 3.45Å; M686-F690 VanDerWaalsContact CE-CE1 3.45Å; M686-F690 HydrophobicContact CE-CE2 4.44Å; M686-F690 HydrophobicContact CE-CZ 3.47Å; M686-F690 VanDerWaalsContact CE-CZ 3.47Å; M686-F690 WeakPolarHBondContact O-CB 3.28Å; M686-F690 WeakPolarHBondContact O-CD1 3.33Å; M686-F690 WeakPolarHBondContact O-CD2 3.22Å; M686-F690 WeakPolarHBondContact O-CG 3.48Å; M686-F690 PolarHBondContact O-N 3.02Å; E687-F690 PolarHBondContact O-N 3.5Å; E688-F690 VanDerWaalsContact C-N 3.32Å; E688-F690 PolarHBondContact O-N 2.66Å; F690-Q692 VanDerWaalsContact C-N 3.33Å; F690-G693 PolarHBondContact O-N 3.48Å; F690-D694 PolarHBondContact O-N 2.96Å; F690-C707 WeakPolarHBondContact CA-O 3.48Å; F690-R709 HydrophobicContact CB-CB 4.2Å; F690-R709 HydrophobicContact CD1-CB 3.92Å; F690-R709 HydrophobicContact CD2-CB 3.9Å; F690-R709 HydrophobicContact CE1-CB 4.24Å; F690-R709 HydrophobicContact CE2-CB 4.22Å; F690-R709 HydrophobicContact CG-CB 3.74Å; F690-R709 HydrophobicContact CZ-CB 4.38Å; F690-A712 HydrophobicContact CE1-CB 3.73Å; F690-A712 HydrophobicContact CZ-CB 4.14Å
691	Q	98	Very high	97.2	Very high	69 Å²	69	48.8 Å²	48.8	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-36	172.6	-72.7	174.9	18.5	0	0	112.2	E687 E688 L689 K695	E687-Q691 VanDerWaalsContact O-CG 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.45Å; E687-Q691 PolarHBondContact O-N 3.29Å; E687-Q691 PolarHBondContact OE1-NE2 3.44Å; E688-Q691 WeakPolarHBondContact O-CB 3.36Å; E688-Q691 PolarHBondContact O-N 3.46Å; L689-Q691 VanDerWaalsContact C-N 3.35Å; Q691-K695 WeakPolarHBondContact O-CG 3.46Å; Q691-K695 PolarHBondContact O-N 2.91Å
692	Q	98.1	Very high	97	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-47.8	170.1	-176	-177.5	-63.6	0	0	111	V556 T557 Y560 E688 L689 F690 D694 K695 E696	V556-Q692 VanDerWaalsContact CA-OE1 3.32Å; V556-Q692 HydrophobicContact CB-CG 4.34Å; V556-Q692 HydrophobicContact CG1-CB 4.25Å; V556-Q692 HydrophobicContact CG1-CG 4Å; T557-Q692 PolarHBondContact OG1-NE2 3.47Å; T557-Q692 PolarHBondContact OG1-OE1 3.03Å; Y560-Q692 HydrophobicContact CD2-CG 3.75Å; Y560-Q692 HydrophobicContact CE2-CG 4.34Å; Y560-Q692 HydrophobicContact CG-CG 4.18Å; E688-Q692 PolarHBondContact O-N 2.72Å; L689-Q692 WeakPolarHBondContact O-CB 3.39Å; L689-Q692 PolarHBondContact O-N 2.69Å; F690-Q692 VanDerWaalsContact C-N 3.33Å; Q692-D694 VanDerWaalsContact C-N 3.26Å; Q692-D694 PolarHBondContact O-N 2.93Å; Q692-K695 WeakPolarHBondContact O-CB 3.36Å; Q692-K695 PolarHBondContact O-N 3.44Å; Q692-E696 HydrophobicContact CG-CG 4.41Å; Q692-E696 PolarHBondContact NE2-OE1 3.12Å; Q692-E696 WeakPolarHBondContact O-CG 3.5Å; Q692-E696 PolarHBondContact O-N 3.34Å
693	G	97.6	Very high	96.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-32.7	179.5	0	0	0	0	0	113.5	L689 F690 E696 R697 C707	L689-G693 PolarHBondContact O-N 2.99Å; F690-G693 PolarHBondContact O-N 3.48Å; G693-E696 PolarHBondContact O-N 3.25Å; G693-R697 WeakPolarHBondContact O-CB 3.45Å; G693-R697 PolarHBondContact O-N 3.16Å; G693-C707 WeakPolarHBondContact CA-O 3.45Å
694	D	97.4	Very high	96.7	Very high	35 Å²	35	56 Å²	56	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-43.5	172	-66	-21.8	0	0	0	111.7	F690 Q692 E696 R697 E698 R709	F690-D694 PolarHBondContact O-N 2.96Å; Q692-D694 VanDerWaalsContact C-N 3.26Å; Q692-D694 PolarHBondContact O-N 2.93Å; D694-E696 VanDerWaalsContact C-N 3.35Å; D694-E696 PolarHBondContact O-N 3.45Å; D694-R697 WeakPolarHBondContact O-CB 3.5Å; D694-R697 PolarHBondContact O-N 3.42Å; D694-R697 IonicContact OD1-CZ 3.94Å; D694-R697 IonicContact OD1-NH1 3.6Å; D694-R697 PolarHBondContact OD1-NH1 3.31Å; D694-R697 IonicContact OD1-NH2 3.64Å; D694-E698 WeakPolarHBondContact O-CG 3.19Å; D694-E698 PolarHBondContact O-N 3Å; D694-R709 IonicContact OD1-NE 2.6Å; D694-R709 PolarHBondContact OD1-NE 3.49Å; D694-R709 IonicContact OD1-NH2 2.72Å; D694-R709 IonicContact OD2-CZ 2.72Å; D694-R709 IonicContact OD2-NE 2.86Å; D694-R709 PolarHBondContact OD2-NE 2.6Å; D694-R709 IonicContact OD2-NH2 2.73Å; D694-R709 PolarHBondContact OD2-NH2 3.05Å
695	K	97.1	Very high	96.3	Very high	70 Å²	70	58 Å²	58	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-41	174	-66.4	168.3	-175.2	171	0	111.9	V556 Y560 Q691 Q692 R697 E698 L699	V556-K695 HydrophobicContact CG1-CD 3.98Å; Y560-K695 HydrophobicContact CE2-CB 4.11Å; Q691-K695 WeakPolarHBondContact O-CG 3.46Å; Q691-K695 PolarHBondContact O-N 2.91Å; Q692-K695 WeakPolarHBondContact O-CB 3.36Å; Q692-K695 PolarHBondContact O-N 3.44Å; K695-R697 VanDerWaalsContact C-N 3.35Å; K695-E698 PolarHBondContact O-N 3.44Å; K695-L699 WeakPolarHBondContact O-CG 3.39Å; K695-L699 PolarHBondContact O-N 3.07Å
696	E	97.7	Very high	96	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-44.3	176.3	-71.1	169	164	0	0	111	Y560 Q692 G693 D694 E698 L699 G700 I701 I703 S704	Y560-E696 HydrophobicContact CD2-CG 3.69Å; Y560-E696 HydrophobicContact CE2-CG 3.75Å; Q692-E696 HydrophobicContact CG-CG 4.41Å; Q692-E696 PolarHBondContact NE2-OE1 3.12Å; Q692-E696 WeakPolarHBondContact O-CG 3.5Å; Q692-E696 PolarHBondContact O-N 3.34Å; G693-E696 PolarHBondContact O-N 3.25Å; D694-E696 VanDerWaalsContact C-N 3.35Å; D694-E696 PolarHBondContact O-N 3.45Å; E696-E698 PolarHBondContact O-N 2.79Å; E696-L699 PolarHBondContact O-N 2.99Å; E696-G700 PolarHBondContact O-N 3.41Å; E696-G700 VanDerWaalsContact O-N 3.09Å; E696-I701 HydrophobicContact CB-CD1 4.15Å; E696-I701 HydrophobicContact CB-CG1 3.78Å; E696-I701 HydrophobicContact CG-CD1 3.84Å; E696-I701 HydrophobicContact CG-CG1 4.04Å; E696-I701 WeakPolarHBondContact O-CG1 3.43Å; E696-I701 PolarHBondContact O-N 3.13Å; E696-I701 VanDerWaalsContact O-N 3.13Å; E696-I703 HydrophobicContact CB-CG1 4.41Å; E696-I703 WeakPolarHBondContact OE2-CA 3.45Å; E696-S704 WeakPolarHBondContact OE1-CB 3.32Å; E696-S704 PolarHBondContact OE1-OG 3.32Å; E696-S704 WeakPolarHBondContact OE2-CB 3.39Å; E696-S704 PolarHBondContact OE2-N 3.02Å
697	R	95.7	Very high	95.9	Very high	101 Å²	101	60.1 Å²	60.1	38%	0.381	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-41.7	175.7	-165	-177.6	-55.2	107.3	0	112.3	G693 D694 K695 L699 G700 I703 D708	G693-R697 WeakPolarHBondContact O-CB 3.45Å; G693-R697 PolarHBondContact O-N 3.16Å; D694-R697 WeakPolarHBondContact O-CB 3.5Å; D694-R697 PolarHBondContact O-N 3.42Å; D694-R697 IonicContact OD1-CZ 3.94Å; D694-R697 IonicContact OD1-NH1 3.6Å; D694-R697 PolarHBondContact OD1-NH1 3.31Å; D694-R697 IonicContact OD1-NH2 3.64Å; K695-R697 VanDerWaalsContact C-N 3.35Å; R697-L699 VanDerWaalsContact C-N 3.34Å; R697-G700 PolarHBondContact O-N 2.9Å; R697-I703 HydrophobicContact CB-CD1 4.02Å; R697-I703 HydrophobicContact CB-CG1 4.36Å; R697-I703 HydrophobicContact CG-CD1 4.21Å; R697-D708 IonicContact NH2-OD1 2.89Å; R697-D708 PolarHBondContact NH2-OD1 3Å
698	E	96.2	Very high	95.7	Very high	165 Å²	165	57.9 Å²	57.9	77%	0.771	31%	0.306	S	S	*	.	H	α-helix	trans	-64.9	-35.6	176.8	-75	176.4	-175.3	0	0	112.9	D694 K695 E696 G700	D694-E698 WeakPolarHBondContact O-CG 3.19Å; D694-E698 PolarHBondContact O-N 3Å; K695-E698 PolarHBondContact O-N 3.44Å; E696-E698 PolarHBondContact O-N 2.79Å; E698-G700 VanDerWaalsContact C-N 3.29Å
699	L	95.1	Very high	95.5	Very high	101 Å²	101	62.3 Å²	62.3	53%	0.529	32%	0.322	S	S	.	.	H	α-helix	trans	-80.1	-9.2	177	-68.6	173.8	0	0	0	113.5	Y560 T564 K695 E696 R697 I701	Y560-L699 HydrophobicContact CE2-CD1 4.41Å; Y560-L699 WeakPolarHBondContact OH-CD1 2.84Å; T564-L699 HydrophobicContact CG2-CD1 3.74Å; K695-L699 WeakPolarHBondContact O-CG 3.39Å; K695-L699 PolarHBondContact O-N 3.07Å; E696-L699 PolarHBondContact O-N 2.99Å; R697-L699 VanDerWaalsContact C-N 3.34Å; L699-I701 VanDerWaalsContact C-N 3.27Å; L699-I701 HydrophobicContact CB-CD1 4.49Å; L699-I701 HydrophobicContact CB-CG1 4.2Å; L699-I701 HydrophobicContact CB-CG2 4.5Å; L699-I701 HydrophobicContact CD1-CD1 4.41Å; L699-I701 PolarHBondContact O-N 2.87Å
700	G	94	Very high	95.2	Very high	69 Å²	69	66.8 Å²	66.8	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	24.6	-177.3	0	0	0	0	0	113.6	E696 R697 E698	E696-G700 PolarHBondContact O-N 3.41Å; E696-G700 VanDerWaalsContact O-N 3.09Å; R697-G700 PolarHBondContact O-N 2.9Å; E698-G700 VanDerWaalsContact C-N 3.29Å
701	I	93.3	Very high	94.8	Very high	58 Å²	58	70.7 Å²	70.7	30%	0.297	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-93.9	158.8	172.2	59.6	177.4	0	0	0	110	Y560 T564 E696 L699 I703	Y560-I701 HydrophobicContact CE2-CD1 4.48Å; T564-I701 HydrophobicContact CG2-CD1 4.02Å; E696-I701 HydrophobicContact CB-CD1 4.15Å; E696-I701 HydrophobicContact CB-CG1 3.78Å; E696-I701 HydrophobicContact CG-CD1 3.84Å; E696-I701 HydrophobicContact CG-CG1 4.04Å; E696-I701 WeakPolarHBondContact O-CG1 3.43Å; E696-I701 PolarHBondContact O-N 3.13Å; E696-I701 VanDerWaalsContact O-N 3.13Å; L699-I701 VanDerWaalsContact C-N 3.27Å; L699-I701 HydrophobicContact CB-CD1 4.49Å; L699-I701 HydrophobicContact CB-CG1 4.2Å; L699-I701 HydrophobicContact CB-CG2 4.5Å; L699-I701 HydrophobicContact CD1-CD1 4.41Å; L699-I701 PolarHBondContact O-N 2.87Å; I701-I703 PolarHBondContact O-N 3.29Å
702	E	94.2	Very high	94.4	Very high	181 Å²	181	68.6 Å²	68.6	85%	0.846	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-57.8	127.7	175.7	-174.4	174.7	-174.3	0	0	109.7	S704	E702-S704 PolarHBondContact O-N 3.45Å
703	I	95.4	Very high	94.2	Very high	47 Å²	47	71.5 Å²	71.5	24%	0.241	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70.3	127.5	179.8	-56.9	172.9	0	0	0	107.8	E696 R697 I701 C707 D708	E696-I703 HydrophobicContact CB-CG1 4.41Å; E696-I703 WeakPolarHBondContact OE2-CA 3.45Å; R697-I703 HydrophobicContact CB-CD1 4.02Å; R697-I703 HydrophobicContact CB-CG1 4.36Å; R697-I703 HydrophobicContact CG-CD1 4.21Å; I701-I703 PolarHBondContact O-N 3.29Å; I703-C707 HydrophobicContact CG2-CB 4.07Å; I703-D708 HydrophobicContact CD1-CB 4.38Å; I703-D708 HydrophobicContact CG2-CB 3.87Å
704	S	94.6	Very high	94	Very high	26 Å²	26	73.8 Å²	73.8	18%	0.182	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-56.6	147.6	178.7	-72.1	0	0	0	0	110.6	E696 E702 I706 C707	E696-S704 WeakPolarHBondContact OE1-CB 3.32Å; E696-S704 PolarHBondContact OE1-OG 3.32Å; E696-S704 WeakPolarHBondContact OE2-CB 3.39Å; E696-S704 PolarHBondContact OE2-N 3.02Å; E702-S704 PolarHBondContact O-N 3.45Å; S704-I706 PolarHBondContact O-N 2.76Å; S704-C707 WeakPolarHBondContact O-CB 3.45Å; S704-C707 PolarHBondContact O-N 3.32Å; S704-C707 VanDerWaalsContact O-N 3.15Å
705	P	91.1	Very high	93.9	Very high	113 Å²	113	74.5 Å²	74.5	73%	0.734	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	146.1	172.9	-26.4	34.4	0	0	0	111	C707	P705-C707 PolarHBondContact O-N 3.04Å; P705-C707 PolarHBondContact O-SG 2.83Å; P705-C707 VanDerWaalsContact O-SG 3.38Å
706	I	91.6	Very high	93.7	Very high	80 Å²	80	76 Å²	76	41%	0.41	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-5.1	-178.1	69	166.2	0	0	0	116.9	L689 S704 S717	L689-I706 HydrophobicContact CD1-CD1 3.67Å; L689-I706 HydrophobicContact CD1-CG1 4.22Å; S704-I706 PolarHBondContact O-N 2.76Å; I706-S717 WeakPolarHBondContact CG2-OG 3.49Å
707	C	94.3	Very high	93.6	Very high	4 Å²	4	76.9 Å²	76.9	3%	0.027	41%	0.412	C	S	.	.			trans	-87.5	-11.6	-178.6	-61.4	0	0	0	0	113.3	L689 F690 G693 I703 S704 P705 R709	L689-C707 VanDerWaalsContact O-CB 3.31Å; L689-C707 WeakPolarHBondContact O-CB 3.27Å; F690-C707 WeakPolarHBondContact CA-O 3.48Å; G693-C707 WeakPolarHBondContact CA-O 3.45Å; I703-C707 HydrophobicContact CG2-CB 4.07Å; S704-C707 WeakPolarHBondContact O-CB 3.45Å; S704-C707 PolarHBondContact O-N 3.32Å; S704-C707 VanDerWaalsContact O-N 3.15Å; P705-C707 PolarHBondContact O-N 3.04Å; P705-C707 PolarHBondContact O-SG 2.83Å; P705-C707 VanDerWaalsContact O-SG 3.38Å; C707-R709 PolarHBondContact O-N 3.15Å
708	D	94.7	Very high	93.6	Very high	26 Å²	26	72.8 Å²	72.8	14%	0.139	40%	0.397	C	S	.	.			trans	-88.1	108.9	175.6	-177.2	23.1	0	0	0	111.6	R697 I703 N710 T711 A712	R697-D708 IonicContact NH2-OD1 2.89Å; R697-D708 PolarHBondContact NH2-OD1 3Å; I703-D708 HydrophobicContact CD1-CB 4.38Å; I703-D708 HydrophobicContact CG2-CB 3.87Å; D708-N710 PolarHBondContact O-N 3.39Å; D708-N710 PolarHBondContact OD1-N 2.91Å; D708-N710 PolarHBondContact OD1-ND2 3.01Å; D708-T711 WeakPolarHBondContact CB-OG1 3.23Å; D708-T711 PolarHBondContact O-N 2.96Å; D708-T711 VanDerWaalsContact O-N 3.07Å; D708-T711 WeakPolarHBondContact OD2-CG2 3.32Å; D708-T711 PolarHBondContact OD2-OG1 2.8Å; D708-A712 VanDerWaalsContact O-CB 3.32Å; D708-A712 WeakPolarHBondContact O-CB 3.39Å; D708-A712 PolarHBondContact O-N 3.24Å
709	R	93.7	Very high	93.7	Very high	103 Å²	103	65.4 Å²	65.4	39%	0.389	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.5	177.1	62.7	176.1	69.9	-126.4	-1.6	114.9	F690 D694 C707	F690-R709 HydrophobicContact CB-CB 4.2Å; F690-R709 HydrophobicContact CD1-CB 3.92Å; F690-R709 HydrophobicContact CD2-CB 3.9Å; F690-R709 HydrophobicContact CE1-CB 4.24Å; F690-R709 HydrophobicContact CE2-CB 4.22Å; F690-R709 HydrophobicContact CG-CB 3.74Å; F690-R709 HydrophobicContact CZ-CB 4.38Å; D694-R709 IonicContact OD1-NE 2.6Å; D694-R709 PolarHBondContact OD1-NE 3.49Å; D694-R709 IonicContact OD1-NH2 2.72Å; D694-R709 IonicContact OD2-CZ 2.72Å; D694-R709 IonicContact OD2-NE 2.86Å; D694-R709 PolarHBondContact OD2-NE 2.6Å; D694-R709 IonicContact OD2-NH2 2.73Å; D694-R709 PolarHBondContact OD2-NH2 3.05Å; C707-R709 PolarHBondContact O-N 3.15Å
710	N	91.3	Very high	93.7	Very high	125 Å²	125	63.2 Å²	63.2	67%	0.668	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-18.7	-178.1	-52.4	-63.6	0	0	0	113.9	D708	D708-N710 PolarHBondContact O-N 3.39Å; D708-N710 PolarHBondContact OD1-N 2.91Å; D708-N710 PolarHBondContact OD1-ND2 3.01Å
711	T	90.9	Very high	93.8	Very high	105 Å²	105	63.5 Å²	63.5	64%	0.644	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-17.5	-173.9	56.1	0	0	0	0	113.1	D708	D708-T711 WeakPolarHBondContact CB-OG1 3.23Å; D708-T711 PolarHBondContact O-N 2.96Å; D708-T711 VanDerWaalsContact O-N 3.07Å; D708-T711 WeakPolarHBondContact OD2-CG2 3.32Å; D708-T711 PolarHBondContact OD2-OG1 2.8Å
712	A	89	Confident	94	Very high	25 Å²	25	60.7 Å²	60.7	21%	0.207	32%	0.324	C	S	.	.			trans	-64.4	136.4	178.3	0	0	0	0	0	112.1	M686 F690 D708	M686-A712 HydrophobicContact CE-CB 4.28Å; F690-A712 HydrophobicContact CE1-CB 3.73Å; F690-A712 HydrophobicContact CZ-CB 4.14Å; D708-A712 VanDerWaalsContact O-CB 3.32Å; D708-A712 WeakPolarHBondContact O-CB 3.39Å; D708-A712 PolarHBondContact O-N 3.24Å
713	T	92.5	Very high	94.2	Very high	66 Å²	66	54.9 Å²	54.9	41%	0.405	30%	0.298	S	S	.	.			trans	-110.5	95.9	173.1	42	0	0	0	0	108.6	E715 K716 S717	T713-E715 VanDerWaalsContact C-N 3.3Å; T713-E715 PolarHBondContact O-N 3.37Å; T713-K716 HydrophobicContact CG2-CD 4.4Å; T713-K716 PolarHBondContact O-N 3.13Å; T713-S717 WeakPolarHBondContact O-CB 3.48Å; T713-S717 PolarHBondContact O-N 3.2Å; T713-S717 PolarHBondContact O-OG 2.93Å
714	I	94.1	Very high	94.1	Very high	48 Å²	48	60.7 Å²	60.7	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-52.8	-49.9	-169.9	-62.5	176.2	0	0	0	110.7	T682 M686 S717 Q718	T682-I714 HydrophobicContact CG2-CG2 3.67Å; M686-I714 HydrophobicContact CE-CG1 4.21Å; M686-I714 HydrophobicContact CG-CD1 4.41Å; M686-I714 HydrophobicContact CG-CG1 4.15Å; M686-I714 HydrophobicContact CG-CG2 4.06Å; I714-S717 WeakPolarHBondContact O-CB 3.38Å; I714-S717 PolarHBondContact O-N 2.91Å; I714-Q718 HydrophobicContact CG2-CG 4.42Å; I714-Q718 WeakPolarHBondContact O-CG 3.36Å; I714-Q718 PolarHBondContact O-N 3.46Å
715	E	94.9	Very high	94.2	Very high	50 Å²	50	61.6 Å²	61.6	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-43.6	-174.3	-55.5	75.9	-168.8	0	0	111.6	T713 S717 Q718 V719 Y755 Q758 I759	T713-E715 VanDerWaalsContact C-N 3.3Å; T713-E715 PolarHBondContact O-N 3.37Å; E715-S717 VanDerWaalsContact C-N 3.32Å; E715-S717 PolarHBondContact O-N 3.27Å; E715-Q718 PolarHBondContact O-N 3.25Å; E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 3.22Å; E715-Y755 HydrophobicContact CB-CD1 4.07Å; E715-Y755 HydrophobicContact CG-CD1 4.04Å; E715-Q758 HydrophobicContact CG-CB 3.83Å; E715-I759 HydrophobicContact CB-CD1 4.24Å; E715-I759 HydrophobicContact CB-CG1 3.47Å; E715-I759 VanDerWaalsContact CB-CG1 3.47Å
716	K	93.8	Very high	94.6	Very high	102 Å²	102	56.2 Å²	56.2	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-40.1	175.2	-72.4	-178.5	-179.8	175.3	0	111.6	T713 S720 I759	T713-K716 HydrophobicContact CG2-CD 4.4Å; T713-K716 PolarHBondContact O-N 3.13Å; K716-S720 WeakPolarHBondContact O-CB 3.36Å; K716-S720 PolarHBondContact O-N 3.01Å; K716-S720 PolarHBondContact O-OG 3.21Å; K716-I759 HydrophobicContact CB-CD1 4.37Å; K716-I759 HydrophobicContact CG-CD1 3.75Å; K716-I759 HydrophobicContact CG-CG1 4.05Å; K716-I759 HydrophobicContact CG-CG2 4.23Å
717	S	94.4	Very high	94.8	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-43.1	175.4	-65.2	0	0	0	0	111.5	I706 T713 I714 E715 S720 F721	I706-S717 WeakPolarHBondContact CG2-OG 3.49Å; T713-S717 WeakPolarHBondContact O-CB 3.48Å; T713-S717 PolarHBondContact O-N 3.2Å; T713-S717 PolarHBondContact O-OG 2.93Å; I714-S717 WeakPolarHBondContact O-CB 3.38Å; I714-S717 PolarHBondContact O-N 2.91Å; E715-S717 VanDerWaalsContact C-N 3.32Å; E715-S717 PolarHBondContact O-N 3.27Å; S717-S720 PolarHBondContact O-N 3.15Å; S717-F721 VanDerWaalsContact O-CB 3.24Å; S717-F721 WeakPolarHBondContact O-CB 3.41Å; S717-F721 PolarHBondContact O-N 3.26Å
718	Q	97.3	Very high	95	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.065	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-45.1	177	-64.9	-43.3	-84.3	0	0	112.2	Y678 T682 I714 E715 S720 F721 I722 Y755	Y678-Q718 PolarHBondContact OH-OE1 2.94Å; T682-Q718 VanDerWaalsContact CG2-CD 3.5Å; T682-Q718 HydrophobicContact CG2-CG 3.71Å; T682-Q718 PolarHBondContact OG1-OE1 2.89Å; I714-Q718 HydrophobicContact CG2-CG 4.42Å; I714-Q718 WeakPolarHBondContact O-CG 3.36Å; I714-Q718 PolarHBondContact O-N 3.46Å; E715-Q718 PolarHBondContact O-N 3.25Å; Q718-S720 VanDerWaalsContact C-N 3.35Å; Q718-S720 PolarHBondContact O-N 3.26Å; Q718-F721 PolarHBondContact O-N 3.32Å; Q718-I722 VanDerWaalsContact O-CG1 3.31Å; Q718-I722 WeakPolarHBondContact O-CG1 3.42Å; Q718-I722 PolarHBondContact O-N 3.46Å; Q718-Y755 HydrophobicContact CB-CD1 4Å; Q718-Y755 HydrophobicContact CB-CD2 4.11Å; Q718-Y755 HydrophobicContact CB-CE1 4.23Å; Q718-Y755 HydrophobicContact CB-CE2 4.35Å; Q718-Y755 HydrophobicContact CB-CG 3.92Å; Q718-Y755 HydrophobicContact CG-CD1 4.06Å; Q718-Y755 HydrophobicContact CG-CD2 4.45Å; Q718-Y755 HydrophobicContact CG-CE1 3.78Å; Q718-Y755 HydrophobicContact CG-CE2 4.21Å; Q718-Y755 HydrophobicContact CG-CG 4.38Å
719	V	97	Very high	95.1	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-46	176.7	173.6	0	0	0	0	110.9	E715 F721 I722 D723 I759	E715-V719 WeakPolarHBondContact O-CG2 3.26Å; E715-V719 PolarHBondContact O-N 3.22Å; V719-F721 PolarHBondContact O-N 3.14Å; V719-I722 PolarHBondContact O-N 2.78Å; V719-D723 WeakPolarHBondContact O-CB 3.2Å; V719-D723 VanDerWaalsContact O-CG 3.32Å; V719-D723 PolarHBondContact O-N 3.47Å; V719-I759 HydrophobicContact CB-CD1 4.47Å; V719-I759 HydrophobicContact CG2-CD1 3.89Å
720	S	95.1	Very high	95.3	Very high	55 Å²	55	49.5 Å²	49.5	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-41.5	178.9	-55	0	0	0	0	111.7	K716 S717 Q718 I722 D723 Y724	K716-S720 WeakPolarHBondContact O-CB 3.36Å; K716-S720 PolarHBondContact O-N 3.01Å; K716-S720 PolarHBondContact O-OG 3.21Å; S717-S720 PolarHBondContact O-N 3.15Å; Q718-S720 VanDerWaalsContact C-N 3.35Å; Q718-S720 PolarHBondContact O-N 3.26Å; S720-I722 VanDerWaalsContact C-N 3.33Å; S720-I722 PolarHBondContact O-N 2.98Å; S720-D723 PolarHBondContact O-N 3.48Å; S720-Y724 WeakPolarHBondContact O-CB 3.49Å; S720-Y724 WeakPolarHBondContact O-CD2 3.35Å; S720-Y724 PolarHBondContact O-N 3.29Å
721	F	97	Very high	95.6	Very high	74 Å²	74	47.6 Å²	47.6	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-41.5	177	-179.4	-123.8	0	0	0	111.8	L668 P671 S717 Q718 V719 I725 V726	L668-F721 HydrophobicContact CD2-CZ 4.04Å; P671-F721 HydrophobicContact CG-CD1 4.24Å; P671-F721 HydrophobicContact CG-CE1 4.03Å; S717-F721 VanDerWaalsContact O-CB 3.24Å; S717-F721 WeakPolarHBondContact O-CB 3.41Å; S717-F721 PolarHBondContact O-N 3.26Å; Q718-F721 PolarHBondContact O-N 3.32Å; V719-F721 PolarHBondContact O-N 3.14Å; F721-I725 HydrophobicContact CD2-CB 3.98Å; F721-I725 HydrophobicContact CD2-CG1 4.1Å; F721-I725 HydrophobicContact CD2-CG2 4.36Å; F721-I725 HydrophobicContact CE2-CB 4Å; F721-I725 HydrophobicContact CE2-CG1 4.36Å; F721-I725 HydrophobicContact CE2-CG2 3.87Å; F721-I725 WeakPolarHBondContact O-CB 3.34Å; F721-I725 PolarHBondContact O-N 3.47Å; F721-I725 VanDerWaalsContact O-N 3.07Å; F721-V726 HydrophobicContact CD1-CG2 3.65Å; F721-V726 HydrophobicContact CD2-CG2 4.29Å; F721-V726 HydrophobicContact CE1-CG2 3.34Å; F721-V726 HydrophobicContact CE2-CG2 4.02Å; F721-V726 HydrophobicContact CG-CG2 4.13Å; F721-V726 HydrophobicContact CZ-CG2 3.55Å; F721-V726 PolarHBondContact O-N 2.91Å; F721-V726 VanDerWaalsContact O-N 3.11Å
722	I	98	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-65	-54	175.4	-64.2	167.5	0	0	0	110.8	P671 Y678 Q718 V719 S720 Y724 V726 H727 L748 R752	P671-I722 HydrophobicContact CB-CD1 4.08Å; P671-I722 HydrophobicContact CB-CG1 3.87Å; P671-I722 HydrophobicContact CG-CG1 4.48Å; Y678-I722 HydrophobicContact CE1-CD1 4.21Å; Q718-I722 VanDerWaalsContact O-CG1 3.31Å; Q718-I722 WeakPolarHBondContact O-CG1 3.42Å; Q718-I722 PolarHBondContact O-N 3.46Å; V719-I722 PolarHBondContact O-N 2.78Å; S720-I722 VanDerWaalsContact C-N 3.33Å; S720-I722 PolarHBondContact O-N 2.98Å; I722-Y724 VanDerWaalsContact C-N 3.31Å; I722-Y724 PolarHBondContact O-N 3.05Å; I722-V726 PolarHBondContact O-N 3.29Å; I722-H727 HydrophobicContact CG2-CB 4Å; I722-H727 WeakPolarHBondContact O-CB 3.41Å; I722-H727 PolarHBondContact O-N 3.47Å; I722-L748 HydrophobicContact CD1-CD1 4.28Å; I722-L748 HydrophobicContact CG1-CD1 4.09Å; I722-L748 HydrophobicContact CG2-CD1 3.78Å; I722-L748 HydrophobicContact CG2-CD2 4.5Å; I722-L748 HydrophobicContact CG2-CG 4.06Å; I722-R752 HydrophobicContact CB-CB 4.44Å; I722-R752 HydrophobicContact CB-CG 4.11Å; I722-R752 HydrophobicContact CD1-CB 3.78Å; I722-R752 HydrophobicContact CD1-CG 4.17Å; I722-R752 HydrophobicContact CG2-CB 3.91Å; I722-R752 HydrophobicContact CG2-CG 3.78Å
723	D	97.1	Very high	96.1	Very high	58 Å²	58	41.9 Å²	41.9	31%	0.31	21%	0.207	S	C	.	.	I	π-helix	trans	-62.2	-36.5	-172.7	-71.5	-6.4	0	0	0	112.7	V719 S720 R752	V719-D723 WeakPolarHBondContact O-CB 3.2Å; V719-D723 VanDerWaalsContact O-CG 3.32Å; V719-D723 PolarHBondContact O-N 3.47Å; S720-D723 PolarHBondContact O-N 3.48Å; D723-R752 IonicContact OD1-CZ 3.83Å; D723-R752 IonicContact OD1-NE 3.89Å; D723-R752 PolarHBondContact OD1-NE 3.07Å; D723-R752 IonicContact OD1-NH2 3.34Å; D723-R752 PolarHBondContact OD1-NH2 3.33Å; D723-R752 IonicContact OD2-CZ 3.56Å; D723-R752 IonicContact OD2-NE 3.15Å; D723-R752 IonicContact OD2-NH2 3.29Å; D723-R752 PolarHBondContact OD2-NH2 3.48Å
724	Y	94.8	Very high	96.2	Very high	169 Å²	169	38.8 Å²	38.8	66%	0.663	19%	0.189	S	C	*	.	I	π-helix	trans	-100.7	-23.2	-172.6	-61.3	-57.3	0	0	0	115.4	S720 I722	S720-Y724 WeakPolarHBondContact O-CB 3.49Å; S720-Y724 WeakPolarHBondContact O-CD2 3.35Å; S720-Y724 PolarHBondContact O-N 3.29Å; I722-Y724 VanDerWaalsContact C-N 3.31Å; I722-Y724 PolarHBondContact O-N 3.05Å
725	I	96.4	Very high	96.1	Very high	45 Å²	45	39.9 Å²	39.9	23%	0.231	20%	0.195	C	C	.	.	I	π-helix	trans	-122.9	-58.1	-173.1	-55	-63.6	0	0	0	111.2	H625 M626 L668 F721	H625-I725 VanDerWaalsContact CE1-CG2 3.46Å; H625-I725 WeakPolarHBondContact CE1-CG2 3.15Å; H625-I725 PolarHBondContact CE1-O 3.24Å; H625-I725 VanDerWaalsContact CE1-O 3.31Å; M626-I725 HydrophobicContact CE-CD1 4.07Å; L668-I725 HydrophobicContact CD1-CG2 4.19Å; F721-I725 HydrophobicContact CD2-CB 3.98Å; F721-I725 HydrophobicContact CD2-CG1 4.1Å; F721-I725 HydrophobicContact CD2-CG2 4.36Å; F721-I725 HydrophobicContact CE2-CB 4Å; F721-I725 HydrophobicContact CE2-CG1 4.36Å; F721-I725 HydrophobicContact CE2-CG2 3.87Å; F721-I725 WeakPolarHBondContact O-CB 3.34Å; F721-I725 PolarHBondContact O-N 3.47Å; F721-I725 VanDerWaalsContact O-N 3.07Å
726	V	98	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-78.7	-44.6	-166.7	-175.6	0	0	0	0	111.7	P671 F721 I722 L729 W730 L748	P671-V726 HydrophobicContact CB-CG1 4.15Å; P671-V726 HydrophobicContact CG-CG1 4.15Å; P671-V726 HydrophobicContact CG-CG2 4.17Å; F721-V726 HydrophobicContact CD1-CG2 3.65Å; F721-V726 HydrophobicContact CD2-CG2 4.29Å; F721-V726 HydrophobicContact CE1-CG2 3.34Å; F721-V726 HydrophobicContact CE2-CG2 4.02Å; F721-V726 HydrophobicContact CG-CG2 4.13Å; F721-V726 HydrophobicContact CZ-CG2 3.55Å; F721-V726 PolarHBondContact O-N 2.91Å; F721-V726 VanDerWaalsContact O-N 3.11Å; I722-V726 PolarHBondContact O-N 3.29Å; V726-L729 PolarHBondContact O-N 2.81Å; V726-W730 VanDerWaalsContact CG1-CD1 3.44Å; V726-W730 PolarHBondContact O-N 2.98Å; V726-L748 HydrophobicContact CG1-CD1 3.89Å; V726-L748 HydrophobicContact CG1-CD2 4.06Å
727	H	97.6	Very high	95.8	Very high	44 Å²	44	32.7 Å²	32.7	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-49.4	-179.8	-174.8	-67.8	0	0	0	112.6	I722 L729 W730 E731 L748 E749	I722-H727 HydrophobicContact CG2-CB 4Å; I722-H727 WeakPolarHBondContact O-CB 3.41Å; I722-H727 PolarHBondContact O-N 3.47Å; H727-L729 PolarHBondContact O-N 3.27Å; H727-W730 PolarHBondContact O-N 2.91Å; H727-E731 IonicContact ND1-OE2 2.65Å; H727-E731 WeakPolarHBondContact O-CB 3.46Å; H727-E731 PolarHBondContact O-N 2.81Å; H727-L748 HydrophobicContact CB-CD2 4.18Å; H727-E749 IonicContact NE2-OE1 3.38Å
728	P	97.1	Very high	95.5	Very high	27 Å²	27	39 Å²	39	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-35	177.4	-25.7	35.8	0	0	0	113.5	L629 T732	L629-P728 HydrophobicContact CD2-CB 4.03Å; P728-T732 WeakPolarHBondContact O-CB 3.49Å; P728-T732 PolarHBondContact O-N 3.17Å; P728-T732 PolarHBondContact O-OG1 3.15Å
729	L	97.1	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-54.3	176	176.8	63.2	0	0	0	111.5	L632 L668 V726 H727 E731 T732 W733	L632-L729 HydrophobicContact CD2-CD1 4.25Å; L668-L729 HydrophobicContact CB-CD2 4.24Å; L668-L729 HydrophobicContact CD1-CD2 3.82Å; V726-L729 PolarHBondContact O-N 2.81Å; H727-L729 PolarHBondContact O-N 3.27Å; L729-E731 PolarHBondContact O-N 3.17Å; L729-T732 PolarHBondContact O-N 3.19Å; L729-W733 WeakPolarHBondContact O-CB 3.37Å; L729-W733 PolarHBondContact O-N 2.94Å
730	W	98.1	Very high	95	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-32.6	-178.2	-82.7	100.8	0	0	0	113.4	W453 L524 C665 L668 V726 H727 W733 S734 I744 L745 L748	W453-W730 AromaticContact CH2-CH2 3.49Å; W453-W730 HydrophobicContact CH2-CH2 3.49Å; W453-W730 VanDerWaalsContact CH2-CH2 3.49Å; W453-W730 AromaticContact CH2-CZ2 3.88Å; W453-W730 HydrophobicContact CH2-CZ2 3.88Å; W453-W730 AromaticContact CZ2-CH2 3.72Å; W453-W730 HydrophobicContact CZ2-CH2 3.72Å; W453-W730 AromaticContact CZ2-CZ2 3.93Å; W453-W730 HydrophobicContact CZ2-CZ2 3.93Å; W453-W730 HydrophobicContact CZ3-CH2 4.37Å; L524-W730 HydrophobicContact CD1-CH2 4.25Å; L524-W730 HydrophobicContact CD2-CH2 4.01Å; L524-W730 HydrophobicContact CD2-CZ3 4.07Å; C665-W730 HydrophobicContact CB-CH2 4.19Å; C665-W730 HydrophobicContact CB-CZ2 4.04Å; C665-W730 VanDerWaalsContact O-CZ2 3.23Å; C665-W730 WeakPolarHBondContact O-CZ2 3.4Å; L668-W730 PolarHBondContact O-NE1 3.17Å; L668-W730 VanDerWaalsContact O-NE1 3.13Å; V726-W730 VanDerWaalsContact CG1-CD1 3.44Å; V726-W730 PolarHBondContact O-N 2.98Å; H727-W730 PolarHBondContact O-N 2.91Å; W730-W733 AromaticContact CE3-CD1 3.93Å; W730-W733 HydrophobicContact CE3-CG 4.47Å; W730-W733 AromaticContact CZ3-CD1 3.75Å; W730-W733 PolarHBondContact O-N 3.09Å; W730-S734 VanDerWaalsContact O-CB 3.23Å; W730-S734 WeakPolarHBondContact O-CB 3.31Å; W730-S734 PolarHBondContact O-N 3Å; W730-I744 HydrophobicContact CD2-CG2 4.1Å; W730-I744 HydrophobicContact CE3-CB 4.41Å; W730-I744 HydrophobicContact CE3-CG2 3.64Å; W730-I744 HydrophobicContact CH2-CD1 4.26Å; W730-I744 HydrophobicContact CH2-CG2 3.85Å; W730-I744 HydrophobicContact CZ2-CG2 4.27Å; W730-I744 HydrophobicContact CZ3-CB 4.25Å; W730-I744 HydrophobicContact CZ3-CD1 3.89Å; W730-I744 HydrophobicContact CZ3-CG2 3.52Å; W730-L745 HydrophobicContact CB-CD1 4.2Å; W730-L748 HydrophobicContact CB-CD2 3.89Å; W730-L748 HydrophobicContact CG-CD2 4.23Å
731	E	96.8	Very high	94.9	Very high	85 Å²	85	41.9 Å²	41.9	40%	0.397	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-49.5	170.9	-179.6	-175	-161.7	0	0	110.1	H727 L729 W733 S734 D735	H727-E731 IonicContact ND1-OE2 2.65Å; H727-E731 WeakPolarHBondContact O-CB 3.46Å; H727-E731 PolarHBondContact O-N 2.81Å; L729-E731 PolarHBondContact O-N 3.17Å; E731-W733 PolarHBondContact O-N 3.19Å; E731-S734 PolarHBondContact O-N 3.22Å; E731-D735 PolarHBondContact O-N 3.39Å
732	T	94.4	Very high	94.8	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-39	179.7	-50.2	0	0	0	0	111.4	L629 L632 K633 V636 P728 L729 D735 L736	L629-T732 HydrophobicContact CD1-CG2 4.42Å; L629-T732 WeakPolarHBondContact CD1-OG1 3.23Å; L632-T732 HydrophobicContact CB-CG2 4.11Å; L632-T732 HydrophobicContact CD2-CG2 3.79Å; L632-T732 HydrophobicContact CG-CG2 3.66Å; K633-T732 HydrophobicContact CB-CG2 4.29Å; K633-T732 WeakPolarHBondContact CE-OG1 3.36Å; K633-T732 HydrophobicContact CG-CG2 3.51Å; V636-T732 HydrophobicContact CG2-CG2 4.02Å; P728-T732 WeakPolarHBondContact O-CB 3.49Å; P728-T732 PolarHBondContact O-N 3.17Å; P728-T732 PolarHBondContact O-OG1 3.15Å; L729-T732 PolarHBondContact O-N 3.19Å; T732-D735 WeakPolarHBondContact O-CB 3.18Å; T732-D735 PolarHBondContact O-N 3.44Å; T732-L736 PolarHBondContact O-N 3.39Å; T732-L736 VanDerWaalsContact O-N 3.09Å
733	W	95.9	Very high	94.7	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-45	173.9	-179.4	-94.4	0	0	0	111.7	L524 L530 L632 I658 N661 M662 L729 W730 E731 D735 L736 V737	L524-W733 HydrophobicContact CB-CZ2 4.21Å; L524-W733 HydrophobicContact CD1-CZ2 4.36Å; L524-W733 HydrophobicContact CD2-CZ2 4.43Å; L530-W733 HydrophobicContact CD1-CH2 4.23Å; L530-W733 HydrophobicContact CD1-CZ2 4.21Å; L632-W733 HydrophobicContact CD1-CE3 4.44Å; L632-W733 HydrophobicContact CD2-CB 4.44Å; I658-W733 HydrophobicContact CG2-CH2 4.03Å; I658-W733 HydrophobicContact CG2-CZ3 4.02Å; N661-W733 HydrophobicContact CB-CZ3 4.39Å; M662-W733 HydrophobicContact CB-CH2 3.61Å; M662-W733 HydrophobicContact CB-CZ2 4.45Å; M662-W733 HydrophobicContact CB-CZ3 3.96Å; M662-W733 HydrophobicContact CE-CH2 3.72Å; M662-W733 HydrophobicContact CE-CZ2 4.18Å; M662-W733 HydrophobicContact CG-CH2 3.82Å; M662-W733 HydrophobicContact CG-CZ2 4.22Å; L729-W733 WeakPolarHBondContact O-CB 3.37Å; L729-W733 PolarHBondContact O-N 2.94Å; W730-W733 AromaticContact CE3-CD1 3.93Å; W730-W733 HydrophobicContact CE3-CG 4.47Å; W730-W733 AromaticContact CZ3-CD1 3.75Å; W730-W733 PolarHBondContact O-N 3.09Å; E731-W733 PolarHBondContact O-N 3.19Å; W733-D735 VanDerWaalsContact C-N 3.33Å; W733-D735 PolarHBondContact O-N 3.35Å; W733-L736 HydrophobicContact CE3-CD2 4.42Å; W733-L736 HydrophobicContact CZ3-CD2 4.35Å; W733-L736 WeakPolarHBondContact O-CA 3.11Å; W733-L736 WeakPolarHBondContact O-CB 3.44Å; W733-L736 PolarHBondContact O-N 3.08Å; W733-V737 HydrophobicContact CZ2-CG1 4.07Å; W733-V737 WeakPolarHBondContact O-CG2 3.29Å; W733-V737 PolarHBondContact O-N 3.33Å
734	S	94.9	Very high	94.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-43.5	176.8	-171.1	0	0	0	0	111.6	W730 E731 L736 V737 Y738	W730-S734 VanDerWaalsContact O-CB 3.23Å; W730-S734 WeakPolarHBondContact O-CB 3.31Å; W730-S734 PolarHBondContact O-N 3Å; E731-S734 PolarHBondContact O-N 3.22Å; S734-L736 VanDerWaalsContact C-N 3.28Å; S734-L736 PolarHBondContact O-N 3.39Å; S734-V737 CarbonylContact O-C 3.56Å; S734-V737 PolarHBondContact O-N 3.38Å; S734-Y738 VanDerWaalsContact O-CA 3.28Å; S734-Y738 WeakPolarHBondContact O-CA 3.45Å; S734-Y738 WeakPolarHBondContact O-CB 3.17Å; S734-Y738 PolarHBondContact O-N 3.42Å
735	D	92.1	Very high	94.9	Very high	70 Å²	70	35.8 Å²	35.8	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-58.5	-38.3	172.6	-99.2	12.5	0	0	0	112.9	V636 K640 E731 T732 W733	V636-D735 HydrophobicContact CG1-CB 3.84Å; V636-D735 HydrophobicContact CG2-CB 4.34Å; K640-D735 IonicContact NZ-OD2 3.67Å; K640-D735 PolarHBondContact NZ-OD2 3.01Å; E731-D735 PolarHBondContact O-N 3.39Å; T732-D735 WeakPolarHBondContact O-CB 3.18Å; T732-D735 PolarHBondContact O-N 3.44Å; W733-D735 VanDerWaalsContact C-N 3.33Å; W733-D735 PolarHBondContact O-N 3.35Å
736	L	90.3	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-43	178.3	-176.3	68.7	0	0	0	111.8	L632 M635 V636 K639 L647 I658 T732 W733 S734	L632-L736 HydrophobicContact CD1-CD2 3.66Å; M635-L736 HydrophobicContact CG-CD1 4.32Å; M635-L736 HydrophobicContact SD-CD1 4.39Å; V636-L736 HydrophobicContact CG2-CB 3.72Å; V636-L736 HydrophobicContact CG2-CD1 4.01Å; V636-L736 HydrophobicContact CG2-CG 4.46Å; K639-L736 HydrophobicContact CD-CD1 4.41Å; K639-L736 PolarHBondContact NZ-O 3.06Å; L647-L736 HydrophobicContact CD1-CD1 3.69Å; L647-L736 HydrophobicContact CD1-CD2 4.46Å; L647-L736 HydrophobicContact CD1-CG 3.87Å; L647-L736 HydrophobicContact CD2-CD1 3.83Å; L647-L736 HydrophobicContact CG-CD1 4.35Å; I658-L736 HydrophobicContact CD1-CD2 4.12Å; I658-L736 HydrophobicContact CG1-CD2 4.31Å; I658-L736 HydrophobicContact CG2-CD2 4.43Å; T732-L736 PolarHBondContact O-N 3.39Å; T732-L736 VanDerWaalsContact O-N 3.09Å; W733-L736 HydrophobicContact CE3-CD2 4.42Å; W733-L736 HydrophobicContact CZ3-CD2 4.35Å; W733-L736 WeakPolarHBondContact O-CA 3.11Å; W733-L736 WeakPolarHBondContact O-CB 3.44Å; W733-L736 PolarHBondContact O-N 3.08Å; S734-L736 VanDerWaalsContact C-N 3.28Å; S734-L736 PolarHBondContact O-N 3.39Å
737	V	92	Very high	95	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-107.5	13.7	-173	-54.7	0	0	0	0	114.5	A527 S529 L530 W733 S734 D740 A741	A527-V737 HydrophobicContact CB-CB 4.22Å; A527-V737 HydrophobicContact CB-CG1 4.44Å; S529-V737 WeakPolarHBondContact OG-CA 3.47Å; S529-V737 VanDerWaalsContact OG-CB 3.27Å; S529-V737 WeakPolarHBondContact OG-CB 3.38Å; L530-V737 HydrophobicContact CD1-CG1 4.03Å; L530-V737 HydrophobicContact CD2-CG1 4.45Å; L530-V737 HydrophobicContact CG-CG1 4.13Å; W733-V737 HydrophobicContact CZ2-CG1 4.07Å; W733-V737 WeakPolarHBondContact O-CG2 3.29Å; W733-V737 PolarHBondContact O-N 3.33Å; S734-V737 CarbonylContact O-C 3.56Å; S734-V737 PolarHBondContact O-N 3.38Å; V737-D740 PolarHBondContact O-N 3.45Å; V737-A741 HydrophobicContact CG2-CB 3.51Å
738	Y	89.6	Confident	95	Very high	151 Å²	151	37.6 Å²	37.6	59%	0.592	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	131.7	-177.5	-178.1	-88.7	0	0	0	111.6	S734	S734-Y738 VanDerWaalsContact O-CA 3.28Å; S734-Y738 WeakPolarHBondContact O-CA 3.45Å; S734-Y738 WeakPolarHBondContact O-CB 3.17Å; S734-Y738 PolarHBondContact O-N 3.42Å
739	P	91.3	Very high	95.1	Very high	73 Å²	73	40.7 Å²	40.7	47%	0.474	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.4	2.9	9	37.3	-35.8	0	0	0	116	A741 Q742	P739-A741 PolarHBondContact O-N 2.99Å; P739-Q742 WeakPolarHBondContact O-CB 3.45Å; P739-Q742 PolarHBondContact O-N 3.09Å
740	D	91	Very high	95.1	Very high	65 Å²	65	45.6 Å²	45.6	35%	0.348	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.3	-162.2	-64.9	-58.2	0	0	0	114.6	A527 Q528 V737	A527-D740 WeakPolarHBondContact CA-OD2 3.47Å; A527-D740 HydrophobicContact CB-CB 3.92Å; Q528-D740 PolarHBondContact N-OD2 3.47Å; V737-D740 PolarHBondContact O-N 3.45Å
741	A	94.2	Very high	95.1	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	7.2	-177.4	0	0	0	0	0	114.2	V737 P739 T743 I744 L745	V737-A741 HydrophobicContact CG2-CB 3.51Å; P739-A741 PolarHBondContact O-N 2.99Å; A741-T743 VanDerWaalsContact C-N 3.32Å; A741-T743 PolarHBondContact O-N 3.36Å; A741-I744 HydrophobicContact CB-CD1 4.3Å; A741-I744 WeakPolarHBondContact O-CB 3.42Å; A741-I744 PolarHBondContact O-N 3.16Å; A741-I744 VanDerWaalsContact O-N 3.13Å; A741-L745 PolarHBondContact O-N 3.07Å; A741-L745 VanDerWaalsContact O-N 3.14Å
742	Q	95	Very high	95.2	Very high	63 Å²	63	45.1 Å²	45.1	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-40.7	-178.7	-178	58.5	28.7	0	0	112.3	P739 I744 L745 E746	P739-Q742 WeakPolarHBondContact O-CB 3.45Å; P739-Q742 PolarHBondContact O-N 3.09Å; Q742-I744 VanDerWaalsContact C-N 3.27Å; Q742-I744 PolarHBondContact O-N 2.95Å; Q742-L745 PolarHBondContact O-N 3.46Å; Q742-E746 WeakPolarHBondContact CG-OE1 3.32Å; Q742-E746 PolarHBondContact NE2-OE1 3.23Å; Q742-E746 WeakPolarHBondContact O-CG 3.45Å; Q742-E746 PolarHBondContact O-N 3.36Å
743	T	96.1	Very high	95.3	Very high	88 Å²	88	49.9 Å²	49.9	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-30	177.6	55.8	0	0	0	0	113.1	A741 T747	A741-T743 VanDerWaalsContact C-N 3.32Å; A741-T743 PolarHBondContact O-N 3.36Å; T743-T747 PolarHBondContact O-N 2.95Å; T743-T747 VanDerWaalsContact O-N 3.07Å; T743-T747 PolarHBondContact O-OG1 2.95Å
744	I	97.8	Very high	95.4	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.046	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-42.9	175.5	-58.2	175.8	0	0	0	109.5	W453 L524 A672 W730 A741 Q742 T747 L748	W453-I744 HydrophobicContact CD2-CD1 3.75Å; W453-I744 HydrophobicContact CD2-CG1 4.03Å; W453-I744 HydrophobicContact CE3-CD1 3.95Å; W453-I744 HydrophobicContact CG-CD1 4.18Å; W453-I744 HydrophobicContact CG-CG1 4.02Å; W453-I744 HydrophobicContact CH2-CD1 4.39Å; W453-I744 HydrophobicContact CZ2-CD1 4.19Å; W453-I744 HydrophobicContact CZ2-CG2 3.92Å; W453-I744 HydrophobicContact CZ3-CD1 4.27Å; L524-I744 HydrophobicContact CD2-CD1 4.14Å; A672-I744 HydrophobicContact CB-CG2 3.48Å; A672-I744 VanDerWaalsContact CB-CG2 3.48Å; W730-I744 HydrophobicContact CD2-CG2 4.1Å; W730-I744 HydrophobicContact CE3-CB 4.41Å; W730-I744 HydrophobicContact CE3-CG2 3.64Å; W730-I744 HydrophobicContact CH2-CD1 4.26Å; W730-I744 HydrophobicContact CH2-CG2 3.85Å; W730-I744 HydrophobicContact CZ2-CG2 4.27Å; W730-I744 HydrophobicContact CZ3-CB 4.25Å; W730-I744 HydrophobicContact CZ3-CD1 3.89Å; W730-I744 HydrophobicContact CZ3-CG2 3.52Å; A741-I744 HydrophobicContact CB-CD1 4.3Å; A741-I744 WeakPolarHBondContact O-CB 3.42Å; A741-I744 PolarHBondContact O-N 3.16Å; A741-I744 VanDerWaalsContact O-N 3.13Å; Q742-I744 VanDerWaalsContact C-N 3.27Å; Q742-I744 PolarHBondContact O-N 2.95Å; I744-T747 PolarHBondContact O-N 3.23Å; I744-L748 PolarHBondContact O-N 2.82Å
745	L	97.1	Very high	95.5	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-42.4	177.2	-171.9	62.3	0	0	0	111.9	W730 A741 Q742 T747 L748 E749	W730-L745 HydrophobicContact CB-CD1 4.2Å; A741-L745 PolarHBondContact O-N 3.07Å; A741-L745 VanDerWaalsContact O-N 3.14Å; Q742-L745 PolarHBondContact O-N 3.46Å; L745-T747 PolarHBondContact O-N 2.98Å; L745-L748 HydrophobicContact CD1-CD2 4.26Å; L745-L748 WeakPolarHBondContact O-CB 3.42Å; L745-L748 PolarHBondContact O-N 3.2Å; L745-L748 VanDerWaalsContact O-N 3.16Å; L745-E749 WeakPolarHBondContact O-CG 3.44Å; L745-E749 PolarHBondContact O-N 3.48Å
746	E	97.8	Very high	95.7	Very high	89 Å²	89	55.2 Å²	55.2	42%	0.416	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-44.6	173.9	-72.1	166.4	-173.3	0	0	111.5	Q742 L748 E749 D750	Q742-E746 WeakPolarHBondContact CG-OE1 3.32Å; Q742-E746 PolarHBondContact NE2-OE1 3.23Å; Q742-E746 WeakPolarHBondContact O-CG 3.45Å; Q742-E746 PolarHBondContact O-N 3.36Å; E746-L748 VanDerWaalsContact C-N 3.29Å; E746-L748 PolarHBondContact O-N 2.79Å; E746-E749 PolarHBondContact O-N 2.97Å; E746-D750 PolarHBondContact O-N 2.99Å
747	T	98.1	Very high	95.9	Very high	39 Å²	39	58.3 Å²	58.3	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-38.1	175.9	-56.5	0	0	0	0	111.8	K673 T743 I744 L745 N751	K673-T747 WeakPolarHBondContact O-CG2 3.41Å; T743-T747 PolarHBondContact O-N 2.95Å; T743-T747 VanDerWaalsContact O-N 3.07Å; T743-T747 PolarHBondContact O-OG1 2.95Å; I744-T747 PolarHBondContact O-N 3.23Å; L745-T747 PolarHBondContact O-N 2.98Å; T747-N751 WeakPolarHBondContact O-CB 3.43Å; T747-N751 PolarHBondContact O-N 3.12Å; T747-N751 PolarHBondContact O-ND2 2.73Å
748	L	98.5	Very high	96	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-44.4	176.3	177.4	63.8	0	0	0	111.8	P671 A672 I722 V726 H727 W730 I744 L745 E746 N751 R752	P671-L748 HydrophobicContact CB-CD1 3.55Å; P671-L748 WeakPolarHBondContact O-CD1 3.33Å; A672-L748 HydrophobicContact CB-CB 3.99Å; A672-L748 HydrophobicContact CB-CD1 4.38Å; I722-L748 HydrophobicContact CD1-CD1 4.28Å; I722-L748 HydrophobicContact CG1-CD1 4.09Å; I722-L748 HydrophobicContact CG2-CD1 3.78Å; I722-L748 HydrophobicContact CG2-CD2 4.5Å; I722-L748 HydrophobicContact CG2-CG 4.06Å; V726-L748 HydrophobicContact CG1-CD1 3.89Å; V726-L748 HydrophobicContact CG1-CD2 4.06Å; H727-L748 HydrophobicContact CB-CD2 4.18Å; W730-L748 HydrophobicContact CB-CD2 3.89Å; W730-L748 HydrophobicContact CG-CD2 4.23Å; I744-L748 PolarHBondContact O-N 2.82Å; L745-L748 HydrophobicContact CD1-CD2 4.26Å; L745-L748 WeakPolarHBondContact O-CB 3.42Å; L745-L748 PolarHBondContact O-N 3.2Å; L745-L748 VanDerWaalsContact O-N 3.16Å; E746-L748 VanDerWaalsContact C-N 3.29Å; E746-L748 PolarHBondContact O-N 2.79Å; L748-N751 PolarHBondContact O-N 3.42Å; L748-R752 VanDerWaalsContact O-CB 3.32Å; L748-R752 WeakPolarHBondContact O-CB 3.32Å; L748-R752 PolarHBondContact O-N 3.34Å
749	E	98	Very high	96	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-46.8	176.5	-71.4	176.8	-173.6	0	0	111.4	H727 L745 E746 N751 R752 E753	H727-E749 IonicContact NE2-OE1 3.38Å; L745-E749 WeakPolarHBondContact O-CG 3.44Å; L745-E749 PolarHBondContact O-N 3.48Å; E746-E749 PolarHBondContact O-N 2.97Å; E749-N751 PolarHBondContact O-N 3.01Å; E749-R752 WeakPolarHBondContact O-CB 3.48Å; E749-R752 PolarHBondContact O-N 3.42Å; E749-E753 PolarHBondContact O-N 3.46Å
750	D	98.3	Very high	95.6	Very high	105 Å²	105	53.5 Å²	53.5	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-59.2	-46.2	176.8	-74.5	-17.3	0	0	0	111.7	E746 R752 E753 W754	E746-D750 PolarHBondContact O-N 2.99Å; D750-R752 VanDerWaalsContact C-N 3.34Å; D750-R752 PolarHBondContact O-N 2.83Å; D750-E753 PolarHBondContact O-N 3.41Å; D750-W754 PolarHBondContact O-N 3.41Å
751	N	98.4	Very high	95	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-37.8	178.2	-76.4	-19	0	0	0	112.3	P671 K673 L675 Y678 T747 L748 E749 W754 Y755	P671-N751 PolarHBondContact O-ND2 2.85Å; K673-N751 PolarHBondContact O-ND2 2.86Å; L675-N751 WeakPolarHBondContact CB-OD1 3.46Å; L675-N751 WeakPolarHBondContact CD1-OD1 3.3Å; Y678-N751 HydrophobicContact CD1-CB 3.84Å; Y678-N751 HydrophobicContact CE1-CB 4.03Å; T747-N751 WeakPolarHBondContact O-CB 3.43Å; T747-N751 PolarHBondContact O-N 3.12Å; T747-N751 PolarHBondContact O-ND2 2.73Å; L748-N751 PolarHBondContact O-N 3.42Å; E749-N751 PolarHBondContact O-N 3.01Å; N751-W754 PolarHBondContact O-N 3.27Å; N751-Y755 WeakPolarHBondContact O-CD2 3.4Å; N751-Y755 PolarHBondContact O-N 3.34Å; N751-Y755 VanDerWaalsContact O-N 3.09Å
752	R	98	Very high	94.1	Very high	68 Å²	68	58.2 Å²	58.2	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-45.2	175.3	-175.4	-90.9	-177.7	-146.4	-3.8	110.9	I722 D723 L748 E749 D750 W754 Y755 Y756	I722-R752 HydrophobicContact CB-CB 4.44Å; I722-R752 HydrophobicContact CB-CG 4.11Å; I722-R752 HydrophobicContact CD1-CB 3.78Å; I722-R752 HydrophobicContact CD1-CG 4.17Å; I722-R752 HydrophobicContact CG2-CB 3.91Å; I722-R752 HydrophobicContact CG2-CG 3.78Å; D723-R752 IonicContact OD1-CZ 3.83Å; D723-R752 IonicContact OD1-NE 3.89Å; D723-R752 PolarHBondContact OD1-NE 3.07Å; D723-R752 IonicContact OD1-NH2 3.34Å; D723-R752 PolarHBondContact OD1-NH2 3.33Å; D723-R752 IonicContact OD2-CZ 3.56Å; D723-R752 IonicContact OD2-NE 3.15Å; D723-R752 IonicContact OD2-NH2 3.29Å; D723-R752 PolarHBondContact OD2-NH2 3.48Å; L748-R752 VanDerWaalsContact O-CB 3.32Å; L748-R752 WeakPolarHBondContact O-CB 3.32Å; L748-R752 PolarHBondContact O-N 3.34Å; E749-R752 WeakPolarHBondContact O-CB 3.48Å; E749-R752 PolarHBondContact O-N 3.42Å; D750-R752 VanDerWaalsContact C-N 3.34Å; D750-R752 PolarHBondContact O-N 2.83Å; R752-W754 VanDerWaalsContact C-N 3.33Å; R752-Y755 PolarHBondContact O-N 3.47Å; R752-Y756 WeakPolarHBondContact O-CB 3.38Å; R752-Y756 PolarHBondContact O-N 2.78Å
753	E	97.5	Very high	92.9	Very high	109 Å²	109	58.7 Å²	58.7	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.6	-174.9	173.2	-173.4	0	0	111.3	E749 D750 Y755 Y756 N757	E749-E753 PolarHBondContact O-N 3.46Å; D750-E753 PolarHBondContact O-N 3.41Å; E753-Y755 PolarHBondContact O-N 2.79Å; E753-Y756 PolarHBondContact O-N 3.2Å; E753-N757 VanDerWaalsContact O-CG 3.31Å; E753-N757 PolarHBondContact O-N 3.07Å; E753-N757 PolarHBondContact O-ND2 3.19Å
754	W	97.8	Very high	91.4	Very high	69 Å²	69	59.4 Å²	59.4	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-52.5	175.9	-174.1	87	0	0	0	112	L675 R679 D750 N751 R752 Y756 N757 Q758	L675-W754 HydrophobicContact CD1-CB 4.38Å; L675-W754 HydrophobicContact CD1-CD2 3.79Å; L675-W754 HydrophobicContact CD1-CE3 3.77Å; L675-W754 HydrophobicContact CD1-CG 4.05Å; L675-W754 HydrophobicContact CD1-CZ3 4.39Å; L675-W754 HydrophobicContact CD2-CB 4.45Å; L675-W754 HydrophobicContact CD2-CD2 3.82Å; L675-W754 HydrophobicContact CD2-CG 3.7Å; L675-W754 HydrophobicContact CG-CD2 4.4Å; R679-W754 HydrophobicContact CG-CH2 4.27Å; R679-W754 HydrophobicContact CG-CZ3 4.19Å; D750-W754 PolarHBondContact O-N 3.41Å; N751-W754 PolarHBondContact O-N 3.27Å; R752-W754 VanDerWaalsContact C-N 3.33Å; W754-Y756 VanDerWaalsContact C-N 3.32Å; W754-Y756 PolarHBondContact O-N 2.91Å; W754-N757 PolarHBondContact O-N 3.33Å; W754-Q758 HydrophobicContact CD2-CG 4.11Å; W754-Q758 HydrophobicContact CE3-CG 4Å; W754-Q758 HydrophobicContact CH2-CG 3.7Å; W754-Q758 HydrophobicContact CZ2-CG 3.82Å; W754-Q758 HydrophobicContact CZ3-CG 3.8Å; W754-Q758 WeakPolarHBondContact O-CG 3.42Å; W754-Q758 PolarHBondContact O-N 3.31Å; W754-Q758 VanDerWaalsContact O-N 3.07Å
755	Y	96.8	Very high	89.7	Confident	9 Å²	9	64 Å²	64	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-36.5	177.2	-87	-73.1	0	0	0	112.7	Y678 T682 E715 Q718 N751 R752 E753 N757 Q758 I759	Y678-Y755 HydrophobicContact CD1-CD2 4.35Å; Y678-Y755 AromaticContact CD1-CE2 3.69Å; Y678-Y755 HydrophobicContact CD1-CE2 3.69Å; Y678-Y755 AromaticContact CE1-CD2 3.65Å; Y678-Y755 HydrophobicContact CE1-CD2 3.65Å; Y678-Y755 AromaticContact CE1-CE2 3.23Å; Y678-Y755 HydrophobicContact CE1-CE2 3.23Å; Y678-Y755 AromaticContact CZ-CE2 3.69Å; T682-Y755 VanDerWaalsContact CB-OH 3.26Å; T682-Y755 WeakPolarHBondContact CB-OH 3.34Å; T682-Y755 WeakPolarHBondContact CG2-OH 3.44Å; T682-Y755 PolarHBondContact OG1-OH 3.43Å; E715-Y755 HydrophobicContact CB-CD1 4.07Å; E715-Y755 HydrophobicContact CG-CD1 4.04Å; Q718-Y755 HydrophobicContact CB-CD1 4Å; Q718-Y755 HydrophobicContact CB-CD2 4.11Å; Q718-Y755 HydrophobicContact CB-CE1 4.23Å; Q718-Y755 HydrophobicContact CB-CE2 4.35Å; Q718-Y755 HydrophobicContact CB-CG 3.92Å; Q718-Y755 HydrophobicContact CG-CD1 4.06Å; Q718-Y755 HydrophobicContact CG-CD2 4.45Å; Q718-Y755 HydrophobicContact CG-CE1 3.78Å; Q718-Y755 HydrophobicContact CG-CE2 4.21Å; Q718-Y755 HydrophobicContact CG-CG 4.38Å; N751-Y755 WeakPolarHBondContact O-CD2 3.4Å; N751-Y755 PolarHBondContact O-N 3.34Å; N751-Y755 VanDerWaalsContact O-N 3.09Å; R752-Y755 PolarHBondContact O-N 3.47Å; E753-Y755 PolarHBondContact O-N 2.79Å; Y755-N757 VanDerWaalsContact C-N 3.33Å; Y755-N757 PolarHBondContact O-N 3.34Å; Y755-Q758 PolarHBondContact O-N 3.27Å; Y755-I759 WeakPolarHBondContact O-CG1 3.44Å; Y755-I759 PolarHBondContact O-N 2.9Å
756	Y	95.8	Very high	87.8	Confident	106 Å²	106	67.7 Å²	67.7	42%	0.416	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-40.9	174.6	-178.2	-96.4	0	0	0	112.1	R752 E753 W754 I759 N760	R752-Y756 WeakPolarHBondContact O-CB 3.38Å; R752-Y756 PolarHBondContact O-N 2.78Å; E753-Y756 PolarHBondContact O-N 3.2Å; W754-Y756 VanDerWaalsContact C-N 3.32Å; W754-Y756 PolarHBondContact O-N 2.91Å; Y756-I759 WeakPolarHBondContact O-CB 3.46Å; Y756-I759 PolarHBondContact O-N 3.21Å; Y756-N760 WeakPolarHBondContact CE1-ND2 3.48Å
757	N	95.4	Very high	85.8	Confident	66 Å²	66	68.2 Å²	68.2	35%	0.353	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-37.2	177.3	-70.3	-25.5	0	0	0	112.1	E753 W754 Y755 I759 N760 E761	E753-N757 VanDerWaalsContact O-CG 3.31Å; E753-N757 PolarHBondContact O-N 3.07Å; E753-N757 PolarHBondContact O-ND2 3.19Å; W754-N757 PolarHBondContact O-N 3.33Å; Y755-N757 VanDerWaalsContact C-N 3.33Å; Y755-N757 PolarHBondContact O-N 3.34Å; N757-I759 VanDerWaalsContact C-N 3.28Å; N757-I759 PolarHBondContact O-N 3.33Å; N757-N760 PolarHBondContact O-N 2.78Å; N757-E761 PolarHBondContact O-N 2.81Å
758	Q	92.6	Very high	83.7	Confident	44 Å²	44	69.2 Å²	69.2	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-33.2	174.6	-65.2	-58	-83.4	0	0	113	E715 W754 Y755 N760 E761 N762	E715-Q758 HydrophobicContact CG-CB 3.83Å; W754-Q758 HydrophobicContact CD2-CG 4.11Å; W754-Q758 HydrophobicContact CE3-CG 4Å; W754-Q758 HydrophobicContact CH2-CG 3.7Å; W754-Q758 HydrophobicContact CZ2-CG 3.82Å; W754-Q758 HydrophobicContact CZ3-CG 3.8Å; W754-Q758 WeakPolarHBondContact O-CG 3.42Å; W754-Q758 PolarHBondContact O-N 3.31Å; W754-Q758 VanDerWaalsContact O-N 3.07Å; Y755-Q758 PolarHBondContact O-N 3.27Å; Q758-N760 VanDerWaalsContact C-N 3.29Å; Q758-N760 PolarHBondContact O-N 3.43Å; Q758-E761 PolarHBondContact NE2-OE2 3.47Å; Q758-N762 WeakPolarHBondContact O-CB 3.42Å; Q758-N762 PolarHBondContact O-N 3.11Å; Q758-N762 VanDerWaalsContact O-N 3.11Å; Q758-N762 PolarHBondContact O-ND2 3.39Å
759	I	89.7	Confident	81.5	Confident	20 Å²	20	76.3 Å²	76.3	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-41.3	173.4	-61.3	163.9	0	0	0	110.7	E715 K716 V719 Y755 Y756 N757 N763	E715-I759 HydrophobicContact CB-CD1 4.24Å; E715-I759 HydrophobicContact CB-CG1 3.47Å; E715-I759 VanDerWaalsContact CB-CG1 3.47Å; K716-I759 HydrophobicContact CB-CD1 4.37Å; K716-I759 HydrophobicContact CG-CD1 3.75Å; K716-I759 HydrophobicContact CG-CG1 4.05Å; K716-I759 HydrophobicContact CG-CG2 4.23Å; V719-I759 HydrophobicContact CB-CD1 4.47Å; V719-I759 HydrophobicContact CG2-CD1 3.89Å; Y755-I759 WeakPolarHBondContact O-CG1 3.44Å; Y755-I759 PolarHBondContact O-N 2.9Å; Y756-I759 WeakPolarHBondContact O-CB 3.46Å; Y756-I759 PolarHBondContact O-N 3.21Å; N757-I759 VanDerWaalsContact C-N 3.28Å; N757-I759 PolarHBondContact O-N 3.33Å; I759-N763 VanDerWaalsContact O-CG 3.23Å; I759-N763 PolarHBondContact O-N 2.93Å; I759-N763 PolarHBondContact O-ND2 3.22Å; I759-N763 VanDerWaalsContact O-ND2 3.07Å
760	N	82.7	Confident	79.3	Confident	61 Å²	61	78.1 Å²	78.1	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-74.3	-38.2	-176.8	-65.2	-31.7	0	0	0	112.1	Y756 N757 Q758 N763 N764	Y756-N760 WeakPolarHBondContact CE1-ND2 3.48Å; N757-N760 PolarHBondContact O-N 2.78Å; Q758-N760 VanDerWaalsContact C-N 3.29Å; Q758-N760 PolarHBondContact O-N 3.43Å; N760-N763 PolarHBondContact O-N 3.04Å; N760-N764 VanDerWaalsContact O-CG 3.28Å; N760-N764 PolarHBondContact O-N 3.24Å; N760-N764 PolarHBondContact O-ND2 2.89Å
761	E	80.4	Confident	77.1	Confident	102 Å²	102	80.4 Å²	80.4	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-49.1	174.3	-71.2	177.2	177.9	0	0	110.9	N757 Q758 N763 N764 D765	N757-E761 PolarHBondContact O-N 2.81Å; Q758-E761 PolarHBondContact NE2-OE2 3.47Å; E761-N763 VanDerWaalsContact C-N 3.26Å; E761-N763 PolarHBondContact O-N 3.04Å; E761-N764 PolarHBondContact O-N 3.24Å; E761-D765 PolarHBondContact O-N 3.34Å
762	N	73.7	Confident	74.2	Confident	64 Å²	64	91.3 Å²	91.3	34%	0.342	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-31.7	177.4	-71.1	-17.7	0	0	0	113.1	Q758 N766	Q758-N762 WeakPolarHBondContact O-CB 3.42Å; Q758-N762 PolarHBondContact O-N 3.11Å; Q758-N762 VanDerWaalsContact O-N 3.11Å; Q758-N762 PolarHBondContact O-ND2 3.39Å; N762-N766 PolarHBondContact O-N 3.07Å; N762-N766 PolarHBondContact O-ND2 3.25Å
763	N	71	Confident	73	Confident	74 Å²	74	92.5 Å²	92.5	40%	0.396	47%	0.468	S	S	.	.	H	α-helix	trans	-74.2	-33	175	-71.2	-30.8	0	0	0	112.5	I759 N760 E761 N767	I759-N763 VanDerWaalsContact O-CG 3.23Å; I759-N763 PolarHBondContact O-N 2.93Å; I759-N763 PolarHBondContact O-ND2 3.22Å; I759-N763 VanDerWaalsContact O-ND2 3.07Å; N760-N763 PolarHBondContact O-N 3.04Å; E761-N763 VanDerWaalsContact C-N 3.26Å; E761-N763 PolarHBondContact O-N 3.04Å; N763-N767 PolarHBondContact O-N 3.05Å; N763-N767 PolarHBondContact O-ND2 3.14Å; N763-N767 VanDerWaalsContact O-ND2 3.14Å
764	N	64.5	Low	71.7	Confident	103 Å²	103	91.6 Å²	91.6	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-72.6	-38.9	178.7	-71.9	-24.7	0	0	0	111.7	N760 E761 N767 A768	N760-N764 VanDerWaalsContact O-CG 3.28Å; N760-N764 PolarHBondContact O-N 3.24Å; N760-N764 PolarHBondContact O-ND2 2.89Å; E761-N764 PolarHBondContact O-N 3.24Å; N764-N767 PolarHBondContact O-N 3.35Å; N764-A768 PolarHBondContact O-N 3.41Å
765	D	61.2	Low	70.2	Confident	104 Å²	104	92.9 Å²	92.9	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-65.5	-40.4	177	-71.1	-13.6	0	0	0	111.5	E761 N767 A768 E769	E761-D765 PolarHBondContact O-N 3.34Å; D765-N767 VanDerWaalsContact C-N 3.28Å; D765-N767 PolarHBondContact O-N 3.05Å; D765-A768 PolarHBondContact O-N 3.3Å; D765-E769 PolarHBondContact O-N 3.06Å
766	N	56.6	Low	68.7	Low	92 Å²	92	97.8 Å²	97.8	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-26.6	174.6	-76.1	-51.1	0	0	0	113.6	N762 N770	N762-N766 PolarHBondContact O-N 3.07Å; N762-N766 PolarHBondContact O-ND2 3.25Å; N766-N770 PolarHBondContact O-ND2 3.35Å
767	N	56	Low	67	Low	100 Å²	100	97.3 Å²	97.3	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-80.6	-33.8	174.2	-72.7	-30.9	0	0	0	111.7	N763 N764 D765 N770 D771	N763-N767 PolarHBondContact O-N 3.05Å; N763-N767 PolarHBondContact O-ND2 3.14Å; N763-N767 VanDerWaalsContact O-ND2 3.14Å; N764-N767 PolarHBondContact O-N 3.35Å; D765-N767 VanDerWaalsContact C-N 3.28Å; D765-N767 PolarHBondContact O-N 3.05Å; N767-N770 PolarHBondContact O-N 3.36Å; N767-D771 PolarHBondContact O-N 2.96Å
768	A	54.9	Low	65.1	Low	60 Å²	60	99.4 Å²	99.4	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-37	176	0	0	0	0	0	112.4	N764 D765 N770 D771	N764-A768 PolarHBondContact O-N 3.41Å; D765-A768 PolarHBondContact O-N 3.3Å; A768-N770 VanDerWaalsContact C-N 3.3Å; A768-N770 PolarHBondContact O-N 3.44Å; A768-D771 PolarHBondContact O-N 3.21Å
769	E	52.9	Low	63.1	Low	149 Å²	149	103.4 Å²	103.4	70%	0.696	54%	0.541	S	S	*	.	H	α-helix	trans	-73.4	-16.2	175.9	-73.1	-170.7	167.8	0	0	114.1	D765	D765-E769 PolarHBondContact O-N 3.06Å
770	N	52.2	Low	61.1	Low	129 Å²	129	109.8 Å²	109.8	69%	0.69	58%	0.575	S	S	*	*	H	α-helix	trans	-92.9	-11	175	-77.5	-54.3	0	0	0	113.5	N766 N767 A768	N766-N770 PolarHBondContact O-ND2 3.35Å; N767-N770 PolarHBondContact O-N 3.36Å; A768-N770 VanDerWaalsContact C-N 3.3Å; A768-N770 PolarHBondContact O-N 3.44Å
771	D	50.4	Low	59.3	Low	153 Å²	153	113.8 Å²	113.8	82%	0.818	60%	0.596	S	S	*	*	H	α-helix	trans	-97.4	-8.5	175.8	-83.3	-19	0	0	0	113.2	N767 A768	N767-D771 PolarHBondContact O-N 2.96Å; A768-D771 PolarHBondContact O-N 3.21Å
772	E	37.8	Very low	57.4	Low	236 Å²	236	114.9 Å²	114.9	100%	1.103	61%	0.607	S	S	*	*			trans	-91	0	164.9	-75.4	-165.1	164.2	0	0	112.2

Retrieved 772 of 772 residues in 312.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).